NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
630810 | 6efe | 30508 | cing | 4-filtered-FRED | STAR | entry | full | 295 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6efe # This FRED archive file contains, for PDB entry <6efe>: # # - 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_6efe _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6efe _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2875.37 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $Kappa_conotoxin_vil14a A . 1 1 stop_ save_ save_Kappa_conotoxin_vil14a _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Kappa conotoxin vil14a" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GGLGRCIYNCMNSGGGLSFIQCKTMCY _Entity.Number_of_monomers 27 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 GLY . 1 1 3 LEU . 1 1 4 GLY . 1 1 5 ARG . 1 1 6 CYS . 1 1 7 ILE . 1 1 8 TYR . 1 1 9 ASN . 1 1 10 CYS . 1 1 11 MET . 1 1 12 ASN . 1 1 13 SER . 1 1 14 GLY . 1 1 15 GLY . 1 1 16 GLY . 1 1 17 LEU . 1 1 18 SER . 1 1 19 PHE . 1 1 20 ILE . 1 1 21 GLN . 1 1 22 CYS . 1 1 23 LYS . 1 1 24 THR . 1 1 25 MET . 1 1 26 CYS . 1 1 27 TYR . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 GLY 2 2 1 1 LEU 3 3 1 1 GLY 4 4 1 1 ARG 5 5 1 1 CYS 6 6 1 1 ILE 7 7 1 1 TYR 8 8 1 1 ASN 9 9 1 1 CYS 10 10 1 1 MET 11 11 1 1 ASN 12 12 1 1 SER 13 13 1 1 GLY 14 14 1 1 GLY 15 15 1 1 GLY 16 16 1 1 LEU 17 17 1 1 SER 18 18 1 1 PHE 19 19 1 1 ILE 20 20 1 1 GLN 21 21 1 1 CYS 22 22 1 1 LYS 23 23 1 1 THR 24 24 1 1 MET 25 25 1 1 CYS 26 26 1 1 TYR 27 27 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY QA . 1 . HA# 1 1 1 1 2 1 1 2 GLY H . 2 . HN 1 1 2 1 1 1 1 2 GLY H . 2 . HN 1 1 2 1 2 1 1 2 GLY QA . 2 . HA# 1 1 3 1 1 1 1 2 GLY H . 2 . HN 1 1 3 1 2 1 1 3 LEU HG . 3 . HG 1 1 4 1 1 1 1 2 GLY H . 2 . HN 1 1 4 1 2 1 1 4 GLY H . 4 . HN 1 1 5 1 1 1 1 2 GLY QA . 2 . HA# 1 1 5 1 2 1 1 3 LEU H . 3 . HN 1 1 6 1 1 1 1 3 LEU H . 3 . HN 1 1 6 1 2 1 1 3 LEU HA . 3 . HA 1 1 7 1 1 1 1 3 LEU H . 3 . HN 1 1 7 1 2 1 1 3 LEU QB . 3 . HB# 1 1 8 1 1 1 1 3 LEU H . 3 . HN 1 1 8 1 2 1 1 3 LEU QD . 3 . HD# 1 1 9 1 1 1 1 3 LEU HA . 3 . HA 1 1 9 1 2 1 1 3 LEU QB . 3 . HB# 1 1 10 1 1 1 1 3 LEU HA . 3 . HA 1 1 10 1 2 1 1 3 LEU QD . 3 . HD# 1 1 11 1 1 1 1 3 LEU HA . 3 . HA 1 1 11 1 2 1 1 4 GLY H . 4 . HN 1 1 12 1 1 1 1 3 LEU HA . 3 . HA 1 1 12 1 2 1 1 5 ARG H . 5 . HN 1 1 13 1 1 1 1 3 LEU HA . 3 . HA 1 1 13 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1 14 1 1 1 1 3 LEU QB . 3 . HB# 1 1 14 1 2 1 1 3 LEU QD . 3 . HD# 1 1 15 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 15 1 2 1 1 4 GLY H . 4 . HN 1 1 16 1 1 1 1 3 LEU QD . 3 . HD# 1 1 16 1 2 1 1 7 ILE QG . 7 . HG1# 1 1 17 1 1 1 1 3 LEU QD . 3 . HD# 1 1 17 1 2 1 1 26 CYS QB . 26 . HB# 1 1 18 1 1 1 1 3 LEU QD . 3 . HD# 1 1 18 1 2 1 1 27 TYR QB . 27 . HB# 1 1 19 1 1 1 1 4 GLY H . 4 . HN 1 1 19 1 2 1 1 4 GLY HA2 . 4 . HA2 1 1 20 1 1 1 1 4 GLY H . 4 . HN 1 1 20 1 2 1 1 4 GLY HA3 . 4 . HA1 1 1 21 1 1 1 1 4 GLY H . 4 . HN 1 1 21 1 2 1 1 5 ARG H . 5 . HN 1 1 22 1 1 1 1 4 GLY QA . 4 . HA# 1 1 22 1 2 1 1 6 CYS H . 6 . HN 1 1 23 1 1 1 1 4 GLY HA2 . 4 . HA2 1 1 23 1 2 1 1 5 ARG H . 5 . HN 1 1 24 1 1 1 1 4 GLY HA3 . 4 . HA1 1 1 24 1 2 1 1 5 ARG H . 5 . HN 1 1 25 1 1 1 1 5 ARG H . 5 . HN 1 1 25 1 2 1 1 5 ARG QB . 5 . HB# 1 1 26 1 1 1 1 5 ARG H . 5 . HN 1 1 26 1 2 1 1 5 ARG QD . 5 . HD# 1 1 27 1 1 1 1 5 ARG H . 5 . HN 1 1 27 1 2 1 1 5 ARG QG . 5 . HG# 1 1 28 1 1 1 1 5 ARG H . 5 . HN 1 1 28 1 2 1 1 6 CYS H . 6 . HN 1 1 29 1 1 1 1 5 ARG HA . 5 . HA 1 1 29 1 2 1 1 5 ARG QB . 5 . HB# 1 1 30 1 1 1 1 5 ARG HA . 5 . HA 1 1 30 1 2 1 1 5 ARG QD . 5 . HD# 1 1 31 1 1 1 1 5 ARG HA . 5 . HA 1 1 31 1 2 1 1 5 ARG QG . 5 . HG# 1 1 32 1 1 1 1 5 ARG HA . 5 . HA 1 1 32 1 2 1 1 6 CYS H . 6 . HN 1 1 33 1 1 1 1 5 ARG HA . 5 . HA 1 1 33 1 2 1 1 8 TYR QB . 8 . HB# 1 1 34 1 1 1 1 5 ARG HA . 5 . HA 1 1 34 1 2 1 1 9 ASN H . 9 . HN 1 1 35 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 35 1 2 1 1 6 CYS H . 6 . HN 1 1 36 1 1 1 1 5 ARG QH . 5 . HH# 1 1 36 1 2 1 1 8 TYR HA . 8 . HA 1 1 37 1 1 1 1 5 ARG QH . 5 . HH# 1 1 37 1 2 1 1 8 TYR HB3 . 8 . HB1 1 1 38 1 1 1 1 6 CYS H . 6 . HN 1 1 38 1 2 1 1 6 CYS HA . 6 . HA 1 1 39 1 1 1 1 6 CYS H . 6 . HN 1 1 39 1 2 1 1 6 CYS HB2 . 6 . HB2 1 1 40 1 1 1 1 6 CYS H . 6 . HN 1 1 40 1 2 1 1 6 CYS HB3 . 6 . HB1 1 1 41 1 1 1 1 6 CYS H . 6 . HN 1 1 41 1 2 1 1 7 ILE H . 7 . HN 1 1 42 1 1 1 1 6 CYS HA . 6 . HA 1 1 42 1 2 1 1 7 ILE H . 7 . HN 1 1 43 1 1 1 1 6 CYS QB . 6 . HB# 1 1 43 1 2 1 1 7 ILE QG . 7 . HG1# 1 1 44 1 1 1 1 6 CYS HB2 . 6 . HB2 1 1 44 1 2 1 1 7 ILE H . 7 . HN 1 1 45 1 1 1 1 6 CYS HB3 . 6 . HB1 1 1 45 1 2 1 1 7 ILE H . 7 . HN 1 1 46 1 1 1 1 7 ILE H . 7 . HN 1 1 46 1 2 1 1 7 ILE HA . 7 . HA 1 1 47 1 1 1 1 7 ILE H . 7 . HN 1 1 47 1 2 1 1 7 ILE HB . 7 . HB 1 1 48 1 1 1 1 7 ILE H . 7 . HN 1 1 48 1 2 1 1 7 ILE MD . 7 . HD# 1 1 49 1 1 1 1 7 ILE H . 7 . HN 1 1 49 1 2 1 1 7 ILE HG12 . 7 . HG12 1 1 50 1 1 1 1 7 ILE H . 7 . HN 1 1 50 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1 51 1 1 1 1 7 ILE H . 7 . HN 1 1 51 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 52 1 1 1 1 7 ILE H . 7 . HN 1 1 52 1 2 1 1 8 TYR H . 8 . HN 1 1 53 1 1 1 1 7 ILE HA . 7 . HA 1 1 53 1 2 1 1 7 ILE HB . 7 . HB 1 1 54 1 1 1 1 7 ILE HA . 7 . HA 1 1 54 1 2 1 1 7 ILE MD . 7 . HD# 1 1 55 1 1 1 1 7 ILE HA . 7 . HA 1 1 55 1 2 1 1 7 ILE HG12 . 7 . HG12 1 1 56 1 1 1 1 7 ILE HA . 7 . HA 1 1 56 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1 57 1 1 1 1 7 ILE HA . 7 . HA 1 1 57 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 58 1 1 1 1 7 ILE HA . 7 . HA 1 1 58 1 2 1 1 8 TYR H . 8 . HN 1 1 59 1 1 1 1 7 ILE HA . 7 . HA 1 1 59 1 2 1 1 10 CYS H . 10 . HN 1 1 60 1 1 1 1 7 ILE HA . 7 . HA 1 1 60 1 2 1 1 11 MET H . 11 . HN 1 1 61 1 1 1 1 7 ILE HA . 7 . HA 1 1 61 1 2 1 1 22 CYS QB . 22 . HB# 1 1 62 1 1 1 1 7 ILE HB . 7 . HB 1 1 62 1 2 1 1 7 ILE MD . 7 . HD# 1 1 63 1 1 1 1 7 ILE HB . 7 . HB 1 1 63 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1 64 1 1 1 1 7 ILE HB . 7 . HB 1 1 64 1 2 1 1 8 TYR H . 8 . HN 1 1 65 1 1 1 1 7 ILE MD . 7 . HD# 1 1 65 1 2 1 1 23 LYS HA . 23 . HA 1 1 66 1 1 1 1 7 ILE HG12 . 7 . HG12 1 1 66 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 67 1 1 1 1 7 ILE HG12 . 7 . HG12 1 1 67 1 2 1 1 8 TYR H . 8 . HN 1 1 68 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 68 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 69 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 69 1 2 1 1 8 TYR H . 8 . HN 1 1 70 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 70 1 2 1 1 11 MET HG2 . 11 . HG2 1 1 71 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 71 1 2 1 1 11 MET HG3 . 11 . HG1 1 1 72 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 72 1 2 1 1 19 PHE QD . 19 . HD# 1 1 73 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 73 1 2 1 1 19 PHE QE . 19 . HE# 1 1 74 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 74 1 2 1 1 22 CYS HB2 . 22 . HB2 1 1 75 1 1 1 1 7 ILE HG13 . 7 . HG11 1 1 75 1 2 1 1 22 CYS HB3 . 22 . HB1 1 1 76 1 1 1 1 7 ILE MG . 7 . HG2# 1 1 76 1 2 1 1 19 PHE QD . 19 . HD# 1 1 77 1 1 1 1 7 ILE MG . 7 . HG2# 1 1 77 1 2 1 1 19 PHE QE . 19 . HE# 1 1 78 1 1 1 1 7 ILE MG . 7 . HG2# 1 1 78 1 2 1 1 22 CYS QB . 22 . HB# 1 1 79 1 1 1 1 7 ILE MG . 7 . HG2# 1 1 79 1 2 1 1 23 LYS HA . 23 . HA 1 1 80 1 1 1 1 7 ILE MG . 7 . HG2# 1 1 80 1 2 1 1 23 LYS QE . 23 . HE# 1 1 81 1 1 1 1 8 TYR H . 8 . HN 1 1 81 1 2 1 1 8 TYR HA . 8 . HA 1 1 82 1 1 1 1 8 TYR H . 8 . HN 1 1 82 1 2 1 1 8 TYR HB2 . 8 . HB2 1 1 83 1 1 1 1 8 TYR H . 8 . HN 1 1 83 1 2 1 1 8 TYR HB3 . 8 . HB1 1 1 84 1 1 1 1 8 TYR H . 8 . HN 1 1 84 1 2 1 1 8 TYR QD . 8 . HD# 1 1 85 1 1 1 1 8 TYR H . 8 . HN 1 1 85 1 2 1 1 9 ASN H . 9 . HN 1 1 86 1 1 1 1 8 TYR H . 8 . HN 1 1 86 1 2 1 1 9 ASN QB . 9 . HB# 1 1 87 1 1 1 1 8 TYR H . 8 . HN 1 1 87 1 2 1 1 11 MET H . 11 . HN 1 1 88 1 1 1 1 8 TYR HA . 8 . HA 1 1 88 1 2 1 1 8 TYR QD . 8 . HD# 1 1 89 1 1 1 1 8 TYR HA . 8 . HA 1 1 89 1 2 1 1 8 TYR QE . 8 . HE# 1 1 90 1 1 1 1 8 TYR HA . 8 . HA 1 1 90 1 2 1 1 9 ASN H . 9 . HN 1 1 91 1 1 1 1 8 TYR HA . 8 . HA 1 1 91 1 2 1 1 12 ASN H . 12 . HN 1 1 92 1 1 1 1 8 TYR HB2 . 8 . HB2 1 1 92 1 2 1 1 8 TYR QD . 8 . HD# 1 1 93 1 1 1 1 8 TYR HB2 . 8 . HB2 1 1 93 1 2 1 1 9 ASN H . 9 . HN 1 1 94 1 1 1 1 8 TYR HB3 . 8 . HB1 1 1 94 1 2 1 1 8 TYR QD . 8 . HD# 1 1 95 1 1 1 1 8 TYR HB3 . 8 . HB1 1 1 95 1 2 1 1 9 ASN H . 9 . HN 1 1 96 1 1 1 1 8 TYR QD . 8 . HD# 1 1 96 1 2 1 1 9 ASN H . 9 . HN 1 1 97 1 1 1 1 8 TYR QD . 8 . HD# 1 1 97 1 2 1 1 9 ASN HA . 9 . HA 1 1 98 1 1 1 1 8 TYR QD . 8 . HD# 1 1 98 1 2 1 1 9 ASN HB2 . 9 . HB2 1 1 99 1 1 1 1 8 TYR QD . 8 . HD# 1 1 99 1 2 1 1 9 ASN HB3 . 9 . HB1 1 1 100 1 1 1 1 8 TYR QE . 8 . HE# 1 1 100 1 2 1 1 9 ASN HA . 9 . HA 1 1 101 1 1 1 1 9 ASN H . 9 . HN 1 1 101 1 2 1 1 9 ASN HA . 9 . HA 1 1 102 1 1 1 1 9 ASN H . 9 . HN 1 1 102 1 2 1 1 9 ASN HB2 . 9 . HB2 1 1 103 1 1 1 1 9 ASN H . 9 . HN 1 1 103 1 2 1 1 9 ASN HB3 . 9 . HB1 1 1 104 1 1 1 1 9 ASN H . 9 . HN 1 1 104 1 2 1 1 9 ASN HD21 . 9 . HD21 1 1 105 1 1 1 1 9 ASN H . 9 . HN 1 1 105 1 2 1 1 9 ASN HD22 . 9 . HD22 1 1 106 1 1 1 1 9 ASN H . 9 . HN 1 1 106 1 2 1 1 10 CYS H . 10 . HN 1 1 107 1 1 1 1 9 ASN HA . 9 . HA 1 1 107 1 2 1 1 10 CYS H . 10 . HN 1 1 108 1 1 1 1 9 ASN HB2 . 9 . HB2 1 1 108 1 2 1 1 10 CYS H . 10 . HN 1 1 109 1 1 1 1 9 ASN HB3 . 9 . HB1 1 1 109 1 2 1 1 10 CYS H . 10 . HN 1 1 110 1 1 1 1 10 CYS H . 10 . HN 1 1 110 1 2 1 1 10 CYS HA . 10 . HA 1 1 111 1 1 1 1 10 CYS H . 10 . HN 1 1 111 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 112 1 1 1 1 10 CYS H . 10 . HN 1 1 112 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 113 1 1 1 1 10 CYS H . 10 . HN 1 1 113 1 2 1 1 11 MET H . 11 . HN 1 1 114 1 1 1 1 10 CYS H . 10 . HN 1 1 114 1 2 1 1 12 ASN H . 12 . HN 1 1 115 1 1 1 1 10 CYS HA . 10 . HA 1 1 115 1 2 1 1 11 MET H . 11 . HN 1 1 116 1 1 1 1 10 CYS HA . 10 . HA 1 1 116 1 2 1 1 11 MET QB . 11 . HB# 1 1 117 1 1 1 1 10 CYS QB . 10 . HB# 1 1 117 1 2 1 1 22 CYS H . 22 . HN 1 1 118 1 1 1 1 10 CYS QB . 10 . HB# 1 1 118 1 2 1 1 22 CYS QB . 22 . HB# 1 1 119 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 119 1 2 1 1 11 MET H . 11 . HN 1 1 120 1 1 1 1 10 CYS HB3 . 10 . HB1 1 1 120 1 2 1 1 11 MET H . 11 . HN 1 1 121 1 1 1 1 11 MET H . 11 . HN 1 1 121 1 2 1 1 11 MET HA . 11 . HA 1 1 122 1 1 1 1 11 MET H . 11 . HN 1 1 122 1 2 1 1 11 MET QB . 11 . HB# 1 1 123 1 1 1 1 11 MET H . 11 . HN 1 1 123 1 2 1 1 11 MET ME . 11 . HE# 1 1 124 1 1 1 1 11 MET H . 11 . HN 1 1 124 1 2 1 1 11 MET HG2 . 11 . HG2 1 1 125 1 1 1 1 11 MET H . 11 . HN 1 1 125 1 2 1 1 11 MET HG3 . 11 . HG1 1 1 126 1 1 1 1 11 MET H . 11 . HN 1 1 126 1 2 1 1 12 ASN H . 12 . HN 1 1 127 1 1 1 1 11 MET H . 11 . HN 1 1 127 1 2 1 1 13 SER H . 13 . HN 1 1 128 1 1 1 1 11 MET HA . 11 . HA 1 1 128 1 2 1 1 11 MET ME . 11 . HE# 1 1 129 1 1 1 1 11 MET HA . 11 . HA 1 1 129 1 2 1 1 11 MET HG2 . 11 . HG2 1 1 130 1 1 1 1 11 MET HA . 11 . HA 1 1 130 1 2 1 1 11 MET HG3 . 11 . HG1 1 1 131 1 1 1 1 11 MET HA . 11 . HA 1 1 131 1 2 1 1 12 ASN H . 12 . HN 1 1 132 1 1 1 1 11 MET QB . 11 . HB# 1 1 132 1 2 1 1 11 MET ME . 11 . HE# 1 1 133 1 1 1 1 11 MET ME . 11 . HE# 1 1 133 1 2 1 1 11 MET HG2 . 11 . HG2 1 1 134 1 1 1 1 11 MET ME . 11 . HE# 1 1 134 1 2 1 1 11 MET HG3 . 11 . HG1 1 1 135 1 1 1 1 11 MET ME . 11 . HE# 1 1 135 1 2 1 1 18 SER HA . 18 . HA 1 1 136 1 1 1 1 11 MET ME . 11 . HE# 1 1 136 1 2 1 1 18 SER QB . 18 . HB# 1 1 137 1 1 1 1 11 MET ME . 11 . HE# 1 1 137 1 2 1 1 19 PHE H . 19 . HN 1 1 138 1 1 1 1 11 MET ME . 11 . HE# 1 1 138 1 2 1 1 19 PHE HA . 19 . HA 1 1 139 1 1 1 1 11 MET ME . 11 . HE# 1 1 139 1 2 1 1 19 PHE HB2 . 19 . HB2 1 1 140 1 1 1 1 11 MET ME . 11 . HE# 1 1 140 1 2 1 1 19 PHE HB3 . 19 . HB1 1 1 141 1 1 1 1 11 MET ME . 11 . HE# 1 1 141 1 2 1 1 19 PHE QD . 19 . HD# 1 1 142 1 1 1 1 12 ASN H . 12 . HN 1 1 142 1 2 1 1 12 ASN HA . 12 . HA 1 1 143 1 1 1 1 12 ASN H . 12 . HN 1 1 143 1 2 1 1 12 ASN HB2 . 12 . HB2 1 1 144 1 1 1 1 12 ASN H . 12 . HN 1 1 144 1 2 1 1 12 ASN HB3 . 12 . HB1 1 1 145 1 1 1 1 12 ASN H . 12 . HN 1 1 145 1 2 1 1 13 SER H . 13 . HN 1 1 146 1 1 1 1 12 ASN HA . 12 . HA 1 1 146 1 2 1 1 12 ASN HB2 . 12 . HB2 1 1 147 1 1 1 1 12 ASN HA . 12 . HA 1 1 147 1 2 1 1 12 ASN HB3 . 12 . HB1 1 1 148 1 1 1 1 12 ASN HA . 12 . HA 1 1 148 1 2 1 1 13 SER H . 13 . HN 1 1 149 1 1 1 1 12 ASN QD . 12 . HD2# 1 1 149 1 2 1 1 13 SER H . 13 . HN 1 1 150 1 1 1 1 13 SER H . 13 . HN 1 1 150 1 2 1 1 13 SER HA . 13 . HA 1 1 151 1 1 1 1 13 SER H . 13 . HN 1 1 151 1 2 1 1 13 SER QB . 13 . HB# 1 1 152 1 1 1 1 13 SER H . 13 . HN 1 1 152 1 2 1 1 14 GLY H . 14 . HN 1 1 153 1 1 1 1 13 SER HA . 13 . HA 1 1 153 1 2 1 1 14 GLY H . 14 . HN 1 1 154 1 1 1 1 13 SER HA . 13 . HA 1 1 154 1 2 1 1 15 GLY H . 15 . HN 1 1 155 1 1 1 1 14 GLY H . 14 . HN 1 1 155 1 2 1 1 14 GLY HA2 . 14 . HA2 1 1 156 1 1 1 1 14 GLY H . 14 . HN 1 1 156 1 2 1 1 14 GLY HA3 . 14 . HA1 1 1 157 1 1 1 1 14 GLY H . 14 . HN 1 1 157 1 2 1 1 15 GLY H . 15 . HN 1 1 158 1 1 1 1 14 GLY H . 14 . HN 1 1 158 1 2 1 1 15 GLY QA . 15 . HA# 1 1 159 1 1 1 1 14 GLY QA . 14 . HA# 1 1 159 1 2 1 1 16 GLY H . 16 . HN 1 1 160 1 1 1 1 14 GLY HA2 . 14 . HA2 1 1 160 1 2 1 1 15 GLY H . 15 . HN 1 1 161 1 1 1 1 14 GLY HA3 . 14 . HA1 1 1 161 1 2 1 1 15 GLY H . 15 . HN 1 1 162 1 1 1 1 15 GLY H . 15 . HN 1 1 162 1 2 1 1 15 GLY HA2 . 15 . HA2 1 1 163 1 1 1 1 15 GLY H . 15 . HN 1 1 163 1 2 1 1 15 GLY HA3 . 15 . HA1 1 1 164 1 1 1 1 15 GLY H . 15 . HN 1 1 164 1 2 1 1 16 GLY H . 16 . HN 1 1 165 1 1 1 1 15 GLY QA . 15 . HA# 1 1 165 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 166 1 1 1 1 16 GLY H . 16 . HN 1 1 166 1 2 1 1 16 GLY HA2 . 16 . HA2 1 1 167 1 1 1 1 16 GLY H . 16 . HN 1 1 167 1 2 1 1 16 GLY HA3 . 16 . HA1 1 1 168 1 1 1 1 16 GLY H . 16 . HN 1 1 168 1 2 1 1 17 LEU H . 17 . HN 1 1 169 1 1 1 1 16 GLY QA . 16 . HA# 1 1 169 1 2 1 1 17 LEU H . 17 . HN 1 1 170 1 1 1 1 17 LEU H . 17 . HN 1 1 170 1 2 1 1 17 LEU HA . 17 . HA 1 1 171 1 1 1 1 17 LEU H . 17 . HN 1 1 171 1 2 1 1 17 LEU QB . 17 . HB# 1 1 172 1 1 1 1 17 LEU H . 17 . HN 1 1 172 1 2 1 1 17 LEU MD1 . 17 . HD1# 1 1 173 1 1 1 1 17 LEU H . 17 . HN 1 1 173 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 174 1 1 1 1 17 LEU H . 17 . HN 1 1 174 1 2 1 1 17 LEU HG . 17 . HG 1 1 175 1 1 1 1 17 LEU H . 17 . HN 1 1 175 1 2 1 1 18 SER H . 18 . HN 1 1 176 1 1 1 1 17 LEU HA . 17 . HA 1 1 176 1 2 1 1 17 LEU MD1 . 17 . HD1# 1 1 177 1 1 1 1 17 LEU HA . 17 . HA 1 1 177 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 178 1 1 1 1 17 LEU HA . 17 . HA 1 1 178 1 2 1 1 17 LEU HG . 17 . HG 1 1 179 1 1 1 1 17 LEU HA . 17 . HA 1 1 179 1 2 1 1 18 SER H . 18 . HN 1 1 180 1 1 1 1 17 LEU HB2 . 17 . HB2 1 1 180 1 2 1 1 17 LEU QD . 17 . HD# 1 1 181 1 1 1 1 17 LEU HB3 . 17 . HB1 1 1 181 1 2 1 1 17 LEU QD . 17 . HD# 1 1 182 1 1 1 1 17 LEU QD . 17 . HD# 1 1 182 1 2 1 1 25 MET ME . 25 . HE# 1 1 183 1 1 1 1 17 LEU MD1 . 17 . HD1# 1 1 183 1 2 1 1 18 SER HA . 18 . HA 1 1 184 1 1 1 1 17 LEU MD1 . 17 . HD1# 1 1 184 1 2 1 1 18 SER HB2 . 18 . HB2 1 1 185 1 1 1 1 17 LEU MD1 . 17 . HD1# 1 1 185 1 2 1 1 18 SER HB3 . 18 . HB1 1 1 186 1 1 1 1 17 LEU MD2 . 17 . HD2# 1 1 186 1 2 1 1 21 GLN QB . 21 . HB# 1 1 187 1 1 1 1 17 LEU HG . 17 . HG 1 1 187 1 2 1 1 18 SER H . 18 . HN 1 1 188 1 1 1 1 18 SER H . 18 . HN 1 1 188 1 2 1 1 18 SER HA . 18 . HA 1 1 189 1 1 1 1 18 SER H . 18 . HN 1 1 189 1 2 1 1 18 SER HB2 . 18 . HB2 1 1 190 1 1 1 1 18 SER H . 18 . HN 1 1 190 1 2 1 1 18 SER HB3 . 18 . HB1 1 1 191 1 1 1 1 18 SER H . 18 . HN 1 1 191 1 2 1 1 21 GLN QB . 21 . HB# 1 1 192 1 1 1 1 18 SER H . 18 . HN 1 1 192 1 2 1 1 21 GLN QG . 21 . HG# 1 1 193 1 1 1 1 18 SER HA . 18 . HA 1 1 193 1 2 1 1 19 PHE H . 19 . HN 1 1 194 1 1 1 1 18 SER HA . 18 . HA 1 1 194 1 2 1 1 20 ILE H . 20 . HN 1 1 195 1 1 1 1 18 SER HA . 18 . HA 1 1 195 1 2 1 1 21 GLN H . 21 . HN 1 1 196 1 1 1 1 18 SER QB . 18 . HB# 1 1 196 1 2 1 1 21 GLN QG . 21 . HG# 1 1 197 1 1 1 1 18 SER HB2 . 18 . HB2 1 1 197 1 2 1 1 19 PHE H . 19 . HN 1 1 198 1 1 1 1 18 SER HB2 . 18 . HB2 1 1 198 1 2 1 1 20 ILE H . 20 . HN 1 1 199 1 1 1 1 18 SER HB3 . 18 . HB1 1 1 199 1 2 1 1 19 PHE H . 19 . HN 1 1 200 1 1 1 1 18 SER HB3 . 18 . HB1 1 1 200 1 2 1 1 20 ILE H . 20 . HN 1 1 201 1 1 1 1 19 PHE H . 19 . HN 1 1 201 1 2 1 1 19 PHE HA . 19 . HA 1 1 202 1 1 1 1 19 PHE H . 19 . HN 1 1 202 1 2 1 1 19 PHE HB2 . 19 . HB2 1 1 203 1 1 1 1 19 PHE H . 19 . HN 1 1 203 1 2 1 1 19 PHE HB3 . 19 . HB1 1 1 204 1 1 1 1 19 PHE H . 19 . HN 1 1 204 1 2 1 1 19 PHE QD . 19 . HD# 1 1 205 1 1 1 1 19 PHE H . 19 . HN 1 1 205 1 2 1 1 20 ILE H . 20 . HN 1 1 206 1 1 1 1 19 PHE HA . 19 . HA 1 1 206 1 2 1 1 19 PHE HB2 . 19 . HB2 1 1 207 1 1 1 1 19 PHE HA . 19 . HA 1 1 207 1 2 1 1 19 PHE HB3 . 19 . HB1 1 1 208 1 1 1 1 19 PHE HA . 19 . HA 1 1 208 1 2 1 1 19 PHE QD . 19 . HD# 1 1 209 1 1 1 1 19 PHE HA . 19 . HA 1 1 209 1 2 1 1 19 PHE QE . 19 . HE# 1 1 210 1 1 1 1 19 PHE HA . 19 . HA 1 1 210 1 2 1 1 20 ILE H . 20 . HN 1 1 211 1 1 1 1 19 PHE HA . 19 . HA 1 1 211 1 2 1 1 22 CYS QB . 22 . HB# 1 1 212 1 1 1 1 19 PHE HA . 19 . HA 1 1 212 1 2 1 1 23 LYS H . 23 . HN 1 1 213 1 1 1 1 19 PHE HB2 . 19 . HB2 1 1 213 1 2 1 1 19 PHE QD . 19 . HD# 1 1 214 1 1 1 1 19 PHE HB2 . 19 . HB2 1 1 214 1 2 1 1 20 ILE H . 20 . HN 1 1 215 1 1 1 1 19 PHE HB3 . 19 . HB1 1 1 215 1 2 1 1 19 PHE QD . 19 . HD# 1 1 216 1 1 1 1 19 PHE HB3 . 19 . HB1 1 1 216 1 2 1 1 20 ILE H . 20 . HN 1 1 217 1 1 1 1 19 PHE QD . 19 . HD# 1 1 217 1 2 1 1 20 ILE H . 20 . HN 1 1 218 1 1 1 1 19 PHE QD . 19 . HD# 1 1 218 1 2 1 1 20 ILE HA . 20 . HA 1 1 219 1 1 1 1 19 PHE QD . 19 . HD# 1 1 219 1 2 1 1 20 ILE MD . 20 . HD# 1 1 220 1 1 1 1 19 PHE QE . 19 . HE# 1 1 220 1 2 1 1 20 ILE HA . 20 . HA 1 1 221 1 1 1 1 19 PHE QE . 19 . HE# 1 1 221 1 2 1 1 20 ILE MD . 20 . HD# 1 1 222 1 1 1 1 19 PHE QE . 19 . HE# 1 1 222 1 2 1 1 20 ILE QG . 20 . HG1# 1 1 223 1 1 1 1 20 ILE H . 20 . HN 1 1 223 1 2 1 1 20 ILE HA . 20 . HA 1 1 224 1 1 1 1 20 ILE H . 20 . HN 1 1 224 1 2 1 1 20 ILE HB . 20 . HB 1 1 225 1 1 1 1 20 ILE H . 20 . HN 1 1 225 1 2 1 1 20 ILE MD . 20 . HD# 1 1 226 1 1 1 1 20 ILE H . 20 . HN 1 1 226 1 2 1 1 20 ILE HG12 . 20 . HG12 1 1 227 1 1 1 1 20 ILE H . 20 . HN 1 1 227 1 2 1 1 20 ILE HG13 . 20 . HG11 1 1 228 1 1 1 1 20 ILE H . 20 . HN 1 1 228 1 2 1 1 21 GLN H . 21 . HN 1 1 229 1 1 1 1 20 ILE HA . 20 . HA 1 1 229 1 2 1 1 20 ILE HB . 20 . HB 1 1 230 1 1 1 1 20 ILE HA . 20 . HA 1 1 230 1 2 1 1 20 ILE QG . 20 . HG1# 1 1 231 1 1 1 1 20 ILE HA . 20 . HA 1 1 231 1 2 1 1 21 GLN H . 21 . HN 1 1 232 1 1 1 1 20 ILE HA . 20 . HA 1 1 232 1 2 1 1 23 LYS H . 23 . HN 1 1 233 1 1 1 1 20 ILE HA . 20 . HA 1 1 233 1 2 1 1 24 THR H . 24 . HN 1 1 234 1 1 1 1 20 ILE HA . 20 . HA 1 1 234 1 2 1 1 24 THR HG1 . 24 . HG# 1 1 234 1 2 1 1 24 THR MG . 24 . HG# 1 1 235 1 1 1 1 20 ILE HB . 20 . HB 1 1 235 1 2 1 1 20 ILE MD . 20 . HD# 1 1 236 1 1 1 1 20 ILE MD . 20 . HD# 1 1 236 1 2 1 1 21 GLN H . 21 . HN 1 1 237 1 1 1 1 20 ILE MD . 20 . HD# 1 1 237 1 2 1 1 21 GLN HA . 21 . HA 1 1 238 1 1 1 1 20 ILE MD . 20 . HD# 1 1 238 1 2 1 1 21 GLN QG . 21 . HG# 1 1 239 1 1 1 1 20 ILE QG . 20 . HG1# 1 1 239 1 2 1 1 21 GLN QG . 21 . HG# 1 1 240 1 1 1 1 21 GLN H . 21 . HN 1 1 240 1 2 1 1 21 GLN HA . 21 . HA 1 1 241 1 1 1 1 21 GLN H . 21 . HN 1 1 241 1 2 1 1 21 GLN QB . 21 . HB# 1 1 242 1 1 1 1 21 GLN H . 21 . HN 1 1 242 1 2 1 1 21 GLN QG . 21 . HG# 1 1 243 1 1 1 1 21 GLN H . 21 . HN 1 1 243 1 2 1 1 22 CYS H . 22 . HN 1 1 244 1 1 1 1 21 GLN H . 21 . HN 1 1 244 1 2 1 1 23 LYS H . 23 . HN 1 1 245 1 1 1 1 21 GLN HA . 21 . HA 1 1 245 1 2 1 1 21 GLN QG . 21 . HG# 1 1 246 1 1 1 1 21 GLN HA . 21 . HA 1 1 246 1 2 1 1 22 CYS H . 22 . HN 1 1 247 1 1 1 1 21 GLN HE21 . 21 . HE21 1 1 247 1 2 1 1 21 GLN HG3 . 21 . HG1 1 1 248 1 1 1 1 21 GLN HE22 . 21 . HE22 1 1 248 1 2 1 1 21 GLN HG2 . 21 . HG2 1 1 249 1 1 1 1 21 GLN QG . 21 . HG# 1 1 249 1 2 1 1 22 CYS H . 22 . HN 1 1 250 1 1 1 1 22 CYS H . 22 . HN 1 1 250 1 2 1 1 22 CYS HA . 22 . HA 1 1 251 1 1 1 1 22 CYS H . 22 . HN 1 1 251 1 2 1 1 22 CYS HB2 . 22 . HB2 1 1 252 1 1 1 1 22 CYS H . 22 . HN 1 1 252 1 2 1 1 22 CYS HB3 . 22 . HB1 1 1 253 1 1 1 1 22 CYS H . 22 . HN 1 1 253 1 2 1 1 23 LYS H . 23 . HN 1 1 254 1 1 1 1 22 CYS H . 22 . HN 1 1 254 1 2 1 1 26 CYS H . 26 . HN 1 1 255 1 1 1 1 22 CYS HA . 22 . HA 1 1 255 1 2 1 1 22 CYS HB2 . 22 . HB2 1 1 256 1 1 1 1 22 CYS HA . 22 . HA 1 1 256 1 2 1 1 22 CYS HB3 . 22 . HB1 1 1 257 1 1 1 1 22 CYS HA . 22 . HA 1 1 257 1 2 1 1 23 LYS H . 23 . HN 1 1 258 1 1 1 1 22 CYS HA . 22 . HA 1 1 258 1 2 1 1 25 MET H . 25 . HN 1 1 259 1 1 1 1 22 CYS HA . 22 . HA 1 1 259 1 2 1 1 25 MET QB . 25 . HB# 1 1 260 1 1 1 1 22 CYS HB2 . 22 . HB2 1 1 260 1 2 1 1 23 LYS H . 23 . HN 1 1 261 1 1 1 1 22 CYS HB3 . 22 . HB1 1 1 261 1 2 1 1 23 LYS H . 23 . HN 1 1 262 1 1 1 1 23 LYS H . 23 . HN 1 1 262 1 2 1 1 23 LYS HA . 23 . HA 1 1 263 1 1 1 1 23 LYS H . 23 . HN 1 1 263 1 2 1 1 23 LYS QB . 23 . HB# 1 1 264 1 1 1 1 23 LYS H . 23 . HN 1 1 264 1 2 1 1 23 LYS QD . 23 . HD# 1 1 265 1 1 1 1 23 LYS H . 23 . HN 1 1 265 1 2 1 1 23 LYS QG . 23 . HG# 1 1 266 1 1 1 1 23 LYS H . 23 . HN 1 1 266 1 2 1 1 24 THR H . 24 . HN 1 1 267 1 1 1 1 23 LYS HA . 23 . HA 1 1 267 1 2 1 1 23 LYS QD . 23 . HD# 1 1 268 1 1 1 1 23 LYS HA . 23 . HA 1 1 268 1 2 1 1 23 LYS QG . 23 . HG# 1 1 269 1 1 1 1 23 LYS HA . 23 . HA 1 1 269 1 2 1 1 24 THR H . 24 . HN 1 1 270 1 1 1 1 23 LYS QB . 23 . HB# 1 1 270 1 2 1 1 23 LYS QD . 23 . HD# 1 1 271 1 1 1 1 23 LYS QB . 23 . HB# 1 1 271 1 2 1 1 23 LYS QE . 23 . HE# 1 1 272 1 1 1 1 23 LYS QB . 23 . HB# 1 1 272 1 2 1 1 24 THR H . 24 . HN 1 1 273 1 1 1 1 23 LYS HB2 . 23 . HB2 1 1 273 1 2 1 1 23 LYS QG . 23 . HG# 1 1 274 1 1 1 1 23 LYS QE . 23 . HE# 1 1 274 1 2 1 1 23 LYS QG . 23 . HG# 1 1 275 1 1 1 1 24 THR H . 24 . HN 1 1 275 1 2 1 1 24 THR HA . 24 . HA 1 1 276 1 1 1 1 24 THR H . 24 . HN 1 1 276 1 2 1 1 24 THR HB . 24 . HB 1 1 277 1 1 1 1 24 THR H . 24 . HN 1 1 277 1 2 1 1 24 THR HG1 . 24 . HG# 1 1 277 1 2 1 1 24 THR MG . 24 . HG# 1 1 278 1 1 1 1 24 THR HA . 24 . HA 1 1 278 1 2 1 1 24 THR HG1 . 24 . HG# 1 1 278 1 2 1 1 24 THR MG . 24 . HG# 1 1 279 1 1 1 1 24 THR HA . 24 . HA 1 1 279 1 2 1 1 25 MET H . 25 . HN 1 1 280 1 1 1 1 25 MET H . 25 . HN 1 1 280 1 2 1 1 25 MET HA . 25 . HA 1 1 281 1 1 1 1 25 MET H . 25 . HN 1 1 281 1 2 1 1 25 MET QB . 25 . HB# 1 1 282 1 1 1 1 25 MET H . 25 . HN 1 1 282 1 2 1 1 25 MET ME . 25 . HE# 1 1 283 1 1 1 1 25 MET H . 25 . HN 1 1 283 1 2 1 1 25 MET HG2 . 25 . HG2 1 1 284 1 1 1 1 25 MET H . 25 . HN 1 1 284 1 2 1 1 25 MET HG3 . 25 . HG1 1 1 285 1 1 1 1 25 MET HA . 25 . HA 1 1 285 1 2 1 1 26 CYS H . 26 . HN 1 1 286 1 1 1 1 26 CYS H . 26 . HN 1 1 286 1 2 1 1 26 CYS HA . 26 . HA 1 1 287 1 1 1 1 26 CYS H . 26 . HN 1 1 287 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 288 1 1 1 1 26 CYS H . 26 . HN 1 1 288 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 289 1 1 1 1 26 CYS HA . 26 . HA 1 1 289 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 290 1 1 1 1 26 CYS HA . 26 . HA 1 1 290 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 291 1 1 1 1 26 CYS HA . 26 . HA 1 1 291 1 2 1 1 27 TYR QB . 27 . HB# 1 1 292 1 1 1 1 26 CYS HA . 26 . HA 1 1 292 1 2 1 1 27 TYR QD . 27 . HD# 1 1 293 1 1 1 1 27 TYR H . 27 . HN 1 1 293 1 2 1 1 27 TYR HA . 27 . HA 1 1 294 1 1 1 1 27 TYR H . 27 . HN 1 1 294 1 2 1 1 27 TYR HB2 . 27 . HB2 1 1 295 1 1 1 1 27 TYR H . 27 . HN 1 1 295 1 2 1 1 27 TYR HB3 . 27 . HB1 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 0.8 6.0 1 1 2 1 . . . . . 2.5 0.8 3.7 1 1 3 1 . . . . . 4.0 1.8 5.0 1 1 4 1 . . . . . 3.0 1.8 3.5 1 1 5 1 . . . . . 2.5 0.8 3.7 1 1 6 1 . . . . . 3.0 1.8 3.5 1 1 7 1 . . . . . 2.5 1.2 3.3 1 1 8 1 . . . . . 4.0 -0.6 7.4 1 1 9 1 . . . . . 2.5 0.8 3.7 1 1 10 1 . . . . . 3.0 0.1 5.2 1 1 11 1 . . . . . 3.0 1.8 3.5 1 1 12 1 . . . . . 4.0 1.8 5.0 1 1 13 1 . . . . . 4.0 1.8 5.0 1 1 14 1 . . . . . 2.5 -1.6 6.1 1 1 15 1 . . . . . 3.0 1.8 3.5 1 1 16 1 . . . . . 4.0 -2.6 9.4 1 1 17 1 . . . . . 3.0 -2.6 7.9 1 1 18 1 . . . . . 3.0 -2.6 7.9 1 1 19 1 . . . . . 2.5 1.8 2.7 1 1 20 1 . . . . . 2.5 1.8 2.7 1 1 21 1 . . . . . 3.0 1.8 3.5 1 1 22 1 . . . . . 4.0 0.8 6.0 1 1 23 1 . . . . . 3.0 1.8 3.5 1 1 24 1 . . . . . 3.0 1.8 3.5 1 1 25 1 . . . . . 2.5 1.2 3.3 1 1 26 1 . . . . . 4.0 0.8 6.0 1 1 27 1 . . . . . 4.0 0.8 6.0 1 1 28 1 . . . . . 3.0 1.8 3.5 1 1 29 1 . . . . . 2.5 0.8 3.7 1 1 30 1 . . . . . 4.0 0.8 6.0 1 1 31 1 . . . . . 3.0 1.2 4.1 1 1 32 1 . . . . . 3.0 1.8 3.5 1 1 33 1 . . . . . 4.0 0.8 6.0 1 1 34 1 . . . . . 3.0 1.8 3.5 1 1 35 1 . . . . . 3.0 1.8 3.5 1 1 36 1 . . . . . 3.0 0.8 4.5 1 1 37 1 . . . . . 3.0 0.8 4.5 1 1 38 1 . . . . . 3.0 1.8 3.5 1 1 39 1 . . . . . 3.0 1.8 3.5 1 1 40 1 . . . . . 3.0 1.8 3.5 1 1 41 1 . . . . . 3.0 1.8 3.5 1 1 42 1 . . . . . 3.0 1.8 3.5 1 1 43 1 . . . . . 3.0 0.8 4.5 1 1 44 1 . . . . . 3.0 1.8 3.5 1 1 45 1 . . . . . 3.0 1.8 3.5 1 1 46 1 . . . . . 3.0 1.8 3.5 1 1 47 1 . . . . . 2.5 1.8 2.7 1 1 48 1 . . . . . 3.0 0.8 4.5 1 1 49 1 . . . . . 3.0 1.8 3.5 1 1 50 1 . . . . . 2.5 1.8 2.7 1 1 51 1 . . . . . 3.0 0.8 4.5 1 1 52 1 . . . . . 3.0 1.8 3.5 1 1 53 1 . . . . . 3.0 1.8 3.5 1 1 54 1 . . . . . 3.0 -0.2 5.5 1 1 55 1 . . . . . 3.0 1.8 3.5 1 1 56 1 . . . . . 3.0 1.8 3.5 1 1 57 1 . . . . . 3.0 1.2 4.1 1 1 58 1 . . . . . 4.0 1.8 5.0 1 1 59 1 . . . . . 3.0 1.8 3.5 1 1 60 1 . . . . . 4.0 1.8 5.0 1 1 61 1 . . . . . 4.0 0.8 6.0 1 1 62 1 . . . . . 3.0 0.8 4.5 1 1 63 1 . . . . . 2.5 1.8 2.7 1 1 64 1 . . . . . 3.0 1.8 3.5 1 1 65 1 . . . . . 3.0 0.8 4.5 1 1 66 1 . . . . . 2.5 0.8 3.7 1 1 67 1 . . . . . 4.0 1.8 5.0 1 1 68 1 . . . . . 2.5 0.8 3.7 1 1 69 1 . . . . . 4.0 1.8 5.0 1 1 70 1 . . . . . 3.0 1.8 3.5 1 1 71 1 . . . . . 3.0 1.8 3.5 1 1 72 1 . . . . . 3.0 -0.6 5.9 1 1 73 1 . . . . . 3.0 -0.6 5.9 1 1 74 1 . . . . . 3.0 1.8 3.5 1 1 75 1 . . . . . 3.0 1.8 3.5 1 1 76 1 . . . . . 4.0 -1.6 8.4 1 1 77 1 . . . . . 3.0 -1.6 6.9 1 1 78 1 . . . . . 4.0 -0.2 7.0 1 1 79 1 . . . . . 3.0 0.8 4.5 1 1 80 1 . . . . . 4.0 -0.2 7.0 1 1 81 1 . . . . . 3.0 1.8 3.5 1 1 82 1 . . . . . 3.0 1.8 3.5 1 1 83 1 . . . . . 2.5 0.8 3.7 1 1 84 1 . . . . . 4.0 0.8 6.0 1 1 85 1 . . . . . 3.0 1.8 3.5 1 1 86 1 . . . . . 4.0 0.8 6.0 1 1 87 1 . . . . . 4.0 1.8 5.0 1 1 88 1 . . . . . 3.0 -0.6 5.9 1 1 89 1 . . . . . 4.0 -0.2 7.0 1 1 90 1 . . . . . 3.0 1.8 3.5 1 1 91 1 . . . . . 3.0 1.8 3.5 1 1 92 1 . . . . . 2.5 -0.6 5.1 1 1 93 1 . . . . . 3.0 1.8 3.5 1 1 94 1 . . . . . 2.5 -0.6 5.1 1 1 95 1 . . . . . 3.0 1.8 3.5 1 1 96 1 . . . . . 3.0 -0.6 5.9 1 1 97 1 . . . . . 3.0 -0.6 5.9 1 1 98 1 . . . . . 4.0 0.4 6.4 1 1 99 1 . . . . . 4.0 0.4 6.4 1 1 100 1 . . . . . 4.0 -0.6 7.4 1 1 101 1 . . . . . 2.5 1.8 2.7 1 1 102 1 . . . . . 3.0 1.8 3.5 1 1 103 1 . . . . . 3.0 1.8 3.5 1 1 104 1 . . . . . 4.0 1.8 5.0 1 1 105 1 . . . . . 4.0 1.8 5.0 1 1 106 1 . . . . . 3.0 1.8 3.5 1 1 107 1 . . . . . 3.0 1.8 3.5 1 1 108 1 . . . . . 3.0 1.8 3.5 1 1 109 1 . . . . . 4.0 1.8 5.0 1 1 110 1 . . . . . 2.5 1.8 2.7 1 1 111 1 . . . . . 2.5 1.8 2.7 1 1 112 1 . . . . . 2.5 1.8 2.7 1 1 113 1 . . . . . 3.0 1.8 3.5 1 1 114 1 . . . . . 4.0 1.8 5.0 1 1 115 1 . . . . . 3.0 1.8 3.5 1 1 116 1 . . . . . 4.0 0.8 6.0 1 1 117 1 . . . . . 4.0 0.8 6.0 1 1 118 1 . . . . . 4.0 -0.2 7.0 1 1 119 1 . . . . . 3.0 1.8 3.5 1 1 120 1 . . . . . 3.0 1.8 3.5 1 1 121 1 . . . . . 3.0 1.8 3.5 1 1 122 1 . . . . . 3.0 0.8 4.5 1 1 123 1 . . . . . 3.0 0.8 4.5 1 1 124 1 . . . . . 3.0 1.8 3.5 1 1 125 1 . . . . . 3.0 1.8 3.5 1 1 126 1 . . . . . 3.0 1.8 3.5 1 1 127 1 . . . . . 4.0 1.8 5.0 1 1 128 1 . . . . . 3.0 0.8 4.5 1 1 129 1 . . . . . 3.0 1.8 3.5 1 1 130 1 . . . . . 3.0 1.8 3.5 1 1 131 1 . . . . . 3.0 1.8 3.5 1 1 132 1 . . . . . 2.5 -0.2 4.7 1 1 133 1 . . . . . 3.0 0.8 4.5 1 1 134 1 . . . . . 3.0 0.8 4.5 1 1 135 1 . . . . . 3.0 -0.2 5.5 1 1 136 1 . . . . . 4.0 -0.2 7.0 1 1 137 1 . . . . . 4.0 0.8 6.0 1 1 138 1 . . . . . 3.0 -0.2 5.5 1 1 139 1 . . . . . 3.0 0.8 4.5 1 1 140 1 . . . . . 3.0 0.8 4.5 1 1 141 1 . . . . . 4.0 -1.6 8.4 1 1 142 1 . . . . . 3.0 1.8 3.5 1 1 143 1 . . . . . 3.0 1.8 3.5 1 1 144 1 . . . . . 3.0 1.8 3.5 1 1 145 1 . . . . . 3.0 1.8 3.5 1 1 146 1 . . . . . 3.0 1.8 3.5 1 1 147 1 . . . . . 3.0 1.8 3.5 1 1 148 1 . . . . . 3.0 1.8 3.5 1 1 149 1 . . . . . 3.0 0.8 4.5 1 1 150 1 . . . . . 2.5 1.8 2.7 1 1 151 1 . . . . . 3.0 1.2 4.1 1 1 152 1 . . . . . 3.0 1.8 3.5 1 1 153 1 . . . . . 3.0 1.8 3.5 1 1 154 1 . . . . . 4.0 1.8 5.0 1 1 155 1 . . . . . 2.5 1.8 2.7 1 1 156 1 . . . . . 2.5 1.8 2.7 1 1 157 1 . . . . . 3.0 1.8 3.5 1 1 158 1 . . . . . 3.0 0.8 4.5 1 1 159 1 . . . . . 4.0 0.8 6.0 1 1 160 1 . . . . . 3.0 1.8 3.5 1 1 161 1 . . . . . 3.0 1.8 3.5 1 1 162 1 . . . . . 2.5 0.8 3.7 1 1 163 1 . . . . . 2.5 1.8 2.7 1 1 164 1 . . . . . 3.0 1.8 3.5 1 1 165 1 . . . . . 4.0 -0.2 7.0 1 1 166 1 . . . . . 2.5 1.8 2.7 1 1 167 1 . . . . . 2.5 1.8 2.7 1 1 168 1 . . . . . 3.0 1.8 3.5 1 1 169 1 . . . . . 3.0 0.8 4.5 1 1 170 1 . . . . . 3.0 1.8 3.5 1 1 171 1 . . . . . 3.0 1.2 4.1 1 1 172 1 . . . . . 4.0 0.8 6.0 1 1 173 1 . . . . . 4.0 0.8 6.0 1 1 174 1 . . . . . 3.0 1.8 3.5 1 1 175 1 . . . . . 3.0 1.8 3.5 1 1 176 1 . . . . . 3.0 0.8 4.5 1 1 177 1 . . . . . 3.0 0.8 4.5 1 1 178 1 . . . . . 3.0 1.8 3.5 1 1 179 1 . . . . . 3.0 1.8 3.5 1 1 180 1 . . . . . 3.0 -1.6 6.9 1 1 181 1 . . . . . 3.0 -1.6 6.9 1 1 182 1 . . . . . 4.0 -0.2 7.0 1 1 183 1 . . . . . 4.0 0.8 6.0 1 1 184 1 . . . . . 3.0 0.8 4.5 1 1 185 1 . . . . . 4.0 0.8 6.0 1 1 186 1 . . . . . 4.0 -0.2 7.0 1 1 187 1 . . . . . 3.0 1.8 3.5 1 1 188 1 . . . . . 3.0 1.8 3.5 1 1 189 1 . . . . . 2.5 1.8 2.7 1 1 190 1 . . . . . 3.0 1.8 3.5 1 1 191 1 . . . . . 4.0 0.8 6.0 1 1 192 1 . . . . . 3.0 0.8 4.5 1 1 193 1 . . . . . 2.5 0.8 2.7 1 1 194 1 . . . . . 4.0 1.8 5.0 1 1 195 1 . . . . . 4.0 1.8 5.0 1 1 196 1 . . . . . 3.0 0.8 4.5 1 1 197 1 . . . . . 3.0 1.8 3.5 1 1 198 1 . . . . . 4.0 0.8 6.0 1 1 199 1 . . . . . 3.0 1.8 3.5 1 1 200 1 . . . . . 3.0 0.8 4.5 1 1 201 1 . . . . . 3.0 1.8 3.5 1 1 202 1 . . . . . 3.0 1.8 3.5 1 1 203 1 . . . . . 3.0 1.8 3.5 1 1 204 1 . . . . . 4.0 -0.6 7.4 1 1 205 1 . . . . . 3.0 1.8 3.5 1 1 206 1 . . . . . 3.0 1.8 3.5 1 1 207 1 . . . . . 3.0 1.8 3.5 1 1 208 1 . . . . . 3.0 -0.2 5.5 1 1 209 1 . . . . . 4.0 -0.2 7.0 1 1 210 1 . . . . . 3.0 1.8 3.5 1 1 211 1 . . . . . 4.0 0.8 6.0 1 1 212 1 . . . . . 3.0 1.8 3.5 1 1 213 1 . . . . . 3.0 0.4 4.9 1 1 214 1 . . . . . 3.0 1.8 3.5 1 1 215 1 . . . . . 3.0 -0.6 5.9 1 1 216 1 . . . . . 3.0 1.8 3.5 1 1 217 1 . . . . . 4.0 -0.6 7.4 1 1 218 1 . . . . . 3.0 -0.6 5.9 1 1 219 1 . . . . . 4.0 -1.6 8.4 1 1 220 1 . . . . . 4.0 -0.6 7.4 1 1 221 1 . . . . . 4.0 -1.6 8.4 1 1 222 1 . . . . . 3.0 -1.6 6.9 1 1 223 1 . . . . . 3.0 1.8 3.5 1 1 224 1 . . . . . 3.0 1.8 3.5 1 1 225 1 . . . . . 3.0 0.8 4.5 1 1 226 1 . . . . . 3.0 1.8 3.5 1 1 227 1 . . . . . 3.0 1.8 3.5 1 1 228 1 . . . . . 3.0 1.8 3.5 1 1 229 1 . . . . . 3.0 1.8 3.5 1 1 230 1 . . . . . 3.0 1.2 4.1 1 1 231 1 . . . . . 3.0 1.8 3.5 1 1 232 1 . . . . . 3.0 1.8 3.5 1 1 233 1 . . . . . 4.0 1.8 5.0 1 1 234 1 . . . . . 4.0 0.8 6.0 1 1 235 1 . . . . . 3.0 0.8 4.5 1 1 236 1 . . . . . 4.0 0.8 6.0 1 1 237 1 . . . . . 4.0 0.8 6.0 1 1 238 1 . . . . . 3.0 -0.2 5.5 1 1 239 1 . . . . . 4.0 -0.2 7.0 1 1 240 1 . . . . . 3.0 1.8 3.5 1 1 241 1 . . . . . 3.0 1.2 4.1 1 1 242 1 . . . . . 2.5 0.8 3.7 1 1 243 1 . . . . . 3.0 1.8 3.5 1 1 244 1 . . . . . 4.0 1.8 5.0 1 1 245 1 . . . . . 2.5 1.2 3.3 1 1 246 1 . . . . . 3.0 0.8 4.5 1 1 247 1 . . . . . 3.0 1.8 3.5 1 1 248 1 . . . . . 3.0 1.8 3.5 1 1 249 1 . . . . . 3.0 0.8 4.5 1 1 250 1 . . . . . 3.0 1.8 3.5 1 1 251 1 . . . . . 2.5 1.8 2.7 1 1 252 1 . . . . . 3.0 1.8 3.5 1 1 253 1 . . . . . 3.0 1.8 3.5 1 1 254 1 . . . . . 4.0 1.8 5.0 1 1 255 1 . . . . . 3.0 1.8 3.5 1 1 256 1 . . . . . 3.0 1.8 3.5 1 1 257 1 . . . . . 4.0 1.8 5.0 1 1 258 1 . . . . . 3.0 1.8 3.5 1 1 259 1 . . . . . 3.0 0.8 4.5 1 1 260 1 . . . . . 3.0 0.8 4.5 1 1 261 1 . . . . . 3.0 0.8 4.5 1 1 262 1 . . . . . 3.0 1.8 3.5 1 1 263 1 . . . . . 3.0 1.2 4.1 1 1 264 1 . . . . . 3.0 0.8 4.5 1 1 265 1 . . . . . 3.0 0.8 4.5 1 1 266 1 . . . . . 3.0 1.8 3.5 1 1 267 1 . . . . . 3.0 0.8 4.5 1 1 268 1 . . . . . 3.0 1.2 4.1 1 1 269 1 . . . . . 3.0 1.8 3.5 1 1 270 1 . . . . . 2.5 -0.2 4.7 1 1 271 1 . . . . . 4.0 -0.2 7.0 1 1 272 1 . . . . . 3.0 0.8 4.5 1 1 273 1 . . . . . 2.5 0.8 3.7 1 1 274 1 . . . . . 3.0 -0.2 5.5 1 1 275 1 . . . . . 3.0 1.8 3.5 1 1 276 1 . . . . . 2.5 1.8 3.7 1 1 277 1 . . . . . 3.0 0.8 4.5 1 1 278 1 . . . . . 2.5 1.2 3.3 1 1 279 1 . . . . . 3.0 1.8 3.5 1 1 280 1 . . . . . 2.5 1.8 2.7 1 1 281 1 . . . . . 2.5 1.2 3.3 1 1 282 1 . . . . . 4.0 0.8 6.0 1 1 283 1 . . . . . 3.0 1.8 3.5 1 1 284 1 . . . . . 3.0 1.8 3.5 1 1 285 1 . . . . . 3.0 1.8 3.5 1 1 286 1 . . . . . 3.0 1.8 3.5 1 1 287 1 . . . . . 3.0 1.8 3.5 1 1 288 1 . . . . . 3.0 1.8 3.5 1 1 289 1 . . . . . 3.0 1.8 3.5 1 1 290 1 . . . . . 3.0 1.8 3.5 1 1 291 1 . . . . . 3.0 0.8 4.5 1 1 292 1 . . . . . 4.0 -0.6 7.4 1 1 293 1 . . . . . 3.0 1.8 3.5 1 1 294 1 . . . . . 2.5 1.8 2.7 1 1 295 1 . . . . . 2.5 1.8 2.7 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 GLY C C -5.687 -7.009 4.387 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -6.533 -8.214 3.975 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -8.038 -8.075 5.409 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -8.558 -8.702 3.919 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -8.251 -7.040 4.084 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -6.157 -9.103 4.463 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -6.478 -8.339 2.904 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -7.953 -7.991 4.377 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -5.593 -6.672 5.551 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 GLY C C -3.896 -4.396 2.509 1.00 . A A . 2 GLY C 1 1 1 11 1 1 2 GLY CA C -4.224 -5.176 3.782 1.00 . A A . 2 GLY CA 1 1 1 12 1 1 2 GLY H H -5.154 -6.644 2.509 1.00 . A A . 2 GLY H 1 1 1 13 1 1 2 GLY HA2 H -4.760 -4.537 4.469 1.00 . A A . 2 GLY HA2 1 1 1 14 1 1 2 GLY HA3 H -3.305 -5.508 4.241 1.00 . A A . 2 GLY HA3 1 1 1 15 1 1 2 GLY N N -5.066 -6.357 3.442 1.00 . A A . 2 GLY N 1 1 1 16 1 1 2 GLY O O -4.365 -3.292 2.308 1.00 . A A . 2 GLY O 1 1 1 17 1 1 3 LEU C C -3.970 -3.571 -0.210 1.00 . A A . 3 LEU C 1 1 1 18 1 1 3 LEU CA C -2.734 -4.246 0.385 1.00 . A A . 3 LEU CA 1 1 1 19 1 1 3 LEU CB C -2.215 -5.337 -0.552 1.00 . A A . 3 LEU CB 1 1 1 20 1 1 3 LEU CD1 C -0.626 -7.249 -0.309 1.00 . A A . 3 LEU CD1 1 1 1 21 1 1 3 LEU CD2 C 0.218 -5.001 -1.000 1.00 . A A . 3 LEU CD2 1 1 1 22 1 1 3 LEU CG C -0.802 -5.739 -0.130 1.00 . A A . 3 LEU CG 1 1 1 23 1 1 3 LEU H H -2.725 -5.847 1.828 1.00 . A A . 3 LEU H 1 1 1 24 1 1 3 LEU HA H -1.961 -3.521 0.570 1.00 . A A . 3 LEU HA 1 1 1 25 1 1 3 LEU HB2 H -2.866 -6.198 -0.498 1.00 . A A . 3 LEU HB2 1 1 1 26 1 1 3 LEU HB3 H -2.193 -4.963 -1.564 1.00 . A A . 3 LEU HB3 1 1 1 27 1 1 3 LEU HD11 H 0.003 -7.439 -1.165 1.00 . A A . 3 LEU HD11 1 1 1 28 1 1 3 LEU HD12 H -1.591 -7.708 -0.462 1.00 . A A . 3 LEU HD12 1 1 1 29 1 1 3 LEU HD13 H -0.166 -7.665 0.575 1.00 . A A . 3 LEU HD13 1 1 1 30 1 1 3 LEU HD21 H 1.061 -5.648 -1.193 1.00 . A A . 3 LEU HD21 1 1 1 31 1 1 3 LEU HD22 H 0.554 -4.114 -0.485 1.00 . A A . 3 LEU HD22 1 1 1 32 1 1 3 LEU HD23 H -0.243 -4.721 -1.936 1.00 . A A . 3 LEU HD23 1 1 1 33 1 1 3 LEU HG H -0.648 -5.479 0.907 1.00 . A A . 3 LEU HG 1 1 1 34 1 1 3 LEU N N -3.093 -4.957 1.647 1.00 . A A . 3 LEU N 1 1 1 35 1 1 3 LEU O O -3.914 -2.454 -0.684 1.00 . A A . 3 LEU O 1 1 1 36 1 1 4 GLY C C -6.555 -2.261 -0.142 1.00 . A A . 4 GLY C 1 1 1 37 1 1 4 GLY CA C -6.326 -3.646 -0.747 1.00 . A A . 4 GLY CA 1 1 1 38 1 1 4 GLY H H -5.107 -5.136 0.200 1.00 . A A . 4 GLY H 1 1 1 39 1 1 4 GLY HA2 H -6.224 -3.562 -1.814 1.00 . A A . 4 GLY HA2 1 1 1 40 1 1 4 GLY HA3 H -7.168 -4.281 -0.511 1.00 . A A . 4 GLY HA3 1 1 1 41 1 1 4 GLY N N -5.085 -4.241 -0.185 1.00 . A A . 4 GLY N 1 1 1 42 1 1 4 GLY O O -6.716 -1.283 -0.846 1.00 . A A . 4 GLY O 1 1 1 43 1 1 5 ARG C C -5.480 -0.113 2.002 1.00 . A A . 5 ARG C 1 1 1 44 1 1 5 ARG CA C -6.805 -0.854 1.816 1.00 . A A . 5 ARG CA 1 1 1 45 1 1 5 ARG CB C -7.428 -1.194 3.171 1.00 . A A . 5 ARG CB 1 1 1 46 1 1 5 ARG CD C -9.600 -1.068 1.928 1.00 . A A . 5 ARG CD 1 1 1 47 1 1 5 ARG CG C -8.869 -0.680 3.218 1.00 . A A . 5 ARG CG 1 1 1 48 1 1 5 ARG CZ C -9.981 0.341 -0.015 1.00 . A A . 5 ARG CZ 1 1 1 49 1 1 5 ARG H H -6.449 -2.976 1.699 1.00 . A A . 5 ARG H 1 1 1 50 1 1 5 ARG HA H -7.487 -0.254 1.238 1.00 . A A . 5 ARG HA 1 1 1 51 1 1 5 ARG HB2 H -7.423 -2.266 3.309 1.00 . A A . 5 ARG HB2 1 1 1 52 1 1 5 ARG HB3 H -6.856 -0.727 3.958 1.00 . A A . 5 ARG HB3 1 1 1 53 1 1 5 ARG HD2 H -8.946 -1.641 1.285 1.00 . A A . 5 ARG HD2 1 1 1 54 1 1 5 ARG HD3 H -10.493 -1.630 2.156 1.00 . A A . 5 ARG HD3 1 1 1 55 1 1 5 ARG HE H -10.189 1.002 1.847 1.00 . A A . 5 ARG HE 1 1 1 56 1 1 5 ARG HG2 H -9.379 -1.118 4.065 1.00 . A A . 5 ARG HG2 1 1 1 57 1 1 5 ARG HG3 H -8.865 0.395 3.316 1.00 . A A . 5 ARG HG3 1 1 1 58 1 1 5 ARG HH11 H -11.534 1.605 -0.034 1.00 . A A . 5 ARG HH11 1 1 1 59 1 1 5 ARG HH12 H -10.883 1.194 -1.587 1.00 . A A . 5 ARG HH12 1 1 1 60 1 1 5 ARG HH21 H -8.416 -0.872 -0.306 1.00 . A A . 5 ARG HH21 1 1 1 61 1 1 5 ARG HH22 H -9.121 -0.204 -1.738 1.00 . A A . 5 ARG HH22 1 1 1 62 1 1 5 ARG N N -6.577 -2.173 1.156 1.00 . A A . 5 ARG N 1 1 1 63 1 1 5 ARG NE N -9.963 0.229 1.288 1.00 . A A . 5 ARG NE 1 1 1 64 1 1 5 ARG NH1 N -10.869 1.105 -0.590 1.00 . A A . 5 ARG NH1 1 1 1 65 1 1 5 ARG NH2 N -9.105 -0.296 -0.743 1.00 . A A . 5 ARG NH2 1 1 1 66 1 1 5 ARG O O -5.429 1.099 1.941 1.00 . A A . 5 ARG O 1 1 1 67 1 1 6 CYS C C -2.952 0.984 1.394 1.00 . A A . 6 CYS C 1 1 1 68 1 1 6 CYS CA C -3.093 -0.155 2.405 1.00 . A A . 6 CYS CA 1 1 1 69 1 1 6 CYS CB C -2.057 -1.246 2.141 1.00 . A A . 6 CYS CB 1 1 1 70 1 1 6 CYS H H -4.474 -1.802 2.265 1.00 . A A . 6 CYS H 1 1 1 71 1 1 6 CYS HA H -2.992 0.217 3.411 1.00 . A A . 6 CYS HA 1 1 1 72 1 1 6 CYS HB2 H -2.376 -1.849 1.304 1.00 . A A . 6 CYS HB2 1 1 1 73 1 1 6 CYS HB3 H -1.105 -0.792 1.915 1.00 . A A . 6 CYS HB3 1 1 1 74 1 1 6 CYS N N -4.411 -0.826 2.224 1.00 . A A . 6 CYS N 1 1 1 75 1 1 6 CYS O O -3.083 2.145 1.726 1.00 . A A . 6 CYS O 1 1 1 76 1 1 6 CYS SG S -1.894 -2.292 3.609 1.00 . A A . 6 CYS SG 1 1 1 77 1 1 7 ILE C C -3.801 2.587 -0.924 1.00 . A A . 7 ILE C 1 1 1 78 1 1 7 ILE CA C -2.557 1.704 -0.879 1.00 . A A . 7 ILE CA 1 1 1 79 1 1 7 ILE CB C -2.410 0.917 -2.173 1.00 . A A . 7 ILE CB 1 1 1 80 1 1 7 ILE CD1 C -1.257 -1.235 -1.679 1.00 . A A . 7 ILE CD1 1 1 1 81 1 1 7 ILE CG1 C -1.078 0.208 -2.152 1.00 . A A . 7 ILE CG1 1 1 1 82 1 1 7 ILE CG2 C -2.461 1.859 -3.375 1.00 . A A . 7 ILE CG2 1 1 1 83 1 1 7 ILE H H -2.597 -0.284 -0.083 1.00 . A A . 7 ILE H 1 1 1 84 1 1 7 ILE HA H -1.675 2.294 -0.700 1.00 . A A . 7 ILE HA 1 1 1 85 1 1 7 ILE HB H -3.195 0.192 -2.243 1.00 . A A . 7 ILE HB 1 1 1 86 1 1 7 ILE HD11 H -2.311 -1.462 -1.610 1.00 . A A . 7 ILE HD11 1 1 1 87 1 1 7 ILE HD12 H -0.799 -1.356 -0.708 1.00 . A A . 7 ILE HD12 1 1 1 88 1 1 7 ILE HD13 H -0.789 -1.907 -2.384 1.00 . A A . 7 ILE HD13 1 1 1 89 1 1 7 ILE HG12 H -0.664 0.211 -3.141 1.00 . A A . 7 ILE HG12 1 1 1 90 1 1 7 ILE HG13 H -0.424 0.730 -1.482 1.00 . A A . 7 ILE HG13 1 1 1 91 1 1 7 ILE HG21 H -3.038 1.402 -4.165 1.00 . A A . 7 ILE HG21 1 1 1 92 1 1 7 ILE HG22 H -1.456 2.046 -3.725 1.00 . A A . 7 ILE HG22 1 1 1 93 1 1 7 ILE HG23 H -2.922 2.790 -3.084 1.00 . A A . 7 ILE HG23 1 1 1 94 1 1 7 ILE N N -2.697 0.656 0.162 1.00 . A A . 7 ILE N 1 1 1 95 1 1 7 ILE O O -3.718 3.783 -1.100 1.00 . A A . 7 ILE O 1 1 1 96 1 1 8 TYR C C -5.988 4.077 0.075 1.00 . A A . 8 TYR C 1 1 1 97 1 1 8 TYR CA C -6.190 2.847 -0.803 1.00 . A A . 8 TYR CA 1 1 1 98 1 1 8 TYR CB C -7.302 1.967 -0.240 1.00 . A A . 8 TYR CB 1 1 1 99 1 1 8 TYR CD1 C -9.250 2.983 0.998 1.00 . A A . 8 TYR CD1 1 1 1 100 1 1 8 TYR CD2 C -9.128 3.254 -1.409 1.00 . A A . 8 TYR CD2 1 1 1 101 1 1 8 TYR CE1 C -10.445 3.713 1.020 1.00 . A A . 8 TYR CE1 1 1 1 102 1 1 8 TYR CE2 C -10.323 3.983 -1.388 1.00 . A A . 8 TYR CE2 1 1 1 103 1 1 8 TYR CG C -8.592 2.754 -0.216 1.00 . A A . 8 TYR CG 1 1 1 104 1 1 8 TYR CZ C -10.982 4.213 -0.174 1.00 . A A . 8 TYR CZ 1 1 1 105 1 1 8 TYR H H -5.014 1.049 -0.622 1.00 . A A . 8 TYR H 1 1 1 106 1 1 8 TYR HA H -6.424 3.135 -1.813 1.00 . A A . 8 TYR HA 1 1 1 107 1 1 8 TYR HB2 H -7.421 1.094 -0.865 1.00 . A A . 8 TYR HB2 1 1 1 108 1 1 8 TYR HB3 H -7.051 1.662 0.763 1.00 . A A . 8 TYR HB3 1 1 1 109 1 1 8 TYR HD1 H -8.836 2.598 1.918 1.00 . A A . 8 TYR HD1 1 1 1 110 1 1 8 TYR HD2 H -8.619 3.077 -2.346 1.00 . A A . 8 TYR HD2 1 1 1 111 1 1 8 TYR HE1 H -10.953 3.889 1.955 1.00 . A A . 8 TYR HE1 1 1 1 112 1 1 8 TYR HE2 H -10.737 4.369 -2.309 1.00 . A A . 8 TYR HE2 1 1 1 113 1 1 8 TYR HH H -12.021 5.712 0.391 1.00 . A A . 8 TYR HH 1 1 1 114 1 1 8 TYR N N -4.958 2.014 -0.767 1.00 . A A . 8 TYR N 1 1 1 115 1 1 8 TYR O O -5.844 5.182 -0.404 1.00 . A A . 8 TYR O 1 1 1 116 1 1 8 TYR OH O -12.160 4.932 -0.152 1.00 . A A . 8 TYR OH 1 1 1 117 1 1 9 ASN C C -4.415 5.696 2.062 1.00 . A A . 9 ASN C 1 1 1 118 1 1 9 ASN CA C -5.783 5.038 2.279 1.00 . A A . 9 ASN CA 1 1 1 119 1 1 9 ASN CB C -5.878 4.440 3.683 1.00 . A A . 9 ASN CB 1 1 1 120 1 1 9 ASN CG C -4.945 3.235 3.812 1.00 . A A . 9 ASN CG 1 1 1 121 1 1 9 ASN H H -6.094 2.990 1.722 1.00 . A A . 9 ASN H 1 1 1 122 1 1 9 ASN HA H -6.568 5.752 2.137 1.00 . A A . 9 ASN HA 1 1 1 123 1 1 9 ASN HB2 H -5.596 5.188 4.406 1.00 . A A . 9 ASN HB2 1 1 1 124 1 1 9 ASN HB3 H -6.893 4.124 3.867 1.00 . A A . 9 ASN HB3 1 1 1 125 1 1 9 ASN HD21 H -6.403 1.987 4.315 1.00 . A A . 9 ASN HD21 1 1 1 126 1 1 9 ASN HD22 H -4.854 1.297 4.234 1.00 . A A . 9 ASN HD22 1 1 1 127 1 1 9 ASN N N -5.974 3.889 1.360 1.00 . A A . 9 ASN N 1 1 1 128 1 1 9 ASN ND2 N -5.442 2.077 4.147 1.00 . A A . 9 ASN ND2 1 1 1 129 1 1 9 ASN O O -4.279 6.902 2.120 1.00 . A A . 9 ASN O 1 1 1 130 1 1 9 ASN OD1 O -3.752 3.347 3.615 1.00 . A A . 9 ASN OD1 1 1 1 131 1 1 10 CYS C C -1.969 6.317 0.357 1.00 . A A . 10 CYS C 1 1 1 132 1 1 10 CYS CA C -2.041 5.484 1.633 1.00 . A A . 10 CYS CA 1 1 1 133 1 1 10 CYS CB C -1.116 4.270 1.521 1.00 . A A . 10 CYS CB 1 1 1 134 1 1 10 CYS H H -3.529 3.950 1.805 1.00 . A A . 10 CYS H 1 1 1 135 1 1 10 CYS HA H -1.764 6.073 2.474 1.00 . A A . 10 CYS HA 1 1 1 136 1 1 10 CYS HB2 H -1.427 3.514 2.226 1.00 . A A . 10 CYS HB2 1 1 1 137 1 1 10 CYS HB3 H -1.166 3.870 0.519 1.00 . A A . 10 CYS HB3 1 1 1 138 1 1 10 CYS N N -3.400 4.914 1.831 1.00 . A A . 10 CYS N 1 1 1 139 1 1 10 CYS O O -1.441 7.411 0.341 1.00 . A A . 10 CYS O 1 1 1 140 1 1 10 CYS SG S 0.586 4.769 1.884 1.00 . A A . 10 CYS SG 1 1 1 141 1 1 11 MET C C -3.672 7.341 -2.253 1.00 . A A . 11 MET C 1 1 1 142 1 1 11 MET CA C -2.404 6.518 -2.006 1.00 . A A . 11 MET CA 1 1 1 143 1 1 11 MET CB C -2.256 5.411 -3.044 1.00 . A A . 11 MET CB 1 1 1 144 1 1 11 MET CE C 0.490 6.402 -2.865 1.00 . A A . 11 MET CE 1 1 1 145 1 1 11 MET CG C -1.268 4.344 -2.540 1.00 . A A . 11 MET CG 1 1 1 146 1 1 11 MET H H -2.860 4.896 -0.677 1.00 . A A . 11 MET H 1 1 1 147 1 1 11 MET HA H -1.539 7.147 -2.036 1.00 . A A . 11 MET HA 1 1 1 148 1 1 11 MET HB2 H -3.220 4.954 -3.210 1.00 . A A . 11 MET HB2 1 1 1 149 1 1 11 MET HB3 H -1.892 5.830 -3.965 1.00 . A A . 11 MET HB3 1 1 1 150 1 1 11 MET HE1 H -0.114 6.252 -3.747 1.00 . A A . 11 MET HE1 1 1 1 151 1 1 11 MET HE2 H 1.532 6.360 -3.134 1.00 . A A . 11 MET HE2 1 1 1 152 1 1 11 MET HE3 H 0.272 7.369 -2.432 1.00 . A A . 11 MET HE3 1 1 1 153 1 1 11 MET HG2 H -1.784 3.675 -1.872 1.00 . A A . 11 MET HG2 1 1 1 154 1 1 11 MET HG3 H -0.890 3.787 -3.378 1.00 . A A . 11 MET HG3 1 1 1 155 1 1 11 MET N N -2.467 5.791 -0.713 1.00 . A A . 11 MET N 1 1 1 156 1 1 11 MET O O -3.619 8.545 -2.406 1.00 . A A . 11 MET O 1 1 1 157 1 1 11 MET SD S 0.122 5.107 -1.656 1.00 . A A . 11 MET SD 1 1 1 158 1 1 12 ASN C C -6.100 8.746 -1.723 1.00 . A A . 12 ASN C 1 1 1 159 1 1 12 ASN CA C -6.074 7.458 -2.547 1.00 . A A . 12 ASN CA 1 1 1 160 1 1 12 ASN CB C -7.196 6.515 -2.110 1.00 . A A . 12 ASN CB 1 1 1 161 1 1 12 ASN CG C -8.508 6.945 -2.771 1.00 . A A . 12 ASN CG 1 1 1 162 1 1 12 ASN H H -4.826 5.735 -2.181 1.00 . A A . 12 ASN H 1 1 1 163 1 1 12 ASN HA H -6.175 7.685 -3.593 1.00 . A A . 12 ASN HA 1 1 1 164 1 1 12 ASN HB2 H -6.955 5.506 -2.409 1.00 . A A . 12 ASN HB2 1 1 1 165 1 1 12 ASN HB3 H -7.306 6.558 -1.038 1.00 . A A . 12 ASN HB3 1 1 1 166 1 1 12 ASN HD21 H -9.558 6.829 -1.091 1.00 . A A . 12 ASN HD21 1 1 1 167 1 1 12 ASN HD22 H -10.434 7.311 -2.462 1.00 . A A . 12 ASN HD22 1 1 1 168 1 1 12 ASN N N -4.807 6.705 -2.300 1.00 . A A . 12 ASN N 1 1 1 169 1 1 12 ASN ND2 N -9.590 7.036 -2.048 1.00 . A A . 12 ASN ND2 1 1 1 170 1 1 12 ASN O O -6.166 9.834 -2.256 1.00 . A A . 12 ASN O 1 1 1 171 1 1 12 ASN OD1 O -8.548 7.204 -3.958 1.00 . A A . 12 ASN OD1 1 1 1 172 1 1 13 SER C C -6.006 9.453 1.912 1.00 . A A . 13 SER C 1 1 1 173 1 1 13 SER CA C -6.065 9.845 0.434 1.00 . A A . 13 SER CA 1 1 1 174 1 1 13 SER CB C -7.387 10.545 0.118 1.00 . A A . 13 SER CB 1 1 1 175 1 1 13 SER H H -5.988 7.749 -0.019 1.00 . A A . 13 SER H 1 1 1 176 1 1 13 SER HA H -5.241 10.484 0.184 1.00 . A A . 13 SER HA 1 1 1 177 1 1 13 SER HB2 H -7.506 11.399 0.763 1.00 . A A . 13 SER HB2 1 1 1 178 1 1 13 SER HB3 H -7.384 10.874 -0.912 1.00 . A A . 13 SER HB3 1 1 1 179 1 1 13 SER HG H -8.140 8.751 0.202 1.00 . A A . 13 SER HG 1 1 1 180 1 1 13 SER N N -6.047 8.631 -0.426 1.00 . A A . 13 SER N 1 1 1 181 1 1 13 SER O O -7.018 9.340 2.577 1.00 . A A . 13 SER O 1 1 1 182 1 1 13 SER OG O -8.465 9.643 0.339 1.00 . A A . 13 SER OG 1 1 1 183 1 1 14 GLY C C -3.314 8.264 4.110 1.00 . A A . 14 GLY C 1 1 1 184 1 1 14 GLY CA C -4.700 8.860 3.858 1.00 . A A . 14 GLY CA 1 1 1 185 1 1 14 GLY H H -4.031 9.336 1.886 1.00 . A A . 14 GLY H 1 1 1 186 1 1 14 GLY HA2 H -4.839 9.732 4.479 1.00 . A A . 14 GLY HA2 1 1 1 187 1 1 14 GLY HA3 H -5.447 8.125 4.087 1.00 . A A . 14 GLY HA3 1 1 1 188 1 1 14 GLY N N -4.828 9.243 2.432 1.00 . A A . 14 GLY N 1 1 1 189 1 1 14 GLY O O -3.158 7.339 4.882 1.00 . A A . 14 GLY O 1 1 1 190 1 1 15 GLY C C 0.051 9.393 3.868 1.00 . A A . 15 GLY C 1 1 1 191 1 1 15 GLY CA C -0.937 8.241 3.669 1.00 . A A . 15 GLY CA 1 1 1 192 1 1 15 GLY H H -2.455 9.528 2.846 1.00 . A A . 15 GLY H 1 1 1 193 1 1 15 GLY HA2 H -0.930 7.604 4.544 1.00 . A A . 15 GLY HA2 1 1 1 194 1 1 15 GLY HA3 H -0.644 7.667 2.802 1.00 . A A . 15 GLY HA3 1 1 1 195 1 1 15 GLY N N -2.308 8.784 3.465 1.00 . A A . 15 GLY N 1 1 1 196 1 1 15 GLY O O 0.731 9.472 4.872 1.00 . A A . 15 GLY O 1 1 1 197 1 1 16 GLY C C 2.501 10.966 2.763 1.00 . A A . 16 GLY C 1 1 1 198 1 1 16 GLY CA C 1.072 11.429 3.055 1.00 . A A . 16 GLY CA 1 1 1 199 1 1 16 GLY H H -0.421 10.211 2.128 1.00 . A A . 16 GLY H 1 1 1 200 1 1 16 GLY HA2 H 0.793 12.206 2.354 1.00 . A A . 16 GLY HA2 1 1 1 201 1 1 16 GLY HA3 H 1.015 11.810 4.057 1.00 . A A . 16 GLY HA3 1 1 1 202 1 1 16 GLY N N 0.134 10.288 2.922 1.00 . A A . 16 GLY N 1 1 1 203 1 1 16 GLY O O 3.461 11.590 3.170 1.00 . A A . 16 GLY O 1 1 1 204 1 1 17 LEU C C 4.143 9.111 0.228 1.00 . A A . 17 LEU C 1 1 1 205 1 1 17 LEU CA C 4.019 9.382 1.735 1.00 . A A . 17 LEU CA 1 1 1 206 1 1 17 LEU CB C 4.182 8.109 2.557 1.00 . A A . 17 LEU CB 1 1 1 207 1 1 17 LEU CD1 C 3.398 5.811 2.107 1.00 . A A . 17 LEU CD1 1 1 1 208 1 1 17 LEU CD2 C 2.127 7.256 3.681 1.00 . A A . 17 LEU CD2 1 1 1 209 1 1 17 LEU CG C 2.949 7.234 2.392 1.00 . A A . 17 LEU CG 1 1 1 210 1 1 17 LEU H H 1.866 9.390 1.733 1.00 . A A . 17 LEU H 1 1 1 211 1 1 17 LEU HA H 4.755 10.094 2.041 1.00 . A A . 17 LEU HA 1 1 1 212 1 1 17 LEU HB2 H 5.055 7.571 2.215 1.00 . A A . 17 LEU HB2 1 1 1 213 1 1 17 LEU HB3 H 4.303 8.366 3.598 1.00 . A A . 17 LEU HB3 1 1 1 214 1 1 17 LEU HD11 H 3.051 5.517 1.130 1.00 . A A . 17 LEU HD11 1 1 1 215 1 1 17 LEU HD12 H 2.991 5.152 2.855 1.00 . A A . 17 LEU HD12 1 1 1 216 1 1 17 LEU HD13 H 4.478 5.769 2.135 1.00 . A A . 17 LEU HD13 1 1 1 217 1 1 17 LEU HD21 H 2.449 6.452 4.326 1.00 . A A . 17 LEU HD21 1 1 1 218 1 1 17 LEU HD22 H 1.083 7.127 3.442 1.00 . A A . 17 LEU HD22 1 1 1 219 1 1 17 LEU HD23 H 2.269 8.202 4.183 1.00 . A A . 17 LEU HD23 1 1 1 220 1 1 17 LEU HG H 2.351 7.598 1.569 1.00 . A A . 17 LEU HG 1 1 1 221 1 1 17 LEU N N 2.652 9.878 2.057 1.00 . A A . 17 LEU N 1 1 1 222 1 1 17 LEU O O 4.120 10.023 -0.572 1.00 . A A . 17 LEU O 1 1 1 223 1 1 18 SER C C 3.576 6.346 -1.992 1.00 . A A . 18 SER C 1 1 1 224 1 1 18 SER CA C 4.403 7.576 -1.625 1.00 . A A . 18 SER CA 1 1 1 225 1 1 18 SER CB C 5.887 7.303 -1.842 1.00 . A A . 18 SER CB 1 1 1 226 1 1 18 SER H H 4.298 7.149 0.476 1.00 . A A . 18 SER H 1 1 1 227 1 1 18 SER HA H 4.097 8.422 -2.217 1.00 . A A . 18 SER HA 1 1 1 228 1 1 18 SER HB2 H 6.348 7.048 -0.905 1.00 . A A . 18 SER HB2 1 1 1 229 1 1 18 SER HB3 H 6.003 6.479 -2.532 1.00 . A A . 18 SER HB3 1 1 1 230 1 1 18 SER HG H 6.753 9.032 -1.629 1.00 . A A . 18 SER HG 1 1 1 231 1 1 18 SER N N 4.276 7.876 -0.171 1.00 . A A . 18 SER N 1 1 1 232 1 1 18 SER O O 2.772 5.865 -1.219 1.00 . A A . 18 SER O 1 1 1 233 1 1 18 SER OG O 6.507 8.469 -2.367 1.00 . A A . 18 SER OG 1 1 1 234 1 1 19 PHE C C 3.858 3.391 -3.369 1.00 . A A . 19 PHE C 1 1 1 235 1 1 19 PHE CA C 3.023 4.636 -3.619 1.00 . A A . 19 PHE CA 1 1 1 236 1 1 19 PHE CB C 2.827 4.856 -5.117 1.00 . A A . 19 PHE CB 1 1 1 237 1 1 19 PHE CD1 C 3.336 2.936 -6.655 1.00 . A A . 19 PHE CD1 1 1 1 238 1 1 19 PHE CD2 C 1.197 2.977 -5.514 1.00 . A A . 19 PHE CD2 1 1 1 239 1 1 19 PHE CE1 C 2.987 1.731 -7.271 1.00 . A A . 19 PHE CE1 1 1 1 240 1 1 19 PHE CE2 C 0.847 1.770 -6.130 1.00 . A A . 19 PHE CE2 1 1 1 241 1 1 19 PHE CG C 2.442 3.558 -5.779 1.00 . A A . 19 PHE CG 1 1 1 242 1 1 19 PHE CZ C 1.743 1.147 -7.008 1.00 . A A . 19 PHE CZ 1 1 1 243 1 1 19 PHE H H 4.437 6.249 -3.769 1.00 . A A . 19 PHE H 1 1 1 244 1 1 19 PHE HA H 2.072 4.565 -3.122 1.00 . A A . 19 PHE HA 1 1 1 245 1 1 19 PHE HB2 H 2.051 5.585 -5.274 1.00 . A A . 19 PHE HB2 1 1 1 246 1 1 19 PHE HB3 H 3.752 5.216 -5.549 1.00 . A A . 19 PHE HB3 1 1 1 247 1 1 19 PHE HD1 H 4.296 3.387 -6.856 1.00 . A A . 19 PHE HD1 1 1 1 248 1 1 19 PHE HD2 H 0.507 3.459 -4.837 1.00 . A A . 19 PHE HD2 1 1 1 249 1 1 19 PHE HE1 H 3.680 1.251 -7.947 1.00 . A A . 19 PHE HE1 1 1 1 250 1 1 19 PHE HE2 H -0.112 1.319 -5.926 1.00 . A A . 19 PHE HE2 1 1 1 251 1 1 19 PHE HZ H 1.473 0.216 -7.483 1.00 . A A . 19 PHE HZ 1 1 1 252 1 1 19 PHE N N 3.778 5.838 -3.171 1.00 . A A . 19 PHE N 1 1 1 253 1 1 19 PHE O O 3.490 2.509 -2.618 1.00 . A A . 19 PHE O 1 1 1 254 1 1 20 ILE C C 6.147 1.942 -2.311 1.00 . A A . 20 ILE C 1 1 1 255 1 1 20 ILE CA C 5.884 2.151 -3.804 1.00 . A A . 20 ILE CA 1 1 1 256 1 1 20 ILE CB C 7.172 2.506 -4.546 1.00 . A A . 20 ILE CB 1 1 1 257 1 1 20 ILE CD1 C 9.050 4.143 -4.581 1.00 . A A . 20 ILE CD1 1 1 1 258 1 1 20 ILE CG1 C 7.581 3.942 -4.217 1.00 . A A . 20 ILE CG1 1 1 1 259 1 1 20 ILE CG2 C 6.944 2.379 -6.053 1.00 . A A . 20 ILE CG2 1 1 1 260 1 1 20 ILE H H 5.254 4.062 -4.584 1.00 . A A . 20 ILE H 1 1 1 261 1 1 20 ILE HA H 5.441 1.269 -4.235 1.00 . A A . 20 ILE HA 1 1 1 262 1 1 20 ILE HB H 7.957 1.829 -4.244 1.00 . A A . 20 ILE HB 1 1 1 263 1 1 20 ILE HD11 H 9.211 3.831 -5.603 1.00 . A A . 20 ILE HD11 1 1 1 264 1 1 20 ILE HD12 H 9.667 3.550 -3.923 1.00 . A A . 20 ILE HD12 1 1 1 265 1 1 20 ILE HD13 H 9.307 5.185 -4.478 1.00 . A A . 20 ILE HD13 1 1 1 266 1 1 20 ILE HG12 H 6.974 4.630 -4.787 1.00 . A A . 20 ILE HG12 1 1 1 267 1 1 20 ILE HG13 H 7.443 4.126 -3.162 1.00 . A A . 20 ILE HG13 1 1 1 268 1 1 20 ILE HG21 H 7.488 3.160 -6.566 1.00 . A A . 20 ILE HG21 1 1 1 269 1 1 20 ILE HG22 H 5.890 2.477 -6.268 1.00 . A A . 20 ILE HG22 1 1 1 270 1 1 20 ILE HG23 H 7.293 1.416 -6.392 1.00 . A A . 20 ILE HG23 1 1 1 271 1 1 20 ILE N N 4.990 3.327 -3.994 1.00 . A A . 20 ILE N 1 1 1 272 1 1 20 ILE O O 6.530 0.872 -1.881 1.00 . A A . 20 ILE O 1 1 1 273 1 1 21 GLN C C 4.930 2.144 0.598 1.00 . A A . 21 GLN C 1 1 1 274 1 1 21 GLN CA C 6.149 2.811 -0.047 1.00 . A A . 21 GLN CA 1 1 1 275 1 1 21 GLN CB C 6.317 4.239 0.471 1.00 . A A . 21 GLN CB 1 1 1 276 1 1 21 GLN CD C 7.971 6.111 0.483 1.00 . A A . 21 GLN CD 1 1 1 277 1 1 21 GLN CG C 7.409 4.946 -0.332 1.00 . A A . 21 GLN CG 1 1 1 278 1 1 21 GLN H H 5.610 3.805 -1.880 1.00 . A A . 21 GLN H 1 1 1 279 1 1 21 GLN HA H 7.042 2.239 0.148 1.00 . A A . 21 GLN HA 1 1 1 280 1 1 21 GLN HB2 H 5.384 4.774 0.363 1.00 . A A . 21 GLN HB2 1 1 1 281 1 1 21 GLN HB3 H 6.598 4.213 1.514 1.00 . A A . 21 GLN HB3 1 1 1 282 1 1 21 GLN HE21 H 9.859 5.706 0.023 1.00 . A A . 21 GLN HE21 1 1 1 283 1 1 21 GLN HE22 H 9.630 7.048 1.036 1.00 . A A . 21 GLN HE22 1 1 1 284 1 1 21 GLN HG2 H 8.202 4.246 -0.554 1.00 . A A . 21 GLN HG2 1 1 1 285 1 1 21 GLN HG3 H 6.991 5.322 -1.254 1.00 . A A . 21 GLN HG3 1 1 1 286 1 1 21 GLN N N 5.929 2.954 -1.514 1.00 . A A . 21 GLN N 1 1 1 287 1 1 21 GLN NE2 N 9.260 6.305 0.517 1.00 . A A . 21 GLN NE2 1 1 1 288 1 1 21 GLN O O 4.911 1.873 1.781 1.00 . A A . 21 GLN O 1 1 1 289 1 1 21 GLN OE1 O 7.229 6.854 1.095 1.00 . A A . 21 GLN OE1 1 1 1 290 1 1 22 CYS C C 2.241 0.097 -0.553 1.00 . A A . 22 CYS C 1 1 1 291 1 1 22 CYS CA C 2.696 1.226 0.376 1.00 . A A . 22 CYS CA 1 1 1 292 1 1 22 CYS CB C 1.641 2.330 0.432 1.00 . A A . 22 CYS CB 1 1 1 293 1 1 22 CYS H H 3.951 2.106 -1.128 1.00 . A A . 22 CYS H 1 1 1 294 1 1 22 CYS HA H 2.888 0.847 1.367 1.00 . A A . 22 CYS HA 1 1 1 295 1 1 22 CYS HB2 H 1.895 3.107 -0.276 1.00 . A A . 22 CYS HB2 1 1 1 296 1 1 22 CYS HB3 H 0.675 1.916 0.180 1.00 . A A . 22 CYS HB3 1 1 1 297 1 1 22 CYS N N 3.914 1.878 -0.178 1.00 . A A . 22 CYS N 1 1 1 298 1 1 22 CYS O O 1.840 -0.959 -0.108 1.00 . A A . 22 CYS O 1 1 1 299 1 1 22 CYS SG S 1.584 3.026 2.103 1.00 . A A . 22 CYS SG 1 1 1 300 1 1 23 LYS C C 2.677 -2.032 -2.548 1.00 . A A . 23 LYS C 1 1 1 301 1 1 23 LYS CA C 1.873 -0.754 -2.793 1.00 . A A . 23 LYS CA 1 1 1 302 1 1 23 LYS CB C 2.158 -0.186 -4.184 1.00 . A A . 23 LYS CB 1 1 1 303 1 1 23 LYS CD C 4.013 -1.529 -5.192 1.00 . A A . 23 LYS CD 1 1 1 304 1 1 23 LYS CE C 3.331 -1.553 -6.562 1.00 . A A . 23 LYS CE 1 1 1 305 1 1 23 LYS CG C 3.661 -0.231 -4.465 1.00 . A A . 23 LYS CG 1 1 1 306 1 1 23 LYS H H 2.629 1.171 -2.185 1.00 . A A . 23 LYS H 1 1 1 307 1 1 23 LYS HA H 0.819 -0.950 -2.689 1.00 . A A . 23 LYS HA 1 1 1 308 1 1 23 LYS HB2 H 1.635 -0.770 -4.927 1.00 . A A . 23 LYS HB2 1 1 1 309 1 1 23 LYS HB3 H 1.820 0.838 -4.227 1.00 . A A . 23 LYS HB3 1 1 1 310 1 1 23 LYS HD2 H 5.084 -1.587 -5.321 1.00 . A A . 23 LYS HD2 1 1 1 311 1 1 23 LYS HD3 H 3.675 -2.373 -4.610 1.00 . A A . 23 LYS HD3 1 1 1 312 1 1 23 LYS HE2 H 2.320 -1.928 -6.470 1.00 . A A . 23 LYS HE2 1 1 1 313 1 1 23 LYS HE3 H 3.330 -0.568 -6.998 1.00 . A A . 23 LYS HE3 1 1 1 314 1 1 23 LYS HG2 H 3.933 0.612 -5.085 1.00 . A A . 23 LYS HG2 1 1 1 315 1 1 23 LYS HG3 H 4.204 -0.183 -3.533 1.00 . A A . 23 LYS HG3 1 1 1 316 1 1 23 LYS HZ1 H 5.001 -1.973 -7.731 1.00 . A A . 23 LYS HZ1 1 1 1 317 1 1 23 LYS HZ2 H 3.599 -2.812 -8.198 1.00 . A A . 23 LYS HZ2 1 1 1 318 1 1 23 LYS HZ3 H 4.455 -3.288 -6.810 1.00 . A A . 23 LYS HZ3 1 1 1 319 1 1 23 LYS N N 2.301 0.312 -1.842 1.00 . A A . 23 LYS N 1 1 1 320 1 1 23 LYS NZ N 4.159 -2.476 -7.387 1.00 . A A . 23 LYS NZ 1 1 1 321 1 1 23 LYS O O 2.270 -3.115 -2.919 1.00 . A A . 23 LYS O 1 1 1 322 1 1 24 THR C C 4.935 -3.250 -0.163 1.00 . A A . 24 THR C 1 1 1 323 1 1 24 THR CA C 4.650 -3.125 -1.660 1.00 . A A . 24 THR CA 1 1 1 324 1 1 24 THR CB C 5.950 -2.903 -2.436 1.00 . A A . 24 THR CB 1 1 1 325 1 1 24 THR CG2 C 6.136 -4.031 -3.453 1.00 . A A . 24 THR CG2 1 1 1 326 1 1 24 THR H H 4.131 -1.033 -1.636 1.00 . A A . 24 THR H 1 1 1 327 1 1 24 THR HA H 4.152 -4.008 -2.021 1.00 . A A . 24 THR HA 1 1 1 328 1 1 24 THR HB H 6.782 -2.904 -1.751 1.00 . A A . 24 THR HB 1 1 1 329 1 1 24 THR HG1 H 6.529 -1.682 -3.837 1.00 . A A . 24 THR HG1 1 1 1 330 1 1 24 THR HG21 H 5.320 -4.732 -3.367 1.00 . A A . 24 THR HG21 1 1 1 331 1 1 24 THR HG22 H 7.070 -4.538 -3.261 1.00 . A A . 24 THR HG22 1 1 1 332 1 1 24 THR HG23 H 6.150 -3.616 -4.450 1.00 . A A . 24 THR HG23 1 1 1 333 1 1 24 THR N N 3.819 -1.915 -1.926 1.00 . A A . 24 THR N 1 1 1 334 1 1 24 THR O O 4.866 -4.321 0.405 1.00 . A A . 24 THR O 1 1 1 335 1 1 24 THR OG1 O 5.896 -1.655 -3.115 1.00 . A A . 24 THR OG1 1 1 1 336 1 1 25 MET C C 4.449 -2.981 2.666 1.00 . A A . 25 MET C 1 1 1 337 1 1 25 MET CA C 5.551 -2.216 1.935 1.00 . A A . 25 MET CA 1 1 1 338 1 1 25 MET CB C 5.577 -0.757 2.387 1.00 . A A . 25 MET CB 1 1 1 339 1 1 25 MET CE C 7.655 1.286 4.253 1.00 . A A . 25 MET CE 1 1 1 340 1 1 25 MET CG C 6.937 -0.142 2.059 1.00 . A A . 25 MET CG 1 1 1 341 1 1 25 MET H H 5.308 -1.314 -0.001 1.00 . A A . 25 MET H 1 1 1 342 1 1 25 MET HA H 6.506 -2.671 2.105 1.00 . A A . 25 MET HA 1 1 1 343 1 1 25 MET HB2 H 4.799 -0.210 1.875 1.00 . A A . 25 MET HB2 1 1 1 344 1 1 25 MET HB3 H 5.410 -0.708 3.453 1.00 . A A . 25 MET HB3 1 1 1 345 1 1 25 MET HE1 H 7.996 1.281 5.280 1.00 . A A . 25 MET HE1 1 1 1 346 1 1 25 MET HE2 H 6.590 1.451 4.230 1.00 . A A . 25 MET HE2 1 1 1 347 1 1 25 MET HE3 H 8.153 2.074 3.705 1.00 . A A . 25 MET HE3 1 1 1 348 1 1 25 MET HG2 H 7.369 -0.653 1.210 1.00 . A A . 25 MET HG2 1 1 1 349 1 1 25 MET HG3 H 6.812 0.904 1.823 1.00 . A A . 25 MET HG3 1 1 1 350 1 1 25 MET N N 5.258 -2.163 0.478 1.00 . A A . 25 MET N 1 1 1 351 1 1 25 MET O O 4.701 -3.947 3.359 1.00 . A A . 25 MET O 1 1 1 352 1 1 25 MET SD S 8.036 -0.310 3.488 1.00 . A A . 25 MET SD 1 1 1 353 1 1 26 CYS C C 2.274 -4.766 3.103 1.00 . A A . 26 CYS C 1 1 1 354 1 1 26 CYS CA C 2.100 -3.248 3.199 1.00 . A A . 26 CYS CA 1 1 1 355 1 1 26 CYS CB C 0.849 -2.802 2.442 1.00 . A A . 26 CYS CB 1 1 1 356 1 1 26 CYS H H 3.055 -1.771 1.951 1.00 . A A . 26 CYS H 1 1 1 357 1 1 26 CYS HA H 2.036 -2.940 4.230 1.00 . A A . 26 CYS HA 1 1 1 358 1 1 26 CYS HB2 H 0.690 -1.745 2.602 1.00 . A A . 26 CYS HB2 1 1 1 359 1 1 26 CYS HB3 H 0.979 -2.992 1.387 1.00 . A A . 26 CYS HB3 1 1 1 360 1 1 26 CYS N N 3.229 -2.553 2.515 1.00 . A A . 26 CYS N 1 1 1 361 1 1 26 CYS O O 2.554 -5.303 2.049 1.00 . A A . 26 CYS O 1 1 1 362 1 1 26 CYS SG S -0.584 -3.725 3.051 1.00 . A A . 26 CYS SG 1 1 1 363 1 1 27 TYR C C 0.924 -7.617 3.863 1.00 . A A . 27 TYR C 1 1 1 364 1 1 27 TYR CA C 2.268 -6.946 4.160 1.00 . A A . 27 TYR CA 1 1 1 365 1 1 27 TYR CB C 2.761 -7.325 5.558 1.00 . A A . 27 TYR CB 1 1 1 366 1 1 27 TYR CD1 C 4.460 -9.183 5.650 1.00 . A A . 27 TYR CD1 1 1 1 367 1 1 27 TYR CD2 C 2.107 -9.759 5.541 1.00 . A A . 27 TYR CD2 1 1 1 368 1 1 27 TYR CE1 C 4.793 -10.542 5.676 1.00 . A A . 27 TYR CE1 1 1 1 369 1 1 27 TYR CE2 C 2.440 -11.119 5.566 1.00 . A A . 27 TYR CE2 1 1 1 370 1 1 27 TYR CG C 3.118 -8.791 5.585 1.00 . A A . 27 TYR CG 1 1 1 371 1 1 27 TYR CZ C 3.782 -11.510 5.631 1.00 . A A . 27 TYR CZ 1 1 1 372 1 1 27 TYR H H 1.885 -5.013 5.034 1.00 . A A . 27 TYR H 1 1 1 373 1 1 27 TYR HA H 3.002 -7.229 3.423 1.00 . A A . 27 TYR HA 1 1 1 374 1 1 27 TYR HB2 H 3.634 -6.737 5.802 1.00 . A A . 27 TYR HB2 1 1 1 375 1 1 27 TYR HB3 H 1.980 -7.132 6.280 1.00 . A A . 27 TYR HB3 1 1 1 376 1 1 27 TYR HD1 H 5.240 -8.437 5.684 1.00 . A A . 27 TYR HD1 1 1 1 377 1 1 27 TYR HD2 H 1.071 -9.458 5.489 1.00 . A A . 27 TYR HD2 1 1 1 378 1 1 27 TYR HE1 H 5.828 -10.844 5.727 1.00 . A A . 27 TYR HE1 1 1 1 379 1 1 27 TYR HE2 H 1.660 -11.866 5.532 1.00 . A A . 27 TYR HE2 1 1 1 380 1 1 27 TYR HH H 4.246 -13.106 6.572 1.00 . A A . 27 TYR HH 1 1 1 381 1 1 27 TYR N N 2.110 -5.463 4.194 1.00 . A A . 27 TYR N 1 1 1 382 1 1 27 TYR O O 0.895 -8.482 3.004 1.00 . A A . 27 TYR O 1 1 1 383 1 1 27 TYR OXT O -0.051 -7.255 4.500 1.00 . A A . 27 TYR OXT 1 1 1 384 1 1 27 TYR OH O 4.109 -12.850 5.656 1.00 . A A . 27 TYR OH 1 1 2 385 1 1 1 GLY C C -4.656 -8.795 1.350 1.00 . A A . 1 GLY C 1 1 2 386 1 1 1 GLY CA C -5.131 -9.545 0.104 1.00 . A A . 1 GLY CA 1 1 2 387 1 1 1 GLY H1 H -7.086 -9.283 0.772 1.00 . A A . 1 GLY H1 1 1 2 388 1 1 1 GLY H2 H -6.970 -9.968 -0.778 1.00 . A A . 1 GLY H2 1 1 2 389 1 1 1 GLY H3 H -6.674 -8.310 -0.555 1.00 . A A . 1 GLY H3 1 1 2 390 1 1 1 GLY HA2 H -4.998 -10.607 0.248 1.00 . A A . 1 GLY HA2 1 1 2 391 1 1 1 GLY HA3 H -4.554 -9.221 -0.748 1.00 . A A . 1 GLY HA3 1 1 2 392 1 1 1 GLY N N -6.575 -9.255 -0.132 1.00 . A A . 1 GLY N 1 1 2 393 1 1 1 GLY O O -5.172 -8.985 2.434 1.00 . A A . 1 GLY O 1 1 2 394 1 1 2 GLY C C -2.665 -5.815 1.934 1.00 . A A . 2 GLY C 1 1 2 395 1 1 2 GLY CA C -3.172 -7.186 2.385 1.00 . A A . 2 GLY CA 1 1 2 396 1 1 2 GLY H H -3.275 -7.805 0.324 1.00 . A A . 2 GLY H 1 1 2 397 1 1 2 GLY HA2 H -3.972 -7.057 3.100 1.00 . A A . 2 GLY HA2 1 1 2 398 1 1 2 GLY HA3 H -2.362 -7.731 2.845 1.00 . A A . 2 GLY HA3 1 1 2 399 1 1 2 GLY N N -3.677 -7.944 1.207 1.00 . A A . 2 GLY N 1 1 2 400 1 1 2 GLY O O -1.969 -5.131 2.657 1.00 . A A . 2 GLY O 1 1 2 401 1 1 3 LEU C C -3.744 -3.205 -0.121 1.00 . A A . 3 LEU C 1 1 2 402 1 1 3 LEU CA C -2.545 -4.079 0.248 1.00 . A A . 3 LEU CA 1 1 2 403 1 1 3 LEU CB C -1.701 -4.391 -0.989 1.00 . A A . 3 LEU CB 1 1 2 404 1 1 3 LEU CD1 C 0.285 -3.653 0.337 1.00 . A A . 3 LEU CD1 1 1 2 405 1 1 3 LEU CD2 C -0.300 -6.078 0.207 1.00 . A A . 3 LEU CD2 1 1 2 406 1 1 3 LEU CG C -0.278 -4.755 -0.562 1.00 . A A . 3 LEU CG 1 1 2 407 1 1 3 LEU H H -3.572 -5.971 0.174 1.00 . A A . 3 LEU H 1 1 2 408 1 1 3 LEU HA H -1.941 -3.589 0.993 1.00 . A A . 3 LEU HA 1 1 2 409 1 1 3 LEU HB2 H -2.141 -5.221 -1.524 1.00 . A A . 3 LEU HB2 1 1 2 410 1 1 3 LEU HB3 H -1.672 -3.525 -1.633 1.00 . A A . 3 LEU HB3 1 1 2 411 1 1 3 LEU HD11 H 0.010 -2.688 -0.060 1.00 . A A . 3 LEU HD11 1 1 2 412 1 1 3 LEU HD12 H 1.361 -3.734 0.375 1.00 . A A . 3 LEU HD12 1 1 2 413 1 1 3 LEU HD13 H -0.118 -3.760 1.333 1.00 . A A . 3 LEU HD13 1 1 2 414 1 1 3 LEU HD21 H -0.325 -5.875 1.269 1.00 . A A . 3 LEU HD21 1 1 2 415 1 1 3 LEU HD22 H 0.585 -6.647 -0.030 1.00 . A A . 3 LEU HD22 1 1 2 416 1 1 3 LEU HD23 H -1.177 -6.642 -0.072 1.00 . A A . 3 LEU HD23 1 1 2 417 1 1 3 LEU HG H 0.346 -4.857 -1.439 1.00 . A A . 3 LEU HG 1 1 2 418 1 1 3 LEU N N -3.009 -5.406 0.743 1.00 . A A . 3 LEU N 1 1 2 419 1 1 3 LEU O O -3.675 -1.992 -0.079 1.00 . A A . 3 LEU O 1 1 2 420 1 1 4 GLY C C -6.231 -1.876 0.161 1.00 . A A . 4 GLY C 1 1 2 421 1 1 4 GLY CA C -6.042 -3.010 -0.847 1.00 . A A . 4 GLY CA 1 1 2 422 1 1 4 GLY H H -4.877 -4.786 -0.507 1.00 . A A . 4 GLY H 1 1 2 423 1 1 4 GLY HA2 H -5.905 -2.597 -1.834 1.00 . A A . 4 GLY HA2 1 1 2 424 1 1 4 GLY HA3 H -6.916 -3.646 -0.837 1.00 . A A . 4 GLY HA3 1 1 2 425 1 1 4 GLY N N -4.842 -3.808 -0.479 1.00 . A A . 4 GLY N 1 1 2 426 1 1 4 GLY O O -5.962 -0.725 -0.122 1.00 . A A . 4 GLY O 1 1 2 427 1 1 5 ARG C C -5.622 -0.315 2.536 1.00 . A A . 5 ARG C 1 1 2 428 1 1 5 ARG CA C -6.897 -1.139 2.371 1.00 . A A . 5 ARG CA 1 1 2 429 1 1 5 ARG CB C -7.218 -1.898 3.658 1.00 . A A . 5 ARG CB 1 1 2 430 1 1 5 ARG CD C -9.557 -1.946 2.773 1.00 . A A . 5 ARG CD 1 1 2 431 1 1 5 ARG CG C -8.456 -2.772 3.442 1.00 . A A . 5 ARG CG 1 1 2 432 1 1 5 ARG CZ C -9.378 -1.120 0.501 1.00 . A A . 5 ARG CZ 1 1 2 433 1 1 5 ARG H H -6.899 -3.129 1.542 1.00 . A A . 5 ARG H 1 1 2 434 1 1 5 ARG HA H -7.721 -0.504 2.101 1.00 . A A . 5 ARG HA 1 1 2 435 1 1 5 ARG HB2 H -6.378 -2.522 3.927 1.00 . A A . 5 ARG HB2 1 1 2 436 1 1 5 ARG HB3 H -7.411 -1.193 4.452 1.00 . A A . 5 ARG HB3 1 1 2 437 1 1 5 ARG HD2 H -10.531 -2.307 3.075 1.00 . A A . 5 ARG HD2 1 1 2 438 1 1 5 ARG HD3 H -9.448 -0.902 3.023 1.00 . A A . 5 ARG HD3 1 1 2 439 1 1 5 ARG HE H -9.211 -3.046 0.955 1.00 . A A . 5 ARG HE 1 1 2 440 1 1 5 ARG HG2 H -8.198 -3.610 2.810 1.00 . A A . 5 ARG HG2 1 1 2 441 1 1 5 ARG HG3 H -8.810 -3.136 4.395 1.00 . A A . 5 ARG HG3 1 1 2 442 1 1 5 ARG HH11 H -10.479 0.020 1.723 1.00 . A A . 5 ARG HH11 1 1 2 443 1 1 5 ARG HH12 H -10.030 0.750 0.219 1.00 . A A . 5 ARG HH12 1 1 2 444 1 1 5 ARG HH21 H -8.287 -2.020 -0.918 1.00 . A A . 5 ARG HH21 1 1 2 445 1 1 5 ARG HH22 H -8.782 -0.398 -1.270 1.00 . A A . 5 ARG HH22 1 1 2 446 1 1 5 ARG N N -6.691 -2.195 1.338 1.00 . A A . 5 ARG N 1 1 2 447 1 1 5 ARG NE N -9.356 -2.145 1.310 1.00 . A A . 5 ARG NE 1 1 2 448 1 1 5 ARG NH1 N -10.011 -0.032 0.842 1.00 . A A . 5 ARG NH1 1 1 2 449 1 1 5 ARG NH2 N -8.768 -1.186 -0.653 1.00 . A A . 5 ARG NH2 1 1 2 450 1 1 5 ARG O O -5.650 0.899 2.563 1.00 . A A . 5 ARG O 1 1 2 451 1 1 6 CYS C C -3.178 0.928 1.788 1.00 . A A . 6 CYS C 1 1 2 452 1 1 6 CYS CA C -3.224 -0.225 2.791 1.00 . A A . 6 CYS CA 1 1 2 453 1 1 6 CYS CB C -2.137 -1.252 2.482 1.00 . A A . 6 CYS CB 1 1 2 454 1 1 6 CYS H H -4.503 -1.945 2.611 1.00 . A A . 6 CYS H 1 1 2 455 1 1 6 CYS HA H -3.113 0.143 3.798 1.00 . A A . 6 CYS HA 1 1 2 456 1 1 6 CYS HB2 H -2.355 -1.735 1.541 1.00 . A A . 6 CYS HB2 1 1 2 457 1 1 6 CYS HB3 H -1.182 -0.756 2.419 1.00 . A A . 6 CYS HB3 1 1 2 458 1 1 6 CYS N N -4.503 -0.968 2.640 1.00 . A A . 6 CYS N 1 1 2 459 1 1 6 CYS O O -3.473 2.061 2.113 1.00 . A A . 6 CYS O 1 1 2 460 1 1 6 CYS SG S -2.089 -2.491 3.799 1.00 . A A . 6 CYS SG 1 1 2 461 1 1 7 ILE C C -4.028 2.559 -0.430 1.00 . A A . 7 ILE C 1 1 2 462 1 1 7 ILE CA C -2.760 1.708 -0.464 1.00 . A A . 7 ILE CA 1 1 2 463 1 1 7 ILE CB C -2.659 0.941 -1.776 1.00 . A A . 7 ILE CB 1 1 2 464 1 1 7 ILE CD1 C -1.423 -1.204 -1.478 1.00 . A A . 7 ILE CD1 1 1 2 465 1 1 7 ILE CG1 C -1.297 0.274 -1.850 1.00 . A A . 7 ILE CG1 1 1 2 466 1 1 7 ILE CG2 C -2.832 1.892 -2.959 1.00 . A A . 7 ILE CG2 1 1 2 467 1 1 7 ILE H H -2.588 -0.277 0.328 1.00 . A A . 7 ILE H 1 1 2 468 1 1 7 ILE HA H -1.886 2.322 -0.324 1.00 . A A . 7 ILE HA 1 1 2 469 1 1 7 ILE HB H -3.421 0.187 -1.804 1.00 . A A . 7 ILE HB 1 1 2 470 1 1 7 ILE HD11 H -1.234 -1.325 -0.422 1.00 . A A . 7 ILE HD11 1 1 2 471 1 1 7 ILE HD12 H -0.703 -1.779 -2.040 1.00 . A A . 7 ILE HD12 1 1 2 472 1 1 7 ILE HD13 H -2.419 -1.549 -1.708 1.00 . A A . 7 ILE HD13 1 1 2 473 1 1 7 ILE HG12 H -0.913 0.361 -2.850 1.00 . A A . 7 ILE HG12 1 1 2 474 1 1 7 ILE HG13 H -0.636 0.762 -1.162 1.00 . A A . 7 ILE HG13 1 1 2 475 1 1 7 ILE HG21 H -3.160 2.856 -2.600 1.00 . A A . 7 ILE HG21 1 1 2 476 1 1 7 ILE HG22 H -3.568 1.491 -3.639 1.00 . A A . 7 ILE HG22 1 1 2 477 1 1 7 ILE HG23 H -1.889 2.000 -3.473 1.00 . A A . 7 ILE HG23 1 1 2 478 1 1 7 ILE N N -2.818 0.643 0.569 1.00 . A A . 7 ILE N 1 1 2 479 1 1 7 ILE O O -3.975 3.769 -0.496 1.00 . A A . 7 ILE O 1 1 2 480 1 1 8 TYR C C -6.267 3.936 0.634 1.00 . A A . 8 TYR C 1 1 2 481 1 1 8 TYR CA C -6.434 2.728 -0.290 1.00 . A A . 8 TYR CA 1 1 2 482 1 1 8 TYR CB C -7.490 1.764 0.259 1.00 . A A . 8 TYR CB 1 1 2 483 1 1 8 TYR CD1 C -9.234 3.574 0.033 1.00 . A A . 8 TYR CD1 1 1 2 484 1 1 8 TYR CD2 C -9.198 2.234 2.055 1.00 . A A . 8 TYR CD2 1 1 2 485 1 1 8 TYR CE1 C -10.329 4.293 0.530 1.00 . A A . 8 TYR CE1 1 1 2 486 1 1 8 TYR CE2 C -10.292 2.955 2.551 1.00 . A A . 8 TYR CE2 1 1 2 487 1 1 8 TYR CG C -8.670 2.544 0.795 1.00 . A A . 8 TYR CG 1 1 2 488 1 1 8 TYR CZ C -10.857 3.983 1.789 1.00 . A A . 8 TYR CZ 1 1 2 489 1 1 8 TYR H H -5.195 0.963 -0.278 1.00 . A A . 8 TYR H 1 1 2 490 1 1 8 TYR HA H -6.709 3.047 -1.280 1.00 . A A . 8 TYR HA 1 1 2 491 1 1 8 TYR HB2 H -7.824 1.110 -0.534 1.00 . A A . 8 TYR HB2 1 1 2 492 1 1 8 TYR HB3 H -7.059 1.173 1.052 1.00 . A A . 8 TYR HB3 1 1 2 493 1 1 8 TYR HD1 H -8.827 3.813 -0.938 1.00 . A A . 8 TYR HD1 1 1 2 494 1 1 8 TYR HD2 H -8.763 1.440 2.642 1.00 . A A . 8 TYR HD2 1 1 2 495 1 1 8 TYR HE1 H -10.765 5.088 -0.057 1.00 . A A . 8 TYR HE1 1 1 2 496 1 1 8 TYR HE2 H -10.699 2.715 3.523 1.00 . A A . 8 TYR HE2 1 1 2 497 1 1 8 TYR HH H -12.125 4.370 3.163 1.00 . A A . 8 TYR HH 1 1 2 498 1 1 8 TYR N N -5.170 1.940 -0.329 1.00 . A A . 8 TYR N 1 1 2 499 1 1 8 TYR O O -5.952 5.026 0.200 1.00 . A A . 8 TYR O 1 1 2 500 1 1 8 TYR OH O -11.935 4.691 2.278 1.00 . A A . 8 TYR OH 1 1 2 501 1 1 9 ASN C C -5.002 5.597 2.679 1.00 . A A . 9 ASN C 1 1 2 502 1 1 9 ASN CA C -6.345 4.879 2.858 1.00 . A A . 9 ASN CA 1 1 2 503 1 1 9 ASN CB C -6.424 4.235 4.242 1.00 . A A . 9 ASN CB 1 1 2 504 1 1 9 ASN CG C -7.587 4.847 5.023 1.00 . A A . 9 ASN CG 1 1 2 505 1 1 9 ASN H H -6.739 2.865 2.229 1.00 . A A . 9 ASN H 1 1 2 506 1 1 9 ASN HA H -7.160 5.569 2.733 1.00 . A A . 9 ASN HA 1 1 2 507 1 1 9 ASN HB2 H -6.579 3.171 4.134 1.00 . A A . 9 ASN HB2 1 1 2 508 1 1 9 ASN HB3 H -5.502 4.412 4.776 1.00 . A A . 9 ASN HB3 1 1 2 509 1 1 9 ASN HD21 H -8.112 3.127 5.866 1.00 . A A . 9 ASN HD21 1 1 2 510 1 1 9 ASN HD22 H -9.061 4.467 6.297 1.00 . A A . 9 ASN HD22 1 1 2 511 1 1 9 ASN N N -6.481 3.749 1.903 1.00 . A A . 9 ASN N 1 1 2 512 1 1 9 ASN ND2 N -8.314 4.084 5.793 1.00 . A A . 9 ASN ND2 1 1 2 513 1 1 9 ASN O O -4.835 6.716 3.109 1.00 . A A . 9 ASN O 1 1 2 514 1 1 9 ASN OD1 O -7.839 6.032 4.933 1.00 . A A . 9 ASN OD1 1 1 2 515 1 1 10 CYS C C -2.646 6.403 0.581 1.00 . A A . 10 CYS C 1 1 2 516 1 1 10 CYS CA C -2.716 5.623 1.895 1.00 . A A . 10 CYS CA 1 1 2 517 1 1 10 CYS CB C -1.699 4.478 1.897 1.00 . A A . 10 CYS CB 1 1 2 518 1 1 10 CYS H H -4.173 4.060 1.739 1.00 . A A . 10 CYS H 1 1 2 519 1 1 10 CYS HA H -2.529 6.270 2.715 1.00 . A A . 10 CYS HA 1 1 2 520 1 1 10 CYS HB2 H -1.833 3.880 2.787 1.00 . A A . 10 CYS HB2 1 1 2 521 1 1 10 CYS HB3 H -1.848 3.861 1.024 1.00 . A A . 10 CYS HB3 1 1 2 522 1 1 10 CYS N N -4.038 4.964 2.067 1.00 . A A . 10 CYS N 1 1 2 523 1 1 10 CYS O O -2.643 7.618 0.563 1.00 . A A . 10 CYS O 1 1 2 524 1 1 10 CYS SG S -0.021 5.160 1.875 1.00 . A A . 10 CYS SG 1 1 2 525 1 1 11 MET C C -3.678 7.270 -2.119 1.00 . A A . 11 MET C 1 1 2 526 1 1 11 MET CA C -2.464 6.377 -1.833 1.00 . A A . 11 MET CA 1 1 2 527 1 1 11 MET CB C -2.398 5.220 -2.820 1.00 . A A . 11 MET CB 1 1 2 528 1 1 11 MET CE C 0.295 6.297 -3.254 1.00 . A A . 11 MET CE 1 1 2 529 1 1 11 MET CG C -1.286 4.245 -2.410 1.00 . A A . 11 MET CG 1 1 2 530 1 1 11 MET H H -2.550 4.734 -0.461 1.00 . A A . 11 MET H 1 1 2 531 1 1 11 MET HA H -1.557 6.947 -1.894 1.00 . A A . 11 MET HA 1 1 2 532 1 1 11 MET HB2 H -3.346 4.702 -2.819 1.00 . A A . 11 MET HB2 1 1 2 533 1 1 11 MET HB3 H -2.197 5.600 -3.806 1.00 . A A . 11 MET HB3 1 1 2 534 1 1 11 MET HE1 H -0.694 6.644 -3.513 1.00 . A A . 11 MET HE1 1 1 2 535 1 1 11 MET HE2 H 0.732 5.796 -4.101 1.00 . A A . 11 MET HE2 1 1 2 536 1 1 11 MET HE3 H 0.915 7.138 -2.976 1.00 . A A . 11 MET HE3 1 1 2 537 1 1 11 MET HG2 H -1.637 3.618 -1.606 1.00 . A A . 11 MET HG2 1 1 2 538 1 1 11 MET HG3 H -1.028 3.629 -3.254 1.00 . A A . 11 MET HG3 1 1 2 539 1 1 11 MET N N -2.564 5.709 -0.510 1.00 . A A . 11 MET N 1 1 2 540 1 1 11 MET O O -3.573 8.261 -2.814 1.00 . A A . 11 MET O 1 1 2 541 1 1 11 MET SD S 0.189 5.149 -1.859 1.00 . A A . 11 MET SD 1 1 2 542 1 1 12 ASN C C -6.132 8.902 -0.855 1.00 . A A . 12 ASN C 1 1 2 543 1 1 12 ASN CA C -6.031 7.771 -1.874 1.00 . A A . 12 ASN CA 1 1 2 544 1 1 12 ASN CB C -7.218 6.820 -1.740 1.00 . A A . 12 ASN CB 1 1 2 545 1 1 12 ASN CG C -7.094 5.712 -2.782 1.00 . A A . 12 ASN CG 1 1 2 546 1 1 12 ASN H H -4.902 6.128 -1.052 1.00 . A A . 12 ASN H 1 1 2 547 1 1 12 ASN HA H -5.993 8.171 -2.873 1.00 . A A . 12 ASN HA 1 1 2 548 1 1 12 ASN HB2 H -7.225 6.390 -0.750 1.00 . A A . 12 ASN HB2 1 1 2 549 1 1 12 ASN HB3 H -8.133 7.364 -1.903 1.00 . A A . 12 ASN HB3 1 1 2 550 1 1 12 ASN HD21 H -5.745 4.701 -1.740 1.00 . A A . 12 ASN HD21 1 1 2 551 1 1 12 ASN HD22 H -6.179 4.012 -3.225 1.00 . A A . 12 ASN HD22 1 1 2 552 1 1 12 ASN N N -4.826 6.930 -1.606 1.00 . A A . 12 ASN N 1 1 2 553 1 1 12 ASN ND2 N -6.272 4.725 -2.565 1.00 . A A . 12 ASN ND2 1 1 2 554 1 1 12 ASN O O -6.543 10.001 -1.170 1.00 . A A . 12 ASN O 1 1 2 555 1 1 12 ASN OD1 O -7.754 5.741 -3.802 1.00 . A A . 12 ASN OD1 1 1 2 556 1 1 13 SER C C -5.368 9.188 2.761 1.00 . A A . 13 SER C 1 1 2 557 1 1 13 SER CA C -5.829 9.714 1.399 1.00 . A A . 13 SER CA 1 1 2 558 1 1 13 SER CB C -7.302 10.120 1.451 1.00 . A A . 13 SER CB 1 1 2 559 1 1 13 SER H H -5.424 7.759 0.595 1.00 . A A . 13 SER H 1 1 2 560 1 1 13 SER HA H -5.229 10.551 1.101 1.00 . A A . 13 SER HA 1 1 2 561 1 1 13 SER HB2 H -7.483 10.912 0.745 1.00 . A A . 13 SER HB2 1 1 2 562 1 1 13 SER HB3 H -7.918 9.266 1.198 1.00 . A A . 13 SER HB3 1 1 2 563 1 1 13 SER HG H -7.664 9.813 3.338 1.00 . A A . 13 SER HG 1 1 2 564 1 1 13 SER N N -5.757 8.646 0.365 1.00 . A A . 13 SER N 1 1 2 565 1 1 13 SER O O -6.136 8.617 3.510 1.00 . A A . 13 SER O 1 1 2 566 1 1 13 SER OG O -7.616 10.578 2.759 1.00 . A A . 13 SER OG 1 1 2 567 1 1 14 GLY C C -2.072 8.921 4.370 1.00 . A A . 14 GLY C 1 1 2 568 1 1 14 GLY CA C -3.600 8.899 4.390 1.00 . A A . 14 GLY CA 1 1 2 569 1 1 14 GLY H H -3.521 9.836 2.474 1.00 . A A . 14 GLY H 1 1 2 570 1 1 14 GLY HA2 H -3.962 9.545 5.178 1.00 . A A . 14 GLY HA2 1 1 2 571 1 1 14 GLY HA3 H -3.938 7.896 4.557 1.00 . A A . 14 GLY HA3 1 1 2 572 1 1 14 GLY N N -4.118 9.378 3.086 1.00 . A A . 14 GLY N 1 1 2 573 1 1 14 GLY O O -1.429 9.040 5.394 1.00 . A A . 14 GLY O 1 1 2 574 1 1 15 GLY C C 0.431 9.533 1.840 1.00 . A A . 15 GLY C 1 1 2 575 1 1 15 GLY CA C 0.003 8.818 3.123 1.00 . A A . 15 GLY CA 1 1 2 576 1 1 15 GLY H H -2.022 8.709 2.397 1.00 . A A . 15 GLY H 1 1 2 577 1 1 15 GLY HA2 H 0.409 9.339 3.980 1.00 . A A . 15 GLY HA2 1 1 2 578 1 1 15 GLY HA3 H 0.371 7.803 3.105 1.00 . A A . 15 GLY HA3 1 1 2 579 1 1 15 GLY N N -1.485 8.805 3.211 1.00 . A A . 15 GLY N 1 1 2 580 1 1 15 GLY O O 0.696 8.911 0.831 1.00 . A A . 15 GLY O 1 1 2 581 1 1 16 GLY C C 2.431 11.552 0.520 1.00 . A A . 16 GLY C 1 1 2 582 1 1 16 GLY CA C 0.906 11.584 0.657 1.00 . A A . 16 GLY CA 1 1 2 583 1 1 16 GLY H H 0.278 11.318 2.683 1.00 . A A . 16 GLY H 1 1 2 584 1 1 16 GLY HA2 H 0.454 11.126 -0.204 1.00 . A A . 16 GLY HA2 1 1 2 585 1 1 16 GLY HA3 H 0.576 12.610 0.737 1.00 . A A . 16 GLY HA3 1 1 2 586 1 1 16 GLY N N 0.499 10.834 1.869 1.00 . A A . 16 GLY N 1 1 2 587 1 1 16 GLY O O 3.074 12.578 0.413 1.00 . A A . 16 GLY O 1 1 2 588 1 1 17 LEU C C 4.877 9.572 -0.885 1.00 . A A . 17 LEU C 1 1 2 589 1 1 17 LEU CA C 4.505 10.302 0.401 1.00 . A A . 17 LEU CA 1 1 2 590 1 1 17 LEU CB C 5.028 9.496 1.611 1.00 . A A . 17 LEU CB 1 1 2 591 1 1 17 LEU CD1 C 3.247 7.887 2.317 1.00 . A A . 17 LEU CD1 1 1 2 592 1 1 17 LEU CD2 C 4.531 9.156 4.036 1.00 . A A . 17 LEU CD2 1 1 2 593 1 1 17 LEU CG C 3.920 9.221 2.635 1.00 . A A . 17 LEU CG 1 1 2 594 1 1 17 LEU H H 2.485 9.568 0.618 1.00 . A A . 17 LEU H 1 1 2 595 1 1 17 LEU HA H 4.935 11.287 0.408 1.00 . A A . 17 LEU HA 1 1 2 596 1 1 17 LEU HB2 H 5.422 8.554 1.260 1.00 . A A . 17 LEU HB2 1 1 2 597 1 1 17 LEU HB3 H 5.821 10.053 2.088 1.00 . A A . 17 LEU HB3 1 1 2 598 1 1 17 LEU HD11 H 2.252 8.067 1.942 1.00 . A A . 17 LEU HD11 1 1 2 599 1 1 17 LEU HD12 H 3.191 7.289 3.213 1.00 . A A . 17 LEU HD12 1 1 2 600 1 1 17 LEU HD13 H 3.821 7.364 1.572 1.00 . A A . 17 LEU HD13 1 1 2 601 1 1 17 LEU HD21 H 5.250 8.350 4.078 1.00 . A A . 17 LEU HD21 1 1 2 602 1 1 17 LEU HD22 H 3.750 8.979 4.760 1.00 . A A . 17 LEU HD22 1 1 2 603 1 1 17 LEU HD23 H 5.024 10.091 4.258 1.00 . A A . 17 LEU HD23 1 1 2 604 1 1 17 LEU HG H 3.189 10.008 2.597 1.00 . A A . 17 LEU HG 1 1 2 605 1 1 17 LEU N N 3.018 10.386 0.527 1.00 . A A . 17 LEU N 1 1 2 606 1 1 17 LEU O O 5.362 10.157 -1.834 1.00 . A A . 17 LEU O 1 1 2 607 1 1 18 SER C C 3.928 6.449 -2.401 1.00 . A A . 18 SER C 1 1 2 608 1 1 18 SER CA C 5.005 7.493 -2.118 1.00 . A A . 18 SER CA 1 1 2 609 1 1 18 SER CB C 6.324 6.815 -1.767 1.00 . A A . 18 SER CB 1 1 2 610 1 1 18 SER H H 4.279 7.851 -0.125 1.00 . A A . 18 SER H 1 1 2 611 1 1 18 SER HA H 5.142 8.127 -2.972 1.00 . A A . 18 SER HA 1 1 2 612 1 1 18 SER HB2 H 6.406 6.721 -0.698 1.00 . A A . 18 SER HB2 1 1 2 613 1 1 18 SER HB3 H 6.347 5.832 -2.213 1.00 . A A . 18 SER HB3 1 1 2 614 1 1 18 SER HG H 8.051 7.686 -1.552 1.00 . A A . 18 SER HG 1 1 2 615 1 1 18 SER N N 4.661 8.291 -0.911 1.00 . A A . 18 SER N 1 1 2 616 1 1 18 SER O O 2.871 6.444 -1.801 1.00 . A A . 18 SER O 1 1 2 617 1 1 18 SER OG O 7.402 7.600 -2.256 1.00 . A A . 18 SER OG 1 1 2 618 1 1 19 PHE C C 3.845 3.140 -3.440 1.00 . A A . 19 PHE C 1 1 2 619 1 1 19 PHE CA C 3.212 4.501 -3.653 1.00 . A A . 19 PHE CA 1 1 2 620 1 1 19 PHE CB C 2.908 4.707 -5.134 1.00 . A A . 19 PHE CB 1 1 2 621 1 1 19 PHE CD1 C 0.881 3.211 -5.126 1.00 . A A . 19 PHE CD1 1 1 2 622 1 1 19 PHE CD2 C 2.679 2.728 -6.678 1.00 . A A . 19 PHE CD2 1 1 2 623 1 1 19 PHE CE1 C 0.166 2.110 -5.612 1.00 . A A . 19 PHE CE1 1 1 2 624 1 1 19 PHE CE2 C 1.965 1.627 -7.165 1.00 . A A . 19 PHE CE2 1 1 2 625 1 1 19 PHE CG C 2.137 3.520 -5.660 1.00 . A A . 19 PHE CG 1 1 2 626 1 1 19 PHE CZ C 0.708 1.318 -6.632 1.00 . A A . 19 PHE CZ 1 1 2 627 1 1 19 PHE H H 5.063 5.591 -3.775 1.00 . A A . 19 PHE H 1 1 2 628 1 1 19 PHE HA H 2.316 4.600 -3.066 1.00 . A A . 19 PHE HA 1 1 2 629 1 1 19 PHE HB2 H 2.325 5.602 -5.260 1.00 . A A . 19 PHE HB2 1 1 2 630 1 1 19 PHE HB3 H 3.836 4.800 -5.681 1.00 . A A . 19 PHE HB3 1 1 2 631 1 1 19 PHE HD1 H 0.464 3.822 -4.341 1.00 . A A . 19 PHE HD1 1 1 2 632 1 1 19 PHE HD2 H 3.649 2.965 -7.089 1.00 . A A . 19 PHE HD2 1 1 2 633 1 1 19 PHE HE1 H -0.804 1.872 -5.201 1.00 . A A . 19 PHE HE1 1 1 2 634 1 1 19 PHE HE2 H 2.382 1.016 -7.951 1.00 . A A . 19 PHE HE2 1 1 2 635 1 1 19 PHE HZ H 0.155 0.469 -7.007 1.00 . A A . 19 PHE HZ 1 1 2 636 1 1 19 PHE N N 4.199 5.561 -3.312 1.00 . A A . 19 PHE N 1 1 2 637 1 1 19 PHE O O 3.362 2.323 -2.681 1.00 . A A . 19 PHE O 1 1 2 638 1 1 20 ILE C C 5.654 1.215 -2.484 1.00 . A A . 20 ILE C 1 1 2 639 1 1 20 ILE CA C 5.610 1.580 -3.960 1.00 . A A . 20 ILE CA 1 1 2 640 1 1 20 ILE CB C 7.043 1.725 -4.501 1.00 . A A . 20 ILE CB 1 1 2 641 1 1 20 ILE CD1 C 7.495 4.090 -5.138 1.00 . A A . 20 ILE CD1 1 1 2 642 1 1 20 ILE CG1 C 7.095 2.712 -5.669 1.00 . A A . 20 ILE CG1 1 1 2 643 1 1 20 ILE CG2 C 7.538 0.361 -4.984 1.00 . A A . 20 ILE CG2 1 1 2 644 1 1 20 ILE H H 5.276 3.581 -4.715 1.00 . A A . 20 ILE H 1 1 2 645 1 1 20 ILE HA H 5.077 0.823 -4.507 1.00 . A A . 20 ILE HA 1 1 2 646 1 1 20 ILE HB H 7.688 2.074 -3.706 1.00 . A A . 20 ILE HB 1 1 2 647 1 1 20 ILE HD11 H 8.568 4.199 -5.190 1.00 . A A . 20 ILE HD11 1 1 2 648 1 1 20 ILE HD12 H 7.173 4.185 -4.110 1.00 . A A . 20 ILE HD12 1 1 2 649 1 1 20 ILE HD13 H 7.023 4.857 -5.734 1.00 . A A . 20 ILE HD13 1 1 2 650 1 1 20 ILE HG12 H 7.827 2.377 -6.391 1.00 . A A . 20 ILE HG12 1 1 2 651 1 1 20 ILE HG13 H 6.126 2.773 -6.138 1.00 . A A . 20 ILE HG13 1 1 2 652 1 1 20 ILE HG21 H 7.001 0.080 -5.879 1.00 . A A . 20 ILE HG21 1 1 2 653 1 1 20 ILE HG22 H 7.367 -0.378 -4.216 1.00 . A A . 20 ILE HG22 1 1 2 654 1 1 20 ILE HG23 H 8.594 0.417 -5.201 1.00 . A A . 20 ILE HG23 1 1 2 655 1 1 20 ILE N N 4.927 2.897 -4.114 1.00 . A A . 20 ILE N 1 1 2 656 1 1 20 ILE O O 5.524 0.064 -2.117 1.00 . A A . 20 ILE O 1 1 2 657 1 1 21 GLN C C 4.503 1.231 0.215 1.00 . A A . 21 GLN C 1 1 2 658 1 1 21 GLN CA C 5.851 1.837 -0.172 1.00 . A A . 21 GLN CA 1 1 2 659 1 1 21 GLN CB C 6.123 3.119 0.625 1.00 . A A . 21 GLN CB 1 1 2 660 1 1 21 GLN CD C 5.026 5.326 0.921 1.00 . A A . 21 GLN CD 1 1 2 661 1 1 21 GLN CG C 5.562 4.329 -0.100 1.00 . A A . 21 GLN CG 1 1 2 662 1 1 21 GLN H H 5.917 3.113 -1.932 1.00 . A A . 21 GLN H 1 1 2 663 1 1 21 GLN HA H 6.637 1.133 0.007 1.00 . A A . 21 GLN HA 1 1 2 664 1 1 21 GLN HB2 H 5.659 3.040 1.597 1.00 . A A . 21 GLN HB2 1 1 2 665 1 1 21 GLN HB3 H 7.189 3.243 0.749 1.00 . A A . 21 GLN HB3 1 1 2 666 1 1 21 GLN HE21 H 6.778 6.222 1.148 1.00 . A A . 21 GLN HE21 1 1 2 667 1 1 21 GLN HE22 H 5.515 6.854 2.085 1.00 . A A . 21 GLN HE22 1 1 2 668 1 1 21 GLN HG2 H 6.350 4.784 -0.673 1.00 . A A . 21 GLN HG2 1 1 2 669 1 1 21 GLN HG3 H 4.768 4.016 -0.756 1.00 . A A . 21 GLN HG3 1 1 2 670 1 1 21 GLN N N 5.823 2.183 -1.623 1.00 . A A . 21 GLN N 1 1 2 671 1 1 21 GLN NE2 N 5.839 6.208 1.426 1.00 . A A . 21 GLN NE2 1 1 2 672 1 1 21 GLN O O 4.371 0.034 0.349 1.00 . A A . 21 GLN O 1 1 2 673 1 1 21 GLN OE1 O 3.860 5.301 1.264 1.00 . A A . 21 GLN OE1 1 1 2 674 1 1 22 CYS C C 1.761 0.411 -0.282 1.00 . A A . 22 CYS C 1 1 2 675 1 1 22 CYS CA C 2.157 1.490 0.727 1.00 . A A . 22 CYS CA 1 1 2 676 1 1 22 CYS CB C 1.193 2.676 0.645 1.00 . A A . 22 CYS CB 1 1 2 677 1 1 22 CYS H H 3.608 3.005 0.247 1.00 . A A . 22 CYS H 1 1 2 678 1 1 22 CYS HA H 2.171 1.085 1.727 1.00 . A A . 22 CYS HA 1 1 2 679 1 1 22 CYS HB2 H 1.514 3.345 -0.142 1.00 . A A . 22 CYS HB2 1 1 2 680 1 1 22 CYS HB3 H 0.198 2.313 0.425 1.00 . A A . 22 CYS HB3 1 1 2 681 1 1 22 CYS N N 3.493 2.042 0.373 1.00 . A A . 22 CYS N 1 1 2 682 1 1 22 CYS O O 1.054 -0.523 0.042 1.00 . A A . 22 CYS O 1 1 2 683 1 1 22 CYS SG S 1.175 3.566 2.221 1.00 . A A . 22 CYS SG 1 1 2 684 1 1 23 LYS C C 2.296 -1.892 -2.063 1.00 . A A . 23 LYS C 1 1 2 685 1 1 23 LYS CA C 1.847 -0.500 -2.524 1.00 . A A . 23 LYS CA 1 1 2 686 1 1 23 LYS CB C 2.598 -0.084 -3.789 1.00 . A A . 23 LYS CB 1 1 2 687 1 1 23 LYS CD C 0.881 -1.454 -4.986 1.00 . A A . 23 LYS CD 1 1 2 688 1 1 23 LYS CE C 0.652 -2.459 -6.118 1.00 . A A . 23 LYS CE 1 1 2 689 1 1 23 LYS CG C 2.373 -1.129 -4.885 1.00 . A A . 23 LYS CG 1 1 2 690 1 1 23 LYS H H 2.779 1.290 -1.759 1.00 . A A . 23 LYS H 1 1 2 691 1 1 23 LYS HA H 0.783 -0.488 -2.708 1.00 . A A . 23 LYS HA 1 1 2 692 1 1 23 LYS HB2 H 2.233 0.876 -4.125 1.00 . A A . 23 LYS HB2 1 1 2 693 1 1 23 LYS HB3 H 3.654 -0.012 -3.574 1.00 . A A . 23 LYS HB3 1 1 2 694 1 1 23 LYS HD2 H 0.542 -1.879 -4.052 1.00 . A A . 23 LYS HD2 1 1 2 695 1 1 23 LYS HD3 H 0.328 -0.550 -5.193 1.00 . A A . 23 LYS HD3 1 1 2 696 1 1 23 LYS HE2 H 0.747 -1.970 -7.078 1.00 . A A . 23 LYS HE2 1 1 2 697 1 1 23 LYS HE3 H 1.348 -3.278 -6.041 1.00 . A A . 23 LYS HE3 1 1 2 698 1 1 23 LYS HG2 H 2.722 -0.739 -5.831 1.00 . A A . 23 LYS HG2 1 1 2 699 1 1 23 LYS HG3 H 2.920 -2.027 -4.643 1.00 . A A . 23 LYS HG3 1 1 2 700 1 1 23 LYS HZ1 H -1.395 -2.375 -6.485 1.00 . A A . 23 LYS HZ1 1 1 2 701 1 1 23 LYS HZ2 H -0.993 -2.878 -4.913 1.00 . A A . 23 LYS HZ2 1 1 2 702 1 1 23 LYS HZ3 H -0.803 -3.944 -6.223 1.00 . A A . 23 LYS HZ3 1 1 2 703 1 1 23 LYS N N 2.208 0.527 -1.507 1.00 . A A . 23 LYS N 1 1 2 704 1 1 23 LYS NZ N -0.740 -2.952 -5.919 1.00 . A A . 23 LYS NZ 1 1 2 705 1 1 23 LYS O O 1.894 -2.896 -2.617 1.00 . A A . 23 LYS O 1 1 2 706 1 1 24 THR C C 4.016 -3.260 0.893 1.00 . A A . 24 THR C 1 1 2 707 1 1 24 THR CA C 3.600 -3.304 -0.583 1.00 . A A . 24 THR CA 1 1 2 708 1 1 24 THR CB C 4.807 -3.629 -1.462 1.00 . A A . 24 THR CB 1 1 2 709 1 1 24 THR CG2 C 4.359 -4.470 -2.658 1.00 . A A . 24 THR CG2 1 1 2 710 1 1 24 THR H H 3.452 -1.149 -0.626 1.00 . A A . 24 THR H 1 1 2 711 1 1 24 THR HA H 2.832 -4.042 -0.733 1.00 . A A . 24 THR HA 1 1 2 712 1 1 24 THR HB H 5.531 -4.186 -0.888 1.00 . A A . 24 THR HB 1 1 2 713 1 1 24 THR HG1 H 6.024 -2.640 -2.612 1.00 . A A . 24 THR HG1 1 1 2 714 1 1 24 THR HG21 H 4.541 -3.922 -3.571 1.00 . A A . 24 THR HG21 1 1 2 715 1 1 24 THR HG22 H 3.305 -4.687 -2.571 1.00 . A A . 24 THR HG22 1 1 2 716 1 1 24 THR HG23 H 4.917 -5.394 -2.677 1.00 . A A . 24 THR HG23 1 1 2 717 1 1 24 THR N N 3.131 -1.966 -1.059 1.00 . A A . 24 THR N 1 1 2 718 1 1 24 THR O O 3.900 -4.237 1.606 1.00 . A A . 24 THR O 1 1 2 719 1 1 24 THR OG1 O 5.395 -2.420 -1.922 1.00 . A A . 24 THR OG1 1 1 2 720 1 1 25 MET C C 3.820 -2.501 3.715 1.00 . A A . 25 MET C 1 1 2 721 1 1 25 MET CA C 4.942 -2.056 2.780 1.00 . A A . 25 MET CA 1 1 2 722 1 1 25 MET CB C 5.272 -0.579 3.004 1.00 . A A . 25 MET CB 1 1 2 723 1 1 25 MET CE C 6.846 1.885 4.156 1.00 . A A . 25 MET CE 1 1 2 724 1 1 25 MET CG C 6.711 -0.307 2.564 1.00 . A A . 25 MET CG 1 1 2 725 1 1 25 MET H H 4.604 -1.369 0.773 1.00 . A A . 25 MET H 1 1 2 726 1 1 25 MET HA H 5.820 -2.651 2.935 1.00 . A A . 25 MET HA 1 1 2 727 1 1 25 MET HB2 H 4.595 0.033 2.427 1.00 . A A . 25 MET HB2 1 1 2 728 1 1 25 MET HB3 H 5.168 -0.343 4.052 1.00 . A A . 25 MET HB3 1 1 2 729 1 1 25 MET HE1 H 5.817 1.727 4.444 1.00 . A A . 25 MET HE1 1 1 2 730 1 1 25 MET HE2 H 6.878 2.413 3.217 1.00 . A A . 25 MET HE2 1 1 2 731 1 1 25 MET HE3 H 7.353 2.468 4.912 1.00 . A A . 25 MET HE3 1 1 2 732 1 1 25 MET HG2 H 7.151 -1.218 2.187 1.00 . A A . 25 MET HG2 1 1 2 733 1 1 25 MET HG3 H 6.714 0.443 1.787 1.00 . A A . 25 MET HG3 1 1 2 734 1 1 25 MET N N 4.510 -2.145 1.358 1.00 . A A . 25 MET N 1 1 2 735 1 1 25 MET O O 3.859 -3.577 4.280 1.00 . A A . 25 MET O 1 1 2 736 1 1 25 MET SD S 7.672 0.285 3.979 1.00 . A A . 25 MET SD 1 1 2 737 1 1 26 CYS C C 1.316 -3.519 4.597 1.00 . A A . 26 CYS C 1 1 2 738 1 1 26 CYS CA C 1.698 -2.047 4.792 1.00 . A A . 26 CYS CA 1 1 2 739 1 1 26 CYS CB C 0.545 -1.132 4.379 1.00 . A A . 26 CYS CB 1 1 2 740 1 1 26 CYS H H 2.821 -0.816 3.423 1.00 . A A . 26 CYS H 1 1 2 741 1 1 26 CYS HA H 1.965 -1.861 5.820 1.00 . A A . 26 CYS HA 1 1 2 742 1 1 26 CYS HB2 H 0.785 -0.111 4.638 1.00 . A A . 26 CYS HB2 1 1 2 743 1 1 26 CYS HB3 H 0.393 -1.206 3.312 1.00 . A A . 26 CYS HB3 1 1 2 744 1 1 26 CYS N N 2.825 -1.679 3.887 1.00 . A A . 26 CYS N 1 1 2 745 1 1 26 CYS O O 0.891 -3.925 3.533 1.00 . A A . 26 CYS O 1 1 2 746 1 1 26 CYS SG S -0.964 -1.636 5.240 1.00 . A A . 26 CYS SG 1 1 2 747 1 1 27 TYR C C -0.220 -6.050 6.183 1.00 . A A . 27 TYR C 1 1 2 748 1 1 27 TYR CA C 1.118 -5.766 5.492 1.00 . A A . 27 TYR CA 1 1 2 749 1 1 27 TYR CB C 2.254 -6.507 6.200 1.00 . A A . 27 TYR CB 1 1 2 750 1 1 27 TYR CD1 C 3.097 -8.863 6.501 1.00 . A A . 27 TYR CD1 1 1 2 751 1 1 27 TYR CD2 C 1.167 -8.502 5.076 1.00 . A A . 27 TYR CD2 1 1 2 752 1 1 27 TYR CE1 C 3.026 -10.238 6.246 1.00 . A A . 27 TYR CE1 1 1 2 753 1 1 27 TYR CE2 C 1.098 -9.877 4.823 1.00 . A A . 27 TYR CE2 1 1 2 754 1 1 27 TYR CG C 2.167 -7.993 5.917 1.00 . A A . 27 TYR CG 1 1 2 755 1 1 27 TYR CZ C 2.027 -10.745 5.407 1.00 . A A . 27 TYR CZ 1 1 2 756 1 1 27 TYR H H 1.813 -3.972 6.466 1.00 . A A . 27 TYR H 1 1 2 757 1 1 27 TYR HA H 1.077 -6.057 4.454 1.00 . A A . 27 TYR HA 1 1 2 758 1 1 27 TYR HB2 H 3.202 -6.130 5.841 1.00 . A A . 27 TYR HB2 1 1 2 759 1 1 27 TYR HB3 H 2.181 -6.341 7.265 1.00 . A A . 27 TYR HB3 1 1 2 760 1 1 27 TYR HD1 H 3.868 -8.474 7.148 1.00 . A A . 27 TYR HD1 1 1 2 761 1 1 27 TYR HD2 H 0.450 -7.835 4.624 1.00 . A A . 27 TYR HD2 1 1 2 762 1 1 27 TYR HE1 H 3.743 -10.907 6.697 1.00 . A A . 27 TYR HE1 1 1 2 763 1 1 27 TYR HE2 H 0.328 -10.270 4.175 1.00 . A A . 27 TYR HE2 1 1 2 764 1 1 27 TYR HH H 2.842 -12.464 5.254 1.00 . A A . 27 TYR HH 1 1 2 765 1 1 27 TYR N N 1.466 -4.321 5.617 1.00 . A A . 27 TYR N 1 1 2 766 1 1 27 TYR O O -1.056 -6.693 5.570 1.00 . A A . 27 TYR O 1 1 2 767 1 1 27 TYR OXT O -0.383 -5.621 7.314 1.00 . A A . 27 TYR OXT 1 1 2 768 1 1 27 TYR OH O 1.959 -12.100 5.157 1.00 . A A . 27 TYR OH 1 1 3 769 1 1 1 GLY C C -4.656 -7.334 4.413 1.00 . A A . 1 GLY C 1 1 3 770 1 1 1 GLY CA C -4.836 -8.763 3.897 1.00 . A A . 1 GLY CA 1 1 3 771 1 1 1 GLY H1 H -6.817 -8.879 4.528 1.00 . A A . 1 GLY H1 1 1 3 772 1 1 1 GLY H2 H -5.695 -9.480 5.653 1.00 . A A . 1 GLY H2 1 1 3 773 1 1 1 GLY H3 H -6.085 -10.388 4.271 1.00 . A A . 1 GLY H3 1 1 3 774 1 1 1 GLY HA2 H -3.920 -9.318 4.042 1.00 . A A . 1 GLY HA2 1 1 3 775 1 1 1 GLY HA3 H -5.077 -8.734 2.845 1.00 . A A . 1 GLY HA3 1 1 3 776 1 1 1 GLY N N -5.942 -9.428 4.643 1.00 . A A . 1 GLY N 1 1 3 777 1 1 1 GLY O O -4.892 -7.048 5.570 1.00 . A A . 1 GLY O 1 1 3 778 1 1 2 GLY C C -3.669 -4.153 2.810 1.00 . A A . 2 GLY C 1 1 3 779 1 1 2 GLY CA C -4.046 -5.023 4.011 1.00 . A A . 2 GLY CA 1 1 3 780 1 1 2 GLY H H -4.054 -6.683 2.636 1.00 . A A . 2 GLY H 1 1 3 781 1 1 2 GLY HA2 H -4.964 -4.656 4.448 1.00 . A A . 2 GLY HA2 1 1 3 782 1 1 2 GLY HA3 H -3.255 -4.981 4.743 1.00 . A A . 2 GLY HA3 1 1 3 783 1 1 2 GLY N N -4.240 -6.432 3.565 1.00 . A A . 2 GLY N 1 1 3 784 1 1 2 GLY O O -4.081 -3.015 2.702 1.00 . A A . 2 GLY O 1 1 3 785 1 1 3 LEU C C -3.703 -3.166 0.120 1.00 . A A . 3 LEU C 1 1 3 786 1 1 3 LEU CA C -2.487 -3.878 0.712 1.00 . A A . 3 LEU CA 1 1 3 787 1 1 3 LEU CB C -1.933 -4.900 -0.283 1.00 . A A . 3 LEU CB 1 1 3 788 1 1 3 LEU CD1 C -0.034 -6.521 -0.362 1.00 . A A . 3 LEU CD1 1 1 3 789 1 1 3 LEU CD2 C 0.336 -4.131 -0.981 1.00 . A A . 3 LEU CD2 1 1 3 790 1 1 3 LEU CG C -0.432 -5.076 -0.056 1.00 . A A . 3 LEU CG 1 1 3 791 1 1 3 LEU H H -2.566 -5.598 2.009 1.00 . A A . 3 LEU H 1 1 3 792 1 1 3 LEU HA H -1.724 -3.167 0.973 1.00 . A A . 3 LEU HA 1 1 3 793 1 1 3 LEU HB2 H -2.434 -5.847 -0.141 1.00 . A A . 3 LEU HB2 1 1 3 794 1 1 3 LEU HB3 H -2.105 -4.550 -1.290 1.00 . A A . 3 LEU HB3 1 1 3 795 1 1 3 LEU HD11 H -0.488 -6.830 -1.292 1.00 . A A . 3 LEU HD11 1 1 3 796 1 1 3 LEU HD12 H -0.374 -7.165 0.435 1.00 . A A . 3 LEU HD12 1 1 3 797 1 1 3 LEU HD13 H 1.041 -6.588 -0.447 1.00 . A A . 3 LEU HD13 1 1 3 798 1 1 3 LEU HD21 H -0.187 -3.188 -1.047 1.00 . A A . 3 LEU HD21 1 1 3 799 1 1 3 LEU HD22 H 0.410 -4.571 -1.965 1.00 . A A . 3 LEU HD22 1 1 3 800 1 1 3 LEU HD23 H 1.328 -3.966 -0.584 1.00 . A A . 3 LEU HD23 1 1 3 801 1 1 3 LEU HG H -0.194 -4.850 0.972 1.00 . A A . 3 LEU HG 1 1 3 802 1 1 3 LEU N N -2.888 -4.679 1.905 1.00 . A A . 3 LEU N 1 1 3 803 1 1 3 LEU O O -3.732 -1.957 -0.002 1.00 . A A . 3 LEU O 1 1 3 804 1 1 4 GLY C C -6.287 -2.016 -0.103 1.00 . A A . 4 GLY C 1 1 3 805 1 1 4 GLY CA C -5.924 -3.300 -0.848 1.00 . A A . 4 GLY CA 1 1 3 806 1 1 4 GLY H H -4.647 -4.883 -0.148 1.00 . A A . 4 GLY H 1 1 3 807 1 1 4 GLY HA2 H -5.736 -3.072 -1.886 1.00 . A A . 4 GLY HA2 1 1 3 808 1 1 4 GLY HA3 H -6.747 -3.999 -0.776 1.00 . A A . 4 GLY HA3 1 1 3 809 1 1 4 GLY N N -4.702 -3.913 -0.254 1.00 . A A . 4 GLY N 1 1 3 810 1 1 4 GLY O O -6.731 -1.051 -0.693 1.00 . A A . 4 GLY O 1 1 3 811 1 1 5 ARG C C -5.259 0.180 2.025 1.00 . A A . 5 ARG C 1 1 3 812 1 1 5 ARG CA C -6.454 -0.769 1.965 1.00 . A A . 5 ARG CA 1 1 3 813 1 1 5 ARG CB C -6.826 -1.268 3.360 1.00 . A A . 5 ARG CB 1 1 3 814 1 1 5 ARG CD C -8.978 -2.050 2.352 1.00 . A A . 5 ARG CD 1 1 3 815 1 1 5 ARG CG C -8.350 -1.266 3.509 1.00 . A A . 5 ARG CG 1 1 3 816 1 1 5 ARG CZ C -9.839 -0.546 0.645 1.00 . A A . 5 ARG CZ 1 1 3 817 1 1 5 ARG H H -5.754 -2.785 1.645 1.00 . A A . 5 ARG H 1 1 3 818 1 1 5 ARG HA H -7.296 -0.268 1.520 1.00 . A A . 5 ARG HA 1 1 3 819 1 1 5 ARG HB2 H -6.450 -2.271 3.497 1.00 . A A . 5 ARG HB2 1 1 3 820 1 1 5 ARG HB3 H -6.393 -0.615 4.104 1.00 . A A . 5 ARG HB3 1 1 3 821 1 1 5 ARG HD2 H -8.232 -2.275 1.605 1.00 . A A . 5 ARG HD2 1 1 3 822 1 1 5 ARG HD3 H -9.431 -2.959 2.716 1.00 . A A . 5 ARG HD3 1 1 3 823 1 1 5 ARG HE H -10.859 -1.004 2.288 1.00 . A A . 5 ARG HE 1 1 3 824 1 1 5 ARG HG2 H -8.620 -1.730 4.448 1.00 . A A . 5 ARG HG2 1 1 3 825 1 1 5 ARG HG3 H -8.713 -0.249 3.491 1.00 . A A . 5 ARG HG3 1 1 3 826 1 1 5 ARG HH11 H -8.723 -2.014 -0.141 1.00 . A A . 5 ARG HH11 1 1 3 827 1 1 5 ARG HH12 H -8.988 -0.645 -1.166 1.00 . A A . 5 ARG HH12 1 1 3 828 1 1 5 ARG HH21 H -10.912 1.067 1.148 1.00 . A A . 5 ARG HH21 1 1 3 829 1 1 5 ARG HH22 H -10.229 1.087 -0.444 1.00 . A A . 5 ARG HH22 1 1 3 830 1 1 5 ARG N N -6.109 -1.995 1.188 1.00 . A A . 5 ARG N 1 1 3 831 1 1 5 ARG NE N -10.025 -1.148 1.792 1.00 . A A . 5 ARG NE 1 1 3 832 1 1 5 ARG NH1 N -9.129 -1.115 -0.293 1.00 . A A . 5 ARG NH1 1 1 3 833 1 1 5 ARG NH2 N -10.367 0.628 0.435 1.00 . A A . 5 ARG NH2 1 1 3 834 1 1 5 ARG O O -5.393 1.364 1.802 1.00 . A A . 5 ARG O 1 1 3 835 1 1 6 CYS C C -2.957 1.570 1.226 1.00 . A A . 6 CYS C 1 1 3 836 1 1 6 CYS CA C -2.898 0.566 2.373 1.00 . A A . 6 CYS CA 1 1 3 837 1 1 6 CYS CB C -1.693 -0.361 2.212 1.00 . A A . 6 CYS CB 1 1 3 838 1 1 6 CYS H H -4.005 -1.285 2.485 1.00 . A A . 6 CYS H 1 1 3 839 1 1 6 CYS HA H -2.851 1.076 3.320 1.00 . A A . 6 CYS HA 1 1 3 840 1 1 6 CYS HB2 H -2.034 -1.375 2.069 1.00 . A A . 6 CYS HB2 1 1 3 841 1 1 6 CYS HB3 H -1.113 -0.051 1.354 1.00 . A A . 6 CYS HB3 1 1 3 842 1 1 6 CYS N N -4.094 -0.325 2.315 1.00 . A A . 6 CYS N 1 1 3 843 1 1 6 CYS O O -3.133 2.753 1.426 1.00 . A A . 6 CYS O 1 1 3 844 1 1 6 CYS SG S -0.664 -0.270 3.699 1.00 . A A . 6 CYS SG 1 1 3 845 1 1 7 ILE C C -4.213 2.796 -1.127 1.00 . A A . 7 ILE C 1 1 3 846 1 1 7 ILE CA C -2.903 2.003 -1.151 1.00 . A A . 7 ILE CA 1 1 3 847 1 1 7 ILE CB C -2.853 1.065 -2.357 1.00 . A A . 7 ILE CB 1 1 3 848 1 1 7 ILE CD1 C -1.695 -1.056 -1.748 1.00 . A A . 7 ILE CD1 1 1 3 849 1 1 7 ILE CG1 C -1.527 0.333 -2.369 1.00 . A A . 7 ILE CG1 1 1 3 850 1 1 7 ILE CG2 C -2.983 1.856 -3.652 1.00 . A A . 7 ILE CG2 1 1 3 851 1 1 7 ILE H H -2.714 0.138 -0.109 1.00 . A A . 7 ILE H 1 1 3 852 1 1 7 ILE HA H -2.058 2.672 -1.161 1.00 . A A . 7 ILE HA 1 1 3 853 1 1 7 ILE HB H -3.648 0.351 -2.287 1.00 . A A . 7 ILE HB 1 1 3 854 1 1 7 ILE HD11 H -1.151 -1.783 -2.334 1.00 . A A . 7 ILE HD11 1 1 3 855 1 1 7 ILE HD12 H -2.742 -1.319 -1.733 1.00 . A A . 7 ILE HD12 1 1 3 856 1 1 7 ILE HD13 H -1.311 -1.049 -0.738 1.00 . A A . 7 ILE HD13 1 1 3 857 1 1 7 ILE HG12 H -1.190 0.230 -3.386 1.00 . A A . 7 ILE HG12 1 1 3 858 1 1 7 ILE HG13 H -0.812 0.902 -1.807 1.00 . A A . 7 ILE HG13 1 1 3 859 1 1 7 ILE HG21 H -3.748 1.412 -4.270 1.00 . A A . 7 ILE HG21 1 1 3 860 1 1 7 ILE HG22 H -2.038 1.835 -4.179 1.00 . A A . 7 ILE HG22 1 1 3 861 1 1 7 ILE HG23 H -3.245 2.877 -3.426 1.00 . A A . 7 ILE HG23 1 1 3 862 1 1 7 ILE N N -2.836 1.097 0.023 1.00 . A A . 7 ILE N 1 1 3 863 1 1 7 ILE O O -4.227 3.989 -1.346 1.00 . A A . 7 ILE O 1 1 3 864 1 1 8 TYR C C -6.406 4.173 0.010 1.00 . A A . 8 TYR C 1 1 3 865 1 1 8 TYR CA C -6.598 2.901 -0.803 1.00 . A A . 8 TYR CA 1 1 3 866 1 1 8 TYR CB C -7.597 1.973 -0.112 1.00 . A A . 8 TYR CB 1 1 3 867 1 1 8 TYR CD1 C -9.130 2.886 1.671 1.00 . A A . 8 TYR CD1 1 1 3 868 1 1 8 TYR CD2 C -9.607 3.396 -0.651 1.00 . A A . 8 TYR CD2 1 1 3 869 1 1 8 TYR CE1 C -10.251 3.626 2.064 1.00 . A A . 8 TYR CE1 1 1 3 870 1 1 8 TYR CE2 C -10.730 4.136 -0.258 1.00 . A A . 8 TYR CE2 1 1 3 871 1 1 8 TYR CG C -8.808 2.771 0.313 1.00 . A A . 8 TYR CG 1 1 3 872 1 1 8 TYR CZ C -11.051 4.251 1.100 1.00 . A A . 8 TYR CZ 1 1 3 873 1 1 8 TYR H H -5.292 1.195 -0.652 1.00 . A A . 8 TYR H 1 1 3 874 1 1 8 TYR HA H -6.938 3.132 -1.797 1.00 . A A . 8 TYR HA 1 1 3 875 1 1 8 TYR HB2 H -7.899 1.196 -0.795 1.00 . A A . 8 TYR HB2 1 1 3 876 1 1 8 TYR HB3 H -7.140 1.530 0.756 1.00 . A A . 8 TYR HB3 1 1 3 877 1 1 8 TYR HD1 H -8.513 2.404 2.414 1.00 . A A . 8 TYR HD1 1 1 3 878 1 1 8 TYR HD2 H -9.359 3.307 -1.699 1.00 . A A . 8 TYR HD2 1 1 3 879 1 1 8 TYR HE1 H -10.499 3.714 3.111 1.00 . A A . 8 TYR HE1 1 1 3 880 1 1 8 TYR HE2 H -11.346 4.619 -1.002 1.00 . A A . 8 TYR HE2 1 1 3 881 1 1 8 TYR HH H -11.892 5.562 2.203 1.00 . A A . 8 TYR HH 1 1 3 882 1 1 8 TYR N N -5.313 2.153 -0.846 1.00 . A A . 8 TYR N 1 1 3 883 1 1 8 TYR O O -6.401 5.268 -0.513 1.00 . A A . 8 TYR O 1 1 3 884 1 1 8 TYR OH O -12.156 4.981 1.487 1.00 . A A . 8 TYR OH 1 1 3 885 1 1 9 ASN C C -4.724 5.914 1.857 1.00 . A A . 9 ASN C 1 1 3 886 1 1 9 ASN CA C -6.060 5.221 2.152 1.00 . A A . 9 ASN CA 1 1 3 887 1 1 9 ASN CB C -6.084 4.689 3.585 1.00 . A A . 9 ASN CB 1 1 3 888 1 1 9 ASN CG C -5.147 3.488 3.726 1.00 . A A . 9 ASN CG 1 1 3 889 1 1 9 ASN H H -6.263 3.137 1.685 1.00 . A A . 9 ASN H 1 1 3 890 1 1 9 ASN HA H -6.871 5.903 2.008 1.00 . A A . 9 ASN HA 1 1 3 891 1 1 9 ASN HB2 H -5.762 5.467 4.254 1.00 . A A . 9 ASN HB2 1 1 3 892 1 1 9 ASN HB3 H -7.090 4.387 3.836 1.00 . A A . 9 ASN HB3 1 1 3 893 1 1 9 ASN HD21 H -3.493 4.584 3.662 1.00 . A A . 9 ASN HD21 1 1 3 894 1 1 9 ASN HD22 H -3.250 2.913 3.826 1.00 . A A . 9 ASN HD22 1 1 3 895 1 1 9 ASN N N -6.248 4.030 1.290 1.00 . A A . 9 ASN N 1 1 3 896 1 1 9 ASN ND2 N -3.856 3.678 3.739 1.00 . A A . 9 ASN ND2 1 1 3 897 1 1 9 ASN O O -4.621 7.124 1.901 1.00 . A A . 9 ASN O 1 1 3 898 1 1 9 ASN OD1 O -5.597 2.367 3.849 1.00 . A A . 9 ASN OD1 1 1 3 899 1 1 10 CYS C C -2.381 6.529 -0.034 1.00 . A A . 10 CYS C 1 1 3 900 1 1 10 CYS CA C -2.374 5.781 1.298 1.00 . A A . 10 CYS CA 1 1 3 901 1 1 10 CYS CB C -1.386 4.613 1.252 1.00 . A A . 10 CYS CB 1 1 3 902 1 1 10 CYS H H -3.795 4.195 1.558 1.00 . A A . 10 CYS H 1 1 3 903 1 1 10 CYS HA H -2.111 6.442 2.091 1.00 . A A . 10 CYS HA 1 1 3 904 1 1 10 CYS HB2 H -1.568 3.954 2.087 1.00 . A A . 10 CYS HB2 1 1 3 905 1 1 10 CYS HB3 H -1.515 4.067 0.328 1.00 . A A . 10 CYS HB3 1 1 3 906 1 1 10 CYS N N -3.699 5.163 1.573 1.00 . A A . 10 CYS N 1 1 3 907 1 1 10 CYS O O -2.226 7.733 -0.082 1.00 . A A . 10 CYS O 1 1 3 908 1 1 10 CYS SG S 0.306 5.242 1.346 1.00 . A A . 10 CYS SG 1 1 3 909 1 1 11 MET C C -3.694 7.486 -2.567 1.00 . A A . 11 MET C 1 1 3 910 1 1 11 MET CA C -2.540 6.488 -2.444 1.00 . A A . 11 MET CA 1 1 3 911 1 1 11 MET CB C -2.692 5.350 -3.442 1.00 . A A . 11 MET CB 1 1 3 912 1 1 11 MET CE C 0.745 6.200 -2.991 1.00 . A A . 11 MET CE 1 1 3 913 1 1 11 MET CG C -1.374 4.577 -3.507 1.00 . A A . 11 MET CG 1 1 3 914 1 1 11 MET H H -2.651 4.854 -1.046 1.00 . A A . 11 MET H 1 1 3 915 1 1 11 MET HA H -1.602 6.981 -2.611 1.00 . A A . 11 MET HA 1 1 3 916 1 1 11 MET HB2 H -3.486 4.693 -3.123 1.00 . A A . 11 MET HB2 1 1 3 917 1 1 11 MET HB3 H -2.921 5.751 -4.415 1.00 . A A . 11 MET HB3 1 1 3 918 1 1 11 MET HE1 H 0.763 5.451 -2.211 1.00 . A A . 11 MET HE1 1 1 3 919 1 1 11 MET HE2 H 0.258 7.087 -2.623 1.00 . A A . 11 MET HE2 1 1 3 920 1 1 11 MET HE3 H 1.756 6.444 -3.287 1.00 . A A . 11 MET HE3 1 1 3 921 1 1 11 MET HG2 H -1.012 4.392 -2.504 1.00 . A A . 11 MET HG2 1 1 3 922 1 1 11 MET HG3 H -1.531 3.639 -4.009 1.00 . A A . 11 MET HG3 1 1 3 923 1 1 11 MET N N -2.541 5.824 -1.111 1.00 . A A . 11 MET N 1 1 3 924 1 1 11 MET O O -3.487 8.663 -2.783 1.00 . A A . 11 MET O 1 1 3 925 1 1 11 MET SD S -0.158 5.558 -4.421 1.00 . A A . 11 MET SD 1 1 3 926 1 1 12 ASN C C -5.818 9.232 -1.745 1.00 . A A . 12 ASN C 1 1 3 927 1 1 12 ASN CA C -6.070 7.958 -2.552 1.00 . A A . 12 ASN CA 1 1 3 928 1 1 12 ASN CB C -7.258 7.188 -1.973 1.00 . A A . 12 ASN CB 1 1 3 929 1 1 12 ASN CG C -8.561 7.881 -2.375 1.00 . A A . 12 ASN CG 1 1 3 930 1 1 12 ASN H H -5.051 6.075 -2.266 1.00 . A A . 12 ASN H 1 1 3 931 1 1 12 ASN HA H -6.257 8.199 -3.583 1.00 . A A . 12 ASN HA 1 1 3 932 1 1 12 ASN HB2 H -7.253 6.177 -2.355 1.00 . A A . 12 ASN HB2 1 1 3 933 1 1 12 ASN HB3 H -7.182 7.168 -0.896 1.00 . A A . 12 ASN HB3 1 1 3 934 1 1 12 ASN HD21 H -9.284 7.902 -0.525 1.00 . A A . 12 ASN HD21 1 1 3 935 1 1 12 ASN HD22 H -10.292 8.590 -1.705 1.00 . A A . 12 ASN HD22 1 1 3 936 1 1 12 ASN N N -4.907 7.028 -2.436 1.00 . A A . 12 ASN N 1 1 3 937 1 1 12 ASN ND2 N -9.453 8.147 -1.459 1.00 . A A . 12 ASN ND2 1 1 3 938 1 1 12 ASN O O -5.675 10.310 -2.289 1.00 . A A . 12 ASN O 1 1 3 939 1 1 12 ASN OD1 O -8.771 8.183 -3.532 1.00 . A A . 12 ASN OD1 1 1 3 940 1 1 13 SER C C -5.741 9.947 1.879 1.00 . A A . 13 SER C 1 1 3 941 1 1 13 SER CA C -5.528 10.308 0.407 1.00 . A A . 13 SER CA 1 1 3 942 1 1 13 SER CB C -6.559 11.341 -0.048 1.00 . A A . 13 SER CB 1 1 3 943 1 1 13 SER H H -5.885 8.239 -0.037 1.00 . A A . 13 SER H 1 1 3 944 1 1 13 SER HA H -4.533 10.683 0.251 1.00 . A A . 13 SER HA 1 1 3 945 1 1 13 SER HB2 H -7.317 10.859 -0.642 1.00 . A A . 13 SER HB2 1 1 3 946 1 1 13 SER HB3 H -7.021 11.793 0.820 1.00 . A A . 13 SER HB3 1 1 3 947 1 1 13 SER HG H -6.097 13.192 -0.433 1.00 . A A . 13 SER HG 1 1 3 948 1 1 13 SER N N -5.767 9.115 -0.449 1.00 . A A . 13 SER N 1 1 3 949 1 1 13 SER O O -6.836 10.031 2.397 1.00 . A A . 13 SER O 1 1 3 950 1 1 13 SER OG O -5.914 12.338 -0.830 1.00 . A A . 13 SER OG 1 1 3 951 1 1 14 GLY C C -3.491 8.651 4.477 1.00 . A A . 14 GLY C 1 1 3 952 1 1 14 GLY CA C -4.835 9.170 3.979 1.00 . A A . 14 GLY CA 1 1 3 953 1 1 14 GLY H H -3.833 9.476 2.126 1.00 . A A . 14 GLY H 1 1 3 954 1 1 14 GLY HA2 H -5.125 10.039 4.548 1.00 . A A . 14 GLY HA2 1 1 3 955 1 1 14 GLY HA3 H -5.575 8.398 4.079 1.00 . A A . 14 GLY HA3 1 1 3 956 1 1 14 GLY N N -4.702 9.541 2.554 1.00 . A A . 14 GLY N 1 1 3 957 1 1 14 GLY O O -3.302 7.467 4.677 1.00 . A A . 14 GLY O 1 1 3 958 1 1 15 GLY C C -0.534 8.269 4.067 1.00 . A A . 15 GLY C 1 1 3 959 1 1 15 GLY CA C -1.218 9.105 5.148 1.00 . A A . 15 GLY CA 1 1 3 960 1 1 15 GLY H H -2.729 10.473 4.502 1.00 . A A . 15 GLY H 1 1 3 961 1 1 15 GLY HA2 H -0.620 9.980 5.365 1.00 . A A . 15 GLY HA2 1 1 3 962 1 1 15 GLY HA3 H -1.336 8.515 6.038 1.00 . A A . 15 GLY HA3 1 1 3 963 1 1 15 GLY N N -2.553 9.531 4.672 1.00 . A A . 15 GLY N 1 1 3 964 1 1 15 GLY O O -0.698 7.067 3.998 1.00 . A A . 15 GLY O 1 1 3 965 1 1 16 GLY C C 1.852 9.107 1.382 1.00 . A A . 16 GLY C 1 1 3 966 1 1 16 GLY CA C 0.931 8.155 2.146 1.00 . A A . 16 GLY CA 1 1 3 967 1 1 16 GLY H H 0.355 9.858 3.292 1.00 . A A . 16 GLY H 1 1 3 968 1 1 16 GLY HA2 H 1.514 7.362 2.585 1.00 . A A . 16 GLY HA2 1 1 3 969 1 1 16 GLY HA3 H 0.202 7.743 1.469 1.00 . A A . 16 GLY HA3 1 1 3 970 1 1 16 GLY N N 0.236 8.898 3.221 1.00 . A A . 16 GLY N 1 1 3 971 1 1 16 GLY O O 1.444 9.760 0.442 1.00 . A A . 16 GLY O 1 1 3 972 1 1 17 LEU C C 4.462 9.520 -0.264 1.00 . A A . 17 LEU C 1 1 3 973 1 1 17 LEU CA C 4.036 10.111 1.081 1.00 . A A . 17 LEU CA 1 1 3 974 1 1 17 LEU CB C 5.231 10.233 2.013 1.00 . A A . 17 LEU CB 1 1 3 975 1 1 17 LEU CD1 C 7.260 8.841 1.729 1.00 . A A . 17 LEU CD1 1 1 3 976 1 1 17 LEU CD2 C 5.800 8.545 3.735 1.00 . A A . 17 LEU CD2 1 1 3 977 1 1 17 LEU CG C 5.825 8.854 2.241 1.00 . A A . 17 LEU CG 1 1 3 978 1 1 17 LEU H H 3.398 8.664 2.545 1.00 . A A . 17 LEU H 1 1 3 979 1 1 17 LEU HA H 3.593 11.074 0.945 1.00 . A A . 17 LEU HA 1 1 3 980 1 1 17 LEU HB2 H 5.973 10.878 1.566 1.00 . A A . 17 LEU HB2 1 1 3 981 1 1 17 LEU HB3 H 4.912 10.648 2.958 1.00 . A A . 17 LEU HB3 1 1 3 982 1 1 17 LEU HD11 H 7.704 7.878 1.927 1.00 . A A . 17 LEU HD11 1 1 3 983 1 1 17 LEU HD12 H 7.826 9.611 2.229 1.00 . A A . 17 LEU HD12 1 1 3 984 1 1 17 LEU HD13 H 7.260 9.026 0.665 1.00 . A A . 17 LEU HD13 1 1 3 985 1 1 17 LEU HD21 H 6.384 9.284 4.263 1.00 . A A . 17 LEU HD21 1 1 3 986 1 1 17 LEU HD22 H 6.217 7.565 3.905 1.00 . A A . 17 LEU HD22 1 1 3 987 1 1 17 LEU HD23 H 4.780 8.572 4.089 1.00 . A A . 17 LEU HD23 1 1 3 988 1 1 17 LEU HG H 5.243 8.117 1.709 1.00 . A A . 17 LEU HG 1 1 3 989 1 1 17 LEU N N 3.091 9.196 1.782 1.00 . A A . 17 LEU N 1 1 3 990 1 1 17 LEU O O 4.851 10.234 -1.168 1.00 . A A . 17 LEU O 1 1 3 991 1 1 18 SER C C 3.871 6.453 -2.064 1.00 . A A . 18 SER C 1 1 3 992 1 1 18 SER CA C 4.808 7.601 -1.696 1.00 . A A . 18 SER CA 1 1 3 993 1 1 18 SER CB C 6.219 7.074 -1.453 1.00 . A A . 18 SER CB 1 1 3 994 1 1 18 SER H H 4.089 7.662 0.332 1.00 . A A . 18 SER H 1 1 3 995 1 1 18 SER HA H 4.825 8.333 -2.483 1.00 . A A . 18 SER HA 1 1 3 996 1 1 18 SER HB2 H 6.425 7.073 -0.398 1.00 . A A . 18 SER HB2 1 1 3 997 1 1 18 SER HB3 H 6.295 6.064 -1.834 1.00 . A A . 18 SER HB3 1 1 3 998 1 1 18 SER HG H 6.927 7.940 -3.045 1.00 . A A . 18 SER HG 1 1 3 999 1 1 18 SER N N 4.400 8.224 -0.407 1.00 . A A . 18 SER N 1 1 3 1000 1 1 18 SER O O 2.820 6.275 -1.482 1.00 . A A . 18 SER O 1 1 3 1001 1 1 18 SER OG O 7.155 7.916 -2.112 1.00 . A A . 18 SER OG 1 1 3 1002 1 1 19 PHE C C 4.098 3.228 -3.074 1.00 . A A . 19 PHE C 1 1 3 1003 1 1 19 PHE CA C 3.421 4.529 -3.475 1.00 . A A . 19 PHE CA 1 1 3 1004 1 1 19 PHE CB C 3.377 4.670 -4.997 1.00 . A A . 19 PHE CB 1 1 3 1005 1 1 19 PHE CD1 C 1.718 3.004 -5.914 1.00 . A A . 19 PHE CD1 1 1 3 1006 1 1 19 PHE CD2 C 4.078 2.454 -5.970 1.00 . A A . 19 PHE CD2 1 1 3 1007 1 1 19 PHE CE1 C 1.418 1.780 -6.518 1.00 . A A . 19 PHE CE1 1 1 3 1008 1 1 19 PHE CE2 C 3.777 1.228 -6.572 1.00 . A A . 19 PHE CE2 1 1 3 1009 1 1 19 PHE CG C 3.048 3.343 -5.640 1.00 . A A . 19 PHE CG 1 1 3 1010 1 1 19 PHE CZ C 2.448 0.892 -6.847 1.00 . A A . 19 PHE CZ 1 1 3 1011 1 1 19 PHE H H 5.115 5.854 -3.475 1.00 . A A . 19 PHE H 1 1 3 1012 1 1 19 PHE HA H 2.430 4.588 -3.061 1.00 . A A . 19 PHE HA 1 1 3 1013 1 1 19 PHE HB2 H 2.626 5.392 -5.265 1.00 . A A . 19 PHE HB2 1 1 3 1014 1 1 19 PHE HB3 H 4.340 5.008 -5.350 1.00 . A A . 19 PHE HB3 1 1 3 1015 1 1 19 PHE HD1 H 0.924 3.687 -5.660 1.00 . A A . 19 PHE HD1 1 1 3 1016 1 1 19 PHE HD2 H 5.103 2.715 -5.759 1.00 . A A . 19 PHE HD2 1 1 3 1017 1 1 19 PHE HE1 H 0.391 1.519 -6.726 1.00 . A A . 19 PHE HE1 1 1 3 1018 1 1 19 PHE HE2 H 4.572 0.543 -6.823 1.00 . A A . 19 PHE HE2 1 1 3 1019 1 1 19 PHE HZ H 2.216 -0.054 -7.315 1.00 . A A . 19 PHE HZ 1 1 3 1020 1 1 19 PHE N N 4.259 5.679 -3.032 1.00 . A A . 19 PHE N 1 1 3 1021 1 1 19 PHE O O 3.577 2.444 -2.308 1.00 . A A . 19 PHE O 1 1 3 1022 1 1 20 ILE C C 5.981 1.547 -1.738 1.00 . A A . 20 ILE C 1 1 3 1023 1 1 20 ILE CA C 6.003 1.759 -3.252 1.00 . A A . 20 ILE CA 1 1 3 1024 1 1 20 ILE CB C 7.429 1.997 -3.742 1.00 . A A . 20 ILE CB 1 1 3 1025 1 1 20 ILE CD1 C 9.413 3.469 -3.370 1.00 . A A . 20 ILE CD1 1 1 3 1026 1 1 20 ILE CG1 C 7.886 3.397 -3.323 1.00 . A A . 20 ILE CG1 1 1 3 1027 1 1 20 ILE CG2 C 7.477 1.883 -5.266 1.00 . A A . 20 ILE CG2 1 1 3 1028 1 1 20 ILE H H 5.653 3.662 -4.205 1.00 . A A . 20 ILE H 1 1 3 1029 1 1 20 ILE HA H 5.570 0.912 -3.760 1.00 . A A . 20 ILE HA 1 1 3 1030 1 1 20 ILE HB H 8.085 1.258 -3.307 1.00 . A A . 20 ILE HB 1 1 3 1031 1 1 20 ILE HD11 H 9.829 2.679 -2.763 1.00 . A A . 20 ILE HD11 1 1 3 1032 1 1 20 ILE HD12 H 9.740 4.425 -2.990 1.00 . A A . 20 ILE HD12 1 1 3 1033 1 1 20 ILE HD13 H 9.747 3.353 -4.390 1.00 . A A . 20 ILE HD13 1 1 3 1034 1 1 20 ILE HG12 H 7.469 4.129 -4.000 1.00 . A A . 20 ILE HG12 1 1 3 1035 1 1 20 ILE HG13 H 7.549 3.601 -2.318 1.00 . A A . 20 ILE HG13 1 1 3 1036 1 1 20 ILE HG21 H 7.663 2.856 -5.694 1.00 . A A . 20 ILE HG21 1 1 3 1037 1 1 20 ILE HG22 H 6.533 1.503 -5.629 1.00 . A A . 20 ILE HG22 1 1 3 1038 1 1 20 ILE HG23 H 8.270 1.207 -5.552 1.00 . A A . 20 ILE HG23 1 1 3 1039 1 1 20 ILE N N 5.264 3.004 -3.592 1.00 . A A . 20 ILE N 1 1 3 1040 1 1 20 ILE O O 6.119 0.440 -1.255 1.00 . A A . 20 ILE O 1 1 3 1041 1 1 21 GLN C C 4.388 1.990 0.949 1.00 . A A . 21 GLN C 1 1 3 1042 1 1 21 GLN CA C 5.774 2.451 0.497 1.00 . A A . 21 GLN CA 1 1 3 1043 1 1 21 GLN CB C 6.077 3.845 1.046 1.00 . A A . 21 GLN CB 1 1 3 1044 1 1 21 GLN CD C 8.446 4.572 1.342 1.00 . A A . 21 GLN CD 1 1 3 1045 1 1 21 GLN CG C 7.306 4.413 0.339 1.00 . A A . 21 GLN CG 1 1 3 1046 1 1 21 GLN H H 5.697 3.485 -1.393 1.00 . A A . 21 GLN H 1 1 3 1047 1 1 21 GLN HA H 6.530 1.755 0.822 1.00 . A A . 21 GLN HA 1 1 3 1048 1 1 21 GLN HB2 H 5.229 4.493 0.874 1.00 . A A . 21 GLN HB2 1 1 3 1049 1 1 21 GLN HB3 H 6.272 3.781 2.106 1.00 . A A . 21 GLN HB3 1 1 3 1050 1 1 21 GLN HE21 H 9.859 4.175 0.007 1.00 . A A . 21 GLN HE21 1 1 3 1051 1 1 21 GLN HE22 H 10.414 4.500 1.576 1.00 . A A . 21 GLN HE22 1 1 3 1052 1 1 21 GLN HG2 H 7.611 3.740 -0.448 1.00 . A A . 21 GLN HG2 1 1 3 1053 1 1 21 GLN HG3 H 7.064 5.375 -0.084 1.00 . A A . 21 GLN HG3 1 1 3 1054 1 1 21 GLN N N 5.807 2.599 -0.984 1.00 . A A . 21 GLN N 1 1 3 1055 1 1 21 GLN NE2 N 9.676 4.402 0.943 1.00 . A A . 21 GLN NE2 1 1 3 1056 1 1 21 GLN O O 4.130 1.824 2.125 1.00 . A A . 21 GLN O 1 1 3 1057 1 1 21 GLN OE1 O 8.218 4.854 2.502 1.00 . A A . 21 GLN OE1 1 1 3 1058 1 1 22 CYS C C 1.637 0.257 -0.565 1.00 . A A . 22 CYS C 1 1 3 1059 1 1 22 CYS CA C 2.126 1.342 0.395 1.00 . A A . 22 CYS CA 1 1 3 1060 1 1 22 CYS CB C 1.269 2.594 0.255 1.00 . A A . 22 CYS CB 1 1 3 1061 1 1 22 CYS H H 3.711 1.928 -0.913 1.00 . A A . 22 CYS H 1 1 3 1062 1 1 22 CYS HA H 2.106 0.987 1.412 1.00 . A A . 22 CYS HA 1 1 3 1063 1 1 22 CYS HB2 H 1.605 3.165 -0.599 1.00 . A A . 22 CYS HB2 1 1 3 1064 1 1 22 CYS HB3 H 0.242 2.307 0.110 1.00 . A A . 22 CYS HB3 1 1 3 1065 1 1 22 CYS N N 3.491 1.785 0.024 1.00 . A A . 22 CYS N 1 1 3 1066 1 1 22 CYS O O 0.999 -0.697 -0.163 1.00 . A A . 22 CYS O 1 1 3 1067 1 1 22 CYS SG S 1.415 3.603 1.750 1.00 . A A . 22 CYS SG 1 1 3 1068 1 1 23 LYS C C 2.270 -1.929 -2.621 1.00 . A A . 23 LYS C 1 1 3 1069 1 1 23 LYS CA C 1.461 -0.642 -2.799 1.00 . A A . 23 LYS CA 1 1 3 1070 1 1 23 LYS CB C 1.707 -0.037 -4.178 1.00 . A A . 23 LYS CB 1 1 3 1071 1 1 23 LYS CD C 2.211 -1.840 -5.814 1.00 . A A . 23 LYS CD 1 1 3 1072 1 1 23 LYS CE C 1.697 -2.535 -7.078 1.00 . A A . 23 LYS CE 1 1 3 1073 1 1 23 LYS CG C 1.106 -0.961 -5.235 1.00 . A A . 23 LYS CG 1 1 3 1074 1 1 23 LYS H H 2.437 1.162 -2.152 1.00 . A A . 23 LYS H 1 1 3 1075 1 1 23 LYS HA H 0.412 -0.835 -2.670 1.00 . A A . 23 LYS HA 1 1 3 1076 1 1 23 LYS HB2 H 1.237 0.934 -4.235 1.00 . A A . 23 LYS HB2 1 1 3 1077 1 1 23 LYS HB3 H 2.768 0.061 -4.348 1.00 . A A . 23 LYS HB3 1 1 3 1078 1 1 23 LYS HD2 H 3.065 -1.224 -6.060 1.00 . A A . 23 LYS HD2 1 1 3 1079 1 1 23 LYS HD3 H 2.498 -2.581 -5.086 1.00 . A A . 23 LYS HD3 1 1 3 1080 1 1 23 LYS HE2 H 0.979 -3.301 -6.817 1.00 . A A . 23 LYS HE2 1 1 3 1081 1 1 23 LYS HE3 H 1.254 -1.815 -7.749 1.00 . A A . 23 LYS HE3 1 1 3 1082 1 1 23 LYS HG2 H 0.349 -1.585 -4.780 1.00 . A A . 23 LYS HG2 1 1 3 1083 1 1 23 LYS HG3 H 0.664 -0.373 -6.023 1.00 . A A . 23 LYS HG3 1 1 3 1084 1 1 23 LYS HZ1 H 3.642 -3.271 -6.986 1.00 . A A . 23 LYS HZ1 1 1 3 1085 1 1 23 LYS HZ2 H 3.255 -2.515 -8.457 1.00 . A A . 23 LYS HZ2 1 1 3 1086 1 1 23 LYS HZ3 H 2.655 -4.067 -8.111 1.00 . A A . 23 LYS HZ3 1 1 3 1087 1 1 23 LYS N N 1.923 0.389 -1.834 1.00 . A A . 23 LYS N 1 1 3 1088 1 1 23 LYS NZ N 2.904 -3.142 -7.705 1.00 . A A . 23 LYS NZ 1 1 3 1089 1 1 23 LYS O O 1.904 -2.977 -3.114 1.00 . A A . 23 LYS O 1 1 3 1090 1 1 24 THR C C 4.572 -3.239 -0.239 1.00 . A A . 24 THR C 1 1 3 1091 1 1 24 THR CA C 4.202 -3.077 -1.716 1.00 . A A . 24 THR CA 1 1 3 1092 1 1 24 THR CB C 5.456 -2.848 -2.560 1.00 . A A . 24 THR CB 1 1 3 1093 1 1 24 THR CG2 C 6.294 -4.127 -2.593 1.00 . A A . 24 THR CG2 1 1 3 1094 1 1 24 THR H H 3.650 -1.001 -1.534 1.00 . A A . 24 THR H 1 1 3 1095 1 1 24 THR HA H 3.678 -3.950 -2.068 1.00 . A A . 24 THR HA 1 1 3 1096 1 1 24 THR HB H 6.042 -2.052 -2.127 1.00 . A A . 24 THR HB 1 1 3 1097 1 1 24 THR HG1 H 5.722 -2.867 -4.487 1.00 . A A . 24 THR HG1 1 1 3 1098 1 1 24 THR HG21 H 5.741 -4.931 -2.129 1.00 . A A . 24 THR HG21 1 1 3 1099 1 1 24 THR HG22 H 7.217 -3.968 -2.056 1.00 . A A . 24 THR HG22 1 1 3 1100 1 1 24 THR HG23 H 6.513 -4.388 -3.618 1.00 . A A . 24 THR HG23 1 1 3 1101 1 1 24 THR N N 3.371 -1.856 -1.922 1.00 . A A . 24 THR N 1 1 3 1102 1 1 24 THR O O 4.768 -4.339 0.242 1.00 . A A . 24 THR O 1 1 3 1103 1 1 24 THR OG1 O 5.077 -2.493 -3.882 1.00 . A A . 24 THR OG1 1 1 3 1104 1 1 25 MET C C 4.024 -3.135 2.666 1.00 . A A . 25 MET C 1 1 3 1105 1 1 25 MET CA C 5.037 -2.267 1.925 1.00 . A A . 25 MET CA 1 1 3 1106 1 1 25 MET CB C 5.002 -0.836 2.454 1.00 . A A . 25 MET CB 1 1 3 1107 1 1 25 MET CE C 6.370 1.708 4.501 1.00 . A A . 25 MET CE 1 1 3 1108 1 1 25 MET CG C 6.427 -0.369 2.753 1.00 . A A . 25 MET CG 1 1 3 1109 1 1 25 MET H H 4.518 -1.282 0.090 1.00 . A A . 25 MET H 1 1 3 1110 1 1 25 MET HA H 6.025 -2.670 2.026 1.00 . A A . 25 MET HA 1 1 3 1111 1 1 25 MET HB2 H 4.559 -0.192 1.711 1.00 . A A . 25 MET HB2 1 1 3 1112 1 1 25 MET HB3 H 4.415 -0.800 3.360 1.00 . A A . 25 MET HB3 1 1 3 1113 1 1 25 MET HE1 H 6.855 2.118 3.626 1.00 . A A . 25 MET HE1 1 1 3 1114 1 1 25 MET HE2 H 6.802 2.144 5.387 1.00 . A A . 25 MET HE2 1 1 3 1115 1 1 25 MET HE3 H 5.313 1.928 4.471 1.00 . A A . 25 MET HE3 1 1 3 1116 1 1 25 MET HG2 H 7.127 -1.127 2.436 1.00 . A A . 25 MET HG2 1 1 3 1117 1 1 25 MET HG3 H 6.623 0.548 2.221 1.00 . A A . 25 MET HG3 1 1 3 1118 1 1 25 MET N N 4.674 -2.160 0.488 1.00 . A A . 25 MET N 1 1 3 1119 1 1 25 MET O O 4.359 -4.155 3.234 1.00 . A A . 25 MET O 1 1 3 1120 1 1 25 MET SD S 6.608 -0.087 4.532 1.00 . A A . 25 MET SD 1 1 3 1121 1 1 26 CYS C C 1.877 -5.015 2.999 1.00 . A A . 26 CYS C 1 1 3 1122 1 1 26 CYS CA C 1.747 -3.536 3.372 1.00 . A A . 26 CYS CA 1 1 3 1123 1 1 26 CYS CB C 0.411 -2.974 2.887 1.00 . A A . 26 CYS CB 1 1 3 1124 1 1 26 CYS H H 2.543 -1.905 2.199 1.00 . A A . 26 CYS H 1 1 3 1125 1 1 26 CYS HA H 1.834 -3.407 4.439 1.00 . A A . 26 CYS HA 1 1 3 1126 1 1 26 CYS HB2 H 0.588 -2.241 2.114 1.00 . A A . 26 CYS HB2 1 1 3 1127 1 1 26 CYS HB3 H -0.194 -3.775 2.491 1.00 . A A . 26 CYS HB3 1 1 3 1128 1 1 26 CYS N N 2.787 -2.735 2.665 1.00 . A A . 26 CYS N 1 1 3 1129 1 1 26 CYS O O 1.631 -5.405 1.875 1.00 . A A . 26 CYS O 1 1 3 1130 1 1 26 CYS SG S -0.453 -2.195 4.272 1.00 . A A . 26 CYS SG 1 1 3 1131 1 1 27 TYR C C 1.131 -7.832 2.984 1.00 . A A . 27 TYR C 1 1 3 1132 1 1 27 TYR CA C 2.411 -7.293 3.629 1.00 . A A . 27 TYR CA 1 1 3 1133 1 1 27 TYR CB C 2.649 -7.961 4.984 1.00 . A A . 27 TYR CB 1 1 3 1134 1 1 27 TYR CD1 C 2.323 -10.331 5.783 1.00 . A A . 27 TYR CD1 1 1 3 1135 1 1 27 TYR CD2 C 3.353 -9.959 3.619 1.00 . A A . 27 TYR CD2 1 1 3 1136 1 1 27 TYR CE1 C 2.442 -11.714 5.602 1.00 . A A . 27 TYR CE1 1 1 3 1137 1 1 27 TYR CE2 C 3.472 -11.342 3.438 1.00 . A A . 27 TYR CE2 1 1 3 1138 1 1 27 TYR CG C 2.777 -9.453 4.791 1.00 . A A . 27 TYR CG 1 1 3 1139 1 1 27 TYR CZ C 3.017 -12.219 4.430 1.00 . A A . 27 TYR CZ 1 1 3 1140 1 1 27 TYR H H 2.457 -5.506 4.834 1.00 . A A . 27 TYR H 1 1 3 1141 1 1 27 TYR HA H 3.258 -7.458 2.984 1.00 . A A . 27 TYR HA 1 1 3 1142 1 1 27 TYR HB2 H 3.559 -7.574 5.422 1.00 . A A . 27 TYR HB2 1 1 3 1143 1 1 27 TYR HB3 H 1.814 -7.754 5.639 1.00 . A A . 27 TYR HB3 1 1 3 1144 1 1 27 TYR HD1 H 1.880 -9.940 6.687 1.00 . A A . 27 TYR HD1 1 1 3 1145 1 1 27 TYR HD2 H 3.703 -9.282 2.854 1.00 . A A . 27 TYR HD2 1 1 3 1146 1 1 27 TYR HE1 H 2.091 -12.390 6.368 1.00 . A A . 27 TYR HE1 1 1 3 1147 1 1 27 TYR HE2 H 3.915 -11.733 2.535 1.00 . A A . 27 TYR HE2 1 1 3 1148 1 1 27 TYR HH H 2.770 -13.802 3.391 1.00 . A A . 27 TYR HH 1 1 3 1149 1 1 27 TYR N N 2.263 -5.840 3.934 1.00 . A A . 27 TYR N 1 1 3 1150 1 1 27 TYR O O 1.118 -7.973 1.772 1.00 . A A . 27 TYR O 1 1 3 1151 1 1 27 TYR OXT O 0.189 -8.095 3.712 1.00 . A A . 27 TYR OXT 1 1 3 1152 1 1 27 TYR OH O 3.135 -13.583 4.252 1.00 . A A . 27 TYR OH 1 1 4 1153 1 1 1 GLY C C -3.768 -7.654 4.154 1.00 . A A . 1 GLY C 1 1 4 1154 1 1 1 GLY CA C -3.551 -9.099 3.703 1.00 . A A . 1 GLY CA 1 1 4 1155 1 1 1 GLY H1 H -4.479 -10.894 4.209 1.00 . A A . 1 GLY H1 1 1 4 1156 1 1 1 GLY H2 H -5.422 -9.880 3.225 1.00 . A A . 1 GLY H2 1 1 4 1157 1 1 1 GLY H3 H -5.221 -9.521 4.873 1.00 . A A . 1 GLY H3 1 1 4 1158 1 1 1 GLY HA2 H -2.693 -9.514 4.215 1.00 . A A . 1 GLY HA2 1 1 4 1159 1 1 1 GLY HA3 H -3.379 -9.118 2.638 1.00 . A A . 1 GLY HA3 1 1 4 1160 1 1 1 GLY N N -4.759 -9.910 4.028 1.00 . A A . 1 GLY N 1 1 4 1161 1 1 1 GLY O O -3.499 -7.299 5.285 1.00 . A A . 1 GLY O 1 1 4 1162 1 1 2 GLY C C -4.104 -4.486 2.487 1.00 . A A . 2 GLY C 1 1 4 1163 1 1 2 GLY CA C -4.487 -5.394 3.657 1.00 . A A . 2 GLY CA 1 1 4 1164 1 1 2 GLY H H -4.463 -7.124 2.373 1.00 . A A . 2 GLY H 1 1 4 1165 1 1 2 GLY HA2 H -5.532 -5.253 3.897 1.00 . A A . 2 GLY HA2 1 1 4 1166 1 1 2 GLY HA3 H -3.883 -5.146 4.515 1.00 . A A . 2 GLY HA3 1 1 4 1167 1 1 2 GLY N N -4.254 -6.817 3.279 1.00 . A A . 2 GLY N 1 1 4 1168 1 1 2 GLY O O -4.525 -3.350 2.408 1.00 . A A . 2 GLY O 1 1 4 1169 1 1 3 LEU C C -4.102 -3.384 -0.144 1.00 . A A . 3 LEU C 1 1 4 1170 1 1 3 LEU CA C -2.897 -4.145 0.413 1.00 . A A . 3 LEU CA 1 1 4 1171 1 1 3 LEU CB C -2.367 -5.140 -0.620 1.00 . A A . 3 LEU CB 1 1 4 1172 1 1 3 LEU CD1 C -0.820 -7.100 -0.719 1.00 . A A . 3 LEU CD1 1 1 4 1173 1 1 3 LEU CD2 C 0.104 -4.781 -0.652 1.00 . A A . 3 LEU CD2 1 1 4 1174 1 1 3 LEU CG C -1.020 -5.692 -0.154 1.00 . A A . 3 LEU CG 1 1 4 1175 1 1 3 LEU H H -2.980 -5.900 1.661 1.00 . A A . 3 LEU H 1 1 4 1176 1 1 3 LEU HA H -2.120 -3.460 0.696 1.00 . A A . 3 LEU HA 1 1 4 1177 1 1 3 LEU HB2 H -3.072 -5.952 -0.731 1.00 . A A . 3 LEU HB2 1 1 4 1178 1 1 3 LEU HB3 H -2.240 -4.642 -1.569 1.00 . A A . 3 LEU HB3 1 1 4 1179 1 1 3 LEU HD11 H 0.025 -7.566 -0.235 1.00 . A A . 3 LEU HD11 1 1 4 1180 1 1 3 LEU HD12 H -0.640 -7.039 -1.781 1.00 . A A . 3 LEU HD12 1 1 4 1181 1 1 3 LEU HD13 H -1.707 -7.689 -0.537 1.00 . A A . 3 LEU HD13 1 1 4 1182 1 1 3 LEU HD21 H 1.045 -5.109 -0.235 1.00 . A A . 3 LEU HD21 1 1 4 1183 1 1 3 LEU HD22 H -0.092 -3.765 -0.344 1.00 . A A . 3 LEU HD22 1 1 4 1184 1 1 3 LEU HD23 H 0.154 -4.828 -1.731 1.00 . A A . 3 LEU HD23 1 1 4 1185 1 1 3 LEU HG H -1.002 -5.732 0.927 1.00 . A A . 3 LEU HG 1 1 4 1186 1 1 3 LEU N N -3.308 -4.980 1.577 1.00 . A A . 3 LEU N 1 1 4 1187 1 1 3 LEU O O -4.048 -2.193 -0.374 1.00 . A A . 3 LEU O 1 1 4 1188 1 1 4 GLY C C -6.610 -2.059 -0.203 1.00 . A A . 4 GLY C 1 1 4 1189 1 1 4 GLY CA C -6.400 -3.399 -0.906 1.00 . A A . 4 GLY CA 1 1 4 1190 1 1 4 GLY H H -5.203 -5.027 -0.172 1.00 . A A . 4 GLY H 1 1 4 1191 1 1 4 GLY HA2 H -6.271 -3.234 -1.963 1.00 . A A . 4 GLY HA2 1 1 4 1192 1 1 4 GLY HA3 H -7.263 -4.028 -0.739 1.00 . A A . 4 GLY HA3 1 1 4 1193 1 1 4 GLY N N -5.187 -4.068 -0.363 1.00 . A A . 4 GLY N 1 1 4 1194 1 1 4 GLY O O -6.478 -1.006 -0.795 1.00 . A A . 4 GLY O 1 1 4 1195 1 1 5 ARG C C -5.855 -0.070 2.000 1.00 . A A . 5 ARG C 1 1 4 1196 1 1 5 ARG CA C -7.173 -0.820 1.804 1.00 . A A . 5 ARG CA 1 1 4 1197 1 1 5 ARG CB C -7.757 -1.251 3.149 1.00 . A A . 5 ARG CB 1 1 4 1198 1 1 5 ARG CD C -9.957 -1.039 1.967 1.00 . A A . 5 ARG CD 1 1 4 1199 1 1 5 ARG CG C -9.200 -0.750 3.268 1.00 . A A . 5 ARG CG 1 1 4 1200 1 1 5 ARG CZ C -10.090 0.416 0.026 1.00 . A A . 5 ARG CZ 1 1 4 1201 1 1 5 ARG H H -7.047 -2.952 1.508 1.00 . A A . 5 ARG H 1 1 4 1202 1 1 5 ARG HA H -7.879 -0.197 1.280 1.00 . A A . 5 ARG HA 1 1 4 1203 1 1 5 ARG HB2 H -7.743 -2.330 3.217 1.00 . A A . 5 ARG HB2 1 1 4 1204 1 1 5 ARG HB3 H -7.167 -0.833 3.949 1.00 . A A . 5 ARG HB3 1 1 4 1205 1 1 5 ARG HD2 H -9.375 -1.691 1.332 1.00 . A A . 5 ARG HD2 1 1 4 1206 1 1 5 ARG HD3 H -10.919 -1.480 2.181 1.00 . A A . 5 ARG HD3 1 1 4 1207 1 1 5 ARG HE H -10.293 1.086 1.885 1.00 . A A . 5 ARG HE 1 1 4 1208 1 1 5 ARG HG2 H -9.689 -1.255 4.088 1.00 . A A . 5 ARG HG2 1 1 4 1209 1 1 5 ARG HG3 H -9.197 0.313 3.450 1.00 . A A . 5 ARG HG3 1 1 4 1210 1 1 5 ARG HH11 H -8.672 -0.975 -0.218 1.00 . A A . 5 ARG HH11 1 1 4 1211 1 1 5 ARG HH12 H -9.235 -0.218 -1.669 1.00 . A A . 5 ARG HH12 1 1 4 1212 1 1 5 ARG HH21 H -11.481 1.856 -0.041 1.00 . A A . 5 ARG HH21 1 1 4 1213 1 1 5 ARG HH22 H -10.821 1.379 -1.570 1.00 . A A . 5 ARG HH22 1 1 4 1214 1 1 5 ARG N N -6.944 -2.091 1.056 1.00 . A A . 5 ARG N 1 1 4 1215 1 1 5 ARG NE N -10.138 0.294 1.327 1.00 . A A . 5 ARG NE 1 1 4 1216 1 1 5 ARG NH1 N -9.269 -0.318 -0.674 1.00 . A A . 5 ARG NH1 1 1 4 1217 1 1 5 ARG NH2 N -10.858 1.284 -0.575 1.00 . A A . 5 ARG NH2 1 1 4 1218 1 1 5 ARG O O -5.822 1.143 2.044 1.00 . A A . 5 ARG O 1 1 4 1219 1 1 6 CYS C C -3.320 1.009 1.239 1.00 . A A . 6 CYS C 1 1 4 1220 1 1 6 CYS CA C -3.460 -0.090 2.288 1.00 . A A . 6 CYS CA 1 1 4 1221 1 1 6 CYS CB C -2.407 -1.174 2.069 1.00 . A A . 6 CYS CB 1 1 4 1222 1 1 6 CYS H H -4.809 -1.754 2.064 1.00 . A A . 6 CYS H 1 1 4 1223 1 1 6 CYS HA H -3.376 0.317 3.282 1.00 . A A . 6 CYS HA 1 1 4 1224 1 1 6 CYS HB2 H -2.685 -1.777 1.218 1.00 . A A . 6 CYS HB2 1 1 4 1225 1 1 6 CYS HB3 H -1.449 -0.711 1.885 1.00 . A A . 6 CYS HB3 1 1 4 1226 1 1 6 CYS N N -4.767 -0.778 2.109 1.00 . A A . 6 CYS N 1 1 4 1227 1 1 6 CYS O O -3.652 2.154 1.477 1.00 . A A . 6 CYS O 1 1 4 1228 1 1 6 CYS SG S -2.303 -2.215 3.546 1.00 . A A . 6 CYS SG 1 1 4 1229 1 1 7 ILE C C -3.915 2.589 -1.040 1.00 . A A . 7 ILE C 1 1 4 1230 1 1 7 ILE CA C -2.687 1.680 -0.992 1.00 . A A . 7 ILE CA 1 1 4 1231 1 1 7 ILE CB C -2.569 0.858 -2.269 1.00 . A A . 7 ILE CB 1 1 4 1232 1 1 7 ILE CD1 C -1.365 -1.273 -1.787 1.00 . A A . 7 ILE CD1 1 1 4 1233 1 1 7 ILE CG1 C -1.219 0.169 -2.277 1.00 . A A . 7 ILE CG1 1 1 4 1234 1 1 7 ILE CG2 C -2.692 1.763 -3.497 1.00 . A A . 7 ILE CG2 1 1 4 1235 1 1 7 ILE H H -2.584 -0.262 -0.096 1.00 . A A . 7 ILE H 1 1 4 1236 1 1 7 ILE HA H -1.792 2.256 -0.836 1.00 . A A . 7 ILE HA 1 1 4 1237 1 1 7 ILE HB H -3.342 0.116 -2.286 1.00 . A A . 7 ILE HB 1 1 4 1238 1 1 7 ILE HD11 H -2.393 -1.587 -1.893 1.00 . A A . 7 ILE HD11 1 1 4 1239 1 1 7 ILE HD12 H -1.076 -1.331 -0.748 1.00 . A A . 7 ILE HD12 1 1 4 1240 1 1 7 ILE HD13 H -0.729 -1.920 -2.374 1.00 . A A . 7 ILE HD13 1 1 4 1241 1 1 7 ILE HG12 H -0.825 0.169 -3.274 1.00 . A A . 7 ILE HG12 1 1 4 1242 1 1 7 ILE HG13 H -0.558 0.703 -1.623 1.00 . A A . 7 ILE HG13 1 1 4 1243 1 1 7 ILE HG21 H -3.073 2.728 -3.199 1.00 . A A . 7 ILE HG21 1 1 4 1244 1 1 7 ILE HG22 H -3.370 1.314 -4.207 1.00 . A A . 7 ILE HG22 1 1 4 1245 1 1 7 ILE HG23 H -1.721 1.884 -3.954 1.00 . A A . 7 ILE HG23 1 1 4 1246 1 1 7 ILE N N -2.841 0.667 0.078 1.00 . A A . 7 ILE N 1 1 4 1247 1 1 7 ILE O O -3.801 3.793 -1.132 1.00 . A A . 7 ILE O 1 1 4 1248 1 1 8 TYR C C -6.126 4.077 -0.106 1.00 . A A . 8 TYR C 1 1 4 1249 1 1 8 TYR CA C -6.313 2.863 -1.012 1.00 . A A . 8 TYR CA 1 1 4 1250 1 1 8 TYR CB C -7.435 1.972 -0.481 1.00 . A A . 8 TYR CB 1 1 4 1251 1 1 8 TYR CD1 C -9.300 3.415 -1.372 1.00 . A A . 8 TYR CD1 1 1 4 1252 1 1 8 TYR CD2 C -9.204 2.972 1.011 1.00 . A A . 8 TYR CD2 1 1 4 1253 1 1 8 TYR CE1 C -10.451 4.188 -1.182 1.00 . A A . 8 TYR CE1 1 1 4 1254 1 1 8 TYR CE2 C -10.355 3.745 1.201 1.00 . A A . 8 TYR CE2 1 1 4 1255 1 1 8 TYR CG C -8.676 2.806 -0.276 1.00 . A A . 8 TYR CG 1 1 4 1256 1 1 8 TYR CZ C -10.979 4.353 0.104 1.00 . A A . 8 TYR CZ 1 1 4 1257 1 1 8 TYR H H -5.160 1.047 -0.899 1.00 . A A . 8 TYR H 1 1 4 1258 1 1 8 TYR HA H -6.533 3.170 -2.018 1.00 . A A . 8 TYR HA 1 1 4 1259 1 1 8 TYR HB2 H -7.641 1.188 -1.195 1.00 . A A . 8 TYR HB2 1 1 4 1260 1 1 8 TYR HB3 H -7.136 1.535 0.458 1.00 . A A . 8 TYR HB3 1 1 4 1261 1 1 8 TYR HD1 H -8.892 3.287 -2.363 1.00 . A A . 8 TYR HD1 1 1 4 1262 1 1 8 TYR HD2 H -8.723 2.503 1.856 1.00 . A A . 8 TYR HD2 1 1 4 1263 1 1 8 TYR HE1 H -10.932 4.656 -2.027 1.00 . A A . 8 TYR HE1 1 1 4 1264 1 1 8 TYR HE2 H -10.763 3.872 2.192 1.00 . A A . 8 TYR HE2 1 1 4 1265 1 1 8 TYR HH H -12.753 4.868 -0.381 1.00 . A A . 8 TYR HH 1 1 4 1266 1 1 8 TYR N N -5.087 2.021 -0.976 1.00 . A A . 8 TYR N 1 1 4 1267 1 1 8 TYR O O -5.935 5.186 -0.564 1.00 . A A . 8 TYR O 1 1 4 1268 1 1 8 TYR OH O -12.114 5.115 0.291 1.00 . A A . 8 TYR OH 1 1 4 1269 1 1 9 ASN C C -4.588 5.590 2.019 1.00 . A A . 9 ASN C 1 1 4 1270 1 1 9 ASN CA C -6.002 5.007 2.120 1.00 . A A . 9 ASN CA 1 1 4 1271 1 1 9 ASN CB C -6.235 4.403 3.506 1.00 . A A . 9 ASN CB 1 1 4 1272 1 1 9 ASN CG C -7.421 5.101 4.175 1.00 . A A . 9 ASN CG 1 1 4 1273 1 1 9 ASN H H -6.334 2.975 1.520 1.00 . A A . 9 ASN H 1 1 4 1274 1 1 9 ASN HA H -6.736 5.761 1.925 1.00 . A A . 9 ASN HA 1 1 4 1275 1 1 9 ASN HB2 H -6.445 3.348 3.407 1.00 . A A . 9 ASN HB2 1 1 4 1276 1 1 9 ASN HB3 H -5.351 4.539 4.111 1.00 . A A . 9 ASN HB3 1 1 4 1277 1 1 9 ASN HD21 H -8.610 3.516 4.040 1.00 . A A . 9 ASN HD21 1 1 4 1278 1 1 9 ASN HD22 H -9.303 4.883 4.771 1.00 . A A . 9 ASN HD22 1 1 4 1279 1 1 9 ASN N N -6.177 3.874 1.177 1.00 . A A . 9 ASN N 1 1 4 1280 1 1 9 ASN ND2 N -8.537 4.445 4.343 1.00 . A A . 9 ASN ND2 1 1 4 1281 1 1 9 ASN O O -4.384 6.774 2.193 1.00 . A A . 9 ASN O 1 1 4 1282 1 1 9 ASN OD1 O -7.330 6.253 4.551 1.00 . A A . 9 ASN OD1 1 1 4 1283 1 1 10 CYS C C -2.045 6.181 0.439 1.00 . A A . 10 CYS C 1 1 4 1284 1 1 10 CYS CA C -2.216 5.273 1.655 1.00 . A A . 10 CYS CA 1 1 4 1285 1 1 10 CYS CB C -1.365 4.010 1.516 1.00 . A A . 10 CYS CB 1 1 4 1286 1 1 10 CYS H H -3.784 3.822 1.620 1.00 . A A . 10 CYS H 1 1 4 1287 1 1 10 CYS HA H -1.952 5.793 2.545 1.00 . A A . 10 CYS HA 1 1 4 1288 1 1 10 CYS HB2 H -1.888 3.178 1.963 1.00 . A A . 10 CYS HB2 1 1 4 1289 1 1 10 CYS HB3 H -1.198 3.806 0.473 1.00 . A A . 10 CYS HB3 1 1 4 1290 1 1 10 CYS N N -3.608 4.770 1.750 1.00 . A A . 10 CYS N 1 1 4 1291 1 1 10 CYS O O -1.644 7.322 0.549 1.00 . A A . 10 CYS O 1 1 4 1292 1 1 10 CYS SG S 0.221 4.244 2.361 1.00 . A A . 10 CYS SG 1 1 4 1293 1 1 11 MET C C -3.263 7.528 -2.092 1.00 . A A . 11 MET C 1 1 4 1294 1 1 11 MET CA C -2.164 6.468 -1.954 1.00 . A A . 11 MET CA 1 1 4 1295 1 1 11 MET CB C -2.257 5.431 -3.065 1.00 . A A . 11 MET CB 1 1 4 1296 1 1 11 MET CE C 0.584 5.971 -3.466 1.00 . A A . 11 MET CE 1 1 4 1297 1 1 11 MET CG C -1.352 4.238 -2.730 1.00 . A A . 11 MET CG 1 1 4 1298 1 1 11 MET H H -2.624 4.744 -0.775 1.00 . A A . 11 MET H 1 1 4 1299 1 1 11 MET HA H -1.197 6.925 -1.976 1.00 . A A . 11 MET HA 1 1 4 1300 1 1 11 MET HB2 H -3.279 5.094 -3.153 1.00 . A A . 11 MET HB2 1 1 4 1301 1 1 11 MET HB3 H -1.939 5.873 -3.994 1.00 . A A . 11 MET HB3 1 1 4 1302 1 1 11 MET HE1 H 1.607 6.309 -3.399 1.00 . A A . 11 MET HE1 1 1 4 1303 1 1 11 MET HE2 H -0.078 6.817 -3.400 1.00 . A A . 11 MET HE2 1 1 4 1304 1 1 11 MET HE3 H 0.425 5.465 -4.407 1.00 . A A . 11 MET HE3 1 1 4 1305 1 1 11 MET HG2 H -1.826 3.631 -1.978 1.00 . A A . 11 MET HG2 1 1 4 1306 1 1 11 MET HG3 H -1.194 3.649 -3.616 1.00 . A A . 11 MET HG3 1 1 4 1307 1 1 11 MET N N -2.325 5.669 -0.716 1.00 . A A . 11 MET N 1 1 4 1308 1 1 11 MET O O -3.013 8.711 -1.971 1.00 . A A . 11 MET O 1 1 4 1309 1 1 11 MET SD S 0.245 4.825 -2.110 1.00 . A A . 11 MET SD 1 1 4 1310 1 1 12 ASN C C -5.484 9.202 -1.457 1.00 . A A . 12 ASN C 1 1 4 1311 1 1 12 ASN CA C -5.577 8.109 -2.521 1.00 . A A . 12 ASN CA 1 1 4 1312 1 1 12 ASN CB C -6.866 7.308 -2.350 1.00 . A A . 12 ASN CB 1 1 4 1313 1 1 12 ASN CG C -6.928 6.206 -3.407 1.00 . A A . 12 ASN CG 1 1 4 1314 1 1 12 ASN H H -4.649 6.163 -2.464 1.00 . A A . 12 ASN H 1 1 4 1315 1 1 12 ASN HA H -5.546 8.545 -3.504 1.00 . A A . 12 ASN HA 1 1 4 1316 1 1 12 ASN HB2 H -6.888 6.867 -1.365 1.00 . A A . 12 ASN HB2 1 1 4 1317 1 1 12 ASN HB3 H -7.713 7.963 -2.469 1.00 . A A . 12 ASN HB3 1 1 4 1318 1 1 12 ASN HD21 H -5.963 4.894 -2.280 1.00 . A A . 12 ASN HD21 1 1 4 1319 1 1 12 ASN HD22 H -6.426 4.332 -3.812 1.00 . A A . 12 ASN HD22 1 1 4 1320 1 1 12 ASN N N -4.471 7.119 -2.360 1.00 . A A . 12 ASN N 1 1 4 1321 1 1 12 ASN ND2 N -6.395 5.047 -3.145 1.00 . A A . 12 ASN ND2 1 1 4 1322 1 1 12 ASN O O -5.569 10.378 -1.753 1.00 . A A . 12 ASN O 1 1 4 1323 1 1 12 ASN OD1 O -7.464 6.402 -4.478 1.00 . A A . 12 ASN OD1 1 1 4 1324 1 1 13 SER C C -5.277 9.185 2.237 1.00 . A A . 13 SER C 1 1 4 1325 1 1 13 SER CA C -5.213 9.848 0.858 1.00 . A A . 13 SER CA 1 1 4 1326 1 1 13 SER CB C -6.415 10.771 0.655 1.00 . A A . 13 SER CB 1 1 4 1327 1 1 13 SER H H -5.242 7.878 -0.005 1.00 . A A . 13 SER H 1 1 4 1328 1 1 13 SER HA H -4.300 10.406 0.756 1.00 . A A . 13 SER HA 1 1 4 1329 1 1 13 SER HB2 H -7.064 10.360 -0.100 1.00 . A A . 13 SER HB2 1 1 4 1330 1 1 13 SER HB3 H -6.961 10.859 1.585 1.00 . A A . 13 SER HB3 1 1 4 1331 1 1 13 SER HG H -6.622 12.425 -0.348 1.00 . A A . 13 SER HG 1 1 4 1332 1 1 13 SER N N -5.311 8.827 -0.222 1.00 . A A . 13 SER N 1 1 4 1333 1 1 13 SER O O -6.322 8.761 2.687 1.00 . A A . 13 SER O 1 1 4 1334 1 1 13 SER OG O -5.959 12.051 0.236 1.00 . A A . 13 SER OG 1 1 4 1335 1 1 14 GLY C C -2.883 8.917 4.999 1.00 . A A . 14 GLY C 1 1 4 1336 1 1 14 GLY CA C -4.147 8.484 4.258 1.00 . A A . 14 GLY CA 1 1 4 1337 1 1 14 GLY H H -3.343 9.454 2.536 1.00 . A A . 14 GLY H 1 1 4 1338 1 1 14 GLY HA2 H -5.012 8.813 4.802 1.00 . A A . 14 GLY HA2 1 1 4 1339 1 1 14 GLY HA3 H -4.157 7.410 4.165 1.00 . A A . 14 GLY HA3 1 1 4 1340 1 1 14 GLY N N -4.164 9.103 2.911 1.00 . A A . 14 GLY N 1 1 4 1341 1 1 14 GLY O O -2.918 9.253 6.167 1.00 . A A . 14 GLY O 1 1 4 1342 1 1 15 GLY C C 0.288 10.267 4.066 1.00 . A A . 15 GLY C 1 1 4 1343 1 1 15 GLY CA C -0.496 9.329 4.990 1.00 . A A . 15 GLY CA 1 1 4 1344 1 1 15 GLY H H -1.764 8.642 3.388 1.00 . A A . 15 GLY H 1 1 4 1345 1 1 15 GLY HA2 H -0.724 9.843 5.915 1.00 . A A . 15 GLY HA2 1 1 4 1346 1 1 15 GLY HA3 H 0.102 8.454 5.200 1.00 . A A . 15 GLY HA3 1 1 4 1347 1 1 15 GLY N N -1.766 8.915 4.328 1.00 . A A . 15 GLY N 1 1 4 1348 1 1 15 GLY O O 1.375 10.700 4.389 1.00 . A A . 15 GLY O 1 1 4 1349 1 1 16 GLY C C 1.941 11.134 1.932 1.00 . A A . 16 GLY C 1 1 4 1350 1 1 16 GLY CA C 0.455 11.494 1.978 1.00 . A A . 16 GLY CA 1 1 4 1351 1 1 16 GLY H H -1.135 10.229 2.679 1.00 . A A . 16 GLY H 1 1 4 1352 1 1 16 GLY HA2 H 0.028 11.391 0.988 1.00 . A A . 16 GLY HA2 1 1 4 1353 1 1 16 GLY HA3 H 0.345 12.514 2.314 1.00 . A A . 16 GLY HA3 1 1 4 1354 1 1 16 GLY N N -0.257 10.585 2.920 1.00 . A A . 16 GLY N 1 1 4 1355 1 1 16 GLY O O 2.763 11.773 2.558 1.00 . A A . 16 GLY O 1 1 4 1356 1 1 17 LEU C C 4.075 9.267 -0.310 1.00 . A A . 17 LEU C 1 1 4 1357 1 1 17 LEU CA C 3.725 9.713 1.118 1.00 . A A . 17 LEU CA 1 1 4 1358 1 1 17 LEU CB C 3.870 8.575 2.121 1.00 . A A . 17 LEU CB 1 1 4 1359 1 1 17 LEU CD1 C 3.261 6.195 1.881 1.00 . A A . 17 LEU CD1 1 1 4 1360 1 1 17 LEU CD2 C 1.777 7.720 3.179 1.00 . A A . 17 LEU CD2 1 1 4 1361 1 1 17 LEU CG C 2.705 7.607 1.967 1.00 . A A . 17 LEU CG 1 1 4 1362 1 1 17 LEU H H 1.618 9.607 0.702 1.00 . A A . 17 LEU H 1 1 4 1363 1 1 17 LEU HA H 4.356 10.524 1.413 1.00 . A A . 17 LEU HA 1 1 4 1364 1 1 17 LEU HB2 H 4.799 8.053 1.941 1.00 . A A . 17 LEU HB2 1 1 4 1365 1 1 17 LEU HB3 H 3.871 8.976 3.123 1.00 . A A . 17 LEU HB3 1 1 4 1366 1 1 17 LEU HD11 H 3.273 5.880 0.849 1.00 . A A . 17 LEU HD11 1 1 4 1367 1 1 17 LEU HD12 H 2.642 5.531 2.459 1.00 . A A . 17 LEU HD12 1 1 4 1368 1 1 17 LEU HD13 H 4.268 6.188 2.271 1.00 . A A . 17 LEU HD13 1 1 4 1369 1 1 17 LEU HD21 H 1.443 6.735 3.470 1.00 . A A . 17 LEU HD21 1 1 4 1370 1 1 17 LEU HD22 H 0.923 8.328 2.921 1.00 . A A . 17 LEU HD22 1 1 4 1371 1 1 17 LEU HD23 H 2.311 8.177 3.998 1.00 . A A . 17 LEU HD23 1 1 4 1372 1 1 17 LEU HG H 2.158 7.837 1.063 1.00 . A A . 17 LEU HG 1 1 4 1373 1 1 17 LEU N N 2.294 10.114 1.198 1.00 . A A . 17 LEU N 1 1 4 1374 1 1 17 LEU O O 4.092 10.065 -1.225 1.00 . A A . 17 LEU O 1 1 4 1375 1 1 18 SER C C 3.819 6.350 -2.278 1.00 . A A . 18 SER C 1 1 4 1376 1 1 18 SER CA C 4.701 7.535 -1.885 1.00 . A A . 18 SER CA 1 1 4 1377 1 1 18 SER CB C 6.163 7.104 -1.800 1.00 . A A . 18 SER CB 1 1 4 1378 1 1 18 SER H H 4.339 7.376 0.227 1.00 . A A . 18 SER H 1 1 4 1379 1 1 18 SER HA H 4.595 8.333 -2.601 1.00 . A A . 18 SER HA 1 1 4 1380 1 1 18 SER HB2 H 6.454 7.013 -0.768 1.00 . A A . 18 SER HB2 1 1 4 1381 1 1 18 SER HB3 H 6.285 6.148 -2.292 1.00 . A A . 18 SER HB3 1 1 4 1382 1 1 18 SER HG H 7.257 7.734 -3.281 1.00 . A A . 18 SER HG 1 1 4 1383 1 1 18 SER N N 4.354 8.008 -0.515 1.00 . A A . 18 SER N 1 1 4 1384 1 1 18 SER O O 2.810 6.077 -1.658 1.00 . A A . 18 SER O 1 1 4 1385 1 1 18 SER OG O 6.980 8.083 -2.431 1.00 . A A . 18 SER OG 1 1 4 1386 1 1 19 PHE C C 4.052 3.181 -3.314 1.00 . A A . 19 PHE C 1 1 4 1387 1 1 19 PHE CA C 3.384 4.478 -3.753 1.00 . A A . 19 PHE CA 1 1 4 1388 1 1 19 PHE CB C 3.356 4.578 -5.277 1.00 . A A . 19 PHE CB 1 1 4 1389 1 1 19 PHE CD1 C 1.491 2.879 -5.030 1.00 . A A . 19 PHE CD1 1 1 4 1390 1 1 19 PHE CD2 C 2.438 3.272 -7.228 1.00 . A A . 19 PHE CD2 1 1 4 1391 1 1 19 PHE CE1 C 0.616 1.932 -5.578 1.00 . A A . 19 PHE CE1 1 1 4 1392 1 1 19 PHE CE2 C 1.564 2.326 -7.774 1.00 . A A . 19 PHE CE2 1 1 4 1393 1 1 19 PHE CG C 2.404 3.551 -5.856 1.00 . A A . 19 PHE CG 1 1 4 1394 1 1 19 PHE CZ C 0.653 1.656 -6.950 1.00 . A A . 19 PHE CZ 1 1 4 1395 1 1 19 PHE H H 5.010 5.893 -3.790 1.00 . A A . 19 PHE H 1 1 4 1396 1 1 19 PHE HA H 2.390 4.538 -3.360 1.00 . A A . 19 PHE HA 1 1 4 1397 1 1 19 PHE HB2 H 3.034 5.567 -5.564 1.00 . A A . 19 PHE HB2 1 1 4 1398 1 1 19 PHE HB3 H 4.349 4.400 -5.663 1.00 . A A . 19 PHE HB3 1 1 4 1399 1 1 19 PHE HD1 H 1.461 3.089 -3.973 1.00 . A A . 19 PHE HD1 1 1 4 1400 1 1 19 PHE HD2 H 3.142 3.789 -7.866 1.00 . A A . 19 PHE HD2 1 1 4 1401 1 1 19 PHE HE1 H -0.086 1.415 -4.942 1.00 . A A . 19 PHE HE1 1 1 4 1402 1 1 19 PHE HE2 H 1.592 2.113 -8.833 1.00 . A A . 19 PHE HE2 1 1 4 1403 1 1 19 PHE HZ H -0.021 0.926 -7.372 1.00 . A A . 19 PHE HZ 1 1 4 1404 1 1 19 PHE N N 4.193 5.649 -3.308 1.00 . A A . 19 PHE N 1 1 4 1405 1 1 19 PHE O O 3.453 2.348 -2.663 1.00 . A A . 19 PHE O 1 1 4 1406 1 1 20 ILE C C 5.899 1.611 -1.736 1.00 . A A . 20 ILE C 1 1 4 1407 1 1 20 ILE CA C 6.001 1.758 -3.251 1.00 . A A . 20 ILE CA 1 1 4 1408 1 1 20 ILE CB C 7.473 1.919 -3.656 1.00 . A A . 20 ILE CB 1 1 4 1409 1 1 20 ILE CD1 C 7.985 4.151 -4.624 1.00 . A A . 20 ILE CD1 1 1 4 1410 1 1 20 ILE CG1 C 7.593 2.711 -4.958 1.00 . A A . 20 ILE CG1 1 1 4 1411 1 1 20 ILE CG2 C 8.096 0.536 -3.853 1.00 . A A . 20 ILE CG2 1 1 4 1412 1 1 20 ILE H H 5.744 3.702 -4.177 1.00 . A A . 20 ILE H 1 1 4 1413 1 1 20 ILE HA H 5.570 0.901 -3.743 1.00 . A A . 20 ILE HA 1 1 4 1414 1 1 20 ILE HB H 8.004 2.436 -2.868 1.00 . A A . 20 ILE HB 1 1 4 1415 1 1 20 ILE HD11 H 8.968 4.358 -5.018 1.00 . A A . 20 ILE HD11 1 1 4 1416 1 1 20 ILE HD12 H 7.993 4.281 -3.551 1.00 . A A . 20 ILE HD12 1 1 4 1417 1 1 20 ILE HD13 H 7.269 4.830 -5.062 1.00 . A A . 20 ILE HD13 1 1 4 1418 1 1 20 ILE HG12 H 8.350 2.263 -5.586 1.00 . A A . 20 ILE HG12 1 1 4 1419 1 1 20 ILE HG13 H 6.644 2.707 -5.474 1.00 . A A . 20 ILE HG13 1 1 4 1420 1 1 20 ILE HG21 H 8.277 0.369 -4.905 1.00 . A A . 20 ILE HG21 1 1 4 1421 1 1 20 ILE HG22 H 7.420 -0.220 -3.480 1.00 . A A . 20 ILE HG22 1 1 4 1422 1 1 20 ILE HG23 H 9.030 0.481 -3.314 1.00 . A A . 20 ILE HG23 1 1 4 1423 1 1 20 ILE N N 5.291 3.009 -3.660 1.00 . A A . 20 ILE N 1 1 4 1424 1 1 20 ILE O O 5.996 0.529 -1.193 1.00 . A A . 20 ILE O 1 1 4 1425 1 1 21 GLN C C 4.315 1.920 0.837 1.00 . A A . 21 GLN C 1 1 4 1426 1 1 21 GLN CA C 5.600 2.645 0.431 1.00 . A A . 21 GLN CA 1 1 4 1427 1 1 21 GLN CB C 5.566 4.104 0.884 1.00 . A A . 21 GLN CB 1 1 4 1428 1 1 21 GLN CD C 7.165 5.957 1.386 1.00 . A A . 21 GLN CD 1 1 4 1429 1 1 21 GLN CG C 6.852 4.799 0.438 1.00 . A A . 21 GLN CG 1 1 4 1430 1 1 21 GLN H H 5.634 3.565 -1.511 1.00 . A A . 21 GLN H 1 1 4 1431 1 1 21 GLN HA H 6.463 2.151 0.845 1.00 . A A . 21 GLN HA 1 1 4 1432 1 1 21 GLN HB2 H 4.714 4.599 0.443 1.00 . A A . 21 GLN HB2 1 1 4 1433 1 1 21 GLN HB3 H 5.491 4.146 1.961 1.00 . A A . 21 GLN HB3 1 1 4 1434 1 1 21 GLN HE21 H 8.689 5.020 2.248 1.00 . A A . 21 GLN HE21 1 1 4 1435 1 1 21 GLN HE22 H 8.367 6.578 2.839 1.00 . A A . 21 GLN HE22 1 1 4 1436 1 1 21 GLN HG2 H 7.667 4.090 0.455 1.00 . A A . 21 GLN HG2 1 1 4 1437 1 1 21 GLN HG3 H 6.727 5.179 -0.564 1.00 . A A . 21 GLN HG3 1 1 4 1438 1 1 21 GLN N N 5.707 2.704 -1.049 1.00 . A A . 21 GLN N 1 1 4 1439 1 1 21 GLN NE2 N 8.156 5.842 2.228 1.00 . A A . 21 GLN NE2 1 1 4 1440 1 1 21 GLN O O 4.184 1.442 1.947 1.00 . A A . 21 GLN O 1 1 4 1441 1 1 21 GLN OE1 O 6.504 6.974 1.361 1.00 . A A . 21 GLN OE1 1 1 4 1442 1 1 22 CYS C C 1.810 0.071 -0.786 1.00 . A A . 22 CYS C 1 1 4 1443 1 1 22 CYS CA C 2.095 1.143 0.270 1.00 . A A . 22 CYS CA 1 1 4 1444 1 1 22 CYS CB C 1.025 2.235 0.215 1.00 . A A . 22 CYS CB 1 1 4 1445 1 1 22 CYS H H 3.481 2.228 -0.935 1.00 . A A . 22 CYS H 1 1 4 1446 1 1 22 CYS HA H 2.140 0.705 1.253 1.00 . A A . 22 CYS HA 1 1 4 1447 1 1 22 CYS HB2 H 0.775 2.437 -0.818 1.00 . A A . 22 CYS HB2 1 1 4 1448 1 1 22 CYS HB3 H 0.152 1.893 0.732 1.00 . A A . 22 CYS HB3 1 1 4 1449 1 1 22 CYS N N 3.365 1.834 -0.054 1.00 . A A . 22 CYS N 1 1 4 1450 1 1 22 CYS O O 1.286 -0.985 -0.492 1.00 . A A . 22 CYS O 1 1 4 1451 1 1 22 CYS SG S 1.628 3.760 0.990 1.00 . A A . 22 CYS SG 1 1 4 1452 1 1 23 LYS C C 2.296 -2.054 -2.666 1.00 . A A . 23 LYS C 1 1 4 1453 1 1 23 LYS CA C 1.894 -0.646 -3.105 1.00 . A A . 23 LYS CA 1 1 4 1454 1 1 23 LYS CB C 2.769 -0.182 -4.271 1.00 . A A . 23 LYS CB 1 1 4 1455 1 1 23 LYS CD C 1.052 -1.311 -5.697 1.00 . A A . 23 LYS CD 1 1 4 1456 1 1 23 LYS CE C 0.778 -1.486 -7.191 1.00 . A A . 23 LYS CE 1 1 4 1457 1 1 23 LYS CG C 2.552 -1.104 -5.472 1.00 . A A . 23 LYS CG 1 1 4 1458 1 1 23 LYS H H 2.564 1.206 -2.230 1.00 . A A . 23 LYS H 1 1 4 1459 1 1 23 LYS HA H 0.860 -0.626 -3.394 1.00 . A A . 23 LYS HA 1 1 4 1460 1 1 23 LYS HB2 H 2.501 0.829 -4.540 1.00 . A A . 23 LYS HB2 1 1 4 1461 1 1 23 LYS HB3 H 3.807 -0.214 -3.978 1.00 . A A . 23 LYS HB3 1 1 4 1462 1 1 23 LYS HD2 H 0.727 -2.193 -5.164 1.00 . A A . 23 LYS HD2 1 1 4 1463 1 1 23 LYS HD3 H 0.512 -0.450 -5.332 1.00 . A A . 23 LYS HD3 1 1 4 1464 1 1 23 LYS HE2 H -0.274 -1.669 -7.360 1.00 . A A . 23 LYS HE2 1 1 4 1465 1 1 23 LYS HE3 H 1.102 -0.614 -7.738 1.00 . A A . 23 LYS HE3 1 1 4 1466 1 1 23 LYS HG2 H 2.989 -0.656 -6.353 1.00 . A A . 23 LYS HG2 1 1 4 1467 1 1 23 LYS HG3 H 3.020 -2.059 -5.284 1.00 . A A . 23 LYS HG3 1 1 4 1468 1 1 23 LYS HZ1 H 1.360 -3.472 -6.974 1.00 . A A . 23 LYS HZ1 1 1 4 1469 1 1 23 LYS HZ2 H 2.599 -2.443 -7.512 1.00 . A A . 23 LYS HZ2 1 1 4 1470 1 1 23 LYS HZ3 H 1.366 -2.923 -8.578 1.00 . A A . 23 LYS HZ3 1 1 4 1471 1 1 23 LYS N N 2.147 0.343 -2.017 1.00 . A A . 23 LYS N 1 1 4 1472 1 1 23 LYS NZ N 1.587 -2.670 -7.594 1.00 . A A . 23 LYS NZ 1 1 4 1473 1 1 23 LYS O O 1.545 -2.998 -2.815 1.00 . A A . 23 LYS O 1 1 4 1474 1 1 24 THR C C 4.407 -3.542 -0.253 1.00 . A A . 24 THR C 1 1 4 1475 1 1 24 THR CA C 3.924 -3.563 -1.706 1.00 . A A . 24 THR CA 1 1 4 1476 1 1 24 THR CB C 5.078 -3.913 -2.646 1.00 . A A . 24 THR CB 1 1 4 1477 1 1 24 THR CG2 C 5.560 -5.336 -2.359 1.00 . A A . 24 THR CG2 1 1 4 1478 1 1 24 THR H H 4.068 -1.436 -2.035 1.00 . A A . 24 THR H 1 1 4 1479 1 1 24 THR HA H 3.126 -4.277 -1.825 1.00 . A A . 24 THR HA 1 1 4 1480 1 1 24 THR HB H 5.893 -3.223 -2.490 1.00 . A A . 24 THR HB 1 1 4 1481 1 1 24 THR HG1 H 4.881 -2.961 -4.330 1.00 . A A . 24 THR HG1 1 1 4 1482 1 1 24 THR HG21 H 6.570 -5.304 -1.975 1.00 . A A . 24 THR HG21 1 1 4 1483 1 1 24 THR HG22 H 5.540 -5.914 -3.271 1.00 . A A . 24 THR HG22 1 1 4 1484 1 1 24 THR HG23 H 4.912 -5.795 -1.626 1.00 . A A . 24 THR HG23 1 1 4 1485 1 1 24 THR N N 3.475 -2.207 -2.138 1.00 . A A . 24 THR N 1 1 4 1486 1 1 24 THR O O 4.567 -4.574 0.368 1.00 . A A . 24 THR O 1 1 4 1487 1 1 24 THR OG1 O 4.633 -3.825 -3.993 1.00 . A A . 24 THR OG1 1 1 4 1488 1 1 25 MET C C 4.010 -2.792 2.646 1.00 . A A . 25 MET C 1 1 4 1489 1 1 25 MET CA C 5.115 -2.319 1.702 1.00 . A A . 25 MET CA 1 1 4 1490 1 1 25 MET CB C 5.443 -0.849 1.936 1.00 . A A . 25 MET CB 1 1 4 1491 1 1 25 MET CE C 6.362 1.272 3.788 1.00 . A A . 25 MET CE 1 1 4 1492 1 1 25 MET CG C 6.960 -0.669 1.986 1.00 . A A . 25 MET CG 1 1 4 1493 1 1 25 MET H H 4.514 -1.559 -0.208 1.00 . A A . 25 MET H 1 1 4 1494 1 1 25 MET HA H 5.997 -2.916 1.820 1.00 . A A . 25 MET HA 1 1 4 1495 1 1 25 MET HB2 H 5.039 -0.264 1.125 1.00 . A A . 25 MET HB2 1 1 4 1496 1 1 25 MET HB3 H 5.011 -0.525 2.869 1.00 . A A . 25 MET HB3 1 1 4 1497 1 1 25 MET HE1 H 5.458 0.988 4.308 1.00 . A A . 25 MET HE1 1 1 4 1498 1 1 25 MET HE2 H 6.110 1.627 2.802 1.00 . A A . 25 MET HE2 1 1 4 1499 1 1 25 MET HE3 H 6.867 2.057 4.333 1.00 . A A . 25 MET HE3 1 1 4 1500 1 1 25 MET HG2 H 7.441 -1.603 1.734 1.00 . A A . 25 MET HG2 1 1 4 1501 1 1 25 MET HG3 H 7.254 0.089 1.276 1.00 . A A . 25 MET HG3 1 1 4 1502 1 1 25 MET N N 4.643 -2.383 0.298 1.00 . A A . 25 MET N 1 1 4 1503 1 1 25 MET O O 4.269 -3.357 3.690 1.00 . A A . 25 MET O 1 1 4 1504 1 1 25 MET SD S 7.454 -0.164 3.652 1.00 . A A . 25 MET SD 1 1 4 1505 1 1 26 CYS C C 1.811 -4.493 3.500 1.00 . A A . 26 CYS C 1 1 4 1506 1 1 26 CYS CA C 1.651 -3.010 3.149 1.00 . A A . 26 CYS CA 1 1 4 1507 1 1 26 CYS CB C 0.395 -2.786 2.304 1.00 . A A . 26 CYS CB 1 1 4 1508 1 1 26 CYS H H 2.596 -2.116 1.431 1.00 . A A . 26 CYS H 1 1 4 1509 1 1 26 CYS HA H 1.607 -2.412 4.045 1.00 . A A . 26 CYS HA 1 1 4 1510 1 1 26 CYS HB2 H 0.171 -1.730 2.268 1.00 . A A . 26 CYS HB2 1 1 4 1511 1 1 26 CYS HB3 H 0.567 -3.151 1.302 1.00 . A A . 26 CYS HB3 1 1 4 1512 1 1 26 CYS N N 2.779 -2.570 2.281 1.00 . A A . 26 CYS N 1 1 4 1513 1 1 26 CYS O O 2.482 -5.235 2.811 1.00 . A A . 26 CYS O 1 1 4 1514 1 1 26 CYS SG S -1.002 -3.674 3.037 1.00 . A A . 26 CYS SG 1 1 4 1515 1 1 27 TYR C C 0.165 -7.172 4.339 1.00 . A A . 27 TYR C 1 1 4 1516 1 1 27 TYR CA C 1.312 -6.365 4.954 1.00 . A A . 27 TYR CA 1 1 4 1517 1 1 27 TYR CB C 1.212 -6.371 6.481 1.00 . A A . 27 TYR CB 1 1 4 1518 1 1 27 TYR CD1 C 0.366 -8.569 7.379 1.00 . A A . 27 TYR CD1 1 1 4 1519 1 1 27 TYR CD2 C 2.756 -8.271 7.082 1.00 . A A . 27 TYR CD2 1 1 4 1520 1 1 27 TYR CE1 C 0.588 -9.867 7.854 1.00 . A A . 27 TYR CE1 1 1 4 1521 1 1 27 TYR CE2 C 2.976 -9.570 7.558 1.00 . A A . 27 TYR CE2 1 1 4 1522 1 1 27 TYR CG C 1.451 -7.771 6.993 1.00 . A A . 27 TYR CG 1 1 4 1523 1 1 27 TYR CZ C 1.893 -10.368 7.943 1.00 . A A . 27 TYR CZ 1 1 4 1524 1 1 27 TYR H H 0.658 -4.316 5.107 1.00 . A A . 27 TYR H 1 1 4 1525 1 1 27 TYR HA H 2.265 -6.765 4.645 1.00 . A A . 27 TYR HA 1 1 4 1526 1 1 27 TYR HB2 H 1.958 -5.704 6.892 1.00 . A A . 27 TYR HB2 1 1 4 1527 1 1 27 TYR HB3 H 0.227 -6.042 6.779 1.00 . A A . 27 TYR HB3 1 1 4 1528 1 1 27 TYR HD1 H -0.639 -8.184 7.310 1.00 . A A . 27 TYR HD1 1 1 4 1529 1 1 27 TYR HD2 H 3.592 -7.655 6.785 1.00 . A A . 27 TYR HD2 1 1 4 1530 1 1 27 TYR HE1 H -0.248 -10.483 8.151 1.00 . A A . 27 TYR HE1 1 1 4 1531 1 1 27 TYR HE2 H 3.982 -9.955 7.627 1.00 . A A . 27 TYR HE2 1 1 4 1532 1 1 27 TYR HH H 1.296 -11.959 8.812 1.00 . A A . 27 TYR HH 1 1 4 1533 1 1 27 TYR N N 1.196 -4.930 4.565 1.00 . A A . 27 TYR N 1 1 4 1534 1 1 27 TYR O O 0.427 -8.261 3.856 1.00 . A A . 27 TYR O 1 1 4 1535 1 1 27 TYR OXT O -0.953 -6.685 4.361 1.00 . A A . 27 TYR OXT 1 1 4 1536 1 1 27 TYR OH O 2.111 -11.647 8.410 1.00 . A A . 27 TYR OH 1 1 5 1537 1 1 1 GLY C C -4.790 -8.495 1.404 1.00 . A A . 1 GLY C 1 1 5 1538 1 1 1 GLY CA C -5.280 -9.430 0.298 1.00 . A A . 1 GLY CA 1 1 5 1539 1 1 1 GLY H1 H -4.369 -10.757 -1.024 1.00 . A A . 1 GLY H1 1 1 5 1540 1 1 1 GLY H2 H -4.165 -11.160 0.614 1.00 . A A . 1 GLY H2 1 1 5 1541 1 1 1 GLY H3 H -3.280 -9.879 -0.065 1.00 . A A . 1 GLY H3 1 1 5 1542 1 1 1 GLY HA2 H -5.560 -8.850 -0.570 1.00 . A A . 1 GLY HA2 1 1 5 1543 1 1 1 GLY HA3 H -6.135 -9.985 0.653 1.00 . A A . 1 GLY HA3 1 1 5 1544 1 1 1 GLY N N -4.191 -10.378 -0.072 1.00 . A A . 1 GLY N 1 1 5 1545 1 1 1 GLY O O -5.381 -8.406 2.462 1.00 . A A . 1 GLY O 1 1 5 1546 1 1 2 GLY C C -3.172 -5.438 1.657 1.00 . A A . 2 GLY C 1 1 5 1547 1 1 2 GLY CA C -3.188 -6.864 2.209 1.00 . A A . 2 GLY CA 1 1 5 1548 1 1 2 GLY H H -3.252 -7.879 0.309 1.00 . A A . 2 GLY H 1 1 5 1549 1 1 2 GLY HA2 H -3.824 -6.907 3.083 1.00 . A A . 2 GLY HA2 1 1 5 1550 1 1 2 GLY HA3 H -2.185 -7.154 2.478 1.00 . A A . 2 GLY HA3 1 1 5 1551 1 1 2 GLY N N -3.714 -7.794 1.170 1.00 . A A . 2 GLY N 1 1 5 1552 1 1 2 GLY O O -2.973 -4.484 2.381 1.00 . A A . 2 GLY O 1 1 5 1553 1 1 3 LEU C C -4.815 -3.460 -0.481 1.00 . A A . 3 LEU C 1 1 5 1554 1 1 3 LEU CA C -3.379 -3.922 -0.222 1.00 . A A . 3 LEU CA 1 1 5 1555 1 1 3 LEU CB C -2.614 -4.066 -1.541 1.00 . A A . 3 LEU CB 1 1 5 1556 1 1 3 LEU CD1 C -0.601 -3.951 -0.045 1.00 . A A . 3 LEU CD1 1 1 5 1557 1 1 3 LEU CD2 C -1.298 -6.135 -1.040 1.00 . A A . 3 LEU CD2 1 1 5 1558 1 1 3 LEU CG C -1.210 -4.626 -1.277 1.00 . A A . 3 LEU CG 1 1 5 1559 1 1 3 LEU H H -3.542 -6.070 -0.188 1.00 . A A . 3 LEU H 1 1 5 1560 1 1 3 LEU HA H -2.870 -3.227 0.426 1.00 . A A . 3 LEU HA 1 1 5 1561 1 1 3 LEU HB2 H -3.151 -4.739 -2.193 1.00 . A A . 3 LEU HB2 1 1 5 1562 1 1 3 LEU HB3 H -2.530 -3.099 -2.013 1.00 . A A . 3 LEU HB3 1 1 5 1563 1 1 3 LEU HD11 H -1.044 -2.976 0.088 1.00 . A A . 3 LEU HD11 1 1 5 1564 1 1 3 LEU HD12 H 0.465 -3.846 -0.183 1.00 . A A . 3 LEU HD12 1 1 5 1565 1 1 3 LEU HD13 H -0.792 -4.557 0.828 1.00 . A A . 3 LEU HD13 1 1 5 1566 1 1 3 LEU HD21 H -0.422 -6.616 -1.450 1.00 . A A . 3 LEU HD21 1 1 5 1567 1 1 3 LEU HD22 H -2.182 -6.525 -1.524 1.00 . A A . 3 LEU HD22 1 1 5 1568 1 1 3 LEU HD23 H -1.354 -6.331 0.021 1.00 . A A . 3 LEU HD23 1 1 5 1569 1 1 3 LEU HG H -0.583 -4.433 -2.136 1.00 . A A . 3 LEU HG 1 1 5 1570 1 1 3 LEU N N -3.382 -5.287 0.378 1.00 . A A . 3 LEU N 1 1 5 1571 1 1 3 LEU O O -5.067 -2.302 -0.754 1.00 . A A . 3 LEU O 1 1 5 1572 1 1 4 GLY C C -7.533 -2.735 0.163 1.00 . A A . 4 GLY C 1 1 5 1573 1 1 4 GLY CA C -7.174 -3.983 -0.648 1.00 . A A . 4 GLY CA 1 1 5 1574 1 1 4 GLY H H -5.530 -5.285 -0.186 1.00 . A A . 4 GLY H 1 1 5 1575 1 1 4 GLY HA2 H -7.308 -3.782 -1.699 1.00 . A A . 4 GLY HA2 1 1 5 1576 1 1 4 GLY HA3 H -7.817 -4.799 -0.350 1.00 . A A . 4 GLY HA3 1 1 5 1577 1 1 4 GLY N N -5.757 -4.359 -0.402 1.00 . A A . 4 GLY N 1 1 5 1578 1 1 4 GLY O O -8.405 -1.976 -0.209 1.00 . A A . 4 GLY O 1 1 5 1579 1 1 5 ARG C C -5.958 -0.447 2.295 1.00 . A A . 5 ARG C 1 1 5 1580 1 1 5 ARG CA C -7.197 -1.317 2.096 1.00 . A A . 5 ARG CA 1 1 5 1581 1 1 5 ARG CB C -7.685 -1.871 3.435 1.00 . A A . 5 ARG CB 1 1 5 1582 1 1 5 ARG CD C -9.835 -0.607 3.254 1.00 . A A . 5 ARG CD 1 1 5 1583 1 1 5 ARG CG C -8.590 -0.841 4.114 1.00 . A A . 5 ARG CG 1 1 5 1584 1 1 5 ARG CZ C -10.064 1.435 1.973 1.00 . A A . 5 ARG CZ 1 1 5 1585 1 1 5 ARG H H -6.179 -3.142 1.559 1.00 . A A . 5 ARG H 1 1 5 1586 1 1 5 ARG HA H -7.977 -0.741 1.632 1.00 . A A . 5 ARG HA 1 1 5 1587 1 1 5 ARG HB2 H -8.239 -2.783 3.266 1.00 . A A . 5 ARG HB2 1 1 5 1588 1 1 5 ARG HB3 H -6.838 -2.076 4.070 1.00 . A A . 5 ARG HB3 1 1 5 1589 1 1 5 ARG HD2 H -9.704 -1.050 2.275 1.00 . A A . 5 ARG HD2 1 1 5 1590 1 1 5 ARG HD3 H -10.709 -1.011 3.738 1.00 . A A . 5 ARG HD3 1 1 5 1591 1 1 5 ARG HE H -9.943 1.427 3.955 1.00 . A A . 5 ARG HE 1 1 5 1592 1 1 5 ARG HG2 H -8.887 -1.209 5.085 1.00 . A A . 5 ARG HG2 1 1 5 1593 1 1 5 ARG HG3 H -8.054 0.088 4.228 1.00 . A A . 5 ARG HG3 1 1 5 1594 1 1 5 ARG HH11 H -8.815 2.940 2.403 1.00 . A A . 5 ARG HH11 1 1 5 1595 1 1 5 ARG HH12 H -9.491 2.961 0.809 1.00 . A A . 5 ARG HH12 1 1 5 1596 1 1 5 ARG HH21 H -11.338 0.062 1.269 1.00 . A A . 5 ARG HH21 1 1 5 1597 1 1 5 ARG HH22 H -10.920 1.331 0.166 1.00 . A A . 5 ARG HH22 1 1 5 1598 1 1 5 ARG N N -6.875 -2.517 1.270 1.00 . A A . 5 ARG N 1 1 5 1599 1 1 5 ARG NE N -9.951 0.874 3.145 1.00 . A A . 5 ARG NE 1 1 5 1600 1 1 5 ARG NH1 N -9.404 2.530 1.708 1.00 . A A . 5 ARG NH1 1 1 5 1601 1 1 5 ARG NH2 N -10.834 0.901 1.065 1.00 . A A . 5 ARG NH2 1 1 5 1602 1 1 5 ARG O O -6.030 0.762 2.215 1.00 . A A . 5 ARG O 1 1 5 1603 1 1 6 CYS C C -3.547 0.894 1.729 1.00 . A A . 6 CYS C 1 1 5 1604 1 1 6 CYS CA C -3.586 -0.241 2.748 1.00 . A A . 6 CYS CA 1 1 5 1605 1 1 6 CYS CB C -2.436 -1.216 2.505 1.00 . A A . 6 CYS CB 1 1 5 1606 1 1 6 CYS H H -4.792 -2.021 2.603 1.00 . A A . 6 CYS H 1 1 5 1607 1 1 6 CYS HA H -3.541 0.146 3.753 1.00 . A A . 6 CYS HA 1 1 5 1608 1 1 6 CYS HB2 H -2.719 -1.922 1.738 1.00 . A A . 6 CYS HB2 1 1 5 1609 1 1 6 CYS HB3 H -1.564 -0.669 2.185 1.00 . A A . 6 CYS HB3 1 1 5 1610 1 1 6 CYS N N -4.827 -1.046 2.548 1.00 . A A . 6 CYS N 1 1 5 1611 1 1 6 CYS O O -3.992 1.994 1.988 1.00 . A A . 6 CYS O 1 1 5 1612 1 1 6 CYS SG S -2.065 -2.106 4.037 1.00 . A A . 6 CYS SG 1 1 5 1613 1 1 7 ILE C C -4.319 2.406 -0.560 1.00 . A A . 7 ILE C 1 1 5 1614 1 1 7 ILE CA C -2.978 1.678 -0.480 1.00 . A A . 7 ILE CA 1 1 5 1615 1 1 7 ILE CB C -2.686 0.895 -1.752 1.00 . A A . 7 ILE CB 1 1 5 1616 1 1 7 ILE CD1 C -1.206 -1.049 -1.240 1.00 . A A . 7 ILE CD1 1 1 5 1617 1 1 7 ILE CG1 C -1.247 0.411 -1.696 1.00 . A A . 7 ILE CG1 1 1 5 1618 1 1 7 ILE CG2 C -2.885 1.780 -2.981 1.00 . A A . 7 ILE CG2 1 1 5 1619 1 1 7 ILE H H -2.687 -0.267 0.371 1.00 . A A . 7 ILE H 1 1 5 1620 1 1 7 ILE HA H -2.180 2.374 -0.276 1.00 . A A . 7 ILE HA 1 1 5 1621 1 1 7 ILE HB H -3.339 0.047 -1.806 1.00 . A A . 7 ILE HB 1 1 5 1622 1 1 7 ILE HD11 H -0.662 -1.637 -1.965 1.00 . A A . 7 ILE HD11 1 1 5 1623 1 1 7 ILE HD12 H -2.214 -1.428 -1.152 1.00 . A A . 7 ILE HD12 1 1 5 1624 1 1 7 ILE HD13 H -0.712 -1.113 -0.281 1.00 . A A . 7 ILE HD13 1 1 5 1625 1 1 7 ILE HG12 H -0.802 0.496 -2.670 1.00 . A A . 7 ILE HG12 1 1 5 1626 1 1 7 ILE HG13 H -0.708 1.018 -0.993 1.00 . A A . 7 ILE HG13 1 1 5 1627 1 1 7 ILE HG21 H -3.217 2.757 -2.670 1.00 . A A . 7 ILE HG21 1 1 5 1628 1 1 7 ILE HG22 H -3.627 1.335 -3.627 1.00 . A A . 7 ILE HG22 1 1 5 1629 1 1 7 ILE HG23 H -1.950 1.870 -3.514 1.00 . A A . 7 ILE HG23 1 1 5 1630 1 1 7 ILE N N -3.031 0.629 0.565 1.00 . A A . 7 ILE N 1 1 5 1631 1 1 7 ILE O O -4.380 3.614 -0.441 1.00 . A A . 7 ILE O 1 1 5 1632 1 1 8 TYR C C -6.801 3.413 0.301 1.00 . A A . 8 TYR C 1 1 5 1633 1 1 8 TYR CA C -6.726 2.364 -0.805 1.00 . A A . 8 TYR CA 1 1 5 1634 1 1 8 TYR CB C -7.755 1.257 -0.575 1.00 . A A . 8 TYR CB 1 1 5 1635 1 1 8 TYR CD1 C -9.489 0.403 -2.192 1.00 . A A . 8 TYR CD1 1 1 5 1636 1 1 8 TYR CD2 C -9.493 2.758 -1.613 1.00 . A A . 8 TYR CD2 1 1 5 1637 1 1 8 TYR CE1 C -10.589 0.609 -3.033 1.00 . A A . 8 TYR CE1 1 1 5 1638 1 1 8 TYR CE2 C -10.593 2.963 -2.454 1.00 . A A . 8 TYR CE2 1 1 5 1639 1 1 8 TYR CG C -8.941 1.477 -1.482 1.00 . A A . 8 TYR CG 1 1 5 1640 1 1 8 TYR CZ C -11.140 1.889 -3.165 1.00 . A A . 8 TYR CZ 1 1 5 1641 1 1 8 TYR H H -5.335 0.715 -0.823 1.00 . A A . 8 TYR H 1 1 5 1642 1 1 8 TYR HA H -6.874 2.820 -1.768 1.00 . A A . 8 TYR HA 1 1 5 1643 1 1 8 TYR HB2 H -7.307 0.298 -0.792 1.00 . A A . 8 TYR HB2 1 1 5 1644 1 1 8 TYR HB3 H -8.082 1.277 0.455 1.00 . A A . 8 TYR HB3 1 1 5 1645 1 1 8 TYR HD1 H -9.064 -0.585 -2.090 1.00 . A A . 8 TYR HD1 1 1 5 1646 1 1 8 TYR HD2 H -9.071 3.587 -1.064 1.00 . A A . 8 TYR HD2 1 1 5 1647 1 1 8 TYR HE1 H -11.012 -0.220 -3.581 1.00 . A A . 8 TYR HE1 1 1 5 1648 1 1 8 TYR HE2 H -11.018 3.951 -2.557 1.00 . A A . 8 TYR HE2 1 1 5 1649 1 1 8 TYR HH H -11.938 1.946 -4.898 1.00 . A A . 8 TYR HH 1 1 5 1650 1 1 8 TYR N N -5.398 1.690 -0.741 1.00 . A A . 8 TYR N 1 1 5 1651 1 1 8 TYR O O -7.268 4.516 0.101 1.00 . A A . 8 TYR O 1 1 5 1652 1 1 8 TYR OH O -12.225 2.091 -3.994 1.00 . A A . 8 TYR OH 1 1 5 1653 1 1 9 ASN C C -5.146 5.003 2.424 1.00 . A A . 9 ASN C 1 1 5 1654 1 1 9 ASN CA C -6.326 4.044 2.582 1.00 . A A . 9 ASN CA 1 1 5 1655 1 1 9 ASN CB C -6.165 3.169 3.832 1.00 . A A . 9 ASN CB 1 1 5 1656 1 1 9 ASN CG C -5.386 3.914 4.915 1.00 . A A . 9 ASN CG 1 1 5 1657 1 1 9 ASN H H -5.937 2.196 1.598 1.00 . A A . 9 ASN H 1 1 5 1658 1 1 9 ASN HA H -7.254 4.573 2.614 1.00 . A A . 9 ASN HA 1 1 5 1659 1 1 9 ASN HB2 H -7.133 2.905 4.207 1.00 . A A . 9 ASN HB2 1 1 5 1660 1 1 9 ASN HB3 H -5.628 2.271 3.569 1.00 . A A . 9 ASN HB3 1 1 5 1661 1 1 9 ASN HD21 H -3.665 3.052 4.445 1.00 . A A . 9 ASN HD21 1 1 5 1662 1 1 9 ASN HD22 H -3.597 4.160 5.719 1.00 . A A . 9 ASN HD22 1 1 5 1663 1 1 9 ASN N N -6.319 3.081 1.463 1.00 . A A . 9 ASN N 1 1 5 1664 1 1 9 ASN ND2 N -4.110 3.690 5.039 1.00 . A A . 9 ASN ND2 1 1 5 1665 1 1 9 ASN O O -5.305 6.193 2.244 1.00 . A A . 9 ASN O 1 1 5 1666 1 1 9 ASN OD1 O -5.944 4.704 5.651 1.00 . A A . 9 ASN OD1 1 1 5 1667 1 1 10 CYS C C -2.802 6.154 1.086 1.00 . A A . 10 CYS C 1 1 5 1668 1 1 10 CYS CA C -2.741 5.312 2.362 1.00 . A A . 10 CYS CA 1 1 5 1669 1 1 10 CYS CB C -1.583 4.316 2.293 1.00 . A A . 10 CYS CB 1 1 5 1670 1 1 10 CYS H H -3.878 3.508 2.648 1.00 . A A . 10 CYS H 1 1 5 1671 1 1 10 CYS HA H -2.629 5.940 3.223 1.00 . A A . 10 CYS HA 1 1 5 1672 1 1 10 CYS HB2 H -1.540 3.748 3.212 1.00 . A A . 10 CYS HB2 1 1 5 1673 1 1 10 CYS HB3 H -1.734 3.644 1.461 1.00 . A A . 10 CYS HB3 1 1 5 1674 1 1 10 CYS N N -3.962 4.471 2.497 1.00 . A A . 10 CYS N 1 1 5 1675 1 1 10 CYS O O -3.072 7.337 1.123 1.00 . A A . 10 CYS O 1 1 5 1676 1 1 10 CYS SG S -0.026 5.214 2.069 1.00 . A A . 10 CYS SG 1 1 5 1677 1 1 11 MET C C -3.742 7.299 -1.348 1.00 . A A . 11 MET C 1 1 5 1678 1 1 11 MET CA C -2.571 6.313 -1.325 1.00 . A A . 11 MET CA 1 1 5 1679 1 1 11 MET CB C -2.739 5.252 -2.408 1.00 . A A . 11 MET CB 1 1 5 1680 1 1 11 MET CE C 0.574 6.496 -2.564 1.00 . A A . 11 MET CE 1 1 5 1681 1 1 11 MET CG C -1.381 4.616 -2.704 1.00 . A A . 11 MET CG 1 1 5 1682 1 1 11 MET H H -2.319 4.598 -0.042 1.00 . A A . 11 MET H 1 1 5 1683 1 1 11 MET HA H -1.642 6.830 -1.472 1.00 . A A . 11 MET HA 1 1 5 1684 1 1 11 MET HB2 H -3.428 4.495 -2.067 1.00 . A A . 11 MET HB2 1 1 5 1685 1 1 11 MET HB3 H -3.123 5.712 -3.306 1.00 . A A . 11 MET HB3 1 1 5 1686 1 1 11 MET HE1 H 1.485 6.860 -3.020 1.00 . A A . 11 MET HE1 1 1 5 1687 1 1 11 MET HE2 H 0.821 5.786 -1.791 1.00 . A A . 11 MET HE2 1 1 5 1688 1 1 11 MET HE3 H 0.028 7.323 -2.131 1.00 . A A . 11 MET HE3 1 1 5 1689 1 1 11 MET HG2 H -0.831 4.485 -1.782 1.00 . A A . 11 MET HG2 1 1 5 1690 1 1 11 MET HG3 H -1.529 3.659 -3.171 1.00 . A A . 11 MET HG3 1 1 5 1691 1 1 11 MET N N -2.541 5.552 -0.040 1.00 . A A . 11 MET N 1 1 5 1692 1 1 11 MET O O -3.556 8.500 -1.335 1.00 . A A . 11 MET O 1 1 5 1693 1 1 11 MET SD S -0.447 5.693 -3.821 1.00 . A A . 11 MET SD 1 1 5 1694 1 1 12 ASN C C -5.943 8.883 -0.460 1.00 . A A . 12 ASN C 1 1 5 1695 1 1 12 ASN CA C -6.132 7.705 -1.420 1.00 . A A . 12 ASN CA 1 1 5 1696 1 1 12 ASN CB C -7.305 6.835 -0.972 1.00 . A A . 12 ASN CB 1 1 5 1697 1 1 12 ASN CG C -8.621 7.548 -1.285 1.00 . A A . 12 ASN CG 1 1 5 1698 1 1 12 ASN H H -5.068 5.829 -1.403 1.00 . A A . 12 ASN H 1 1 5 1699 1 1 12 ASN HA H -6.304 8.064 -2.418 1.00 . A A . 12 ASN HA 1 1 5 1700 1 1 12 ASN HB2 H -7.273 5.890 -1.498 1.00 . A A . 12 ASN HB2 1 1 5 1701 1 1 12 ASN HB3 H -7.236 6.658 0.090 1.00 . A A . 12 ASN HB3 1 1 5 1702 1 1 12 ASN HD21 H -9.689 6.425 -0.044 1.00 . A A . 12 ASN HD21 1 1 5 1703 1 1 12 ASN HD22 H -10.564 7.616 -0.880 1.00 . A A . 12 ASN HD22 1 1 5 1704 1 1 12 ASN N N -4.944 6.800 -1.388 1.00 . A A . 12 ASN N 1 1 5 1705 1 1 12 ASN ND2 N -9.715 7.164 -0.687 1.00 . A A . 12 ASN ND2 1 1 5 1706 1 1 12 ASN O O -5.842 10.022 -0.870 1.00 . A A . 12 ASN O 1 1 5 1707 1 1 12 ASN OD1 O -8.654 8.464 -2.082 1.00 . A A . 12 ASN OD1 1 1 5 1708 1 1 13 SER C C -4.896 9.229 2.994 1.00 . A A . 13 SER C 1 1 5 1709 1 1 13 SER CA C -5.721 9.712 1.798 1.00 . A A . 13 SER CA 1 1 5 1710 1 1 13 SER CB C -7.134 10.091 2.236 1.00 . A A . 13 SER CB 1 1 5 1711 1 1 13 SER H H -5.981 7.704 1.121 1.00 . A A . 13 SER H 1 1 5 1712 1 1 13 SER HA H -5.245 10.545 1.328 1.00 . A A . 13 SER HA 1 1 5 1713 1 1 13 SER HB2 H -7.351 9.640 3.190 1.00 . A A . 13 SER HB2 1 1 5 1714 1 1 13 SER HB3 H -7.207 11.167 2.324 1.00 . A A . 13 SER HB3 1 1 5 1715 1 1 13 SER HG H -8.152 8.668 1.385 1.00 . A A . 13 SER HG 1 1 5 1716 1 1 13 SER N N -5.898 8.618 0.814 1.00 . A A . 13 SER N 1 1 5 1717 1 1 13 SER O O -5.402 9.069 4.087 1.00 . A A . 13 SER O 1 1 5 1718 1 1 13 SER OG O -8.067 9.618 1.274 1.00 . A A . 13 SER OG 1 1 5 1719 1 1 14 GLY C C -1.411 8.084 3.358 1.00 . A A . 14 GLY C 1 1 5 1720 1 1 14 GLY CA C -2.770 8.525 3.906 1.00 . A A . 14 GLY CA 1 1 5 1721 1 1 14 GLY H H -3.243 9.126 1.914 1.00 . A A . 14 GLY H 1 1 5 1722 1 1 14 GLY HA2 H -2.633 9.327 4.615 1.00 . A A . 14 GLY HA2 1 1 5 1723 1 1 14 GLY HA3 H -3.246 7.691 4.387 1.00 . A A . 14 GLY HA3 1 1 5 1724 1 1 14 GLY N N -3.628 8.995 2.794 1.00 . A A . 14 GLY N 1 1 5 1725 1 1 14 GLY O O -0.804 7.154 3.850 1.00 . A A . 14 GLY O 1 1 5 1726 1 1 15 GLY C C 0.974 9.561 1.010 1.00 . A A . 15 GLY C 1 1 5 1727 1 1 15 GLY CA C 0.388 8.364 1.758 1.00 . A A . 15 GLY CA 1 1 5 1728 1 1 15 GLY H H -1.435 9.488 1.959 1.00 . A A . 15 GLY H 1 1 5 1729 1 1 15 GLY HA2 H 1.060 8.067 2.553 1.00 . A A . 15 GLY HA2 1 1 5 1730 1 1 15 GLY HA3 H 0.254 7.543 1.071 1.00 . A A . 15 GLY HA3 1 1 5 1731 1 1 15 GLY N N -0.930 8.743 2.340 1.00 . A A . 15 GLY N 1 1 5 1732 1 1 15 GLY O O 1.146 9.532 -0.193 1.00 . A A . 15 GLY O 1 1 5 1733 1 1 16 GLY C C 3.328 11.598 0.740 1.00 . A A . 16 GLY C 1 1 5 1734 1 1 16 GLY CA C 1.845 11.819 1.049 1.00 . A A . 16 GLY CA 1 1 5 1735 1 1 16 GLY H H 1.126 10.625 2.672 1.00 . A A . 16 GLY H 1 1 5 1736 1 1 16 GLY HA2 H 1.306 11.997 0.137 1.00 . A A . 16 GLY HA2 1 1 5 1737 1 1 16 GLY HA3 H 1.741 12.673 1.703 1.00 . A A . 16 GLY HA3 1 1 5 1738 1 1 16 GLY N N 1.278 10.619 1.713 1.00 . A A . 16 GLY N 1 1 5 1739 1 1 16 GLY O O 4.016 12.496 0.297 1.00 . A A . 16 GLY O 1 1 5 1740 1 1 17 LEU C C 5.402 9.484 -0.688 1.00 . A A . 17 LEU C 1 1 5 1741 1 1 17 LEU CA C 5.261 10.147 0.688 1.00 . A A . 17 LEU CA 1 1 5 1742 1 1 17 LEU CB C 5.692 9.224 1.835 1.00 . A A . 17 LEU CB 1 1 5 1743 1 1 17 LEU CD1 C 7.813 8.844 0.572 1.00 . A A . 17 LEU CD1 1 1 5 1744 1 1 17 LEU CD2 C 7.230 7.402 2.522 1.00 . A A . 17 LEU CD2 1 1 5 1745 1 1 17 LEU CG C 6.668 8.171 1.332 1.00 . A A . 17 LEU CG 1 1 5 1746 1 1 17 LEU H H 3.270 9.698 1.326 1.00 . A A . 17 LEU H 1 1 5 1747 1 1 17 LEU HA H 5.830 11.051 0.724 1.00 . A A . 17 LEU HA 1 1 5 1748 1 1 17 LEU HB2 H 6.167 9.811 2.606 1.00 . A A . 17 LEU HB2 1 1 5 1749 1 1 17 LEU HB3 H 4.821 8.735 2.245 1.00 . A A . 17 LEU HB3 1 1 5 1750 1 1 17 LEU HD11 H 7.946 8.357 -0.384 1.00 . A A . 17 LEU HD11 1 1 5 1751 1 1 17 LEU HD12 H 8.724 8.763 1.146 1.00 . A A . 17 LEU HD12 1 1 5 1752 1 1 17 LEU HD13 H 7.578 9.887 0.414 1.00 . A A . 17 LEU HD13 1 1 5 1753 1 1 17 LEU HD21 H 6.905 7.873 3.438 1.00 . A A . 17 LEU HD21 1 1 5 1754 1 1 17 LEU HD22 H 8.309 7.409 2.475 1.00 . A A . 17 LEU HD22 1 1 5 1755 1 1 17 LEU HD23 H 6.874 6.384 2.493 1.00 . A A . 17 LEU HD23 1 1 5 1756 1 1 17 LEU HG H 6.142 7.498 0.677 1.00 . A A . 17 LEU HG 1 1 5 1757 1 1 17 LEU N N 3.831 10.415 0.970 1.00 . A A . 17 LEU N 1 1 5 1758 1 1 17 LEU O O 6.018 10.023 -1.586 1.00 . A A . 17 LEU O 1 1 5 1759 1 1 18 SER C C 3.863 6.568 -2.320 1.00 . A A . 18 SER C 1 1 5 1760 1 1 18 SER CA C 4.954 7.627 -2.170 1.00 . A A . 18 SER CA 1 1 5 1761 1 1 18 SER CB C 6.322 6.960 -2.143 1.00 . A A . 18 SER CB 1 1 5 1762 1 1 18 SER H H 4.361 7.899 -0.120 1.00 . A A . 18 SER H 1 1 5 1763 1 1 18 SER HA H 4.907 8.332 -2.980 1.00 . A A . 18 SER HA 1 1 5 1764 1 1 18 SER HB2 H 6.728 7.014 -1.150 1.00 . A A . 18 SER HB2 1 1 5 1765 1 1 18 SER HB3 H 6.218 5.922 -2.428 1.00 . A A . 18 SER HB3 1 1 5 1766 1 1 18 SER HG H 8.095 7.385 -2.825 1.00 . A A . 18 SER HG 1 1 5 1767 1 1 18 SER N N 4.843 8.319 -0.857 1.00 . A A . 18 SER N 1 1 5 1768 1 1 18 SER O O 2.931 6.494 -1.544 1.00 . A A . 18 SER O 1 1 5 1769 1 1 18 SER OG O 7.193 7.629 -3.045 1.00 . A A . 18 SER OG 1 1 5 1770 1 1 19 PHE C C 3.680 3.316 -3.345 1.00 . A A . 19 PHE C 1 1 5 1771 1 1 19 PHE CA C 3.001 4.660 -3.550 1.00 . A A . 19 PHE CA 1 1 5 1772 1 1 19 PHE CB C 2.579 4.829 -5.012 1.00 . A A . 19 PHE CB 1 1 5 1773 1 1 19 PHE CD1 C 0.928 2.922 -4.899 1.00 . A A . 19 PHE CD1 1 1 5 1774 1 1 19 PHE CD2 C 2.568 2.941 -6.685 1.00 . A A . 19 PHE CD2 1 1 5 1775 1 1 19 PHE CE1 C 0.404 1.720 -5.393 1.00 . A A . 19 PHE CE1 1 1 5 1776 1 1 19 PHE CE2 C 2.046 1.740 -7.179 1.00 . A A . 19 PHE CE2 1 1 5 1777 1 1 19 PHE CG C 2.010 3.532 -5.545 1.00 . A A . 19 PHE CG 1 1 5 1778 1 1 19 PHE CZ C 0.964 1.130 -6.533 1.00 . A A . 19 PHE CZ 1 1 5 1779 1 1 19 PHE H H 4.772 5.828 -3.909 1.00 . A A . 19 PHE H 1 1 5 1780 1 1 19 PHE HA H 2.152 4.763 -2.896 1.00 . A A . 19 PHE HA 1 1 5 1781 1 1 19 PHE HB2 H 1.835 5.602 -5.081 1.00 . A A . 19 PHE HB2 1 1 5 1782 1 1 19 PHE HB3 H 3.442 5.109 -5.602 1.00 . A A . 19 PHE HB3 1 1 5 1783 1 1 19 PHE HD1 H 0.496 3.377 -4.019 1.00 . A A . 19 PHE HD1 1 1 5 1784 1 1 19 PHE HD2 H 3.404 3.411 -7.182 1.00 . A A . 19 PHE HD2 1 1 5 1785 1 1 19 PHE HE1 H -0.430 1.250 -4.896 1.00 . A A . 19 PHE HE1 1 1 5 1786 1 1 19 PHE HE2 H 2.476 1.285 -8.058 1.00 . A A . 19 PHE HE2 1 1 5 1787 1 1 19 PHE HZ H 0.560 0.203 -6.915 1.00 . A A . 19 PHE HZ 1 1 5 1788 1 1 19 PHE N N 3.997 5.742 -3.314 1.00 . A A . 19 PHE N 1 1 5 1789 1 1 19 PHE O O 3.345 2.562 -2.453 1.00 . A A . 19 PHE O 1 1 5 1790 1 1 20 ILE C C 5.641 1.464 -2.558 1.00 . A A . 20 ILE C 1 1 5 1791 1 1 20 ILE CA C 5.372 1.739 -4.035 1.00 . A A . 20 ILE CA 1 1 5 1792 1 1 20 ILE CB C 6.678 1.939 -4.802 1.00 . A A . 20 ILE CB 1 1 5 1793 1 1 20 ILE CD1 C 8.706 3.386 -5.007 1.00 . A A . 20 ILE CD1 1 1 5 1794 1 1 20 ILE CG1 C 7.297 3.287 -4.419 1.00 . A A . 20 ILE CG1 1 1 5 1795 1 1 20 ILE CG2 C 6.399 1.916 -6.305 1.00 . A A . 20 ILE CG2 1 1 5 1796 1 1 20 ILE H H 4.885 3.664 -4.871 1.00 . A A . 20 ILE H 1 1 5 1797 1 1 20 ILE HA H 4.801 0.936 -4.470 1.00 . A A . 20 ILE HA 1 1 5 1798 1 1 20 ILE HB H 7.364 1.144 -4.552 1.00 . A A . 20 ILE HB 1 1 5 1799 1 1 20 ILE HD11 H 9.406 3.634 -4.222 1.00 . A A . 20 ILE HD11 1 1 5 1800 1 1 20 ILE HD12 H 8.726 4.156 -5.764 1.00 . A A . 20 ILE HD12 1 1 5 1801 1 1 20 ILE HD13 H 8.979 2.439 -5.448 1.00 . A A . 20 ILE HD13 1 1 5 1802 1 1 20 ILE HG12 H 6.686 4.087 -4.810 1.00 . A A . 20 ILE HG12 1 1 5 1803 1 1 20 ILE HG13 H 7.351 3.366 -3.344 1.00 . A A . 20 ILE HG13 1 1 5 1804 1 1 20 ILE HG21 H 5.827 1.032 -6.551 1.00 . A A . 20 ILE HG21 1 1 5 1805 1 1 20 ILE HG22 H 7.334 1.902 -6.845 1.00 . A A . 20 ILE HG22 1 1 5 1806 1 1 20 ILE HG23 H 5.837 2.796 -6.580 1.00 . A A . 20 ILE HG23 1 1 5 1807 1 1 20 ILE N N 4.642 3.026 -4.168 1.00 . A A . 20 ILE N 1 1 5 1808 1 1 20 ILE O O 5.704 0.330 -2.127 1.00 . A A . 20 ILE O 1 1 5 1809 1 1 21 GLN C C 4.762 1.631 0.280 1.00 . A A . 21 GLN C 1 1 5 1810 1 1 21 GLN CA C 6.002 2.293 -0.318 1.00 . A A . 21 GLN CA 1 1 5 1811 1 1 21 GLN CB C 6.203 3.693 0.260 1.00 . A A . 21 GLN CB 1 1 5 1812 1 1 21 GLN CD C 8.680 3.658 -0.053 1.00 . A A . 21 GLN CD 1 1 5 1813 1 1 21 GLN CG C 7.382 4.370 -0.439 1.00 . A A . 21 GLN CG 1 1 5 1814 1 1 21 GLN H H 5.695 3.408 -2.137 1.00 . A A . 21 GLN H 1 1 5 1815 1 1 21 GLN HA H 6.878 1.687 -0.152 1.00 . A A . 21 GLN HA 1 1 5 1816 1 1 21 GLN HB2 H 5.307 4.279 0.106 1.00 . A A . 21 GLN HB2 1 1 5 1817 1 1 21 GLN HB3 H 6.406 3.620 1.318 1.00 . A A . 21 GLN HB3 1 1 5 1818 1 1 21 GLN HE21 H 8.947 2.873 -1.857 1.00 . A A . 21 GLN HE21 1 1 5 1819 1 1 21 GLN HE22 H 10.139 2.486 -0.712 1.00 . A A . 21 GLN HE22 1 1 5 1820 1 1 21 GLN HG2 H 7.246 4.315 -1.509 1.00 . A A . 21 GLN HG2 1 1 5 1821 1 1 21 GLN HG3 H 7.438 5.405 -0.135 1.00 . A A . 21 GLN HG3 1 1 5 1822 1 1 21 GLN N N 5.771 2.500 -1.773 1.00 . A A . 21 GLN N 1 1 5 1823 1 1 21 GLN NE2 N 9.307 2.947 -0.948 1.00 . A A . 21 GLN NE2 1 1 5 1824 1 1 21 GLN O O 4.790 0.486 0.682 1.00 . A A . 21 GLN O 1 1 5 1825 1 1 21 GLN OE1 O 9.126 3.752 1.073 1.00 . A A . 21 GLN OE1 1 1 5 1826 1 1 22 CYS C C 1.996 0.560 -0.021 1.00 . A A . 22 CYS C 1 1 5 1827 1 1 22 CYS CA C 2.415 1.739 0.858 1.00 . A A . 22 CYS CA 1 1 5 1828 1 1 22 CYS CB C 1.370 2.853 0.791 1.00 . A A . 22 CYS CB 1 1 5 1829 1 1 22 CYS H H 3.658 3.251 -0.035 1.00 . A A . 22 CYS H 1 1 5 1830 1 1 22 CYS HA H 2.558 1.421 1.879 1.00 . A A . 22 CYS HA 1 1 5 1831 1 1 22 CYS HB2 H 1.591 3.504 -0.044 1.00 . A A . 22 CYS HB2 1 1 5 1832 1 1 22 CYS HB3 H 0.389 2.418 0.659 1.00 . A A . 22 CYS HB3 1 1 5 1833 1 1 22 CYS N N 3.664 2.336 0.314 1.00 . A A . 22 CYS N 1 1 5 1834 1 1 22 CYS O O 1.468 -0.426 0.453 1.00 . A A . 22 CYS O 1 1 5 1835 1 1 22 CYS SG S 1.403 3.810 2.327 1.00 . A A . 22 CYS SG 1 1 5 1836 1 1 23 LYS C C 2.317 -1.799 -1.613 1.00 . A A . 23 LYS C 1 1 5 1837 1 1 23 LYS CA C 1.857 -0.466 -2.210 1.00 . A A . 23 LYS CA 1 1 5 1838 1 1 23 LYS CB C 2.597 -0.184 -3.518 1.00 . A A . 23 LYS CB 1 1 5 1839 1 1 23 LYS CD C 0.889 -1.628 -4.628 1.00 . A A . 23 LYS CD 1 1 5 1840 1 1 23 LYS CE C 0.669 -2.728 -5.667 1.00 . A A . 23 LYS CE 1 1 5 1841 1 1 23 LYS CG C 2.387 -1.351 -4.484 1.00 . A A . 23 LYS CG 1 1 5 1842 1 1 23 LYS H H 2.669 1.457 -1.669 1.00 . A A . 23 LYS H 1 1 5 1843 1 1 23 LYS HA H 0.792 -0.472 -2.381 1.00 . A A . 23 LYS HA 1 1 5 1844 1 1 23 LYS HB2 H 2.212 0.724 -3.959 1.00 . A A . 23 LYS HB2 1 1 5 1845 1 1 23 LYS HB3 H 3.652 -0.070 -3.318 1.00 . A A . 23 LYS HB3 1 1 5 1846 1 1 23 LYS HD2 H 0.490 -1.946 -3.676 1.00 . A A . 23 LYS HD2 1 1 5 1847 1 1 23 LYS HD3 H 0.386 -0.728 -4.947 1.00 . A A . 23 LYS HD3 1 1 5 1848 1 1 23 LYS HE2 H 0.898 -2.359 -6.658 1.00 . A A . 23 LYS HE2 1 1 5 1849 1 1 23 LYS HE3 H 1.271 -3.593 -5.435 1.00 . A A . 23 LYS HE3 1 1 5 1850 1 1 23 LYS HG2 H 2.802 -1.099 -5.449 1.00 . A A . 23 LYS HG2 1 1 5 1851 1 1 23 LYS HG3 H 2.878 -2.232 -4.099 1.00 . A A . 23 LYS HG3 1 1 5 1852 1 1 23 LYS HZ1 H -0.912 -3.776 -4.809 1.00 . A A . 23 LYS HZ1 1 1 5 1853 1 1 23 LYS HZ2 H -1.109 -3.458 -6.466 1.00 . A A . 23 LYS HZ2 1 1 5 1854 1 1 23 LYS HZ3 H -1.319 -2.214 -5.328 1.00 . A A . 23 LYS HZ3 1 1 5 1855 1 1 23 LYS N N 2.235 0.653 -1.304 1.00 . A A . 23 LYS N 1 1 5 1856 1 1 23 LYS NZ N -0.777 -3.070 -5.559 1.00 . A A . 23 LYS NZ 1 1 5 1857 1 1 23 LYS O O 1.763 -2.843 -1.895 1.00 . A A . 23 LYS O 1 1 5 1858 1 1 24 THR C C 4.082 -2.830 1.324 1.00 . A A . 24 THR C 1 1 5 1859 1 1 24 THR CA C 3.829 -3.032 -0.173 1.00 . A A . 24 THR CA 1 1 5 1860 1 1 24 THR CB C 5.138 -3.339 -0.904 1.00 . A A . 24 THR CB 1 1 5 1861 1 1 24 THR CG2 C 6.206 -2.324 -0.494 1.00 . A A . 24 THR CG2 1 1 5 1862 1 1 24 THR H H 3.762 -0.915 -0.576 1.00 . A A . 24 THR H 1 1 5 1863 1 1 24 THR HA H 3.125 -3.829 -0.330 1.00 . A A . 24 THR HA 1 1 5 1864 1 1 24 THR HB H 4.979 -3.278 -1.969 1.00 . A A . 24 THR HB 1 1 5 1865 1 1 24 THR HG1 H 5.516 -5.193 -1.352 1.00 . A A . 24 THR HG1 1 1 5 1866 1 1 24 THR HG21 H 6.408 -2.419 0.562 1.00 . A A . 24 THR HG21 1 1 5 1867 1 1 24 THR HG22 H 5.854 -1.325 -0.705 1.00 . A A . 24 THR HG22 1 1 5 1868 1 1 24 THR HG23 H 7.112 -2.510 -1.053 1.00 . A A . 24 THR HG23 1 1 5 1869 1 1 24 THR N N 3.329 -1.769 -0.788 1.00 . A A . 24 THR N 1 1 5 1870 1 1 24 THR O O 3.765 -3.676 2.136 1.00 . A A . 24 THR O 1 1 5 1871 1 1 24 THR OG1 O 5.572 -4.648 -0.563 1.00 . A A . 24 THR OG1 1 1 5 1872 1 1 25 MET C C 3.715 -1.859 3.981 1.00 . A A . 25 MET C 1 1 5 1873 1 1 25 MET CA C 4.925 -1.460 3.134 1.00 . A A . 25 MET CA 1 1 5 1874 1 1 25 MET CB C 5.174 0.045 3.234 1.00 . A A . 25 MET CB 1 1 5 1875 1 1 25 MET CE C 8.419 1.622 4.077 1.00 . A A . 25 MET CE 1 1 5 1876 1 1 25 MET CG C 6.515 0.389 2.582 1.00 . A A . 25 MET CG 1 1 5 1877 1 1 25 MET H H 4.897 -1.052 1.022 1.00 . A A . 25 MET H 1 1 5 1878 1 1 25 MET HA H 5.800 -1.998 3.449 1.00 . A A . 25 MET HA 1 1 5 1879 1 1 25 MET HB2 H 4.379 0.576 2.729 1.00 . A A . 25 MET HB2 1 1 5 1880 1 1 25 MET HB3 H 5.197 0.337 4.274 1.00 . A A . 25 MET HB3 1 1 5 1881 1 1 25 MET HE1 H 7.559 2.258 4.237 1.00 . A A . 25 MET HE1 1 1 5 1882 1 1 25 MET HE2 H 8.998 2.004 3.251 1.00 . A A . 25 MET HE2 1 1 5 1883 1 1 25 MET HE3 H 9.033 1.607 4.968 1.00 . A A . 25 MET HE3 1 1 5 1884 1 1 25 MET HG2 H 6.617 -0.161 1.658 1.00 . A A . 25 MET HG2 1 1 5 1885 1 1 25 MET HG3 H 6.554 1.448 2.377 1.00 . A A . 25 MET HG3 1 1 5 1886 1 1 25 MET N N 4.650 -1.717 1.692 1.00 . A A . 25 MET N 1 1 5 1887 1 1 25 MET O O 3.698 -2.899 4.608 1.00 . A A . 25 MET O 1 1 5 1888 1 1 25 MET SD S 7.863 -0.060 3.703 1.00 . A A . 25 MET SD 1 1 5 1889 1 1 26 CYS C C 1.074 -2.813 4.560 1.00 . A A . 26 CYS C 1 1 5 1890 1 1 26 CYS CA C 1.496 -1.364 4.810 1.00 . A A . 26 CYS CA 1 1 5 1891 1 1 26 CYS CB C 0.415 -0.397 4.321 1.00 . A A . 26 CYS CB 1 1 5 1892 1 1 26 CYS H H 2.743 -0.202 3.490 1.00 . A A . 26 CYS H 1 1 5 1893 1 1 26 CYS HA H 1.687 -1.204 5.859 1.00 . A A . 26 CYS HA 1 1 5 1894 1 1 26 CYS HB2 H 0.725 0.618 4.518 1.00 . A A . 26 CYS HB2 1 1 5 1895 1 1 26 CYS HB3 H 0.268 -0.529 3.260 1.00 . A A . 26 CYS HB3 1 1 5 1896 1 1 26 CYS N N 2.705 -1.035 4.003 1.00 . A A . 26 CYS N 1 1 5 1897 1 1 26 CYS O O 0.516 -3.141 3.531 1.00 . A A . 26 CYS O 1 1 5 1898 1 1 26 CYS SG S -1.135 -0.734 5.192 1.00 . A A . 26 CYS SG 1 1 5 1899 1 1 27 TYR C C -0.537 -5.298 5.601 1.00 . A A . 27 TYR C 1 1 5 1900 1 1 27 TYR CA C 0.956 -5.111 5.317 1.00 . A A . 27 TYR CA 1 1 5 1901 1 1 27 TYR CB C 1.798 -5.871 6.341 1.00 . A A . 27 TYR CB 1 1 5 1902 1 1 27 TYR CD1 C 0.879 -8.206 6.583 1.00 . A A . 27 TYR CD1 1 1 5 1903 1 1 27 TYR CD2 C 2.750 -7.838 5.085 1.00 . A A . 27 TYR CD2 1 1 5 1904 1 1 27 TYR CE1 C 0.890 -9.568 6.262 1.00 . A A . 27 TYR CE1 1 1 5 1905 1 1 27 TYR CE2 C 2.762 -9.200 4.764 1.00 . A A . 27 TYR CE2 1 1 5 1906 1 1 27 TYR CG C 1.809 -7.340 5.995 1.00 . A A . 27 TYR CG 1 1 5 1907 1 1 27 TYR CZ C 1.831 -10.065 5.352 1.00 . A A . 27 TYR CZ 1 1 5 1908 1 1 27 TYR H H 1.788 -3.395 6.316 1.00 . A A . 27 TYR H 1 1 5 1909 1 1 27 TYR HA H 1.196 -5.445 4.321 1.00 . A A . 27 TYR HA 1 1 5 1910 1 1 27 TYR HB2 H 2.810 -5.488 6.327 1.00 . A A . 27 TYR HB2 1 1 5 1911 1 1 27 TYR HB3 H 1.373 -5.735 7.326 1.00 . A A . 27 TYR HB3 1 1 5 1912 1 1 27 TYR HD1 H 0.152 -7.822 7.285 1.00 . A A . 27 TYR HD1 1 1 5 1913 1 1 27 TYR HD2 H 3.468 -7.169 4.632 1.00 . A A . 27 TYR HD2 1 1 5 1914 1 1 27 TYR HE1 H 0.172 -10.237 6.715 1.00 . A A . 27 TYR HE1 1 1 5 1915 1 1 27 TYR HE2 H 3.487 -9.583 4.062 1.00 . A A . 27 TYR HE2 1 1 5 1916 1 1 27 TYR HH H 1.066 -11.594 4.502 1.00 . A A . 27 TYR HH 1 1 5 1917 1 1 27 TYR N N 1.337 -3.682 5.495 1.00 . A A . 27 TYR N 1 1 5 1918 1 1 27 TYR O O -0.900 -5.322 6.766 1.00 . A A . 27 TYR O 1 1 5 1919 1 1 27 TYR OXT O -1.292 -5.413 4.649 1.00 . A A . 27 TYR OXT 1 1 5 1920 1 1 27 TYR OH O 1.842 -11.408 5.036 1.00 . A A . 27 TYR OH 1 1 6 1921 1 1 1 GLY C C -5.958 -7.585 3.171 1.00 . A A . 1 GLY C 1 1 6 1922 1 1 1 GLY CA C -7.418 -7.695 2.728 1.00 . A A . 1 GLY CA 1 1 6 1923 1 1 1 GLY H1 H -7.639 -8.904 1.048 1.00 . A A . 1 GLY H1 1 1 6 1924 1 1 1 GLY H2 H -6.581 -7.594 0.824 1.00 . A A . 1 GLY H2 1 1 6 1925 1 1 1 GLY H3 H -8.260 -7.338 0.856 1.00 . A A . 1 GLY H3 1 1 6 1926 1 1 1 GLY HA2 H -7.946 -6.788 2.989 1.00 . A A . 1 GLY HA2 1 1 6 1927 1 1 1 GLY HA3 H -7.879 -8.535 3.227 1.00 . A A . 1 GLY HA3 1 1 6 1928 1 1 1 GLY N N -7.480 -7.899 1.253 1.00 . A A . 1 GLY N 1 1 6 1929 1 1 1 GLY O O -5.525 -8.252 4.088 1.00 . A A . 1 GLY O 1 1 6 1930 1 1 2 GLY C C -3.167 -5.385 2.191 1.00 . A A . 2 GLY C 1 1 6 1931 1 1 2 GLY CA C -3.763 -6.596 2.908 1.00 . A A . 2 GLY CA 1 1 6 1932 1 1 2 GLY H H -5.563 -6.218 1.786 1.00 . A A . 2 GLY H 1 1 6 1933 1 1 2 GLY HA2 H -3.690 -6.456 3.978 1.00 . A A . 2 GLY HA2 1 1 6 1934 1 1 2 GLY HA3 H -3.218 -7.483 2.623 1.00 . A A . 2 GLY HA3 1 1 6 1935 1 1 2 GLY N N -5.195 -6.747 2.524 1.00 . A A . 2 GLY N 1 1 6 1936 1 1 2 GLY O O -2.903 -4.362 2.792 1.00 . A A . 2 GLY O 1 1 6 1937 1 1 3 LEU C C -3.491 -3.476 -0.426 1.00 . A A . 3 LEU C 1 1 6 1938 1 1 3 LEU CA C -2.374 -4.343 0.154 1.00 . A A . 3 LEU CA 1 1 6 1939 1 1 3 LEU CB C -1.549 -4.978 -0.965 1.00 . A A . 3 LEU CB 1 1 6 1940 1 1 3 LEU CD1 C -0.230 -7.077 -1.278 1.00 . A A . 3 LEU CD1 1 1 6 1941 1 1 3 LEU CD2 C 0.827 -5.086 -0.199 1.00 . A A . 3 LEU CD2 1 1 6 1942 1 1 3 LEU CG C -0.473 -5.879 -0.358 1.00 . A A . 3 LEU CG 1 1 6 1943 1 1 3 LEU H H -3.173 -6.323 0.441 1.00 . A A . 3 LEU H 1 1 6 1944 1 1 3 LEU HA H -1.737 -3.757 0.792 1.00 . A A . 3 LEU HA 1 1 6 1945 1 1 3 LEU HB2 H -2.197 -5.567 -1.600 1.00 . A A . 3 LEU HB2 1 1 6 1946 1 1 3 LEU HB3 H -1.078 -4.203 -1.551 1.00 . A A . 3 LEU HB3 1 1 6 1947 1 1 3 LEU HD11 H -0.920 -7.038 -2.108 1.00 . A A . 3 LEU HD11 1 1 6 1948 1 1 3 LEU HD12 H -0.382 -7.992 -0.726 1.00 . A A . 3 LEU HD12 1 1 6 1949 1 1 3 LEU HD13 H 0.783 -7.045 -1.650 1.00 . A A . 3 LEU HD13 1 1 6 1950 1 1 3 LEU HD21 H 1.164 -5.149 0.825 1.00 . A A . 3 LEU HD21 1 1 6 1951 1 1 3 LEU HD22 H 0.651 -4.052 -0.458 1.00 . A A . 3 LEU HD22 1 1 6 1952 1 1 3 LEU HD23 H 1.581 -5.497 -0.852 1.00 . A A . 3 LEU HD23 1 1 6 1953 1 1 3 LEU HG H -0.802 -6.231 0.610 1.00 . A A . 3 LEU HG 1 1 6 1954 1 1 3 LEU N N -2.953 -5.490 0.909 1.00 . A A . 3 LEU N 1 1 6 1955 1 1 3 LEU O O -3.458 -2.264 -0.347 1.00 . A A . 3 LEU O 1 1 6 1956 1 1 4 GLY C C -6.009 -2.185 -0.655 1.00 . A A . 4 GLY C 1 1 6 1957 1 1 4 GLY CA C -5.605 -3.316 -1.601 1.00 . A A . 4 GLY CA 1 1 6 1958 1 1 4 GLY H H -4.481 -5.067 -1.062 1.00 . A A . 4 GLY H 1 1 6 1959 1 1 4 GLY HA2 H -5.291 -2.899 -2.545 1.00 . A A . 4 GLY HA2 1 1 6 1960 1 1 4 GLY HA3 H -6.451 -3.969 -1.758 1.00 . A A . 4 GLY HA3 1 1 6 1961 1 1 4 GLY N N -4.480 -4.092 -1.010 1.00 . A A . 4 GLY N 1 1 6 1962 1 1 4 GLY O O -6.145 -1.045 -1.053 1.00 . A A . 4 GLY O 1 1 6 1963 1 1 5 ARG C C -5.400 -0.568 1.928 1.00 . A A . 5 ARG C 1 1 6 1964 1 1 5 ARG CA C -6.604 -1.437 1.573 1.00 . A A . 5 ARG CA 1 1 6 1965 1 1 5 ARG CB C -7.097 -2.199 2.802 1.00 . A A . 5 ARG CB 1 1 6 1966 1 1 5 ARG CD C -9.171 -2.658 1.482 1.00 . A A . 5 ARG CD 1 1 6 1967 1 1 5 ARG CG C -8.627 -2.187 2.833 1.00 . A A . 5 ARG CG 1 1 6 1968 1 1 5 ARG CZ C -9.656 -0.436 0.641 1.00 . A A . 5 ARG CZ 1 1 6 1969 1 1 5 ARG H H -6.089 -3.418 0.892 1.00 . A A . 5 ARG H 1 1 6 1970 1 1 5 ARG HA H -7.396 -0.828 1.171 1.00 . A A . 5 ARG HA 1 1 6 1971 1 1 5 ARG HB2 H -6.745 -3.220 2.758 1.00 . A A . 5 ARG HB2 1 1 6 1972 1 1 5 ARG HB3 H -6.718 -1.725 3.695 1.00 . A A . 5 ARG HB3 1 1 6 1973 1 1 5 ARG HD2 H -8.367 -2.763 0.769 1.00 . A A . 5 ARG HD2 1 1 6 1974 1 1 5 ARG HD3 H -9.700 -3.592 1.594 1.00 . A A . 5 ARG HD3 1 1 6 1975 1 1 5 ARG HE H -11.081 -1.750 1.072 1.00 . A A . 5 ARG HE 1 1 6 1976 1 1 5 ARG HG2 H -8.975 -2.849 3.612 1.00 . A A . 5 ARG HG2 1 1 6 1977 1 1 5 ARG HG3 H -8.975 -1.185 3.031 1.00 . A A . 5 ARG HG3 1 1 6 1978 1 1 5 ARG HH11 H -9.477 -1.008 -1.271 1.00 . A A . 5 ARG HH11 1 1 6 1979 1 1 5 ARG HH12 H -9.018 0.624 -0.935 1.00 . A A . 5 ARG HH12 1 1 6 1980 1 1 5 ARG HH21 H -9.718 0.407 2.457 1.00 . A A . 5 ARG HH21 1 1 6 1981 1 1 5 ARG HH22 H -9.139 1.419 1.186 1.00 . A A . 5 ARG HH22 1 1 6 1982 1 1 5 ARG N N -6.205 -2.492 0.596 1.00 . A A . 5 ARG N 1 1 6 1983 1 1 5 ARG NE N -10.114 -1.588 1.050 1.00 . A A . 5 ARG NE 1 1 6 1984 1 1 5 ARG NH1 N -9.358 -0.260 -0.620 1.00 . A A . 5 ARG NH1 1 1 6 1985 1 1 5 ARG NH2 N -9.492 0.541 1.495 1.00 . A A . 5 ARG NH2 1 1 6 1986 1 1 5 ARG O O -5.510 0.633 2.078 1.00 . A A . 5 ARG O 1 1 6 1987 1 1 6 CYS C C -2.939 0.830 1.445 1.00 . A A . 6 CYS C 1 1 6 1988 1 1 6 CYS CA C -3.043 -0.361 2.394 1.00 . A A . 6 CYS CA 1 1 6 1989 1 1 6 CYS CB C -1.866 -1.314 2.197 1.00 . A A . 6 CYS CB 1 1 6 1990 1 1 6 CYS H H -4.181 -2.130 1.926 1.00 . A A . 6 CYS H 1 1 6 1991 1 1 6 CYS HA H -3.084 -0.027 3.415 1.00 . A A . 6 CYS HA 1 1 6 1992 1 1 6 CYS HB2 H -2.129 -2.063 1.465 1.00 . A A . 6 CYS HB2 1 1 6 1993 1 1 6 CYS HB3 H -1.006 -0.758 1.852 1.00 . A A . 6 CYS HB3 1 1 6 1994 1 1 6 CYS N N -4.251 -1.161 2.057 1.00 . A A . 6 CYS N 1 1 6 1995 1 1 6 CYS O O -3.064 1.970 1.843 1.00 . A A . 6 CYS O 1 1 6 1996 1 1 6 CYS SG S -1.476 -2.114 3.772 1.00 . A A . 6 CYS SG 1 1 6 1997 1 1 7 ILE C C -3.793 2.626 -0.663 1.00 . A A . 7 ILE C 1 1 6 1998 1 1 7 ILE CA C -2.604 1.676 -0.792 1.00 . A A . 7 ILE CA 1 1 6 1999 1 1 7 ILE CB C -2.598 0.985 -2.152 1.00 . A A . 7 ILE CB 1 1 6 2000 1 1 7 ILE CD1 C -1.650 -1.316 -1.972 1.00 . A A . 7 ILE CD1 1 1 6 2001 1 1 7 ILE CG1 C -1.337 0.151 -2.271 1.00 . A A . 7 ILE CG1 1 1 6 2002 1 1 7 ILE CG2 C -2.616 2.029 -3.267 1.00 . A A . 7 ILE CG2 1 1 6 2003 1 1 7 ILE H H -2.620 -0.358 -0.107 1.00 . A A . 7 ILE H 1 1 6 2004 1 1 7 ILE HA H -1.681 2.207 -0.647 1.00 . A A . 7 ILE HA 1 1 6 2005 1 1 7 ILE HB H -3.454 0.346 -2.235 1.00 . A A . 7 ILE HB 1 1 6 2006 1 1 7 ILE HD11 H -1.423 -1.528 -0.938 1.00 . A A . 7 ILE HD11 1 1 6 2007 1 1 7 ILE HD12 H -1.052 -1.949 -2.610 1.00 . A A . 7 ILE HD12 1 1 6 2008 1 1 7 ILE HD13 H -2.698 -1.506 -2.157 1.00 . A A . 7 ILE HD13 1 1 6 2009 1 1 7 ILE HG12 H -0.946 0.238 -3.269 1.00 . A A . 7 ILE HG12 1 1 6 2010 1 1 7 ILE HG13 H -0.616 0.516 -1.566 1.00 . A A . 7 ILE HG13 1 1 6 2011 1 1 7 ILE HG21 H -3.237 2.860 -2.975 1.00 . A A . 7 ILE HG21 1 1 6 2012 1 1 7 ILE HG22 H -3.008 1.583 -4.170 1.00 . A A . 7 ILE HG22 1 1 6 2013 1 1 7 ILE HG23 H -1.608 2.377 -3.448 1.00 . A A . 7 ILE HG23 1 1 6 2014 1 1 7 ILE N N -2.715 0.569 0.191 1.00 . A A . 7 ILE N 1 1 6 2015 1 1 7 ILE O O -3.636 3.829 -0.639 1.00 . A A . 7 ILE O 1 1 6 2016 1 1 8 TYR C C -5.983 3.923 0.767 1.00 . A A . 8 TYR C 1 1 6 2017 1 1 8 TYR CA C -6.165 3.002 -0.438 1.00 . A A . 8 TYR CA 1 1 6 2018 1 1 8 TYR CB C -7.357 2.086 -0.224 1.00 . A A . 8 TYR CB 1 1 6 2019 1 1 8 TYR CD1 C -9.181 3.659 0.525 1.00 . A A . 8 TYR CD1 1 1 6 2020 1 1 8 TYR CD2 C -9.235 2.808 -1.746 1.00 . A A . 8 TYR CD2 1 1 6 2021 1 1 8 TYR CE1 C -10.352 4.386 0.280 1.00 . A A . 8 TYR CE1 1 1 6 2022 1 1 8 TYR CE2 C -10.407 3.534 -1.990 1.00 . A A . 8 TYR CE2 1 1 6 2023 1 1 8 TYR CG C -8.622 2.869 -0.489 1.00 . A A . 8 TYR CG 1 1 6 2024 1 1 8 TYR CZ C -10.965 4.323 -0.976 1.00 . A A . 8 TYR CZ 1 1 6 2025 1 1 8 TYR H H -5.101 1.132 -0.592 1.00 . A A . 8 TYR H 1 1 6 2026 1 1 8 TYR HA H -6.312 3.573 -1.332 1.00 . A A . 8 TYR HA 1 1 6 2027 1 1 8 TYR HB2 H -7.294 1.249 -0.904 1.00 . A A . 8 TYR HB2 1 1 6 2028 1 1 8 TYR HB3 H -7.360 1.727 0.794 1.00 . A A . 8 TYR HB3 1 1 6 2029 1 1 8 TYR HD1 H -8.707 3.707 1.495 1.00 . A A . 8 TYR HD1 1 1 6 2030 1 1 8 TYR HD2 H -8.804 2.200 -2.527 1.00 . A A . 8 TYR HD2 1 1 6 2031 1 1 8 TYR HE1 H -10.782 4.994 1.062 1.00 . A A . 8 TYR HE1 1 1 6 2032 1 1 8 TYR HE2 H -10.880 3.487 -2.959 1.00 . A A . 8 TYR HE2 1 1 6 2033 1 1 8 TYR HH H -12.471 5.329 -0.370 1.00 . A A . 8 TYR HH 1 1 6 2034 1 1 8 TYR N N -4.985 2.105 -0.575 1.00 . A A . 8 TYR N 1 1 6 2035 1 1 8 TYR O O -5.844 5.122 0.636 1.00 . A A . 8 TYR O 1 1 6 2036 1 1 8 TYR OH O -12.120 5.041 -1.217 1.00 . A A . 8 TYR OH 1 1 6 2037 1 1 9 ASN C C -4.482 4.923 3.163 1.00 . A A . 9 ASN C 1 1 6 2038 1 1 9 ASN CA C -5.829 4.187 3.168 1.00 . A A . 9 ASN CA 1 1 6 2039 1 1 9 ASN CB C -5.890 3.193 4.330 1.00 . A A . 9 ASN CB 1 1 6 2040 1 1 9 ASN CG C -7.065 2.234 4.130 1.00 . A A . 9 ASN CG 1 1 6 2041 1 1 9 ASN H H -6.114 2.397 2.017 1.00 . A A . 9 ASN H 1 1 6 2042 1 1 9 ASN HA H -6.639 4.887 3.248 1.00 . A A . 9 ASN HA 1 1 6 2043 1 1 9 ASN HB2 H -4.968 2.631 4.371 1.00 . A A . 9 ASN HB2 1 1 6 2044 1 1 9 ASN HB3 H -6.024 3.732 5.255 1.00 . A A . 9 ASN HB3 1 1 6 2045 1 1 9 ASN HD21 H -8.368 3.683 3.751 1.00 . A A . 9 ASN HD21 1 1 6 2046 1 1 9 ASN HD22 H -9.001 2.109 3.708 1.00 . A A . 9 ASN HD22 1 1 6 2047 1 1 9 ASN N N -5.992 3.362 1.942 1.00 . A A . 9 ASN N 1 1 6 2048 1 1 9 ASN ND2 N -8.242 2.716 3.839 1.00 . A A . 9 ASN ND2 1 1 6 2049 1 1 9 ASN O O -4.312 5.925 3.829 1.00 . A A . 9 ASN O 1 1 6 2050 1 1 9 ASN OD1 O -6.910 1.033 4.238 1.00 . A A . 9 ASN OD1 1 1 6 2051 1 1 10 CYS C C -2.108 6.071 1.218 1.00 . A A . 10 CYS C 1 1 6 2052 1 1 10 CYS CA C -2.194 5.106 2.398 1.00 . A A . 10 CYS CA 1 1 6 2053 1 1 10 CYS CB C -1.175 3.971 2.246 1.00 . A A . 10 CYS CB 1 1 6 2054 1 1 10 CYS H H -3.658 3.627 1.908 1.00 . A A . 10 CYS H 1 1 6 2055 1 1 10 CYS HA H -2.028 5.621 3.310 1.00 . A A . 10 CYS HA 1 1 6 2056 1 1 10 CYS HB2 H -1.546 3.089 2.746 1.00 . A A . 10 CYS HB2 1 1 6 2057 1 1 10 CYS HB3 H -1.030 3.755 1.198 1.00 . A A . 10 CYS HB3 1 1 6 2058 1 1 10 CYS N N -3.517 4.434 2.429 1.00 . A A . 10 CYS N 1 1 6 2059 1 1 10 CYS O O -2.057 7.274 1.381 1.00 . A A . 10 CYS O 1 1 6 2060 1 1 10 CYS SG S 0.402 4.463 2.988 1.00 . A A . 10 CYS SG 1 1 6 2061 1 1 11 MET C C -3.272 7.213 -1.368 1.00 . A A . 11 MET C 1 1 6 2062 1 1 11 MET CA C -1.992 6.396 -1.174 1.00 . A A . 11 MET CA 1 1 6 2063 1 1 11 MET CB C -1.808 5.392 -2.300 1.00 . A A . 11 MET CB 1 1 6 2064 1 1 11 MET CE C 0.743 6.655 -2.623 1.00 . A A . 11 MET CE 1 1 6 2065 1 1 11 MET CG C -0.655 4.442 -1.948 1.00 . A A . 11 MET CG 1 1 6 2066 1 1 11 MET H H -2.119 4.576 -0.061 1.00 . A A . 11 MET H 1 1 6 2067 1 1 11 MET HA H -1.134 7.035 -1.119 1.00 . A A . 11 MET HA 1 1 6 2068 1 1 11 MET HB2 H -2.718 4.824 -2.424 1.00 . A A . 11 MET HB2 1 1 6 2069 1 1 11 MET HB3 H -1.577 5.914 -3.213 1.00 . A A . 11 MET HB3 1 1 6 2070 1 1 11 MET HE1 H 0.226 6.272 -3.491 1.00 . A A . 11 MET HE1 1 1 6 2071 1 1 11 MET HE2 H 1.755 6.908 -2.892 1.00 . A A . 11 MET HE2 1 1 6 2072 1 1 11 MET HE3 H 0.238 7.535 -2.253 1.00 . A A . 11 MET HE3 1 1 6 2073 1 1 11 MET HG2 H -0.977 3.754 -1.184 1.00 . A A . 11 MET HG2 1 1 6 2074 1 1 11 MET HG3 H -0.365 3.891 -2.825 1.00 . A A . 11 MET HG3 1 1 6 2075 1 1 11 MET N N -2.083 5.544 0.035 1.00 . A A . 11 MET N 1 1 6 2076 1 1 11 MET O O -3.259 8.427 -1.320 1.00 . A A . 11 MET O 1 1 6 2077 1 1 11 MET SD S 0.761 5.389 -1.335 1.00 . A A . 11 MET SD 1 1 6 2078 1 1 12 ASN C C -5.905 8.271 -0.655 1.00 . A A . 12 ASN C 1 1 6 2079 1 1 12 ASN CA C -5.655 7.289 -1.802 1.00 . A A . 12 ASN CA 1 1 6 2080 1 1 12 ASN CB C -6.733 6.204 -1.825 1.00 . A A . 12 ASN CB 1 1 6 2081 1 1 12 ASN CG C -7.890 6.652 -2.720 1.00 . A A . 12 ASN CG 1 1 6 2082 1 1 12 ASN H H -4.354 5.578 -1.633 1.00 . A A . 12 ASN H 1 1 6 2083 1 1 12 ASN HA H -5.641 7.810 -2.743 1.00 . A A . 12 ASN HA 1 1 6 2084 1 1 12 ASN HB2 H -6.310 5.288 -2.213 1.00 . A A . 12 ASN HB2 1 1 6 2085 1 1 12 ASN HB3 H -7.099 6.036 -0.824 1.00 . A A . 12 ASN HB3 1 1 6 2086 1 1 12 ASN HD21 H -9.097 7.058 -1.197 1.00 . A A . 12 ASN HD21 1 1 6 2087 1 1 12 ASN HD22 H -9.753 7.338 -2.738 1.00 . A A . 12 ASN HD22 1 1 6 2088 1 1 12 ASN N N -4.372 6.556 -1.594 1.00 . A A . 12 ASN N 1 1 6 2089 1 1 12 ASN ND2 N -9.006 7.049 -2.173 1.00 . A A . 12 ASN ND2 1 1 6 2090 1 1 12 ASN O O -5.853 9.472 -0.830 1.00 . A A . 12 ASN O 1 1 6 2091 1 1 12 ASN OD1 O -7.776 6.642 -3.929 1.00 . A A . 12 ASN OD1 1 1 6 2092 1 1 13 SER C C -5.464 9.836 1.683 1.00 . A A . 13 SER C 1 1 6 2093 1 1 13 SER CA C -6.446 8.662 1.675 1.00 . A A . 13 SER CA 1 1 6 2094 1 1 13 SER CB C -6.235 7.778 2.903 1.00 . A A . 13 SER CB 1 1 6 2095 1 1 13 SER H H -6.224 6.798 0.625 1.00 . A A . 13 SER H 1 1 6 2096 1 1 13 SER HA H -7.459 9.019 1.651 1.00 . A A . 13 SER HA 1 1 6 2097 1 1 13 SER HB2 H -5.720 6.879 2.615 1.00 . A A . 13 SER HB2 1 1 6 2098 1 1 13 SER HB3 H -5.641 8.314 3.633 1.00 . A A . 13 SER HB3 1 1 6 2099 1 1 13 SER HG H -7.466 7.612 4.400 1.00 . A A . 13 SER HG 1 1 6 2100 1 1 13 SER N N -6.183 7.767 0.513 1.00 . A A . 13 SER N 1 1 6 2101 1 1 13 SER O O -5.772 10.919 1.226 1.00 . A A . 13 SER O 1 1 6 2102 1 1 13 SER OG O -7.499 7.437 3.457 1.00 . A A . 13 SER OG 1 1 6 2103 1 1 14 GLY C C -2.062 10.273 3.041 1.00 . A A . 14 GLY C 1 1 6 2104 1 1 14 GLY CA C -3.290 10.725 2.247 1.00 . A A . 14 GLY CA 1 1 6 2105 1 1 14 GLY H H -4.061 8.761 2.565 1.00 . A A . 14 GLY H 1 1 6 2106 1 1 14 GLY HA2 H -2.996 10.978 1.241 1.00 . A A . 14 GLY HA2 1 1 6 2107 1 1 14 GLY HA3 H -3.729 11.582 2.727 1.00 . A A . 14 GLY HA3 1 1 6 2108 1 1 14 GLY N N -4.287 9.631 2.203 1.00 . A A . 14 GLY N 1 1 6 2109 1 1 14 GLY O O -0.958 10.722 2.805 1.00 . A A . 14 GLY O 1 1 6 2110 1 1 15 GLY C C -0.231 7.960 3.934 1.00 . A A . 15 GLY C 1 1 6 2111 1 1 15 GLY CA C -1.084 8.901 4.785 1.00 . A A . 15 GLY CA 1 1 6 2112 1 1 15 GLY H H -3.138 9.031 4.154 1.00 . A A . 15 GLY H 1 1 6 2113 1 1 15 GLY HA2 H -0.485 9.747 5.098 1.00 . A A . 15 GLY HA2 1 1 6 2114 1 1 15 GLY HA3 H -1.444 8.370 5.653 1.00 . A A . 15 GLY HA3 1 1 6 2115 1 1 15 GLY N N -2.242 9.383 3.980 1.00 . A A . 15 GLY N 1 1 6 2116 1 1 15 GLY O O 0.031 6.835 4.310 1.00 . A A . 15 GLY O 1 1 6 2117 1 1 16 GLY C C 1.852 8.440 0.967 1.00 . A A . 16 GLY C 1 1 6 2118 1 1 16 GLY CA C 1.040 7.557 1.915 1.00 . A A . 16 GLY CA 1 1 6 2119 1 1 16 GLY H H -0.012 9.316 2.513 1.00 . A A . 16 GLY H 1 1 6 2120 1 1 16 GLY HA2 H 1.707 6.979 2.529 1.00 . A A . 16 GLY HA2 1 1 6 2121 1 1 16 GLY HA3 H 0.405 6.899 1.341 1.00 . A A . 16 GLY HA3 1 1 6 2122 1 1 16 GLY N N 0.206 8.413 2.792 1.00 . A A . 16 GLY N 1 1 6 2123 1 1 16 GLY O O 1.447 8.710 -0.146 1.00 . A A . 16 GLY O 1 1 6 2124 1 1 17 LEU C C 4.010 9.158 -0.863 1.00 . A A . 17 LEU C 1 1 6 2125 1 1 17 LEU CA C 3.829 9.774 0.530 1.00 . A A . 17 LEU CA 1 1 6 2126 1 1 17 LEU CB C 5.166 9.922 1.255 1.00 . A A . 17 LEU CB 1 1 6 2127 1 1 17 LEU CD1 C 6.896 8.159 1.200 1.00 . A A . 17 LEU CD1 1 1 6 2128 1 1 17 LEU CD2 C 5.804 8.759 3.364 1.00 . A A . 17 LEU CD2 1 1 6 2129 1 1 17 LEU CG C 5.594 8.590 1.859 1.00 . A A . 17 LEU CG 1 1 6 2130 1 1 17 LEU H H 3.297 8.675 2.306 1.00 . A A . 17 LEU H 1 1 6 2131 1 1 17 LEU HA H 3.376 10.734 0.439 1.00 . A A . 17 LEU HA 1 1 6 2132 1 1 17 LEU HB2 H 5.918 10.254 0.554 1.00 . A A . 17 LEU HB2 1 1 6 2133 1 1 17 LEU HB3 H 5.065 10.653 2.043 1.00 . A A . 17 LEU HB3 1 1 6 2134 1 1 17 LEU HD11 H 6.848 7.107 0.968 1.00 . A A . 17 LEU HD11 1 1 6 2135 1 1 17 LEU HD12 H 7.716 8.348 1.873 1.00 . A A . 17 LEU HD12 1 1 6 2136 1 1 17 LEU HD13 H 7.036 8.724 0.289 1.00 . A A . 17 LEU HD13 1 1 6 2137 1 1 17 LEU HD21 H 5.706 7.801 3.852 1.00 . A A . 17 LEU HD21 1 1 6 2138 1 1 17 LEU HD22 H 5.061 9.440 3.756 1.00 . A A . 17 LEU HD22 1 1 6 2139 1 1 17 LEU HD23 H 6.789 9.158 3.546 1.00 . A A . 17 LEU HD23 1 1 6 2140 1 1 17 LEU HG H 4.838 7.841 1.676 1.00 . A A . 17 LEU HG 1 1 6 2141 1 1 17 LEU N N 2.992 8.900 1.403 1.00 . A A . 17 LEU N 1 1 6 2142 1 1 17 LEU O O 3.536 9.690 -1.847 1.00 . A A . 17 LEU O 1 1 6 2143 1 1 18 SER C C 3.974 6.224 -2.488 1.00 . A A . 18 SER C 1 1 6 2144 1 1 18 SER CA C 4.901 7.427 -2.299 1.00 . A A . 18 SER CA 1 1 6 2145 1 1 18 SER CB C 6.357 6.978 -2.294 1.00 . A A . 18 SER CB 1 1 6 2146 1 1 18 SER H H 5.076 7.639 -0.171 1.00 . A A . 18 SER H 1 1 6 2147 1 1 18 SER HA H 4.745 8.151 -3.083 1.00 . A A . 18 SER HA 1 1 6 2148 1 1 18 SER HB2 H 6.449 6.058 -1.743 1.00 . A A . 18 SER HB2 1 1 6 2149 1 1 18 SER HB3 H 6.681 6.819 -3.308 1.00 . A A . 18 SER HB3 1 1 6 2150 1 1 18 SER HG H 7.261 8.699 -2.305 1.00 . A A . 18 SER HG 1 1 6 2151 1 1 18 SER N N 4.694 8.053 -0.964 1.00 . A A . 18 SER N 1 1 6 2152 1 1 18 SER O O 3.470 5.655 -1.541 1.00 . A A . 18 SER O 1 1 6 2153 1 1 18 SER OG O 7.156 7.979 -1.678 1.00 . A A . 18 SER OG 1 1 6 2154 1 1 19 PHE C C 3.613 3.365 -3.713 1.00 . A A . 19 PHE C 1 1 6 2155 1 1 19 PHE CA C 2.873 4.665 -3.997 1.00 . A A . 19 PHE CA 1 1 6 2156 1 1 19 PHE CB C 2.546 4.789 -5.485 1.00 . A A . 19 PHE CB 1 1 6 2157 1 1 19 PHE CD1 C 0.726 3.058 -5.706 1.00 . A A . 19 PHE CD1 1 1 6 2158 1 1 19 PHE CD2 C 2.841 2.679 -6.828 1.00 . A A . 19 PHE CD2 1 1 6 2159 1 1 19 PHE CE1 C 0.243 1.843 -6.208 1.00 . A A . 19 PHE CE1 1 1 6 2160 1 1 19 PHE CE2 C 2.359 1.463 -7.329 1.00 . A A . 19 PHE CE2 1 1 6 2161 1 1 19 PHE CG C 2.026 3.474 -6.016 1.00 . A A . 19 PHE CG 1 1 6 2162 1 1 19 PHE CZ C 1.060 1.047 -7.020 1.00 . A A . 19 PHE CZ 1 1 6 2163 1 1 19 PHE H H 4.186 6.309 -4.455 1.00 . A A . 19 PHE H 1 1 6 2164 1 1 19 PHE HA H 1.972 4.715 -3.414 1.00 . A A . 19 PHE HA 1 1 6 2165 1 1 19 PHE HB2 H 1.797 5.551 -5.622 1.00 . A A . 19 PHE HB2 1 1 6 2166 1 1 19 PHE HB3 H 3.441 5.064 -6.024 1.00 . A A . 19 PHE HB3 1 1 6 2167 1 1 19 PHE HD1 H 0.097 3.672 -5.079 1.00 . A A . 19 PHE HD1 1 1 6 2168 1 1 19 PHE HD2 H 3.845 3.000 -7.066 1.00 . A A . 19 PHE HD2 1 1 6 2169 1 1 19 PHE HE1 H -0.759 1.521 -5.969 1.00 . A A . 19 PHE HE1 1 1 6 2170 1 1 19 PHE HE2 H 2.990 0.850 -7.956 1.00 . A A . 19 PHE HE2 1 1 6 2171 1 1 19 PHE HZ H 0.687 0.111 -7.408 1.00 . A A . 19 PHE HZ 1 1 6 2172 1 1 19 PHE N N 3.758 5.834 -3.713 1.00 . A A . 19 PHE N 1 1 6 2173 1 1 19 PHE O O 3.297 2.651 -2.782 1.00 . A A . 19 PHE O 1 1 6 2174 1 1 20 ILE C C 5.614 1.615 -2.789 1.00 . A A . 20 ILE C 1 1 6 2175 1 1 20 ILE CA C 5.361 1.799 -4.284 1.00 . A A . 20 ILE CA 1 1 6 2176 1 1 20 ILE CB C 6.676 1.988 -5.038 1.00 . A A . 20 ILE CB 1 1 6 2177 1 1 20 ILE CD1 C 8.691 3.452 -5.202 1.00 . A A . 20 ILE CD1 1 1 6 2178 1 1 20 ILE CG1 C 7.230 3.386 -4.757 1.00 . A A . 20 ILE CG1 1 1 6 2179 1 1 20 ILE CG2 C 6.435 1.826 -6.540 1.00 . A A . 20 ILE CG2 1 1 6 2180 1 1 20 ILE H H 4.826 3.649 -5.252 1.00 . A A . 20 ILE H 1 1 6 2181 1 1 20 ILE HA H 4.821 0.955 -4.679 1.00 . A A . 20 ILE HA 1 1 6 2182 1 1 20 ILE HB H 7.386 1.246 -4.708 1.00 . A A . 20 ILE HB 1 1 6 2183 1 1 20 ILE HD11 H 9.189 2.529 -4.943 1.00 . A A . 20 ILE HD11 1 1 6 2184 1 1 20 ILE HD12 H 9.182 4.277 -4.706 1.00 . A A . 20 ILE HD12 1 1 6 2185 1 1 20 ILE HD13 H 8.736 3.596 -6.272 1.00 . A A . 20 ILE HD13 1 1 6 2186 1 1 20 ILE HG12 H 6.653 4.119 -5.302 1.00 . A A . 20 ILE HG12 1 1 6 2187 1 1 20 ILE HG13 H 7.169 3.592 -3.699 1.00 . A A . 20 ILE HG13 1 1 6 2188 1 1 20 ILE HG21 H 6.949 2.612 -7.075 1.00 . A A . 20 ILE HG21 1 1 6 2189 1 1 20 ILE HG22 H 5.376 1.887 -6.744 1.00 . A A . 20 ILE HG22 1 1 6 2190 1 1 20 ILE HG23 H 6.809 0.866 -6.863 1.00 . A A . 20 ILE HG23 1 1 6 2191 1 1 20 ILE N N 4.595 3.056 -4.509 1.00 . A A . 20 ILE N 1 1 6 2192 1 1 20 ILE O O 5.713 0.508 -2.297 1.00 . A A . 20 ILE O 1 1 6 2193 1 1 21 GLN C C 4.709 1.827 0.011 1.00 . A A . 21 GLN C 1 1 6 2194 1 1 21 GLN CA C 5.900 2.572 -0.592 1.00 . A A . 21 GLN CA 1 1 6 2195 1 1 21 GLN CB C 5.969 4.009 -0.073 1.00 . A A . 21 GLN CB 1 1 6 2196 1 1 21 GLN CD C 8.150 3.483 1.025 1.00 . A A . 21 GLN CD 1 1 6 2197 1 1 21 GLN CG C 7.433 4.429 0.063 1.00 . A A . 21 GLN CG 1 1 6 2198 1 1 21 GLN H H 5.585 3.575 -2.470 1.00 . A A . 21 GLN H 1 1 6 2199 1 1 21 GLN HA H 6.822 2.052 -0.382 1.00 . A A . 21 GLN HA 1 1 6 2200 1 1 21 GLN HB2 H 5.467 4.666 -0.768 1.00 . A A . 21 GLN HB2 1 1 6 2201 1 1 21 GLN HB3 H 5.488 4.068 0.892 1.00 . A A . 21 GLN HB3 1 1 6 2202 1 1 21 GLN HE21 H 9.708 3.218 -0.176 1.00 . A A . 21 GLN HE21 1 1 6 2203 1 1 21 GLN HE22 H 9.776 2.379 1.297 1.00 . A A . 21 GLN HE22 1 1 6 2204 1 1 21 GLN HG2 H 7.911 4.387 -0.906 1.00 . A A . 21 GLN HG2 1 1 6 2205 1 1 21 GLN HG3 H 7.485 5.437 0.447 1.00 . A A . 21 GLN HG3 1 1 6 2206 1 1 21 GLN N N 5.688 2.693 -2.057 1.00 . A A . 21 GLN N 1 1 6 2207 1 1 21 GLN NE2 N 9.308 2.985 0.688 1.00 . A A . 21 GLN NE2 1 1 6 2208 1 1 21 GLN O O 4.813 0.681 0.386 1.00 . A A . 21 GLN O 1 1 6 2209 1 1 21 GLN OE1 O 7.651 3.192 2.094 1.00 . A A . 21 GLN OE1 1 1 6 2210 1 1 22 CYS C C 2.019 0.577 -0.252 1.00 . A A . 22 CYS C 1 1 6 2211 1 1 22 CYS CA C 2.371 1.774 0.630 1.00 . A A . 22 CYS CA 1 1 6 2212 1 1 22 CYS CB C 1.250 2.815 0.585 1.00 . A A . 22 CYS CB 1 1 6 2213 1 1 22 CYS H H 3.499 3.378 -0.248 1.00 . A A . 22 CYS H 1 1 6 2214 1 1 22 CYS HA H 2.548 1.459 1.644 1.00 . A A . 22 CYS HA 1 1 6 2215 1 1 22 CYS HB2 H 1.045 3.074 -0.443 1.00 . A A . 22 CYS HB2 1 1 6 2216 1 1 22 CYS HB3 H 0.361 2.401 1.037 1.00 . A A . 22 CYS HB3 1 1 6 2217 1 1 22 CYS N N 3.570 2.462 0.078 1.00 . A A . 22 CYS N 1 1 6 2218 1 1 22 CYS O O 1.548 -0.437 0.222 1.00 . A A . 22 CYS O 1 1 6 2219 1 1 22 CYS SG S 1.753 4.299 1.491 1.00 . A A . 22 CYS SG 1 1 6 2220 1 1 23 LYS C C 2.518 -1.753 -1.887 1.00 . A A . 23 LYS C 1 1 6 2221 1 1 23 LYS CA C 1.925 -0.451 -2.438 1.00 . A A . 23 LYS CA 1 1 6 2222 1 1 23 LYS CB C 2.576 -0.088 -3.773 1.00 . A A . 23 LYS CB 1 1 6 2223 1 1 23 LYS CD C 1.427 -2.132 -4.609 1.00 . A A . 23 LYS CD 1 1 6 2224 1 1 23 LYS CE C 0.794 -2.787 -5.839 1.00 . A A . 23 LYS CE 1 1 6 2225 1 1 23 LYS CG C 1.746 -0.671 -4.915 1.00 . A A . 23 LYS CG 1 1 6 2226 1 1 23 LYS H H 2.627 1.508 -1.909 1.00 . A A . 23 LYS H 1 1 6 2227 1 1 23 LYS HA H 0.857 -0.542 -2.564 1.00 . A A . 23 LYS HA 1 1 6 2228 1 1 23 LYS HB2 H 2.621 0.987 -3.872 1.00 . A A . 23 LYS HB2 1 1 6 2229 1 1 23 LYS HB3 H 3.574 -0.496 -3.811 1.00 . A A . 23 LYS HB3 1 1 6 2230 1 1 23 LYS HD2 H 2.339 -2.649 -4.349 1.00 . A A . 23 LYS HD2 1 1 6 2231 1 1 23 LYS HD3 H 0.737 -2.180 -3.781 1.00 . A A . 23 LYS HD3 1 1 6 2232 1 1 23 LYS HE2 H 0.338 -3.729 -5.569 1.00 . A A . 23 LYS HE2 1 1 6 2233 1 1 23 LYS HE3 H 0.066 -2.128 -6.284 1.00 . A A . 23 LYS HE3 1 1 6 2234 1 1 23 LYS HG2 H 0.826 -0.113 -5.013 1.00 . A A . 23 LYS HG2 1 1 6 2235 1 1 23 LYS HG3 H 2.304 -0.611 -5.837 1.00 . A A . 23 LYS HG3 1 1 6 2236 1 1 23 LYS HZ1 H 1.997 -2.200 -7.433 1.00 . A A . 23 LYS HZ1 1 1 6 2237 1 1 23 LYS HZ2 H 1.761 -3.879 -7.324 1.00 . A A . 23 LYS HZ2 1 1 6 2238 1 1 23 LYS HZ3 H 2.813 -3.095 -6.246 1.00 . A A . 23 LYS HZ3 1 1 6 2239 1 1 23 LYS N N 2.246 0.684 -1.537 1.00 . A A . 23 LYS N 1 1 6 2240 1 1 23 LYS NZ N 1.927 -3.006 -6.781 1.00 . A A . 23 LYS NZ 1 1 6 2241 1 1 23 LYS O O 2.086 -2.835 -2.231 1.00 . A A . 23 LYS O 1 1 6 2242 1 1 24 THR C C 4.593 -2.694 0.962 1.00 . A A . 24 THR C 1 1 6 2243 1 1 24 THR CA C 4.122 -2.904 -0.483 1.00 . A A . 24 THR CA 1 1 6 2244 1 1 24 THR CB C 5.316 -3.197 -1.393 1.00 . A A . 24 THR CB 1 1 6 2245 1 1 24 THR CG2 C 4.977 -4.364 -2.323 1.00 . A A . 24 THR CG2 1 1 6 2246 1 1 24 THR H H 3.850 -0.782 -0.773 1.00 . A A . 24 THR H 1 1 6 2247 1 1 24 THR HA H 3.420 -3.717 -0.529 1.00 . A A . 24 THR HA 1 1 6 2248 1 1 24 THR HB H 6.172 -3.460 -0.792 1.00 . A A . 24 THR HB 1 1 6 2249 1 1 24 THR HG1 H 6.540 -2.090 -2.424 1.00 . A A . 24 THR HG1 1 1 6 2250 1 1 24 THR HG21 H 4.980 -4.022 -3.347 1.00 . A A . 24 THR HG21 1 1 6 2251 1 1 24 THR HG22 H 3.997 -4.748 -2.075 1.00 . A A . 24 THR HG22 1 1 6 2252 1 1 24 THR HG23 H 5.711 -5.146 -2.201 1.00 . A A . 24 THR HG23 1 1 6 2253 1 1 24 THR N N 3.508 -1.660 -1.037 1.00 . A A . 24 THR N 1 1 6 2254 1 1 24 THR O O 4.548 -3.598 1.771 1.00 . A A . 24 THR O 1 1 6 2255 1 1 24 THR OG1 O 5.616 -2.043 -2.168 1.00 . A A . 24 THR OG1 1 1 6 2256 1 1 25 MET C C 4.398 -1.518 3.676 1.00 . A A . 25 MET C 1 1 6 2257 1 1 25 MET CA C 5.532 -1.276 2.677 1.00 . A A . 25 MET CA 1 1 6 2258 1 1 25 MET CB C 6.002 0.186 2.703 1.00 . A A . 25 MET CB 1 1 6 2259 1 1 25 MET CE C 3.331 2.761 4.488 1.00 . A A . 25 MET CE 1 1 6 2260 1 1 25 MET CG C 4.810 1.125 2.906 1.00 . A A . 25 MET CG 1 1 6 2261 1 1 25 MET H H 5.091 -0.805 0.628 1.00 . A A . 25 MET H 1 1 6 2262 1 1 25 MET HA H 6.359 -1.926 2.891 1.00 . A A . 25 MET HA 1 1 6 2263 1 1 25 MET HB2 H 6.703 0.320 3.513 1.00 . A A . 25 MET HB2 1 1 6 2264 1 1 25 MET HB3 H 6.486 0.422 1.768 1.00 . A A . 25 MET HB3 1 1 6 2265 1 1 25 MET HE1 H 2.757 2.553 3.595 1.00 . A A . 25 MET HE1 1 1 6 2266 1 1 25 MET HE2 H 3.773 3.741 4.408 1.00 . A A . 25 MET HE2 1 1 6 2267 1 1 25 MET HE3 H 2.686 2.728 5.354 1.00 . A A . 25 MET HE3 1 1 6 2268 1 1 25 MET HG2 H 4.971 2.035 2.347 1.00 . A A . 25 MET HG2 1 1 6 2269 1 1 25 MET HG3 H 3.911 0.645 2.556 1.00 . A A . 25 MET HG3 1 1 6 2270 1 1 25 MET N N 5.053 -1.519 1.290 1.00 . A A . 25 MET N 1 1 6 2271 1 1 25 MET O O 4.624 -1.923 4.799 1.00 . A A . 25 MET O 1 1 6 2272 1 1 25 MET SD S 4.638 1.521 4.663 1.00 . A A . 25 MET SD 1 1 6 2273 1 1 26 CYS C C 1.439 -2.897 3.964 1.00 . A A . 26 CYS C 1 1 6 2274 1 1 26 CYS CA C 2.038 -1.510 4.204 1.00 . A A . 26 CYS CA 1 1 6 2275 1 1 26 CYS CB C 1.023 -0.420 3.862 1.00 . A A . 26 CYS CB 1 1 6 2276 1 1 26 CYS H H 3.017 -0.959 2.361 1.00 . A A . 26 CYS H 1 1 6 2277 1 1 26 CYS HA H 2.359 -1.407 5.228 1.00 . A A . 26 CYS HA 1 1 6 2278 1 1 26 CYS HB2 H 1.435 0.548 4.109 1.00 . A A . 26 CYS HB2 1 1 6 2279 1 1 26 CYS HB3 H 0.796 -0.456 2.807 1.00 . A A . 26 CYS HB3 1 1 6 2280 1 1 26 CYS N N 3.181 -1.282 3.275 1.00 . A A . 26 CYS N 1 1 6 2281 1 1 26 CYS O O 0.899 -3.177 2.912 1.00 . A A . 26 CYS O 1 1 6 2282 1 1 26 CYS SG S -0.492 -0.691 4.814 1.00 . A A . 26 CYS SG 1 1 6 2283 1 1 27 TYR C C -0.508 -5.057 4.357 1.00 . A A . 27 TYR C 1 1 6 2284 1 1 27 TYR CA C 0.969 -5.141 4.749 1.00 . A A . 27 TYR CA 1 1 6 2285 1 1 27 TYR CB C 1.125 -5.819 6.110 1.00 . A A . 27 TYR CB 1 1 6 2286 1 1 27 TYR CD1 C 1.963 -8.197 6.144 1.00 . A A . 27 TYR CD1 1 1 6 2287 1 1 27 TYR CD2 C -0.371 -7.791 5.628 1.00 . A A . 27 TYR CD2 1 1 6 2288 1 1 27 TYR CE1 C 1.755 -9.574 6.001 1.00 . A A . 27 TYR CE1 1 1 6 2289 1 1 27 TYR CE2 C -0.580 -9.168 5.485 1.00 . A A . 27 TYR CE2 1 1 6 2290 1 1 27 TYR CG C 0.900 -7.305 5.957 1.00 . A A . 27 TYR CG 1 1 6 2291 1 1 27 TYR CZ C 0.484 -10.060 5.672 1.00 . A A . 27 TYR CZ 1 1 6 2292 1 1 27 TYR H H 1.974 -3.530 5.769 1.00 . A A . 27 TYR H 1 1 6 2293 1 1 27 TYR HA H 1.527 -5.682 4.001 1.00 . A A . 27 TYR HA 1 1 6 2294 1 1 27 TYR HB2 H 2.123 -5.643 6.488 1.00 . A A . 27 TYR HB2 1 1 6 2295 1 1 27 TYR HB3 H 0.398 -5.415 6.799 1.00 . A A . 27 TYR HB3 1 1 6 2296 1 1 27 TYR HD1 H 2.944 -7.822 6.397 1.00 . A A . 27 TYR HD1 1 1 6 2297 1 1 27 TYR HD2 H -1.192 -7.103 5.484 1.00 . A A . 27 TYR HD2 1 1 6 2298 1 1 27 TYR HE1 H 2.574 -10.262 6.146 1.00 . A A . 27 TYR HE1 1 1 6 2299 1 1 27 TYR HE2 H -1.560 -9.542 5.231 1.00 . A A . 27 TYR HE2 1 1 6 2300 1 1 27 TYR HH H 0.724 -11.861 6.257 1.00 . A A . 27 TYR HH 1 1 6 2301 1 1 27 TYR N N 1.533 -3.772 4.929 1.00 . A A . 27 TYR N 1 1 6 2302 1 1 27 TYR O O -0.838 -5.509 3.272 1.00 . A A . 27 TYR O 1 1 6 2303 1 1 27 TYR OXT O -1.282 -4.544 5.146 1.00 . A A . 27 TYR OXT 1 1 6 2304 1 1 27 TYR OH O 0.277 -11.417 5.532 1.00 . A A . 27 TYR OH 1 1 7 2305 1 1 1 GLY C C -4.594 -7.952 3.366 1.00 . A A . 1 GLY C 1 1 7 2306 1 1 1 GLY CA C -5.802 -8.687 2.781 1.00 . A A . 1 GLY CA 1 1 7 2307 1 1 1 GLY H1 H -6.153 -10.236 1.434 1.00 . A A . 1 GLY H1 1 1 7 2308 1 1 1 GLY H2 H -4.673 -10.357 2.259 1.00 . A A . 1 GLY H2 1 1 7 2309 1 1 1 GLY H3 H -4.859 -9.227 1.004 1.00 . A A . 1 GLY H3 1 1 7 2310 1 1 1 GLY HA2 H -6.451 -7.978 2.287 1.00 . A A . 1 GLY HA2 1 1 7 2311 1 1 1 GLY HA3 H -6.341 -9.177 3.577 1.00 . A A . 1 GLY HA3 1 1 7 2312 1 1 1 GLY N N -5.336 -9.704 1.795 1.00 . A A . 1 GLY N 1 1 7 2313 1 1 1 GLY O O -3.738 -8.544 3.992 1.00 . A A . 1 GLY O 1 1 7 2314 1 1 2 GLY C C -3.084 -4.686 2.820 1.00 . A A . 2 GLY C 1 1 7 2315 1 1 2 GLY CA C -3.366 -5.893 3.715 1.00 . A A . 2 GLY CA 1 1 7 2316 1 1 2 GLY H H -5.220 -6.203 2.662 1.00 . A A . 2 GLY H 1 1 7 2317 1 1 2 GLY HA2 H -3.600 -5.556 4.716 1.00 . A A . 2 GLY HA2 1 1 7 2318 1 1 2 GLY HA3 H -2.492 -6.526 3.745 1.00 . A A . 2 GLY HA3 1 1 7 2319 1 1 2 GLY N N -4.519 -6.664 3.169 1.00 . A A . 2 GLY N 1 1 7 2320 1 1 2 GLY O O -3.212 -3.550 3.233 1.00 . A A . 2 GLY O 1 1 7 2321 1 1 3 LEU C C -3.703 -3.086 0.268 1.00 . A A . 3 LEU C 1 1 7 2322 1 1 3 LEU CA C -2.404 -3.788 0.672 1.00 . A A . 3 LEU CA 1 1 7 2323 1 1 3 LEU CB C -1.740 -4.433 -0.546 1.00 . A A . 3 LEU CB 1 1 7 2324 1 1 3 LEU CD1 C -1.194 -6.870 -0.434 1.00 . A A . 3 LEU CD1 1 1 7 2325 1 1 3 LEU CD2 C 0.627 -5.196 -0.786 1.00 . A A . 3 LEU CD2 1 1 7 2326 1 1 3 LEU CG C -0.707 -5.463 -0.084 1.00 . A A . 3 LEU CG 1 1 7 2327 1 1 3 LEU H H -2.600 -5.845 1.284 1.00 . A A . 3 LEU H 1 1 7 2328 1 1 3 LEU HA H -1.727 -3.090 1.135 1.00 . A A . 3 LEU HA 1 1 7 2329 1 1 3 LEU HB2 H -2.491 -4.921 -1.150 1.00 . A A . 3 LEU HB2 1 1 7 2330 1 1 3 LEU HB3 H -1.247 -3.672 -1.132 1.00 . A A . 3 LEU HB3 1 1 7 2331 1 1 3 LEU HD11 H -1.808 -6.828 -1.322 1.00 . A A . 3 LEU HD11 1 1 7 2332 1 1 3 LEU HD12 H -1.774 -7.265 0.387 1.00 . A A . 3 LEU HD12 1 1 7 2333 1 1 3 LEU HD13 H -0.344 -7.511 -0.614 1.00 . A A . 3 LEU HD13 1 1 7 2334 1 1 3 LEU HD21 H 1.350 -4.846 -0.066 1.00 . A A . 3 LEU HD21 1 1 7 2335 1 1 3 LEU HD22 H 0.487 -4.447 -1.551 1.00 . A A . 3 LEU HD22 1 1 7 2336 1 1 3 LEU HD23 H 0.983 -6.111 -1.239 1.00 . A A . 3 LEU HD23 1 1 7 2337 1 1 3 LEU HG H -0.575 -5.384 0.986 1.00 . A A . 3 LEU HG 1 1 7 2338 1 1 3 LEU N N -2.698 -4.921 1.597 1.00 . A A . 3 LEU N 1 1 7 2339 1 1 3 LEU O O -3.727 -1.898 0.015 1.00 . A A . 3 LEU O 1 1 7 2340 1 1 4 GLY C C -6.253 -1.856 0.519 1.00 . A A . 4 GLY C 1 1 7 2341 1 1 4 GLY CA C -6.078 -3.200 -0.186 1.00 . A A . 4 GLY CA 1 1 7 2342 1 1 4 GLY H H -4.736 -4.769 0.408 1.00 . A A . 4 GLY H 1 1 7 2343 1 1 4 GLY HA2 H -6.094 -3.052 -1.254 1.00 . A A . 4 GLY HA2 1 1 7 2344 1 1 4 GLY HA3 H -6.886 -3.859 0.099 1.00 . A A . 4 GLY HA3 1 1 7 2345 1 1 4 GLY N N -4.780 -3.815 0.203 1.00 . A A . 4 GLY N 1 1 7 2346 1 1 4 GLY O O -6.222 -0.809 -0.097 1.00 . A A . 4 GLY O 1 1 7 2347 1 1 5 ARG C C -5.381 0.257 2.511 1.00 . A A . 5 ARG C 1 1 7 2348 1 1 5 ARG CA C -6.641 -0.608 2.563 1.00 . A A . 5 ARG CA 1 1 7 2349 1 1 5 ARG CB C -6.941 -1.046 3.995 1.00 . A A . 5 ARG CB 1 1 7 2350 1 1 5 ARG CD C -9.346 -0.958 3.304 1.00 . A A . 5 ARG CD 1 1 7 2351 1 1 5 ARG CG C -8.281 -1.787 4.029 1.00 . A A . 5 ARG CG 1 1 7 2352 1 1 5 ARG CZ C -9.520 -0.466 0.935 1.00 . A A . 5 ARG CZ 1 1 7 2353 1 1 5 ARG H H -6.477 -2.738 2.276 1.00 . A A . 5 ARG H 1 1 7 2354 1 1 5 ARG HA H -7.477 -0.063 2.167 1.00 . A A . 5 ARG HA 1 1 7 2355 1 1 5 ARG HB2 H -6.156 -1.702 4.343 1.00 . A A . 5 ARG HB2 1 1 7 2356 1 1 5 ARG HB3 H -6.995 -0.178 4.634 1.00 . A A . 5 ARG HB3 1 1 7 2357 1 1 5 ARG HD2 H -10.331 -1.210 3.674 1.00 . A A . 5 ARG HD2 1 1 7 2358 1 1 5 ARG HD3 H -9.153 0.095 3.429 1.00 . A A . 5 ARG HD3 1 1 7 2359 1 1 5 ARG HE H -8.909 -2.230 1.619 1.00 . A A . 5 ARG HE 1 1 7 2360 1 1 5 ARG HG2 H -8.174 -2.745 3.542 1.00 . A A . 5 ARG HG2 1 1 7 2361 1 1 5 ARG HG3 H -8.583 -1.937 5.056 1.00 . A A . 5 ARG HG3 1 1 7 2362 1 1 5 ARG HH11 H -8.317 -1.289 -0.440 1.00 . A A . 5 ARG HH11 1 1 7 2363 1 1 5 ARG HH12 H -9.197 0.111 -0.956 1.00 . A A . 5 ARG HH12 1 1 7 2364 1 1 5 ARG HH21 H -10.784 0.569 2.092 1.00 . A A . 5 ARG HH21 1 1 7 2365 1 1 5 ARG HH22 H -10.604 1.153 0.472 1.00 . A A . 5 ARG HH22 1 1 7 2366 1 1 5 ARG N N -6.448 -1.880 1.806 1.00 . A A . 5 ARG N 1 1 7 2367 1 1 5 ARG NE N -9.219 -1.333 1.866 1.00 . A A . 5 ARG NE 1 1 7 2368 1 1 5 ARG NH1 N -8.970 -0.556 -0.247 1.00 . A A . 5 ARG NH1 1 1 7 2369 1 1 5 ARG NH2 N -10.368 0.495 1.187 1.00 . A A . 5 ARG NH2 1 1 7 2370 1 1 5 ARG O O -5.453 1.453 2.308 1.00 . A A . 5 ARG O 1 1 7 2371 1 1 6 CYS C C -3.041 1.457 1.475 1.00 . A A . 6 CYS C 1 1 7 2372 1 1 6 CYS CA C -2.975 0.476 2.642 1.00 . A A . 6 CYS CA 1 1 7 2373 1 1 6 CYS CB C -1.852 -0.536 2.420 1.00 . A A . 6 CYS CB 1 1 7 2374 1 1 6 CYS H H -4.194 -1.294 2.850 1.00 . A A . 6 CYS H 1 1 7 2375 1 1 6 CYS HA H -2.825 1.001 3.573 1.00 . A A . 6 CYS HA 1 1 7 2376 1 1 6 CYS HB2 H -2.273 -1.476 2.095 1.00 . A A . 6 CYS HB2 1 1 7 2377 1 1 6 CYS HB3 H -1.177 -0.163 1.661 1.00 . A A . 6 CYS HB3 1 1 7 2378 1 1 6 CYS N N -4.231 -0.329 2.690 1.00 . A A . 6 CYS N 1 1 7 2379 1 1 6 CYS O O -3.440 2.594 1.625 1.00 . A A . 6 CYS O 1 1 7 2380 1 1 6 CYS SG S -0.946 -0.778 3.968 1.00 . A A . 6 CYS SG 1 1 7 2381 1 1 7 ILE C C -4.014 2.712 -0.872 1.00 . A A . 7 ILE C 1 1 7 2382 1 1 7 ILE CA C -2.719 1.899 -0.880 1.00 . A A . 7 ILE CA 1 1 7 2383 1 1 7 ILE CB C -2.676 0.926 -2.052 1.00 . A A . 7 ILE CB 1 1 7 2384 1 1 7 ILE CD1 C -1.293 -1.070 -1.479 1.00 . A A . 7 ILE CD1 1 1 7 2385 1 1 7 ILE CG1 C -1.287 0.320 -2.120 1.00 . A A . 7 ILE CG1 1 1 7 2386 1 1 7 ILE CG2 C -2.984 1.655 -3.359 1.00 . A A . 7 ILE CG2 1 1 7 2387 1 1 7 ILE H H -2.360 0.090 0.211 1.00 . A A . 7 ILE H 1 1 7 2388 1 1 7 ILE HA H -1.860 2.550 -0.907 1.00 . A A . 7 ILE HA 1 1 7 2389 1 1 7 ILE HB H -3.393 0.146 -1.894 1.00 . A A . 7 ILE HB 1 1 7 2390 1 1 7 ILE HD11 H -0.953 -0.995 -0.457 1.00 . A A . 7 ILE HD11 1 1 7 2391 1 1 7 ILE HD12 H -0.633 -1.723 -2.032 1.00 . A A . 7 ILE HD12 1 1 7 2392 1 1 7 ILE HD13 H -2.294 -1.471 -1.498 1.00 . A A . 7 ILE HD13 1 1 7 2393 1 1 7 ILE HG12 H -0.981 0.240 -3.147 1.00 . A A . 7 ILE HG12 1 1 7 2394 1 1 7 ILE HG13 H -0.609 0.959 -1.586 1.00 . A A . 7 ILE HG13 1 1 7 2395 1 1 7 ILE HG21 H -2.121 1.609 -4.006 1.00 . A A . 7 ILE HG21 1 1 7 2396 1 1 7 ILE HG22 H -3.222 2.685 -3.149 1.00 . A A . 7 ILE HG22 1 1 7 2397 1 1 7 ILE HG23 H -3.824 1.181 -3.845 1.00 . A A . 7 ILE HG23 1 1 7 2398 1 1 7 ILE N N -2.667 1.015 0.309 1.00 . A A . 7 ILE N 1 1 7 2399 1 1 7 ILE O O -4.003 3.910 -1.060 1.00 . A A . 7 ILE O 1 1 7 2400 1 1 8 TYR C C -6.224 4.125 0.192 1.00 . A A . 8 TYR C 1 1 7 2401 1 1 8 TYR CA C -6.409 2.840 -0.612 1.00 . A A . 8 TYR CA 1 1 7 2402 1 1 8 TYR CB C -7.414 1.919 0.076 1.00 . A A . 8 TYR CB 1 1 7 2403 1 1 8 TYR CD1 C -9.429 3.124 0.996 1.00 . A A . 8 TYR CD1 1 1 7 2404 1 1 8 TYR CD2 C -9.455 2.407 -1.320 1.00 . A A . 8 TYR CD2 1 1 7 2405 1 1 8 TYR CE1 C -10.714 3.661 0.844 1.00 . A A . 8 TYR CE1 1 1 7 2406 1 1 8 TYR CE2 C -10.739 2.943 -1.472 1.00 . A A . 8 TYR CE2 1 1 7 2407 1 1 8 TYR CG C -8.800 2.496 -0.086 1.00 . A A . 8 TYR CG 1 1 7 2408 1 1 8 TYR CZ C -11.368 3.571 -0.390 1.00 . A A . 8 TYR CZ 1 1 7 2409 1 1 8 TYR H H -5.125 1.112 -0.480 1.00 . A A . 8 TYR H 1 1 7 2410 1 1 8 TYR HA H -6.737 3.063 -1.609 1.00 . A A . 8 TYR HA 1 1 7 2411 1 1 8 TYR HB2 H -7.374 0.940 -0.377 1.00 . A A . 8 TYR HB2 1 1 7 2412 1 1 8 TYR HB3 H -7.176 1.843 1.126 1.00 . A A . 8 TYR HB3 1 1 7 2413 1 1 8 TYR HD1 H -8.925 3.194 1.949 1.00 . A A . 8 TYR HD1 1 1 7 2414 1 1 8 TYR HD2 H -8.970 1.922 -2.155 1.00 . A A . 8 TYR HD2 1 1 7 2415 1 1 8 TYR HE1 H -11.199 4.146 1.679 1.00 . A A . 8 TYR HE1 1 1 7 2416 1 1 8 TYR HE2 H -11.245 2.873 -2.424 1.00 . A A . 8 TYR HE2 1 1 7 2417 1 1 8 TYR HH H -12.792 4.229 -1.479 1.00 . A A . 8 TYR HH 1 1 7 2418 1 1 8 TYR N N -5.130 2.079 -0.642 1.00 . A A . 8 TYR N 1 1 7 2419 1 1 8 TYR O O -6.239 5.217 -0.342 1.00 . A A . 8 TYR O 1 1 7 2420 1 1 8 TYR OH O -12.634 4.100 -0.541 1.00 . A A . 8 TYR OH 1 1 7 2421 1 1 9 ASN C C -4.504 5.857 2.009 1.00 . A A . 9 ASN C 1 1 7 2422 1 1 9 ASN CA C -5.851 5.200 2.323 1.00 . A A . 9 ASN CA 1 1 7 2423 1 1 9 ASN CB C -5.872 4.677 3.760 1.00 . A A . 9 ASN CB 1 1 7 2424 1 1 9 ASN CG C -7.037 3.701 3.931 1.00 . A A . 9 ASN CG 1 1 7 2425 1 1 9 ASN H H -6.035 3.116 1.878 1.00 . A A . 9 ASN H 1 1 7 2426 1 1 9 ASN HA H -6.655 5.891 2.172 1.00 . A A . 9 ASN HA 1 1 7 2427 1 1 9 ASN HB2 H -4.942 4.170 3.973 1.00 . A A . 9 ASN HB2 1 1 7 2428 1 1 9 ASN HB3 H -5.995 5.505 4.442 1.00 . A A . 9 ASN HB3 1 1 7 2429 1 1 9 ASN HD21 H -8.426 5.092 3.655 1.00 . A A . 9 ASN HD21 1 1 7 2430 1 1 9 ASN HD22 H -9.014 3.525 3.942 1.00 . A A . 9 ASN HD22 1 1 7 2431 1 1 9 ASN N N -6.044 3.999 1.474 1.00 . A A . 9 ASN N 1 1 7 2432 1 1 9 ASN ND2 N -8.260 4.142 3.835 1.00 . A A . 9 ASN ND2 1 1 7 2433 1 1 9 ASN O O -4.357 7.059 2.084 1.00 . A A . 9 ASN O 1 1 7 2434 1 1 9 ASN OD1 O -6.831 2.525 4.155 1.00 . A A . 9 ASN OD1 1 1 7 2435 1 1 10 CYS C C -2.210 6.390 0.023 1.00 . A A . 10 CYS C 1 1 7 2436 1 1 10 CYS CA C -2.187 5.643 1.358 1.00 . A A . 10 CYS CA 1 1 7 2437 1 1 10 CYS CB C -1.260 4.429 1.282 1.00 . A A . 10 CYS CB 1 1 7 2438 1 1 10 CYS H H -3.652 4.112 1.617 1.00 . A A . 10 CYS H 1 1 7 2439 1 1 10 CYS HA H -1.873 6.290 2.145 1.00 . A A . 10 CYS HA 1 1 7 2440 1 1 10 CYS HB2 H -1.645 3.641 1.910 1.00 . A A . 10 CYS HB2 1 1 7 2441 1 1 10 CYS HB3 H -1.205 4.080 0.263 1.00 . A A . 10 CYS HB3 1 1 7 2442 1 1 10 CYS N N -3.519 5.075 1.666 1.00 . A A . 10 CYS N 1 1 7 2443 1 1 10 CYS O O -2.085 7.598 -0.030 1.00 . A A . 10 CYS O 1 1 7 2444 1 1 10 CYS SG S 0.390 4.891 1.854 1.00 . A A . 10 CYS SG 1 1 7 2445 1 1 11 MET C C -3.483 7.384 -2.478 1.00 . A A . 11 MET C 1 1 7 2446 1 1 11 MET CA C -2.383 6.322 -2.394 1.00 . A A . 11 MET CA 1 1 7 2447 1 1 11 MET CB C -2.658 5.182 -3.364 1.00 . A A . 11 MET CB 1 1 7 2448 1 1 11 MET CE C 0.802 6.056 -3.655 1.00 . A A . 11 MET CE 1 1 7 2449 1 1 11 MET CG C -1.359 4.413 -3.602 1.00 . A A . 11 MET CG 1 1 7 2450 1 1 11 MET H H -2.451 4.704 -0.978 1.00 . A A . 11 MET H 1 1 7 2451 1 1 11 MET HA H -1.426 6.755 -2.614 1.00 . A A . 11 MET HA 1 1 7 2452 1 1 11 MET HB2 H -3.401 4.522 -2.943 1.00 . A A . 11 MET HB2 1 1 7 2453 1 1 11 MET HB3 H -3.015 5.582 -4.299 1.00 . A A . 11 MET HB3 1 1 7 2454 1 1 11 MET HE1 H 0.416 7.012 -3.333 1.00 . A A . 11 MET HE1 1 1 7 2455 1 1 11 MET HE2 H 1.757 6.201 -4.135 1.00 . A A . 11 MET HE2 1 1 7 2456 1 1 11 MET HE3 H 0.926 5.405 -2.800 1.00 . A A . 11 MET HE3 1 1 7 2457 1 1 11 MET HG2 H -0.812 4.333 -2.671 1.00 . A A . 11 MET HG2 1 1 7 2458 1 1 11 MET HG3 H -1.587 3.426 -3.969 1.00 . A A . 11 MET HG3 1 1 7 2459 1 1 11 MET N N -2.360 5.675 -1.051 1.00 . A A . 11 MET N 1 1 7 2460 1 1 11 MET O O -3.210 8.567 -2.524 1.00 . A A . 11 MET O 1 1 7 2461 1 1 11 MET SD S -0.357 5.301 -4.820 1.00 . A A . 11 MET SD 1 1 7 2462 1 1 12 ASN C C -5.566 9.161 -1.698 1.00 . A A . 12 ASN C 1 1 7 2463 1 1 12 ASN CA C -5.833 7.965 -2.608 1.00 . A A . 12 ASN CA 1 1 7 2464 1 1 12 ASN CB C -7.081 7.226 -2.133 1.00 . A A . 12 ASN CB 1 1 7 2465 1 1 12 ASN CG C -7.211 5.900 -2.875 1.00 . A A . 12 ASN CG 1 1 7 2466 1 1 12 ASN H H -4.918 6.012 -2.483 1.00 . A A . 12 ASN H 1 1 7 2467 1 1 12 ASN HA H -5.964 8.289 -3.624 1.00 . A A . 12 ASN HA 1 1 7 2468 1 1 12 ASN HB2 H -7.005 7.040 -1.072 1.00 . A A . 12 ASN HB2 1 1 7 2469 1 1 12 ASN HB3 H -7.951 7.832 -2.330 1.00 . A A . 12 ASN HB3 1 1 7 2470 1 1 12 ASN HD21 H -8.073 4.990 -1.340 1.00 . A A . 12 ASN HD21 1 1 7 2471 1 1 12 ASN HD22 H -7.850 4.033 -2.724 1.00 . A A . 12 ASN HD22 1 1 7 2472 1 1 12 ASN N N -4.721 6.973 -2.512 1.00 . A A . 12 ASN N 1 1 7 2473 1 1 12 ASN ND2 N -7.756 4.889 -2.263 1.00 . A A . 12 ASN ND2 1 1 7 2474 1 1 12 ASN O O -5.340 10.264 -2.152 1.00 . A A . 12 ASN O 1 1 7 2475 1 1 12 ASN OD1 O -6.815 5.783 -4.017 1.00 . A A . 12 ASN OD1 1 1 7 2476 1 1 13 SER C C -5.521 9.591 1.974 1.00 . A A . 13 SER C 1 1 7 2477 1 1 13 SER CA C -5.348 10.064 0.529 1.00 . A A . 13 SER CA 1 1 7 2478 1 1 13 SER CB C -6.398 11.117 0.180 1.00 . A A . 13 SER CB 1 1 7 2479 1 1 13 SER H H -5.779 8.051 -0.075 1.00 . A A . 13 SER H 1 1 7 2480 1 1 13 SER HA H -4.363 10.462 0.379 1.00 . A A . 13 SER HA 1 1 7 2481 1 1 13 SER HB2 H -6.084 11.667 -0.691 1.00 . A A . 13 SER HB2 1 1 7 2482 1 1 13 SER HB3 H -7.341 10.628 -0.024 1.00 . A A . 13 SER HB3 1 1 7 2483 1 1 13 SER HG H -7.145 12.711 1.008 1.00 . A A . 13 SER HG 1 1 7 2484 1 1 13 SER N N -5.595 8.947 -0.415 1.00 . A A . 13 SER N 1 1 7 2485 1 1 13 SER O O -6.623 9.402 2.451 1.00 . A A . 13 SER O 1 1 7 2486 1 1 13 SER OG O -6.541 12.014 1.274 1.00 . A A . 13 SER OG 1 1 7 2487 1 1 14 GLY C C -3.165 9.146 4.758 1.00 . A A . 14 GLY C 1 1 7 2488 1 1 14 GLY CA C -4.521 8.948 4.079 1.00 . A A . 14 GLY CA 1 1 7 2489 1 1 14 GLY H H -3.570 9.561 2.270 1.00 . A A . 14 GLY H 1 1 7 2490 1 1 14 GLY HA2 H -5.267 9.529 4.589 1.00 . A A . 14 GLY HA2 1 1 7 2491 1 1 14 GLY HA3 H -4.785 7.903 4.106 1.00 . A A . 14 GLY HA3 1 1 7 2492 1 1 14 GLY N N -4.437 9.402 2.671 1.00 . A A . 14 GLY N 1 1 7 2493 1 1 14 GLY O O -3.084 9.511 5.915 1.00 . A A . 14 GLY O 1 1 7 2494 1 1 15 GLY C C 0.059 10.082 3.798 1.00 . A A . 15 GLY C 1 1 7 2495 1 1 15 GLY CA C -0.745 9.090 4.641 1.00 . A A . 15 GLY CA 1 1 7 2496 1 1 15 GLY H H -2.189 8.623 3.114 1.00 . A A . 15 GLY H 1 1 7 2497 1 1 15 GLY HA2 H -0.843 9.469 5.650 1.00 . A A . 15 GLY HA2 1 1 7 2498 1 1 15 GLY HA3 H -0.232 8.139 4.660 1.00 . A A . 15 GLY HA3 1 1 7 2499 1 1 15 GLY N N -2.099 8.912 4.045 1.00 . A A . 15 GLY N 1 1 7 2500 1 1 15 GLY O O 1.151 10.473 4.160 1.00 . A A . 15 GLY O 1 1 7 2501 1 1 16 GLY C C 1.734 11.104 1.758 1.00 . A A . 16 GLY C 1 1 7 2502 1 1 16 GLY CA C 0.248 11.464 1.809 1.00 . A A . 16 GLY CA 1 1 7 2503 1 1 16 GLY H H -1.359 10.168 2.410 1.00 . A A . 16 GLY H 1 1 7 2504 1 1 16 GLY HA2 H -0.166 11.429 0.809 1.00 . A A . 16 GLY HA2 1 1 7 2505 1 1 16 GLY HA3 H 0.135 12.458 2.212 1.00 . A A . 16 GLY HA3 1 1 7 2506 1 1 16 GLY N N -0.477 10.494 2.678 1.00 . A A . 16 GLY N 1 1 7 2507 1 1 16 GLY O O 2.558 11.742 2.384 1.00 . A A . 16 GLY O 1 1 7 2508 1 1 17 LEU C C 3.867 9.238 -0.487 1.00 . A A . 17 LEU C 1 1 7 2509 1 1 17 LEU CA C 3.518 9.689 0.940 1.00 . A A . 17 LEU CA 1 1 7 2510 1 1 17 LEU CB C 3.669 8.556 1.949 1.00 . A A . 17 LEU CB 1 1 7 2511 1 1 17 LEU CD1 C 3.064 6.174 1.709 1.00 . A A . 17 LEU CD1 1 1 7 2512 1 1 17 LEU CD2 C 1.595 7.688 3.037 1.00 . A A . 17 LEU CD2 1 1 7 2513 1 1 17 LEU CG C 2.505 7.584 1.810 1.00 . A A . 17 LEU CG 1 1 7 2514 1 1 17 LEU H H 1.407 9.580 0.527 1.00 . A A . 17 LEU H 1 1 7 2515 1 1 17 LEU HA H 4.146 10.503 1.229 1.00 . A A . 17 LEU HA 1 1 7 2516 1 1 17 LEU HB2 H 4.597 8.034 1.766 1.00 . A A . 17 LEU HB2 1 1 7 2517 1 1 17 LEU HB3 H 3.678 8.963 2.949 1.00 . A A . 17 LEU HB3 1 1 7 2518 1 1 17 LEU HD11 H 4.143 6.225 1.654 1.00 . A A . 17 LEU HD11 1 1 7 2519 1 1 17 LEU HD12 H 2.680 5.702 0.819 1.00 . A A . 17 LEU HD12 1 1 7 2520 1 1 17 LEU HD13 H 2.772 5.611 2.579 1.00 . A A . 17 LEU HD13 1 1 7 2521 1 1 17 LEU HD21 H 0.566 7.755 2.717 1.00 . A A . 17 LEU HD21 1 1 7 2522 1 1 17 LEU HD22 H 1.854 8.569 3.604 1.00 . A A . 17 LEU HD22 1 1 7 2523 1 1 17 LEU HD23 H 1.722 6.811 3.655 1.00 . A A . 17 LEU HD23 1 1 7 2524 1 1 17 LEU HG H 1.943 7.816 0.917 1.00 . A A . 17 LEU HG 1 1 7 2525 1 1 17 LEU N N 2.086 10.085 1.023 1.00 . A A . 17 LEU N 1 1 7 2526 1 1 17 LEU O O 3.904 10.038 -1.401 1.00 . A A . 17 LEU O 1 1 7 2527 1 1 18 SER C C 3.673 6.241 -2.405 1.00 . A A . 18 SER C 1 1 7 2528 1 1 18 SER CA C 4.470 7.500 -2.062 1.00 . A A . 18 SER CA 1 1 7 2529 1 1 18 SER CB C 5.964 7.189 -2.008 1.00 . A A . 18 SER CB 1 1 7 2530 1 1 18 SER H H 4.095 7.343 0.047 1.00 . A A . 18 SER H 1 1 7 2531 1 1 18 SER HA H 4.282 8.272 -2.790 1.00 . A A . 18 SER HA 1 1 7 2532 1 1 18 SER HB2 H 6.280 7.109 -0.982 1.00 . A A . 18 SER HB2 1 1 7 2533 1 1 18 SER HB3 H 6.155 6.253 -2.516 1.00 . A A . 18 SER HB3 1 1 7 2534 1 1 18 SER HG H 7.608 8.159 -2.387 1.00 . A A . 18 SER HG 1 1 7 2535 1 1 18 SER N N 4.125 7.975 -0.692 1.00 . A A . 18 SER N 1 1 7 2536 1 1 18 SER O O 2.696 5.914 -1.761 1.00 . A A . 18 SER O 1 1 7 2537 1 1 18 SER OG O 6.685 8.240 -2.639 1.00 . A A . 18 SER OG 1 1 7 2538 1 1 19 PHE C C 4.087 3.064 -3.325 1.00 . A A . 19 PHE C 1 1 7 2539 1 1 19 PHE CA C 3.353 4.304 -3.828 1.00 . A A . 19 PHE CA 1 1 7 2540 1 1 19 PHE CB C 3.361 4.341 -5.355 1.00 . A A . 19 PHE CB 1 1 7 2541 1 1 19 PHE CD1 C 2.777 2.662 -7.138 1.00 . A A . 19 PHE CD1 1 1 7 2542 1 1 19 PHE CD2 C 1.310 2.863 -5.218 1.00 . A A . 19 PHE CD2 1 1 7 2543 1 1 19 PHE CE1 C 1.948 1.666 -7.667 1.00 . A A . 19 PHE CE1 1 1 7 2544 1 1 19 PHE CE2 C 0.481 1.865 -5.748 1.00 . A A . 19 PHE CE2 1 1 7 2545 1 1 19 PHE CG C 2.460 3.262 -5.914 1.00 . A A . 19 PHE CG 1 1 7 2546 1 1 19 PHE CZ C 0.800 1.268 -6.973 1.00 . A A . 19 PHE CZ 1 1 7 2547 1 1 19 PHE H H 4.869 5.833 -3.927 1.00 . A A . 19 PHE H 1 1 7 2548 1 1 19 PHE HA H 2.345 4.321 -3.461 1.00 . A A . 19 PHE HA 1 1 7 2549 1 1 19 PHE HB2 H 3.017 5.307 -5.688 1.00 . A A . 19 PHE HB2 1 1 7 2550 1 1 19 PHE HB3 H 4.370 4.180 -5.708 1.00 . A A . 19 PHE HB3 1 1 7 2551 1 1 19 PHE HD1 H 3.662 2.967 -7.676 1.00 . A A . 19 PHE HD1 1 1 7 2552 1 1 19 PHE HD2 H 1.062 3.319 -4.273 1.00 . A A . 19 PHE HD2 1 1 7 2553 1 1 19 PHE HE1 H 2.194 1.204 -8.612 1.00 . A A . 19 PHE HE1 1 1 7 2554 1 1 19 PHE HE2 H -0.405 1.557 -5.212 1.00 . A A . 19 PHE HE2 1 1 7 2555 1 1 19 PHE HZ H 0.161 0.499 -7.382 1.00 . A A . 19 PHE HZ 1 1 7 2556 1 1 19 PHE N N 4.081 5.540 -3.422 1.00 . A A . 19 PHE N 1 1 7 2557 1 1 19 PHE O O 3.510 2.191 -2.708 1.00 . A A . 19 PHE O 1 1 7 2558 1 1 20 ILE C C 6.111 1.739 -1.593 1.00 . A A . 20 ILE C 1 1 7 2559 1 1 20 ILE CA C 6.137 1.794 -3.119 1.00 . A A . 20 ILE CA 1 1 7 2560 1 1 20 ILE CB C 7.586 1.974 -3.599 1.00 . A A . 20 ILE CB 1 1 7 2561 1 1 20 ILE CD1 C 8.001 4.219 -4.587 1.00 . A A . 20 ILE CD1 1 1 7 2562 1 1 20 ILE CG1 C 7.640 2.768 -4.906 1.00 . A A . 20 ILE CG1 1 1 7 2563 1 1 20 ILE CG2 C 8.216 0.599 -3.827 1.00 . A A . 20 ILE CG2 1 1 7 2564 1 1 20 ILE H H 5.789 3.708 -4.081 1.00 . A A . 20 ILE H 1 1 7 2565 1 1 20 ILE HA H 5.721 0.889 -3.534 1.00 . A A . 20 ILE HA 1 1 7 2566 1 1 20 ILE HB H 8.148 2.498 -2.838 1.00 . A A . 20 ILE HB 1 1 7 2567 1 1 20 ILE HD11 H 8.843 4.523 -5.189 1.00 . A A . 20 ILE HD11 1 1 7 2568 1 1 20 ILE HD12 H 8.258 4.302 -3.540 1.00 . A A . 20 ILE HD12 1 1 7 2569 1 1 20 ILE HD13 H 7.154 4.855 -4.800 1.00 . A A . 20 ILE HD13 1 1 7 2570 1 1 20 ILE HG12 H 8.391 2.342 -5.558 1.00 . A A . 20 ILE HG12 1 1 7 2571 1 1 20 ILE HG13 H 6.677 2.735 -5.393 1.00 . A A . 20 ILE HG13 1 1 7 2572 1 1 20 ILE HG21 H 8.283 0.075 -2.886 1.00 . A A . 20 ILE HG21 1 1 7 2573 1 1 20 ILE HG22 H 9.204 0.720 -4.244 1.00 . A A . 20 ILE HG22 1 1 7 2574 1 1 20 ILE HG23 H 7.602 0.032 -4.512 1.00 . A A . 20 ILE HG23 1 1 7 2575 1 1 20 ILE N N 5.358 2.985 -3.585 1.00 . A A . 20 ILE N 1 1 7 2576 1 1 20 ILE O O 6.374 0.717 -0.992 1.00 . A A . 20 ILE O 1 1 7 2577 1 1 21 GLN C C 4.415 2.331 1.031 1.00 . A A . 21 GLN C 1 1 7 2578 1 1 21 GLN CA C 5.760 2.858 0.524 1.00 . A A . 21 GLN CA 1 1 7 2579 1 1 21 GLN CB C 5.941 4.326 0.902 1.00 . A A . 21 GLN CB 1 1 7 2580 1 1 21 GLN CD C 7.730 6.068 0.855 1.00 . A A . 21 GLN CD 1 1 7 2581 1 1 21 GLN CG C 7.084 4.921 0.080 1.00 . A A . 21 GLN CG 1 1 7 2582 1 1 21 GLN H H 5.594 3.650 -1.470 1.00 . A A . 21 GLN H 1 1 7 2583 1 1 21 GLN HA H 6.572 2.274 0.924 1.00 . A A . 21 GLN HA 1 1 7 2584 1 1 21 GLN HB2 H 5.028 4.866 0.698 1.00 . A A . 21 GLN HB2 1 1 7 2585 1 1 21 GLN HB3 H 6.178 4.402 1.953 1.00 . A A . 21 GLN HB3 1 1 7 2586 1 1 21 GLN HE21 H 9.490 5.161 1.008 1.00 . A A . 21 GLN HE21 1 1 7 2587 1 1 21 GLN HE22 H 9.401 6.697 1.723 1.00 . A A . 21 GLN HE22 1 1 7 2588 1 1 21 GLN HG2 H 7.821 4.155 -0.113 1.00 . A A . 21 GLN HG2 1 1 7 2589 1 1 21 GLN HG3 H 6.696 5.291 -0.857 1.00 . A A . 21 GLN HG3 1 1 7 2590 1 1 21 GLN N N 5.798 2.837 -0.963 1.00 . A A . 21 GLN N 1 1 7 2591 1 1 21 GLN NE2 N 8.977 5.967 1.226 1.00 . A A . 21 GLN NE2 1 1 7 2592 1 1 21 GLN O O 4.069 2.493 2.184 1.00 . A A . 21 GLN O 1 1 7 2593 1 1 21 GLN OE1 O 7.096 7.069 1.126 1.00 . A A . 21 GLN OE1 1 1 7 2594 1 1 22 CYS C C 1.886 0.112 -0.437 1.00 . A A . 22 CYS C 1 1 7 2595 1 1 22 CYS CA C 2.335 1.173 0.573 1.00 . A A . 22 CYS CA 1 1 7 2596 1 1 22 CYS CB C 1.407 2.378 0.529 1.00 . A A . 22 CYS CB 1 1 7 2597 1 1 22 CYS H H 3.946 1.607 -0.748 1.00 . A A . 22 CYS H 1 1 7 2598 1 1 22 CYS HA H 2.374 0.765 1.570 1.00 . A A . 22 CYS HA 1 1 7 2599 1 1 22 CYS HB2 H 1.799 3.107 -0.168 1.00 . A A . 22 CYS HB2 1 1 7 2600 1 1 22 CYS HB3 H 0.432 2.062 0.206 1.00 . A A . 22 CYS HB3 1 1 7 2601 1 1 22 CYS N N 3.654 1.712 0.171 1.00 . A A . 22 CYS N 1 1 7 2602 1 1 22 CYS O O 1.308 -0.896 -0.083 1.00 . A A . 22 CYS O 1 1 7 2603 1 1 22 CYS SG S 1.299 3.118 2.177 1.00 . A A . 22 CYS SG 1 1 7 2604 1 1 23 LYS C C 2.263 -2.044 -2.404 1.00 . A A . 23 LYS C 1 1 7 2605 1 1 23 LYS CA C 1.754 -0.642 -2.745 1.00 . A A . 23 LYS CA 1 1 7 2606 1 1 23 LYS CB C 2.423 -0.135 -4.023 1.00 . A A . 23 LYS CB 1 1 7 2607 1 1 23 LYS CD C 0.775 -1.512 -5.300 1.00 . A A . 23 LYS CD 1 1 7 2608 1 1 23 LYS CE C 0.604 -2.497 -6.458 1.00 . A A . 23 LYS CE 1 1 7 2609 1 1 23 LYS CG C 2.257 -1.172 -5.135 1.00 . A A . 23 LYS CG 1 1 7 2610 1 1 23 LYS H H 2.620 1.161 -1.953 1.00 . A A . 23 LYS H 1 1 7 2611 1 1 23 LYS HA H 0.685 -0.647 -2.869 1.00 . A A . 23 LYS HA 1 1 7 2612 1 1 23 LYS HB2 H 1.963 0.794 -4.324 1.00 . A A . 23 LYS HB2 1 1 7 2613 1 1 23 LYS HB3 H 3.473 0.027 -3.840 1.00 . A A . 23 LYS HB3 1 1 7 2614 1 1 23 LYS HD2 H 0.406 -1.959 -4.388 1.00 . A A . 23 LYS HD2 1 1 7 2615 1 1 23 LYS HD3 H 0.220 -0.611 -5.511 1.00 . A A . 23 LYS HD3 1 1 7 2616 1 1 23 LYS HE2 H 1.236 -2.212 -7.289 1.00 . A A . 23 LYS HE2 1 1 7 2617 1 1 23 LYS HE3 H 0.833 -3.501 -6.136 1.00 . A A . 23 LYS HE3 1 1 7 2618 1 1 23 LYS HG2 H 2.641 -0.772 -6.062 1.00 . A A . 23 LYS HG2 1 1 7 2619 1 1 23 LYS HG3 H 2.802 -2.067 -4.875 1.00 . A A . 23 LYS HG3 1 1 7 2620 1 1 23 LYS HZ1 H -1.397 -2.151 -6.001 1.00 . A A . 23 LYS HZ1 1 1 7 2621 1 1 23 LYS HZ2 H -1.154 -3.314 -7.216 1.00 . A A . 23 LYS HZ2 1 1 7 2622 1 1 23 LYS HZ3 H -0.950 -1.663 -7.563 1.00 . A A . 23 LYS HZ3 1 1 7 2623 1 1 23 LYS N N 2.154 0.339 -1.696 1.00 . A A . 23 LYS N 1 1 7 2624 1 1 23 LYS NZ N -0.833 -2.399 -6.838 1.00 . A A . 23 LYS NZ 1 1 7 2625 1 1 23 LYS O O 1.648 -3.035 -2.745 1.00 . A A . 23 LYS O 1 1 7 2626 1 1 24 THR C C 4.332 -3.561 0.069 1.00 . A A . 24 THR C 1 1 7 2627 1 1 24 THR CA C 3.929 -3.485 -1.407 1.00 . A A . 24 THR CA 1 1 7 2628 1 1 24 THR CB C 5.153 -3.654 -2.307 1.00 . A A . 24 THR CB 1 1 7 2629 1 1 24 THR CG2 C 5.217 -5.094 -2.821 1.00 . A A . 24 THR CG2 1 1 7 2630 1 1 24 THR H H 3.872 -1.331 -1.490 1.00 . A A . 24 THR H 1 1 7 2631 1 1 24 THR HA H 3.203 -4.249 -1.634 1.00 . A A . 24 THR HA 1 1 7 2632 1 1 24 THR HB H 6.047 -3.438 -1.744 1.00 . A A . 24 THR HB 1 1 7 2633 1 1 24 THR HG1 H 5.688 -3.040 -4.074 1.00 . A A . 24 THR HG1 1 1 7 2634 1 1 24 THR HG21 H 6.226 -5.322 -3.131 1.00 . A A . 24 THR HG21 1 1 7 2635 1 1 24 THR HG22 H 4.548 -5.205 -3.662 1.00 . A A . 24 THR HG22 1 1 7 2636 1 1 24 THR HG23 H 4.921 -5.771 -2.033 1.00 . A A . 24 THR HG23 1 1 7 2637 1 1 24 THR N N 3.385 -2.139 -1.748 1.00 . A A . 24 THR N 1 1 7 2638 1 1 24 THR O O 4.370 -4.626 0.652 1.00 . A A . 24 THR O 1 1 7 2639 1 1 24 THR OG1 O 5.056 -2.760 -3.408 1.00 . A A . 24 THR OG1 1 1 7 2640 1 1 25 MET C C 3.964 -3.232 2.924 1.00 . A A . 25 MET C 1 1 7 2641 1 1 25 MET CA C 5.029 -2.489 2.114 1.00 . A A . 25 MET CA 1 1 7 2642 1 1 25 MET CB C 5.133 -1.019 2.542 1.00 . A A . 25 MET CB 1 1 7 2643 1 1 25 MET CE C 2.394 0.496 5.097 1.00 . A A . 25 MET CE 1 1 7 2644 1 1 25 MET CG C 3.761 -0.493 2.971 1.00 . A A . 25 MET CG 1 1 7 2645 1 1 25 MET H H 4.600 -1.598 0.208 1.00 . A A . 25 MET H 1 1 7 2646 1 1 25 MET HA H 5.985 -2.970 2.218 1.00 . A A . 25 MET HA 1 1 7 2647 1 1 25 MET HB2 H 5.822 -0.936 3.370 1.00 . A A . 25 MET HB2 1 1 7 2648 1 1 25 MET HB3 H 5.497 -0.430 1.713 1.00 . A A . 25 MET HB3 1 1 7 2649 1 1 25 MET HE1 H 1.555 0.149 5.684 1.00 . A A . 25 MET HE1 1 1 7 2650 1 1 25 MET HE2 H 2.032 0.937 4.182 1.00 . A A . 25 MET HE2 1 1 7 2651 1 1 25 MET HE3 H 2.949 1.237 5.656 1.00 . A A . 25 MET HE3 1 1 7 2652 1 1 25 MET HG2 H 3.730 0.575 2.844 1.00 . A A . 25 MET HG2 1 1 7 2653 1 1 25 MET HG3 H 2.993 -0.949 2.363 1.00 . A A . 25 MET HG3 1 1 7 2654 1 1 25 MET N N 4.633 -2.450 0.682 1.00 . A A . 25 MET N 1 1 7 2655 1 1 25 MET O O 4.252 -3.871 3.917 1.00 . A A . 25 MET O 1 1 7 2656 1 1 25 MET SD S 3.475 -0.901 4.711 1.00 . A A . 25 MET SD 1 1 7 2657 1 1 26 CYS C C 1.650 -5.340 2.944 1.00 . A A . 26 CYS C 1 1 7 2658 1 1 26 CYS CA C 1.637 -3.838 3.242 1.00 . A A . 26 CYS CA 1 1 7 2659 1 1 26 CYS CB C 0.349 -3.204 2.717 1.00 . A A . 26 CYS CB 1 1 7 2660 1 1 26 CYS H H 2.528 -2.619 1.699 1.00 . A A . 26 CYS H 1 1 7 2661 1 1 26 CYS HA H 1.727 -3.662 4.302 1.00 . A A . 26 CYS HA 1 1 7 2662 1 1 26 CYS HB2 H 0.589 -2.309 2.162 1.00 . A A . 26 CYS HB2 1 1 7 2663 1 1 26 CYS HB3 H -0.157 -3.904 2.069 1.00 . A A . 26 CYS HB3 1 1 7 2664 1 1 26 CYS N N 2.733 -3.145 2.503 1.00 . A A . 26 CYS N 1 1 7 2665 1 1 26 CYS O O 1.623 -5.757 1.803 1.00 . A A . 26 CYS O 1 1 7 2666 1 1 26 CYS SG S -0.727 -2.780 4.108 1.00 . A A . 26 CYS SG 1 1 7 2667 1 1 27 TYR C C 0.319 -8.218 4.099 1.00 . A A . 27 TYR C 1 1 7 2668 1 1 27 TYR CA C 1.686 -7.631 3.735 1.00 . A A . 27 TYR CA 1 1 7 2669 1 1 27 TYR CB C 2.769 -8.173 4.668 1.00 . A A . 27 TYR CB 1 1 7 2670 1 1 27 TYR CD1 C 4.664 -9.748 4.133 1.00 . A A . 27 TYR CD1 1 1 7 2671 1 1 27 TYR CD2 C 2.396 -10.452 3.643 1.00 . A A . 27 TYR CD2 1 1 7 2672 1 1 27 TYR CE1 C 5.148 -10.966 3.641 1.00 . A A . 27 TYR CE1 1 1 7 2673 1 1 27 TYR CE2 C 2.881 -11.670 3.151 1.00 . A A . 27 TYR CE2 1 1 7 2674 1 1 27 TYR CG C 3.289 -9.489 4.134 1.00 . A A . 27 TYR CG 1 1 7 2675 1 1 27 TYR CZ C 4.256 -11.927 3.151 1.00 . A A . 27 TYR CZ 1 1 7 2676 1 1 27 TYR H H 1.696 -5.803 4.874 1.00 . A A . 27 TYR H 1 1 7 2677 1 1 27 TYR HA H 1.933 -7.855 2.710 1.00 . A A . 27 TYR HA 1 1 7 2678 1 1 27 TYR HB2 H 3.583 -7.462 4.723 1.00 . A A . 27 TYR HB2 1 1 7 2679 1 1 27 TYR HB3 H 2.353 -8.323 5.654 1.00 . A A . 27 TYR HB3 1 1 7 2680 1 1 27 TYR HD1 H 5.354 -9.007 4.511 1.00 . A A . 27 TYR HD1 1 1 7 2681 1 1 27 TYR HD2 H 1.335 -10.255 3.643 1.00 . A A . 27 TYR HD2 1 1 7 2682 1 1 27 TYR HE1 H 6.210 -11.165 3.641 1.00 . A A . 27 TYR HE1 1 1 7 2683 1 1 27 TYR HE2 H 2.192 -12.411 2.772 1.00 . A A . 27 TYR HE2 1 1 7 2684 1 1 27 TYR HH H 4.012 -13.571 2.213 1.00 . A A . 27 TYR HH 1 1 7 2685 1 1 27 TYR N N 1.682 -6.157 3.961 1.00 . A A . 27 TYR N 1 1 7 2686 1 1 27 TYR O O -0.440 -8.508 3.189 1.00 . A A . 27 TYR O 1 1 7 2687 1 1 27 TYR OXT O 0.057 -8.368 5.281 1.00 . A A . 27 TYR OXT 1 1 7 2688 1 1 27 TYR OH O 4.733 -13.127 2.666 1.00 . A A . 27 TYR OH 1 1 8 2689 1 1 1 GLY C C -3.840 -7.762 3.682 1.00 . A A . 1 GLY C 1 1 8 2690 1 1 1 GLY CA C -5.268 -8.146 4.073 1.00 . A A . 1 GLY CA 1 1 8 2691 1 1 1 GLY H1 H -5.601 -6.089 4.060 1.00 . A A . 1 GLY H1 1 1 8 2692 1 1 1 GLY H2 H -5.930 -6.834 5.550 1.00 . A A . 1 GLY H2 1 1 8 2693 1 1 1 GLY H3 H -7.009 -7.014 4.249 1.00 . A A . 1 GLY H3 1 1 8 2694 1 1 1 GLY HA2 H -5.242 -8.863 4.880 1.00 . A A . 1 GLY HA2 1 1 8 2695 1 1 1 GLY HA3 H -5.768 -8.579 3.220 1.00 . A A . 1 GLY HA3 1 1 8 2696 1 1 1 GLY N N -6.008 -6.929 4.516 1.00 . A A . 1 GLY N 1 1 8 2697 1 1 1 GLY O O -2.926 -7.840 4.479 1.00 . A A . 1 GLY O 1 1 8 2698 1 1 2 GLY C C -2.325 -5.593 1.332 1.00 . A A . 2 GLY C 1 1 8 2699 1 1 2 GLY CA C -2.271 -6.958 2.020 1.00 . A A . 2 GLY CA 1 1 8 2700 1 1 2 GLY H H -4.392 -7.291 1.834 1.00 . A A . 2 GLY H 1 1 8 2701 1 1 2 GLY HA2 H -1.618 -6.906 2.879 1.00 . A A . 2 GLY HA2 1 1 8 2702 1 1 2 GLY HA3 H -1.894 -7.693 1.324 1.00 . A A . 2 GLY HA3 1 1 8 2703 1 1 2 GLY N N -3.640 -7.348 2.461 1.00 . A A . 2 GLY N 1 1 8 2704 1 1 2 GLY O O -1.799 -4.617 1.829 1.00 . A A . 2 GLY O 1 1 8 2705 1 1 3 LEU C C -4.517 -3.831 -0.737 1.00 . A A . 3 LEU C 1 1 8 2706 1 1 3 LEU CA C -3.049 -4.214 -0.525 1.00 . A A . 3 LEU CA 1 1 8 2707 1 1 3 LEU CB C -2.357 -4.452 -1.867 1.00 . A A . 3 LEU CB 1 1 8 2708 1 1 3 LEU CD1 C -0.432 -5.645 -2.921 1.00 . A A . 3 LEU CD1 1 1 8 2709 1 1 3 LEU CD2 C -0.019 -3.903 -1.181 1.00 . A A . 3 LEU CD2 1 1 8 2710 1 1 3 LEU CG C -0.959 -5.025 -1.627 1.00 . A A . 3 LEU CG 1 1 8 2711 1 1 3 LEU H H -3.376 -6.317 -0.188 1.00 . A A . 3 LEU H 1 1 8 2712 1 1 3 LEU HA H -2.532 -3.444 0.023 1.00 . A A . 3 LEU HA 1 1 8 2713 1 1 3 LEU HB2 H -2.938 -5.151 -2.452 1.00 . A A . 3 LEU HB2 1 1 8 2714 1 1 3 LEU HB3 H -2.274 -3.518 -2.400 1.00 . A A . 3 LEU HB3 1 1 8 2715 1 1 3 LEU HD11 H -1.023 -6.514 -3.172 1.00 . A A . 3 LEU HD11 1 1 8 2716 1 1 3 LEU HD12 H 0.598 -5.939 -2.786 1.00 . A A . 3 LEU HD12 1 1 8 2717 1 1 3 LEU HD13 H -0.498 -4.922 -3.721 1.00 . A A . 3 LEU HD13 1 1 8 2718 1 1 3 LEU HD21 H 0.849 -4.330 -0.702 1.00 . A A . 3 LEU HD21 1 1 8 2719 1 1 3 LEU HD22 H -0.534 -3.257 -0.486 1.00 . A A . 3 LEU HD22 1 1 8 2720 1 1 3 LEU HD23 H 0.290 -3.329 -2.043 1.00 . A A . 3 LEU HD23 1 1 8 2721 1 1 3 LEU HG H -1.009 -5.783 -0.858 1.00 . A A . 3 LEU HG 1 1 8 2722 1 1 3 LEU N N -2.958 -5.517 0.194 1.00 . A A . 3 LEU N 1 1 8 2723 1 1 3 LEU O O -4.826 -2.781 -1.263 1.00 . A A . 3 LEU O 1 1 8 2724 1 1 4 GLY C C -7.209 -3.038 0.125 1.00 . A A . 4 GLY C 1 1 8 2725 1 1 4 GLY CA C -6.865 -4.382 -0.517 1.00 . A A . 4 GLY CA 1 1 8 2726 1 1 4 GLY H H -5.151 -5.524 0.076 1.00 . A A . 4 GLY H 1 1 8 2727 1 1 4 GLY HA2 H -7.084 -4.343 -1.570 1.00 . A A . 4 GLY HA2 1 1 8 2728 1 1 4 GLY HA3 H -7.454 -5.161 -0.054 1.00 . A A . 4 GLY HA3 1 1 8 2729 1 1 4 GLY N N -5.421 -4.682 -0.337 1.00 . A A . 4 GLY N 1 1 8 2730 1 1 4 GLY O O -7.831 -2.191 -0.482 1.00 . A A . 4 GLY O 1 1 8 2731 1 1 5 ARG C C -5.885 -0.699 2.213 1.00 . A A . 5 ARG C 1 1 8 2732 1 1 5 ARG CA C -7.144 -1.553 2.036 1.00 . A A . 5 ARG CA 1 1 8 2733 1 1 5 ARG CB C -7.715 -1.953 3.396 1.00 . A A . 5 ARG CB 1 1 8 2734 1 1 5 ARG CD C -9.460 -0.568 4.530 1.00 . A A . 5 ARG CD 1 1 8 2735 1 1 5 ARG CG C -7.964 -0.698 4.235 1.00 . A A . 5 ARG CG 1 1 8 2736 1 1 5 ARG CZ C -9.587 1.000 2.689 1.00 . A A . 5 ARG CZ 1 1 8 2737 1 1 5 ARG H H -6.331 -3.542 1.829 1.00 . A A . 5 ARG H 1 1 8 2738 1 1 5 ARG HA H -7.886 -1.010 1.475 1.00 . A A . 5 ARG HA 1 1 8 2739 1 1 5 ARG HB2 H -8.645 -2.484 3.254 1.00 . A A . 5 ARG HB2 1 1 8 2740 1 1 5 ARG HB3 H -7.010 -2.591 3.909 1.00 . A A . 5 ARG HB3 1 1 8 2741 1 1 5 ARG HD2 H -10.006 -1.376 4.062 1.00 . A A . 5 ARG HD2 1 1 8 2742 1 1 5 ARG HD3 H -9.635 -0.560 5.595 1.00 . A A . 5 ARG HD3 1 1 8 2743 1 1 5 ARG HE H -10.324 1.405 4.487 1.00 . A A . 5 ARG HE 1 1 8 2744 1 1 5 ARG HG2 H -7.418 -0.773 5.164 1.00 . A A . 5 ARG HG2 1 1 8 2745 1 1 5 ARG HG3 H -7.630 0.171 3.689 1.00 . A A . 5 ARG HG3 1 1 8 2746 1 1 5 ARG HH11 H -10.100 -0.824 2.044 1.00 . A A . 5 ARG HH11 1 1 8 2747 1 1 5 ARG HH12 H -9.550 0.272 0.825 1.00 . A A . 5 ARG HH12 1 1 8 2748 1 1 5 ARG HH21 H -9.004 2.884 3.045 1.00 . A A . 5 ARG HH21 1 1 8 2749 1 1 5 ARG HH22 H -8.937 2.381 1.390 1.00 . A A . 5 ARG HH22 1 1 8 2750 1 1 5 ARG N N -6.823 -2.841 1.354 1.00 . A A . 5 ARG N 1 1 8 2751 1 1 5 ARG NE N -9.857 0.741 3.938 1.00 . A A . 5 ARG NE 1 1 8 2752 1 1 5 ARG NH1 N -9.760 0.078 1.781 1.00 . A A . 5 ARG NH1 1 1 8 2753 1 1 5 ARG NH2 N -9.140 2.180 2.347 1.00 . A A . 5 ARG NH2 1 1 8 2754 1 1 5 ARG O O -5.956 0.511 2.294 1.00 . A A . 5 ARG O 1 1 8 2755 1 1 6 CYS C C -3.487 0.662 1.480 1.00 . A A . 6 CYS C 1 1 8 2756 1 1 6 CYS CA C -3.487 -0.519 2.450 1.00 . A A . 6 CYS CA 1 1 8 2757 1 1 6 CYS CB C -2.353 -1.486 2.116 1.00 . A A . 6 CYS CB 1 1 8 2758 1 1 6 CYS H H -4.693 -2.287 2.209 1.00 . A A . 6 CYS H 1 1 8 2759 1 1 6 CYS HA H -3.395 -0.175 3.467 1.00 . A A . 6 CYS HA 1 1 8 2760 1 1 6 CYS HB2 H -2.652 -2.120 1.297 1.00 . A A . 6 CYS HB2 1 1 8 2761 1 1 6 CYS HB3 H -1.473 -0.926 1.835 1.00 . A A . 6 CYS HB3 1 1 8 2762 1 1 6 CYS N N -4.736 -1.312 2.277 1.00 . A A . 6 CYS N 1 1 8 2763 1 1 6 CYS O O -3.950 1.741 1.797 1.00 . A A . 6 CYS O 1 1 8 2764 1 1 6 CYS SG S -1.983 -2.503 3.566 1.00 . A A . 6 CYS SG 1 1 8 2765 1 1 7 ILE C C -4.275 2.318 -0.699 1.00 . A A . 7 ILE C 1 1 8 2766 1 1 7 ILE CA C -2.948 1.561 -0.698 1.00 . A A . 7 ILE CA 1 1 8 2767 1 1 7 ILE CB C -2.713 0.846 -2.019 1.00 . A A . 7 ILE CB 1 1 8 2768 1 1 7 ILE CD1 C -1.220 -1.118 -1.661 1.00 . A A . 7 ILE CD1 1 1 8 2769 1 1 7 ILE CG1 C -1.278 0.361 -2.044 1.00 . A A . 7 ILE CG1 1 1 8 2770 1 1 7 ILE CG2 C -2.956 1.799 -3.188 1.00 . A A . 7 ILE CG2 1 1 8 2771 1 1 7 ILE H H -2.611 -0.414 0.060 1.00 . A A . 7 ILE H 1 1 8 2772 1 1 7 ILE HA H -2.132 2.235 -0.492 1.00 . A A . 7 ILE HA 1 1 8 2773 1 1 7 ILE HB H -3.371 0.003 -2.092 1.00 . A A . 7 ILE HB 1 1 8 2774 1 1 7 ILE HD11 H -0.445 -1.608 -2.232 1.00 . A A . 7 ILE HD11 1 1 8 2775 1 1 7 ILE HD12 H -2.173 -1.582 -1.874 1.00 . A A . 7 ILE HD12 1 1 8 2776 1 1 7 ILE HD13 H -1.004 -1.210 -0.607 1.00 . A A . 7 ILE HD13 1 1 8 2777 1 1 7 ILE HG12 H -0.876 0.493 -3.029 1.00 . A A . 7 ILE HG12 1 1 8 2778 1 1 7 ILE HG13 H -0.709 0.938 -1.337 1.00 . A A . 7 ILE HG13 1 1 8 2779 1 1 7 ILE HG21 H -3.798 1.449 -3.768 1.00 . A A . 7 ILE HG21 1 1 8 2780 1 1 7 ILE HG22 H -2.077 1.831 -3.815 1.00 . A A . 7 ILE HG22 1 1 8 2781 1 1 7 ILE HG23 H -3.165 2.785 -2.809 1.00 . A A . 7 ILE HG23 1 1 8 2782 1 1 7 ILE N N -2.977 0.463 0.298 1.00 . A A . 7 ILE N 1 1 8 2783 1 1 7 ILE O O -4.304 3.526 -0.687 1.00 . A A . 7 ILE O 1 1 8 2784 1 1 8 TYR C C -6.630 3.450 0.383 1.00 . A A . 8 TYR C 1 1 8 2785 1 1 8 TYR CA C -6.674 2.358 -0.689 1.00 . A A . 8 TYR CA 1 1 8 2786 1 1 8 TYR CB C -7.734 1.301 -0.375 1.00 . A A . 8 TYR CB 1 1 8 2787 1 1 8 TYR CD1 C -9.980 0.850 -1.411 1.00 . A A . 8 TYR CD1 1 1 8 2788 1 1 8 TYR CD2 C -9.446 3.126 -0.769 1.00 . A A . 8 TYR CD2 1 1 8 2789 1 1 8 TYR CE1 C -11.233 1.271 -1.868 1.00 . A A . 8 TYR CE1 1 1 8 2790 1 1 8 TYR CE2 C -10.701 3.548 -1.226 1.00 . A A . 8 TYR CE2 1 1 8 2791 1 1 8 TYR CG C -9.086 1.774 -0.863 1.00 . A A . 8 TYR CG 1 1 8 2792 1 1 8 TYR CZ C -11.594 2.621 -1.776 1.00 . A A . 8 TYR CZ 1 1 8 2793 1 1 8 TYR H H -5.351 0.651 -0.705 1.00 . A A . 8 TYR H 1 1 8 2794 1 1 8 TYR HA H -6.868 2.797 -1.649 1.00 . A A . 8 TYR HA 1 1 8 2795 1 1 8 TYR HB2 H -7.477 0.380 -0.876 1.00 . A A . 8 TYR HB2 1 1 8 2796 1 1 8 TYR HB3 H -7.777 1.127 0.687 1.00 . A A . 8 TYR HB3 1 1 8 2797 1 1 8 TYR HD1 H -9.700 -0.191 -1.480 1.00 . A A . 8 TYR HD1 1 1 8 2798 1 1 8 TYR HD2 H -8.761 3.843 -0.342 1.00 . A A . 8 TYR HD2 1 1 8 2799 1 1 8 TYR HE1 H -11.922 0.556 -2.293 1.00 . A A . 8 TYR HE1 1 1 8 2800 1 1 8 TYR HE2 H -10.980 4.588 -1.154 1.00 . A A . 8 TYR HE2 1 1 8 2801 1 1 8 TYR HH H -13.500 2.636 -1.667 1.00 . A A . 8 TYR HH 1 1 8 2802 1 1 8 TYR N N -5.377 1.631 -0.703 1.00 . A A . 8 TYR N 1 1 8 2803 1 1 8 TYR O O -6.456 4.614 0.084 1.00 . A A . 8 TYR O 1 1 8 2804 1 1 8 TYR OH O -12.830 3.037 -2.226 1.00 . A A . 8 TYR OH 1 1 8 2805 1 1 9 ASN C C -5.441 4.923 2.633 1.00 . A A . 9 ASN C 1 1 8 2806 1 1 9 ASN CA C -6.739 4.109 2.700 1.00 . A A . 9 ASN CA 1 1 8 2807 1 1 9 ASN CB C -6.801 3.293 3.985 1.00 . A A . 9 ASN CB 1 1 8 2808 1 1 9 ASN CG C -7.846 3.894 4.921 1.00 . A A . 9 ASN CG 1 1 8 2809 1 1 9 ASN H H -6.911 2.157 1.851 1.00 . A A . 9 ASN H 1 1 8 2810 1 1 9 ASN HA H -7.594 4.752 2.633 1.00 . A A . 9 ASN HA 1 1 8 2811 1 1 9 ASN HB2 H -7.071 2.273 3.751 1.00 . A A . 9 ASN HB2 1 1 8 2812 1 1 9 ASN HB3 H -5.839 3.307 4.462 1.00 . A A . 9 ASN HB3 1 1 8 2813 1 1 9 ASN HD21 H -8.776 2.167 5.208 1.00 . A A . 9 ASN HD21 1 1 8 2814 1 1 9 ASN HD22 H -9.442 3.495 6.024 1.00 . A A . 9 ASN HD22 1 1 8 2815 1 1 9 ASN N N -6.777 3.092 1.623 1.00 . A A . 9 ASN N 1 1 8 2816 1 1 9 ASN ND2 N -8.764 3.122 5.428 1.00 . A A . 9 ASN ND2 1 1 8 2817 1 1 9 ASN O O -5.415 6.092 2.962 1.00 . A A . 9 ASN O 1 1 8 2818 1 1 9 ASN OD1 O -7.829 5.078 5.193 1.00 . A A . 9 ASN OD1 1 1 8 2819 1 1 10 CYS C C -3.059 5.987 0.932 1.00 . A A . 10 CYS C 1 1 8 2820 1 1 10 CYS CA C -3.074 5.046 2.140 1.00 . A A . 10 CYS CA 1 1 8 2821 1 1 10 CYS CB C -2.007 3.955 1.997 1.00 . A A . 10 CYS CB 1 1 8 2822 1 1 10 CYS H H -4.402 3.374 1.966 1.00 . A A . 10 CYS H 1 1 8 2823 1 1 10 CYS HA H -2.912 5.594 3.040 1.00 . A A . 10 CYS HA 1 1 8 2824 1 1 10 CYS HB2 H -2.244 3.133 2.656 1.00 . A A . 10 CYS HB2 1 1 8 2825 1 1 10 CYS HB3 H -1.985 3.601 0.978 1.00 . A A . 10 CYS HB3 1 1 8 2826 1 1 10 CYS N N -4.364 4.312 2.218 1.00 . A A . 10 CYS N 1 1 8 2827 1 1 10 CYS O O -3.090 7.194 1.068 1.00 . A A . 10 CYS O 1 1 8 2828 1 1 10 CYS SG S -0.385 4.629 2.436 1.00 . A A . 10 CYS SG 1 1 8 2829 1 1 11 MET C C -4.237 7.149 -1.572 1.00 . A A . 11 MET C 1 1 8 2830 1 1 11 MET CA C -2.982 6.276 -1.475 1.00 . A A . 11 MET CA 1 1 8 2831 1 1 11 MET CB C -2.954 5.273 -2.619 1.00 . A A . 11 MET CB 1 1 8 2832 1 1 11 MET CE C 0.253 6.638 -2.208 1.00 . A A . 11 MET CE 1 1 8 2833 1 1 11 MET CG C -1.555 4.668 -2.732 1.00 . A A . 11 MET CG 1 1 8 2834 1 1 11 MET H H -2.979 4.463 -0.321 1.00 . A A . 11 MET H 1 1 8 2835 1 1 11 MET HA H -2.094 6.878 -1.505 1.00 . A A . 11 MET HA 1 1 8 2836 1 1 11 MET HB2 H -3.674 4.494 -2.425 1.00 . A A . 11 MET HB2 1 1 8 2837 1 1 11 MET HB3 H -3.205 5.774 -3.540 1.00 . A A . 11 MET HB3 1 1 8 2838 1 1 11 MET HE1 H -0.371 7.473 -1.916 1.00 . A A . 11 MET HE1 1 1 8 2839 1 1 11 MET HE2 H 1.235 7.000 -2.466 1.00 . A A . 11 MET HE2 1 1 8 2840 1 1 11 MET HE3 H 0.333 5.937 -1.389 1.00 . A A . 11 MET HE3 1 1 8 2841 1 1 11 MET HG2 H -1.151 4.491 -1.743 1.00 . A A . 11 MET HG2 1 1 8 2842 1 1 11 MET HG3 H -1.616 3.736 -3.265 1.00 . A A . 11 MET HG3 1 1 8 2843 1 1 11 MET N N -3.006 5.438 -0.244 1.00 . A A . 11 MET N 1 1 8 2844 1 1 11 MET O O -4.212 8.214 -2.156 1.00 . A A . 11 MET O 1 1 8 2845 1 1 11 MET SD S -0.482 5.811 -3.640 1.00 . A A . 11 MET SD 1 1 8 2846 1 1 12 ASN C C -6.323 8.990 -0.998 1.00 . A A . 12 ASN C 1 1 8 2847 1 1 12 ASN CA C -6.606 7.487 -1.094 1.00 . A A . 12 ASN CA 1 1 8 2848 1 1 12 ASN CB C -7.438 7.015 0.105 1.00 . A A . 12 ASN CB 1 1 8 2849 1 1 12 ASN CG C -8.519 8.051 0.427 1.00 . A A . 12 ASN CG 1 1 8 2850 1 1 12 ASN H H -5.330 5.823 -0.574 1.00 . A A . 12 ASN H 1 1 8 2851 1 1 12 ASN HA H -7.130 7.265 -2.009 1.00 . A A . 12 ASN HA 1 1 8 2852 1 1 12 ASN HB2 H -7.908 6.074 -0.134 1.00 . A A . 12 ASN HB2 1 1 8 2853 1 1 12 ASN HB3 H -6.794 6.890 0.962 1.00 . A A . 12 ASN HB3 1 1 8 2854 1 1 12 ASN HD21 H -7.866 8.368 2.275 1.00 . A A . 12 ASN HD21 1 1 8 2855 1 1 12 ASN HD22 H -9.227 9.273 1.822 1.00 . A A . 12 ASN HD22 1 1 8 2856 1 1 12 ASN N N -5.336 6.695 -1.022 1.00 . A A . 12 ASN N 1 1 8 2857 1 1 12 ASN ND2 N -8.539 8.611 1.606 1.00 . A A . 12 ASN ND2 1 1 8 2858 1 1 12 ASN O O -7.044 9.801 -1.545 1.00 . A A . 12 ASN O 1 1 8 2859 1 1 12 ASN OD1 O -9.354 8.353 -0.402 1.00 . A A . 12 ASN OD1 1 1 8 2860 1 1 13 SER C C -3.856 11.043 0.843 1.00 . A A . 13 SER C 1 1 8 2861 1 1 13 SER CA C -4.958 10.820 -0.195 1.00 . A A . 13 SER CA 1 1 8 2862 1 1 13 SER CB C -6.258 11.488 0.252 1.00 . A A . 13 SER CB 1 1 8 2863 1 1 13 SER H H -4.707 8.708 0.115 1.00 . A A . 13 SER H 1 1 8 2864 1 1 13 SER HA H -4.655 11.209 -1.151 1.00 . A A . 13 SER HA 1 1 8 2865 1 1 13 SER HB2 H -6.863 11.718 -0.608 1.00 . A A . 13 SER HB2 1 1 8 2866 1 1 13 SER HB3 H -6.802 10.814 0.901 1.00 . A A . 13 SER HB3 1 1 8 2867 1 1 13 SER HG H -6.778 13.156 1.109 1.00 . A A . 13 SER HG 1 1 8 2868 1 1 13 SER N N -5.280 9.372 -0.314 1.00 . A A . 13 SER N 1 1 8 2869 1 1 13 SER O O -4.115 11.141 2.026 1.00 . A A . 13 SER O 1 1 8 2870 1 1 13 SER OG O -5.953 12.691 0.945 1.00 . A A . 13 SER OG 1 1 8 2871 1 1 14 GLY C C -0.602 10.121 1.357 1.00 . A A . 14 GLY C 1 1 8 2872 1 1 14 GLY CA C -1.514 11.343 1.358 1.00 . A A . 14 GLY CA 1 1 8 2873 1 1 14 GLY H H -2.440 11.046 -0.538 1.00 . A A . 14 GLY H 1 1 8 2874 1 1 14 GLY HA2 H -0.952 12.218 1.061 1.00 . A A . 14 GLY HA2 1 1 8 2875 1 1 14 GLY HA3 H -1.919 11.487 2.338 1.00 . A A . 14 GLY HA3 1 1 8 2876 1 1 14 GLY N N -2.628 11.127 0.409 1.00 . A A . 14 GLY N 1 1 8 2877 1 1 14 GLY O O 0.605 10.233 1.433 1.00 . A A . 14 GLY O 1 1 8 2878 1 1 15 GLY C C 0.764 7.825 2.293 1.00 . A A . 15 GLY C 1 1 8 2879 1 1 15 GLY CA C -0.352 7.715 1.255 1.00 . A A . 15 GLY CA 1 1 8 2880 1 1 15 GLY H H -2.148 8.893 1.202 1.00 . A A . 15 GLY H 1 1 8 2881 1 1 15 GLY HA2 H -0.978 6.867 1.489 1.00 . A A . 15 GLY HA2 1 1 8 2882 1 1 15 GLY HA3 H 0.084 7.585 0.276 1.00 . A A . 15 GLY HA3 1 1 8 2883 1 1 15 GLY N N -1.173 8.953 1.266 1.00 . A A . 15 GLY N 1 1 8 2884 1 1 15 GLY O O 1.809 7.218 2.161 1.00 . A A . 15 GLY O 1 1 8 2885 1 1 16 GLY C C 2.772 9.561 3.815 1.00 . A A . 16 GLY C 1 1 8 2886 1 1 16 GLY CA C 1.601 8.746 4.369 1.00 . A A . 16 GLY CA 1 1 8 2887 1 1 16 GLY H H -0.285 9.071 3.416 1.00 . A A . 16 GLY H 1 1 8 2888 1 1 16 GLY HA2 H 1.181 9.254 5.228 1.00 . A A . 16 GLY HA2 1 1 8 2889 1 1 16 GLY HA3 H 1.948 7.772 4.660 1.00 . A A . 16 GLY HA3 1 1 8 2890 1 1 16 GLY N N 0.556 8.596 3.326 1.00 . A A . 16 GLY N 1 1 8 2891 1 1 16 GLY O O 3.170 10.558 4.384 1.00 . A A . 16 GLY O 1 1 8 2892 1 1 17 LEU C C 4.695 9.539 0.649 1.00 . A A . 17 LEU C 1 1 8 2893 1 1 17 LEU CA C 4.475 9.901 2.125 1.00 . A A . 17 LEU CA 1 1 8 2894 1 1 17 LEU CB C 5.678 9.505 2.969 1.00 . A A . 17 LEU CB 1 1 8 2895 1 1 17 LEU CD1 C 7.414 7.841 2.388 1.00 . A A . 17 LEU CD1 1 1 8 2896 1 1 17 LEU CD2 C 5.683 7.300 4.108 1.00 . A A . 17 LEU CD2 1 1 8 2897 1 1 17 LEU CG C 5.956 8.022 2.791 1.00 . A A . 17 LEU CG 1 1 8 2898 1 1 17 LEU H H 2.995 8.341 2.270 1.00 . A A . 17 LEU H 1 1 8 2899 1 1 17 LEU HA H 4.312 10.952 2.223 1.00 . A A . 17 LEU HA 1 1 8 2900 1 1 17 LEU HB2 H 6.542 10.074 2.656 1.00 . A A . 17 LEU HB2 1 1 8 2901 1 1 17 LEU HB3 H 5.471 9.707 4.009 1.00 . A A . 17 LEU HB3 1 1 8 2902 1 1 17 LEU HD11 H 7.864 8.811 2.236 1.00 . A A . 17 LEU HD11 1 1 8 2903 1 1 17 LEU HD12 H 7.465 7.272 1.473 1.00 . A A . 17 LEU HD12 1 1 8 2904 1 1 17 LEU HD13 H 7.940 7.318 3.171 1.00 . A A . 17 LEU HD13 1 1 8 2905 1 1 17 LEU HD21 H 4.863 6.611 3.975 1.00 . A A . 17 LEU HD21 1 1 8 2906 1 1 17 LEU HD22 H 5.425 8.026 4.866 1.00 . A A . 17 LEU HD22 1 1 8 2907 1 1 17 LEU HD23 H 6.566 6.759 4.411 1.00 . A A . 17 LEU HD23 1 1 8 2908 1 1 17 LEU HG H 5.318 7.623 2.019 1.00 . A A . 17 LEU HG 1 1 8 2909 1 1 17 LEU N N 3.329 9.146 2.710 1.00 . A A . 17 LEU N 1 1 8 2910 1 1 17 LEU O O 5.214 10.329 -0.115 1.00 . A A . 17 LEU O 1 1 8 2911 1 1 18 SER C C 3.527 6.880 -1.596 1.00 . A A . 18 SER C 1 1 8 2912 1 1 18 SER CA C 4.513 7.974 -1.191 1.00 . A A . 18 SER CA 1 1 8 2913 1 1 18 SER CB C 5.941 7.444 -1.260 1.00 . A A . 18 SER CB 1 1 8 2914 1 1 18 SER H H 3.900 7.729 0.852 1.00 . A A . 18 SER H 1 1 8 2915 1 1 18 SER HA H 4.410 8.829 -1.836 1.00 . A A . 18 SER HA 1 1 8 2916 1 1 18 SER HB2 H 6.320 7.300 -0.264 1.00 . A A . 18 SER HB2 1 1 8 2917 1 1 18 SER HB3 H 5.945 6.497 -1.781 1.00 . A A . 18 SER HB3 1 1 8 2918 1 1 18 SER HG H 7.617 7.974 -2.094 1.00 . A A . 18 SER HG 1 1 8 2919 1 1 18 SER N N 4.313 8.360 0.233 1.00 . A A . 18 SER N 1 1 8 2920 1 1 18 SER O O 2.574 6.591 -0.900 1.00 . A A . 18 SER O 1 1 8 2921 1 1 18 SER OG O 6.761 8.382 -1.943 1.00 . A A . 18 SER OG 1 1 8 2922 1 1 19 PHE C C 3.612 3.861 -3.171 1.00 . A A . 19 PHE C 1 1 8 2923 1 1 19 PHE CA C 2.862 5.180 -3.196 1.00 . A A . 19 PHE CA 1 1 8 2924 1 1 19 PHE CB C 2.511 5.562 -4.631 1.00 . A A . 19 PHE CB 1 1 8 2925 1 1 19 PHE CD1 C 1.917 4.261 -6.706 1.00 . A A . 19 PHE CD1 1 1 8 2926 1 1 19 PHE CD2 C 1.105 3.469 -4.563 1.00 . A A . 19 PHE CD2 1 1 8 2927 1 1 19 PHE CE1 C 1.285 3.188 -7.343 1.00 . A A . 19 PHE CE1 1 1 8 2928 1 1 19 PHE CE2 C 0.471 2.395 -5.201 1.00 . A A . 19 PHE CE2 1 1 8 2929 1 1 19 PHE CG C 1.828 4.402 -5.316 1.00 . A A . 19 PHE CG 1 1 8 2930 1 1 19 PHE CZ C 0.562 2.254 -6.591 1.00 . A A . 19 PHE CZ 1 1 8 2931 1 1 19 PHE H H 4.546 6.522 -3.251 1.00 . A A . 19 PHE H 1 1 8 2932 1 1 19 PHE HA H 1.974 5.121 -2.592 1.00 . A A . 19 PHE HA 1 1 8 2933 1 1 19 PHE HB2 H 1.852 6.414 -4.622 1.00 . A A . 19 PHE HB2 1 1 8 2934 1 1 19 PHE HB3 H 3.414 5.812 -5.166 1.00 . A A . 19 PHE HB3 1 1 8 2935 1 1 19 PHE HD1 H 2.476 4.981 -7.285 1.00 . A A . 19 PHE HD1 1 1 8 2936 1 1 19 PHE HD2 H 1.034 3.577 -3.491 1.00 . A A . 19 PHE HD2 1 1 8 2937 1 1 19 PHE HE1 H 1.356 3.080 -8.415 1.00 . A A . 19 PHE HE1 1 1 8 2938 1 1 19 PHE HE2 H -0.087 1.675 -4.620 1.00 . A A . 19 PHE HE2 1 1 8 2939 1 1 19 PHE HZ H 0.073 1.427 -7.083 1.00 . A A . 19 PHE HZ 1 1 8 2940 1 1 19 PHE N N 3.763 6.268 -2.719 1.00 . A A . 19 PHE N 1 1 8 2941 1 1 19 PHE O O 3.233 2.927 -2.493 1.00 . A A . 19 PHE O 1 1 8 2942 1 1 20 ILE C C 5.624 2.037 -2.479 1.00 . A A . 20 ILE C 1 1 8 2943 1 1 20 ILE CA C 5.478 2.521 -3.916 1.00 . A A . 20 ILE CA 1 1 8 2944 1 1 20 ILE CB C 6.862 2.852 -4.495 1.00 . A A . 20 ILE CB 1 1 8 2945 1 1 20 ILE CD1 C 7.091 5.281 -4.988 1.00 . A A . 20 ILE CD1 1 1 8 2946 1 1 20 ILE CG1 C 6.755 3.916 -5.589 1.00 . A A . 20 ILE CG1 1 1 8 2947 1 1 20 ILE CG2 C 7.475 1.584 -5.090 1.00 . A A . 20 ILE CG2 1 1 8 2948 1 1 20 ILE H H 4.955 4.563 -4.429 1.00 . A A . 20 ILE H 1 1 8 2949 1 1 20 ILE HA H 4.985 1.773 -4.515 1.00 . A A . 20 ILE HA 1 1 8 2950 1 1 20 ILE HB H 7.500 3.215 -3.702 1.00 . A A . 20 ILE HB 1 1 8 2951 1 1 20 ILE HD11 H 6.357 6.005 -5.306 1.00 . A A . 20 ILE HD11 1 1 8 2952 1 1 20 ILE HD12 H 8.071 5.589 -5.321 1.00 . A A . 20 ILE HD12 1 1 8 2953 1 1 20 ILE HD13 H 7.083 5.210 -3.909 1.00 . A A . 20 ILE HD13 1 1 8 2954 1 1 20 ILE HG12 H 7.450 3.686 -6.384 1.00 . A A . 20 ILE HG12 1 1 8 2955 1 1 20 ILE HG13 H 5.749 3.933 -5.982 1.00 . A A . 20 ILE HG13 1 1 8 2956 1 1 20 ILE HG21 H 7.672 1.738 -6.141 1.00 . A A . 20 ILE HG21 1 1 8 2957 1 1 20 ILE HG22 H 6.786 0.760 -4.970 1.00 . A A . 20 ILE HG22 1 1 8 2958 1 1 20 ILE HG23 H 8.399 1.358 -4.579 1.00 . A A . 20 ILE HG23 1 1 8 2959 1 1 20 ILE N N 4.683 3.787 -3.903 1.00 . A A . 20 ILE N 1 1 8 2960 1 1 20 ILE O O 5.718 0.856 -2.211 1.00 . A A . 20 ILE O 1 1 8 2961 1 1 21 GLN C C 4.541 1.686 0.244 1.00 . A A . 21 GLN C 1 1 8 2962 1 1 21 GLN CA C 5.744 2.554 -0.125 1.00 . A A . 21 GLN CA 1 1 8 2963 1 1 21 GLN CB C 5.729 3.864 0.663 1.00 . A A . 21 GLN CB 1 1 8 2964 1 1 21 GLN CD C 8.028 3.878 1.646 1.00 . A A . 21 GLN CD 1 1 8 2965 1 1 21 GLN CG C 7.113 4.515 0.599 1.00 . A A . 21 GLN CG 1 1 8 2966 1 1 21 GLN H H 5.535 3.902 -1.788 1.00 . A A . 21 GLN H 1 1 8 2967 1 1 21 GLN HA H 6.668 2.025 0.042 1.00 . A A . 21 GLN HA 1 1 8 2968 1 1 21 GLN HB2 H 4.996 4.533 0.236 1.00 . A A . 21 GLN HB2 1 1 8 2969 1 1 21 GLN HB3 H 5.476 3.663 1.693 1.00 . A A . 21 GLN HB3 1 1 8 2970 1 1 21 GLN HE21 H 9.506 3.554 0.360 1.00 . A A . 21 GLN HE21 1 1 8 2971 1 1 21 GLN HE22 H 9.805 3.048 1.951 1.00 . A A . 21 GLN HE22 1 1 8 2972 1 1 21 GLN HG2 H 7.534 4.368 -0.385 1.00 . A A . 21 GLN HG2 1 1 8 2973 1 1 21 GLN HG3 H 7.023 5.572 0.800 1.00 . A A . 21 GLN HG3 1 1 8 2974 1 1 21 GLN N N 5.626 2.953 -1.548 1.00 . A A . 21 GLN N 1 1 8 2975 1 1 21 GLN NE2 N 9.211 3.459 1.290 1.00 . A A . 21 GLN NE2 1 1 8 2976 1 1 21 GLN O O 4.651 0.487 0.396 1.00 . A A . 21 GLN O 1 1 8 2977 1 1 21 GLN OE1 O 7.664 3.761 2.799 1.00 . A A . 21 GLN OE1 1 1 8 2978 1 1 22 CYS C C 1.888 0.492 -0.424 1.00 . A A . 22 CYS C 1 1 8 2979 1 1 22 CYS CA C 2.172 1.491 0.697 1.00 . A A . 22 CYS CA 1 1 8 2980 1 1 22 CYS CB C 1.040 2.516 0.801 1.00 . A A . 22 CYS CB 1 1 8 2981 1 1 22 CYS H H 3.317 3.247 0.219 1.00 . A A . 22 CYS H 1 1 8 2982 1 1 22 CYS HA H 2.299 0.979 1.636 1.00 . A A . 22 CYS HA 1 1 8 2983 1 1 22 CYS HB2 H 1.286 3.384 0.206 1.00 . A A . 22 CYS HB2 1 1 8 2984 1 1 22 CYS HB3 H 0.122 2.076 0.434 1.00 . A A . 22 CYS HB3 1 1 8 2985 1 1 22 CYS N N 3.387 2.282 0.364 1.00 . A A . 22 CYS N 1 1 8 2986 1 1 22 CYS O O 1.367 -0.581 -0.195 1.00 . A A . 22 CYS O 1 1 8 2987 1 1 22 CYS SG S 0.824 3.011 2.528 1.00 . A A . 22 CYS SG 1 1 8 2988 1 1 23 LYS C C 2.464 -1.514 -2.391 1.00 . A A . 23 LYS C 1 1 8 2989 1 1 23 LYS CA C 1.983 -0.109 -2.766 1.00 . A A . 23 LYS CA 1 1 8 2990 1 1 23 LYS CB C 2.801 0.446 -3.933 1.00 . A A . 23 LYS CB 1 1 8 2991 1 1 23 LYS CD C 1.286 -0.813 -5.474 1.00 . A A . 23 LYS CD 1 1 8 2992 1 1 23 LYS CE C 1.192 -1.190 -6.955 1.00 . A A . 23 LYS CE 1 1 8 2993 1 1 23 LYS CG C 2.745 -0.533 -5.108 1.00 . A A . 23 LYS CG 1 1 8 2994 1 1 23 LYS H H 2.657 1.703 -1.809 1.00 . A A . 23 LYS H 1 1 8 2995 1 1 23 LYS HA H 0.935 -0.122 -3.023 1.00 . A A . 23 LYS HA 1 1 8 2996 1 1 23 LYS HB2 H 2.393 1.398 -4.237 1.00 . A A . 23 LYS HB2 1 1 8 2997 1 1 23 LYS HB3 H 3.828 0.575 -3.623 1.00 . A A . 23 LYS HB3 1 1 8 2998 1 1 23 LYS HD2 H 0.915 -1.628 -4.870 1.00 . A A . 23 LYS HD2 1 1 8 2999 1 1 23 LYS HD3 H 0.692 0.069 -5.291 1.00 . A A . 23 LYS HD3 1 1 8 3000 1 1 23 LYS HE2 H 1.438 -0.338 -7.574 1.00 . A A . 23 LYS HE2 1 1 8 3001 1 1 23 LYS HE3 H 1.847 -2.019 -7.175 1.00 . A A . 23 LYS HE3 1 1 8 3002 1 1 23 LYS HG2 H 3.255 -0.103 -5.960 1.00 . A A . 23 LYS HG2 1 1 8 3003 1 1 23 LYS HG3 H 3.228 -1.457 -4.830 1.00 . A A . 23 LYS HG3 1 1 8 3004 1 1 23 LYS HZ1 H -0.586 -2.052 -6.299 1.00 . A A . 23 LYS HZ1 1 1 8 3005 1 1 23 LYS HZ2 H -0.286 -2.258 -7.959 1.00 . A A . 23 LYS HZ2 1 1 8 3006 1 1 23 LYS HZ3 H -0.801 -0.750 -7.366 1.00 . A A . 23 LYS HZ3 1 1 8 3007 1 1 23 LYS N N 2.232 0.832 -1.639 1.00 . A A . 23 LYS N 1 1 8 3008 1 1 23 LYS NZ N -0.227 -1.593 -7.160 1.00 . A A . 23 LYS NZ 1 1 8 3009 1 1 23 LYS O O 2.017 -2.499 -2.943 1.00 . A A . 23 LYS O 1 1 8 3010 1 1 24 THR C C 4.339 -2.970 0.405 1.00 . A A . 24 THR C 1 1 8 3011 1 1 24 THR CA C 3.882 -2.960 -1.060 1.00 . A A . 24 THR CA 1 1 8 3012 1 1 24 THR CB C 5.069 -3.223 -1.987 1.00 . A A . 24 THR CB 1 1 8 3013 1 1 24 THR CG2 C 4.574 -3.878 -3.278 1.00 . A A . 24 THR CG2 1 1 8 3014 1 1 24 THR H H 3.727 -0.809 -1.029 1.00 . A A . 24 THR H 1 1 8 3015 1 1 24 THR HA H 3.124 -3.706 -1.219 1.00 . A A . 24 THR HA 1 1 8 3016 1 1 24 THR HB H 5.767 -3.882 -1.499 1.00 . A A . 24 THR HB 1 1 8 3017 1 1 24 THR HG1 H 6.465 -1.899 -1.704 1.00 . A A . 24 THR HG1 1 1 8 3018 1 1 24 THR HG21 H 3.874 -3.220 -3.770 1.00 . A A . 24 THR HG21 1 1 8 3019 1 1 24 THR HG22 H 4.087 -4.813 -3.044 1.00 . A A . 24 THR HG22 1 1 8 3020 1 1 24 THR HG23 H 5.414 -4.064 -3.932 1.00 . A A . 24 THR HG23 1 1 8 3021 1 1 24 THR N N 3.375 -1.614 -1.459 1.00 . A A . 24 THR N 1 1 8 3022 1 1 24 THR O O 4.251 -3.978 1.079 1.00 . A A . 24 THR O 1 1 8 3023 1 1 24 THR OG1 O 5.711 -1.992 -2.292 1.00 . A A . 24 THR OG1 1 1 8 3024 1 1 25 MET C C 4.158 -2.227 3.260 1.00 . A A . 25 MET C 1 1 8 3025 1 1 25 MET CA C 5.303 -1.846 2.317 1.00 . A A . 25 MET CA 1 1 8 3026 1 1 25 MET CB C 5.781 -0.408 2.567 1.00 . A A . 25 MET CB 1 1 8 3027 1 1 25 MET CE C 4.677 2.216 5.052 1.00 . A A . 25 MET CE 1 1 8 3028 1 1 25 MET CG C 4.602 0.488 2.959 1.00 . A A . 25 MET CG 1 1 8 3029 1 1 25 MET H H 4.910 -1.071 0.352 1.00 . A A . 25 MET H 1 1 8 3030 1 1 25 MET HA H 6.125 -2.526 2.436 1.00 . A A . 25 MET HA 1 1 8 3031 1 1 25 MET HB2 H 6.509 -0.409 3.365 1.00 . A A . 25 MET HB2 1 1 8 3032 1 1 25 MET HB3 H 6.239 -0.021 1.668 1.00 . A A . 25 MET HB3 1 1 8 3033 1 1 25 MET HE1 H 5.343 2.605 4.293 1.00 . A A . 25 MET HE1 1 1 8 3034 1 1 25 MET HE2 H 5.125 2.352 6.023 1.00 . A A . 25 MET HE2 1 1 8 3035 1 1 25 MET HE3 H 3.733 2.745 5.015 1.00 . A A . 25 MET HE3 1 1 8 3036 1 1 25 MET HG2 H 4.795 1.500 2.638 1.00 . A A . 25 MET HG2 1 1 8 3037 1 1 25 MET HG3 H 3.704 0.127 2.485 1.00 . A A . 25 MET HG3 1 1 8 3038 1 1 25 MET N N 4.836 -1.870 0.904 1.00 . A A . 25 MET N 1 1 8 3039 1 1 25 MET O O 4.370 -2.816 4.301 1.00 . A A . 25 MET O 1 1 8 3040 1 1 25 MET SD S 4.391 0.454 4.756 1.00 . A A . 25 MET SD 1 1 8 3041 1 1 26 CYS C C 1.274 -3.644 3.431 1.00 . A A . 26 CYS C 1 1 8 3042 1 1 26 CYS CA C 1.795 -2.248 3.778 1.00 . A A . 26 CYS CA 1 1 8 3043 1 1 26 CYS CB C 0.736 -1.187 3.486 1.00 . A A . 26 CYS CB 1 1 8 3044 1 1 26 CYS H H 2.798 -1.427 2.055 1.00 . A A . 26 CYS H 1 1 8 3045 1 1 26 CYS HA H 2.085 -2.207 4.817 1.00 . A A . 26 CYS HA 1 1 8 3046 1 1 26 CYS HB2 H 1.164 -0.204 3.622 1.00 . A A . 26 CYS HB2 1 1 8 3047 1 1 26 CYS HB3 H 0.392 -1.292 2.468 1.00 . A A . 26 CYS HB3 1 1 8 3048 1 1 26 CYS N N 2.949 -1.899 2.901 1.00 . A A . 26 CYS N 1 1 8 3049 1 1 26 CYS O O 0.612 -3.842 2.432 1.00 . A A . 26 CYS O 1 1 8 3050 1 1 26 CYS SG S -0.659 -1.399 4.618 1.00 . A A . 26 CYS SG 1 1 8 3051 1 1 27 TYR C C -0.232 -6.256 4.677 1.00 . A A . 27 TYR C 1 1 8 3052 1 1 27 TYR CA C 1.105 -5.999 3.978 1.00 . A A . 27 TYR CA 1 1 8 3053 1 1 27 TYR CB C 2.199 -6.894 4.558 1.00 . A A . 27 TYR CB 1 1 8 3054 1 1 27 TYR CD1 C 1.962 -9.402 4.675 1.00 . A A . 27 TYR CD1 1 1 8 3055 1 1 27 TYR CD2 C 2.279 -8.359 2.509 1.00 . A A . 27 TYR CD2 1 1 8 3056 1 1 27 TYR CE1 C 1.913 -10.660 4.063 1.00 . A A . 27 TYR CE1 1 1 8 3057 1 1 27 TYR CE2 C 2.230 -9.617 1.896 1.00 . A A . 27 TYR CE2 1 1 8 3058 1 1 27 TYR CG C 2.144 -8.252 3.898 1.00 . A A . 27 TYR CG 1 1 8 3059 1 1 27 TYR CZ C 2.048 -10.768 2.674 1.00 . A A . 27 TYR CZ 1 1 8 3060 1 1 27 TYR H H 2.111 -4.427 5.049 1.00 . A A . 27 TYR H 1 1 8 3061 1 1 27 TYR HA H 1.016 -6.167 2.916 1.00 . A A . 27 TYR HA 1 1 8 3062 1 1 27 TYR HB2 H 3.165 -6.443 4.378 1.00 . A A . 27 TYR HB2 1 1 8 3063 1 1 27 TYR HB3 H 2.044 -7.005 5.623 1.00 . A A . 27 TYR HB3 1 1 8 3064 1 1 27 TYR HD1 H 1.858 -9.318 5.747 1.00 . A A . 27 TYR HD1 1 1 8 3065 1 1 27 TYR HD2 H 2.419 -7.473 1.909 1.00 . A A . 27 TYR HD2 1 1 8 3066 1 1 27 TYR HE1 H 1.773 -11.548 4.663 1.00 . A A . 27 TYR HE1 1 1 8 3067 1 1 27 TYR HE2 H 2.334 -9.701 0.825 1.00 . A A . 27 TYR HE2 1 1 8 3068 1 1 27 TYR HH H 1.728 -11.884 1.158 1.00 . A A . 27 TYR HH 1 1 8 3069 1 1 27 TYR N N 1.574 -4.612 4.252 1.00 . A A . 27 TYR N 1 1 8 3070 1 1 27 TYR O O -0.942 -5.296 4.925 1.00 . A A . 27 TYR O 1 1 8 3071 1 1 27 TYR OXT O -0.521 -7.409 4.953 1.00 . A A . 27 TYR OXT 1 1 8 3072 1 1 27 TYR OH O 2.002 -12.008 2.070 1.00 . A A . 27 TYR OH 1 1 9 3073 1 1 1 GLY C C -5.619 -8.004 3.281 1.00 . A A . 1 GLY C 1 1 9 3074 1 1 1 GLY CA C -6.328 -9.224 2.691 1.00 . A A . 1 GLY CA 1 1 9 3075 1 1 1 GLY H1 H -8.389 -9.267 2.978 1.00 . A A . 1 GLY H1 1 1 9 3076 1 1 1 GLY H2 H -7.496 -9.016 4.402 1.00 . A A . 1 GLY H2 1 1 9 3077 1 1 1 GLY H3 H -7.565 -10.562 3.699 1.00 . A A . 1 GLY H3 1 1 9 3078 1 1 1 GLY HA2 H -5.657 -10.072 2.698 1.00 . A A . 1 GLY HA2 1 1 9 3079 1 1 1 GLY HA3 H -6.624 -9.009 1.675 1.00 . A A . 1 GLY HA3 1 1 9 3080 1 1 1 GLY N N -7.535 -9.541 3.504 1.00 . A A . 1 GLY N 1 1 9 3081 1 1 1 GLY O O -5.775 -7.687 4.444 1.00 . A A . 1 GLY O 1 1 9 3082 1 1 2 GLY C C -4.020 -5.071 1.897 1.00 . A A . 2 GLY C 1 1 9 3083 1 1 2 GLY CA C -4.124 -6.119 3.007 1.00 . A A . 2 GLY CA 1 1 9 3084 1 1 2 GLY H H -4.729 -7.592 1.557 1.00 . A A . 2 GLY H 1 1 9 3085 1 1 2 GLY HA2 H -4.669 -5.708 3.844 1.00 . A A . 2 GLY HA2 1 1 9 3086 1 1 2 GLY HA3 H -3.133 -6.402 3.325 1.00 . A A . 2 GLY HA3 1 1 9 3087 1 1 2 GLY N N -4.842 -7.319 2.490 1.00 . A A . 2 GLY N 1 1 9 3088 1 1 2 GLY O O -4.671 -4.047 1.936 1.00 . A A . 2 GLY O 1 1 9 3089 1 1 3 LEU C C -4.439 -3.802 -0.616 1.00 . A A . 3 LEU C 1 1 9 3090 1 1 3 LEU CA C -3.064 -4.338 -0.204 1.00 . A A . 3 LEU CA 1 1 9 3091 1 1 3 LEU CB C -2.431 -5.125 -1.351 1.00 . A A . 3 LEU CB 1 1 9 3092 1 1 3 LEU CD1 C -0.686 -6.913 -1.279 1.00 . A A . 3 LEU CD1 1 1 9 3093 1 1 3 LEU CD2 C -0.055 -4.571 -1.885 1.00 . A A . 3 LEU CD2 1 1 9 3094 1 1 3 LEU CG C -0.971 -5.434 -1.013 1.00 . A A . 3 LEU CG 1 1 9 3095 1 1 3 LEU H H -2.692 -6.154 0.894 1.00 . A A . 3 LEU H 1 1 9 3096 1 1 3 LEU HA H -2.417 -3.529 0.089 1.00 . A A . 3 LEU HA 1 1 9 3097 1 1 3 LEU HB2 H -2.970 -6.050 -1.495 1.00 . A A . 3 LEU HB2 1 1 9 3098 1 1 3 LEU HB3 H -2.472 -4.540 -2.257 1.00 . A A . 3 LEU HB3 1 1 9 3099 1 1 3 LEU HD11 H 0.381 -7.071 -1.325 1.00 . A A . 3 LEU HD11 1 1 9 3100 1 1 3 LEU HD12 H -1.134 -7.202 -2.219 1.00 . A A . 3 LEU HD12 1 1 9 3101 1 1 3 LEU HD13 H -1.104 -7.510 -0.482 1.00 . A A . 3 LEU HD13 1 1 9 3102 1 1 3 LEU HD21 H 0.940 -4.993 -1.888 1.00 . A A . 3 LEU HD21 1 1 9 3103 1 1 3 LEU HD22 H -0.020 -3.569 -1.487 1.00 . A A . 3 LEU HD22 1 1 9 3104 1 1 3 LEU HD23 H -0.438 -4.546 -2.894 1.00 . A A . 3 LEU HD23 1 1 9 3105 1 1 3 LEU HG H -0.790 -5.215 0.030 1.00 . A A . 3 LEU HG 1 1 9 3106 1 1 3 LEU N N -3.207 -5.320 0.907 1.00 . A A . 3 LEU N 1 1 9 3107 1 1 3 LEU O O -4.573 -2.683 -1.068 1.00 . A A . 3 LEU O 1 1 9 3108 1 1 4 GLY C C -7.147 -2.810 -0.187 1.00 . A A . 4 GLY C 1 1 9 3109 1 1 4 GLY CA C -6.826 -4.151 -0.849 1.00 . A A . 4 GLY CA 1 1 9 3110 1 1 4 GLY H H -5.330 -5.496 -0.105 1.00 . A A . 4 GLY H 1 1 9 3111 1 1 4 GLY HA2 H -6.871 -4.043 -1.920 1.00 . A A . 4 GLY HA2 1 1 9 3112 1 1 4 GLY HA3 H -7.549 -4.888 -0.529 1.00 . A A . 4 GLY HA3 1 1 9 3113 1 1 4 GLY N N -5.461 -4.599 -0.465 1.00 . A A . 4 GLY N 1 1 9 3114 1 1 4 GLY O O -7.814 -1.970 -0.758 1.00 . A A . 4 GLY O 1 1 9 3115 1 1 5 ARG C C -5.694 -0.520 1.946 1.00 . A A . 5 ARG C 1 1 9 3116 1 1 5 ARG CA C -6.981 -1.314 1.709 1.00 . A A . 5 ARG CA 1 1 9 3117 1 1 5 ARG CB C -7.618 -1.714 3.040 1.00 . A A . 5 ARG CB 1 1 9 3118 1 1 5 ARG CD C -9.646 -0.276 2.762 1.00 . A A . 5 ARG CD 1 1 9 3119 1 1 5 ARG CG C -8.396 -0.527 3.612 1.00 . A A . 5 ARG CG 1 1 9 3120 1 1 5 ARG CZ C -9.806 2.050 2.093 1.00 . A A . 5 ARG CZ 1 1 9 3121 1 1 5 ARG H H -6.156 -3.292 1.463 1.00 . A A . 5 ARG H 1 1 9 3122 1 1 5 ARG HA H -7.677 -0.730 1.131 1.00 . A A . 5 ARG HA 1 1 9 3123 1 1 5 ARG HB2 H -8.290 -2.546 2.881 1.00 . A A . 5 ARG HB2 1 1 9 3124 1 1 5 ARG HB3 H -6.846 -2.005 3.736 1.00 . A A . 5 ARG HB3 1 1 9 3125 1 1 5 ARG HD2 H -9.423 -0.428 1.715 1.00 . A A . 5 ARG HD2 1 1 9 3126 1 1 5 ARG HD3 H -10.450 -0.921 3.076 1.00 . A A . 5 ARG HD3 1 1 9 3127 1 1 5 ARG HE H -10.389 1.409 3.880 1.00 . A A . 5 ARG HE 1 1 9 3128 1 1 5 ARG HG2 H -8.691 -0.747 4.629 1.00 . A A . 5 ARG HG2 1 1 9 3129 1 1 5 ARG HG3 H -7.772 0.354 3.599 1.00 . A A . 5 ARG HG3 1 1 9 3130 1 1 5 ARG HH11 H -7.856 2.245 2.485 1.00 . A A . 5 ARG HH11 1 1 9 3131 1 1 5 ARG HH12 H -8.463 3.238 1.205 1.00 . A A . 5 ARG HH12 1 1 9 3132 1 1 5 ARG HH21 H -11.710 2.067 1.478 1.00 . A A . 5 ARG HH21 1 1 9 3133 1 1 5 ARG HH22 H -10.640 3.142 0.641 1.00 . A A . 5 ARG HH22 1 1 9 3134 1 1 5 ARG N N -6.687 -2.602 1.016 1.00 . A A . 5 ARG N 1 1 9 3135 1 1 5 ARG NE N -10.005 1.148 3.017 1.00 . A A . 5 ARG NE 1 1 9 3136 1 1 5 ARG NH1 N -8.616 2.550 1.915 1.00 . A A . 5 ARG NH1 1 1 9 3137 1 1 5 ARG NH2 N -10.796 2.450 1.346 1.00 . A A . 5 ARG NH2 1 1 9 3138 1 1 5 ARG O O -5.699 0.695 1.957 1.00 . A A . 5 ARG O 1 1 9 3139 1 1 6 CYS C C -3.193 0.707 1.398 1.00 . A A . 6 CYS C 1 1 9 3140 1 1 6 CYS CA C -3.312 -0.467 2.372 1.00 . A A . 6 CYS CA 1 1 9 3141 1 1 6 CYS CB C -2.216 -1.495 2.099 1.00 . A A . 6 CYS CB 1 1 9 3142 1 1 6 CYS H H -4.609 -2.172 2.124 1.00 . A A . 6 CYS H 1 1 9 3143 1 1 6 CYS HA H -3.252 -0.121 3.390 1.00 . A A . 6 CYS HA 1 1 9 3144 1 1 6 CYS HB2 H -2.559 -2.196 1.355 1.00 . A A . 6 CYS HB2 1 1 9 3145 1 1 6 CYS HB3 H -1.331 -0.992 1.738 1.00 . A A . 6 CYS HB3 1 1 9 3146 1 1 6 CYS N N -4.594 -1.192 2.137 1.00 . A A . 6 CYS N 1 1 9 3147 1 1 6 CYS O O -3.546 1.825 1.711 1.00 . A A . 6 CYS O 1 1 9 3148 1 1 6 CYS SG S -1.825 -2.379 3.630 1.00 . A A . 6 CYS SG 1 1 9 3149 1 1 7 ILE C C -3.823 2.408 -0.790 1.00 . A A . 7 ILE C 1 1 9 3150 1 1 7 ILE CA C -2.562 1.546 -0.780 1.00 . A A . 7 ILE CA 1 1 9 3151 1 1 7 ILE CB C -2.386 0.823 -2.112 1.00 . A A . 7 ILE CB 1 1 9 3152 1 1 7 ILE CD1 C -1.202 -1.340 -1.744 1.00 . A A . 7 ILE CD1 1 1 9 3153 1 1 7 ILE CG1 C -1.042 0.133 -2.122 1.00 . A A . 7 ILE CG1 1 1 9 3154 1 1 7 ILE CG2 C -2.438 1.820 -3.266 1.00 . A A . 7 ILE CG2 1 1 9 3155 1 1 7 ILE H H -2.426 -0.454 -0.014 1.00 . A A . 7 ILE H 1 1 9 3156 1 1 7 ILE HA H -1.694 2.142 -0.560 1.00 . A A . 7 ILE HA 1 1 9 3157 1 1 7 ILE HB H -3.160 0.092 -2.227 1.00 . A A . 7 ILE HB 1 1 9 3158 1 1 7 ILE HD11 H -0.904 -1.481 -0.715 1.00 . A A . 7 ILE HD11 1 1 9 3159 1 1 7 ILE HD12 H -0.578 -1.946 -2.385 1.00 . A A . 7 ILE HD12 1 1 9 3160 1 1 7 ILE HD13 H -2.235 -1.633 -1.864 1.00 . A A . 7 ILE HD13 1 1 9 3161 1 1 7 ILE HG12 H -0.615 0.204 -3.107 1.00 . A A . 7 ILE HG12 1 1 9 3162 1 1 7 ILE HG13 H -0.401 0.621 -1.415 1.00 . A A . 7 ILE HG13 1 1 9 3163 1 1 7 ILE HG21 H -2.875 2.745 -2.926 1.00 . A A . 7 ILE HG21 1 1 9 3164 1 1 7 ILE HG22 H -3.032 1.411 -4.068 1.00 . A A . 7 ILE HG22 1 1 9 3165 1 1 7 ILE HG23 H -1.433 2.005 -3.623 1.00 . A A . 7 ILE HG23 1 1 9 3166 1 1 7 ILE N N -2.702 0.454 0.217 1.00 . A A . 7 ILE N 1 1 9 3167 1 1 7 ILE O O -3.762 3.620 -0.776 1.00 . A A . 7 ILE O 1 1 9 3168 1 1 8 TYR C C -6.163 3.682 0.236 1.00 . A A . 8 TYR C 1 1 9 3169 1 1 8 TYR CA C -6.234 2.569 -0.808 1.00 . A A . 8 TYR CA 1 1 9 3170 1 1 8 TYR CB C -7.318 1.555 -0.438 1.00 . A A . 8 TYR CB 1 1 9 3171 1 1 8 TYR CD1 C -9.756 1.194 -0.943 1.00 . A A . 8 TYR CD1 1 1 9 3172 1 1 8 TYR CD2 C -8.861 3.440 -1.130 1.00 . A A . 8 TYR CD2 1 1 9 3173 1 1 8 TYR CE1 C -11.018 1.664 -1.328 1.00 . A A . 8 TYR CE1 1 1 9 3174 1 1 8 TYR CE2 C -10.124 3.911 -1.512 1.00 . A A . 8 TYR CE2 1 1 9 3175 1 1 8 TYR CG C -8.677 2.079 -0.845 1.00 . A A . 8 TYR CG 1 1 9 3176 1 1 8 TYR CZ C -11.202 3.023 -1.613 1.00 . A A . 8 TYR CZ 1 1 9 3177 1 1 8 TYR H H -4.996 0.810 -0.812 1.00 . A A . 8 TYR H 1 1 9 3178 1 1 8 TYR HA H -6.432 2.978 -1.780 1.00 . A A . 8 TYR HA 1 1 9 3179 1 1 8 TYR HB2 H -7.126 0.625 -0.952 1.00 . A A . 8 TYR HB2 1 1 9 3180 1 1 8 TYR HB3 H -7.303 1.384 0.626 1.00 . A A . 8 TYR HB3 1 1 9 3181 1 1 8 TYR HD1 H -9.613 0.147 -0.720 1.00 . A A . 8 TYR HD1 1 1 9 3182 1 1 8 TYR HD2 H -8.031 4.127 -1.051 1.00 . A A . 8 TYR HD2 1 1 9 3183 1 1 8 TYR HE1 H -11.849 0.979 -1.404 1.00 . A A . 8 TYR HE1 1 1 9 3184 1 1 8 TYR HE2 H -10.266 4.959 -1.732 1.00 . A A . 8 TYR HE2 1 1 9 3185 1 1 8 TYR HH H -12.413 3.686 -2.930 1.00 . A A . 8 TYR HH 1 1 9 3186 1 1 8 TYR N N -4.967 1.789 -0.806 1.00 . A A . 8 TYR N 1 1 9 3187 1 1 8 TYR O O -6.145 4.852 -0.086 1.00 . A A . 8 TYR O 1 1 9 3188 1 1 8 TYR OH O -12.444 3.486 -1.993 1.00 . A A . 8 TYR OH 1 1 9 3189 1 1 9 ASN C C -4.789 5.150 2.518 1.00 . A A . 9 ASN C 1 1 9 3190 1 1 9 ASN CA C -6.092 4.343 2.559 1.00 . A A . 9 ASN CA 1 1 9 3191 1 1 9 ASN CB C -6.184 3.538 3.854 1.00 . A A . 9 ASN CB 1 1 9 3192 1 1 9 ASN CG C -7.269 4.136 4.752 1.00 . A A . 9 ASN CG 1 1 9 3193 1 1 9 ASN H H -6.167 2.377 1.714 1.00 . A A . 9 ASN H 1 1 9 3194 1 1 9 ASN HA H -6.938 4.994 2.480 1.00 . A A . 9 ASN HA 1 1 9 3195 1 1 9 ASN HB2 H -6.431 2.511 3.624 1.00 . A A . 9 ASN HB2 1 1 9 3196 1 1 9 ASN HB3 H -5.238 3.572 4.362 1.00 . A A . 9 ASN HB3 1 1 9 3197 1 1 9 ASN HD21 H -8.528 2.626 4.472 1.00 . A A . 9 ASN HD21 1 1 9 3198 1 1 9 ASN HD22 H -9.091 3.861 5.492 1.00 . A A . 9 ASN HD22 1 1 9 3199 1 1 9 ASN N N -6.139 3.322 1.482 1.00 . A A . 9 ASN N 1 1 9 3200 1 1 9 ASN ND2 N -8.389 3.487 4.920 1.00 . A A . 9 ASN ND2 1 1 9 3201 1 1 9 ASN O O -4.776 6.330 2.807 1.00 . A A . 9 ASN O 1 1 9 3202 1 1 9 ASN OD1 O -7.095 5.203 5.306 1.00 . A A . 9 ASN OD1 1 1 9 3203 1 1 10 CYS C C -2.321 6.174 0.922 1.00 . A A . 10 CYS C 1 1 9 3204 1 1 10 CYS CA C -2.404 5.268 2.147 1.00 . A A . 10 CYS CA 1 1 9 3205 1 1 10 CYS CB C -1.331 4.180 2.089 1.00 . A A . 10 CYS CB 1 1 9 3206 1 1 10 CYS H H -3.710 3.583 1.964 1.00 . A A . 10 CYS H 1 1 9 3207 1 1 10 CYS HA H -2.291 5.840 3.035 1.00 . A A . 10 CYS HA 1 1 9 3208 1 1 10 CYS HB2 H -1.692 3.294 2.592 1.00 . A A . 10 CYS HB2 1 1 9 3209 1 1 10 CYS HB3 H -1.115 3.945 1.060 1.00 . A A . 10 CYS HB3 1 1 9 3210 1 1 10 CYS N N -3.692 4.531 2.181 1.00 . A A . 10 CYS N 1 1 9 3211 1 1 10 CYS O O -2.058 7.356 1.022 1.00 . A A . 10 CYS O 1 1 9 3212 1 1 10 CYS SG S 0.175 4.766 2.911 1.00 . A A . 10 CYS SG 1 1 9 3213 1 1 11 MET C C -3.663 7.337 -1.637 1.00 . A A . 11 MET C 1 1 9 3214 1 1 11 MET CA C -2.442 6.427 -1.472 1.00 . A A . 11 MET CA 1 1 9 3215 1 1 11 MET CB C -2.380 5.381 -2.573 1.00 . A A . 11 MET CB 1 1 9 3216 1 1 11 MET CE C 0.298 6.412 -2.874 1.00 . A A . 11 MET CE 1 1 9 3217 1 1 11 MET CG C -1.318 4.332 -2.217 1.00 . A A . 11 MET CG 1 1 9 3218 1 1 11 MET H H -2.717 4.669 -0.283 1.00 . A A . 11 MET H 1 1 9 3219 1 1 11 MET HA H -1.540 7.003 -1.481 1.00 . A A . 11 MET HA 1 1 9 3220 1 1 11 MET HB2 H -3.345 4.902 -2.660 1.00 . A A . 11 MET HB2 1 1 9 3221 1 1 11 MET HB3 H -2.124 5.853 -3.505 1.00 . A A . 11 MET HB3 1 1 9 3222 1 1 11 MET HE1 H 1.326 6.513 -3.188 1.00 . A A . 11 MET HE1 1 1 9 3223 1 1 11 MET HE2 H -0.049 7.351 -2.477 1.00 . A A . 11 MET HE2 1 1 9 3224 1 1 11 MET HE3 H -0.315 6.129 -3.717 1.00 . A A . 11 MET HE3 1 1 9 3225 1 1 11 MET HG2 H -1.708 3.678 -1.456 1.00 . A A . 11 MET HG2 1 1 9 3226 1 1 11 MET HG3 H -1.077 3.755 -3.092 1.00 . A A . 11 MET HG3 1 1 9 3227 1 1 11 MET N N -2.525 5.623 -0.230 1.00 . A A . 11 MET N 1 1 9 3228 1 1 11 MET O O -3.535 8.533 -1.808 1.00 . A A . 11 MET O 1 1 9 3229 1 1 11 MET SD S 0.185 5.136 -1.598 1.00 . A A . 11 MET SD 1 1 9 3230 1 1 12 ASN C C -6.071 8.758 -0.721 1.00 . A A . 12 ASN C 1 1 9 3231 1 1 12 ASN CA C -6.062 7.631 -1.755 1.00 . A A . 12 ASN CA 1 1 9 3232 1 1 12 ASN CB C -7.244 6.690 -1.522 1.00 . A A . 12 ASN CB 1 1 9 3233 1 1 12 ASN CG C -8.524 7.354 -2.030 1.00 . A A . 12 ASN CG 1 1 9 3234 1 1 12 ASN H H -4.922 5.820 -1.457 1.00 . A A . 12 ASN H 1 1 9 3235 1 1 12 ASN HA H -6.107 8.036 -2.751 1.00 . A A . 12 ASN HA 1 1 9 3236 1 1 12 ASN HB2 H -7.080 5.763 -2.052 1.00 . A A . 12 ASN HB2 1 1 9 3237 1 1 12 ASN HB3 H -7.344 6.490 -0.466 1.00 . A A . 12 ASN HB3 1 1 9 3238 1 1 12 ASN HD21 H -8.437 8.841 -0.718 1.00 . A A . 12 ASN HD21 1 1 9 3239 1 1 12 ASN HD22 H -9.761 8.888 -1.779 1.00 . A A . 12 ASN HD22 1 1 9 3240 1 1 12 ASN N N -4.841 6.785 -1.592 1.00 . A A . 12 ASN N 1 1 9 3241 1 1 12 ASN ND2 N -8.943 8.451 -1.462 1.00 . A A . 12 ASN ND2 1 1 9 3242 1 1 12 ASN O O -6.534 9.850 -0.983 1.00 . A A . 12 ASN O 1 1 9 3243 1 1 12 ASN OD1 O -9.150 6.870 -2.953 1.00 . A A . 12 ASN OD1 1 1 9 3244 1 1 13 SER C C -5.094 8.953 2.839 1.00 . A A . 13 SER C 1 1 9 3245 1 1 13 SER CA C -5.537 9.554 1.502 1.00 . A A . 13 SER CA 1 1 9 3246 1 1 13 SER CB C -6.974 10.069 1.591 1.00 . A A . 13 SER CB 1 1 9 3247 1 1 13 SER H H -5.192 7.620 0.638 1.00 . A A . 13 SER H 1 1 9 3248 1 1 13 SER HA H -4.876 10.351 1.212 1.00 . A A . 13 SER HA 1 1 9 3249 1 1 13 SER HB2 H -7.586 9.561 0.865 1.00 . A A . 13 SER HB2 1 1 9 3250 1 1 13 SER HB3 H -7.361 9.878 2.583 1.00 . A A . 13 SER HB3 1 1 9 3251 1 1 13 SER HG H -6.344 11.641 0.633 1.00 . A A . 13 SER HG 1 1 9 3252 1 1 13 SER N N -5.561 8.502 0.451 1.00 . A A . 13 SER N 1 1 9 3253 1 1 13 SER O O -5.905 8.552 3.650 1.00 . A A . 13 SER O 1 1 9 3254 1 1 13 SER OG O -6.990 11.465 1.322 1.00 . A A . 13 SER OG 1 1 9 3255 1 1 14 GLY C C -1.783 8.297 4.321 1.00 . A A . 14 GLY C 1 1 9 3256 1 1 14 GLY CA C -3.312 8.316 4.342 1.00 . A A . 14 GLY CA 1 1 9 3257 1 1 14 GLY H H -3.179 9.211 2.411 1.00 . A A . 14 GLY H 1 1 9 3258 1 1 14 GLY HA2 H -3.655 8.922 5.164 1.00 . A A . 14 GLY HA2 1 1 9 3259 1 1 14 GLY HA3 H -3.678 7.310 4.447 1.00 . A A . 14 GLY HA3 1 1 9 3260 1 1 14 GLY N N -3.812 8.887 3.071 1.00 . A A . 14 GLY N 1 1 9 3261 1 1 14 GLY O O -1.134 8.477 5.332 1.00 . A A . 14 GLY O 1 1 9 3262 1 1 15 GLY C C 0.766 9.346 2.412 1.00 . A A . 15 GLY C 1 1 9 3263 1 1 15 GLY CA C 0.281 8.056 3.077 1.00 . A A . 15 GLY CA 1 1 9 3264 1 1 15 GLY H H -1.750 7.945 2.371 1.00 . A A . 15 GLY H 1 1 9 3265 1 1 15 GLY HA2 H 0.705 7.977 4.070 1.00 . A A . 15 GLY HA2 1 1 9 3266 1 1 15 GLY HA3 H 0.589 7.210 2.481 1.00 . A A . 15 GLY HA3 1 1 9 3267 1 1 15 GLY N N -1.205 8.084 3.173 1.00 . A A . 15 GLY N 1 1 9 3268 1 1 15 GLY O O 1.397 10.176 3.035 1.00 . A A . 15 GLY O 1 1 9 3269 1 1 16 GLY C C 2.403 10.698 0.150 1.00 . A A . 16 GLY C 1 1 9 3270 1 1 16 GLY CA C 0.902 10.758 0.451 1.00 . A A . 16 GLY CA 1 1 9 3271 1 1 16 GLY H H -0.044 8.852 0.674 1.00 . A A . 16 GLY H 1 1 9 3272 1 1 16 GLY HA2 H 0.353 10.852 -0.478 1.00 . A A . 16 GLY HA2 1 1 9 3273 1 1 16 GLY HA3 H 0.696 11.605 1.077 1.00 . A A . 16 GLY HA3 1 1 9 3274 1 1 16 GLY N N 0.470 9.523 1.153 1.00 . A A . 16 GLY N 1 1 9 3275 1 1 16 GLY O O 2.825 10.908 -0.970 1.00 . A A . 16 GLY O 1 1 9 3276 1 1 17 LEU C C 5.009 9.708 -0.436 1.00 . A A . 17 LEU C 1 1 9 3277 1 1 17 LEU CA C 4.684 10.355 0.914 1.00 . A A . 17 LEU CA 1 1 9 3278 1 1 17 LEU CB C 5.237 9.519 2.064 1.00 . A A . 17 LEU CB 1 1 9 3279 1 1 17 LEU CD1 C 5.113 7.053 1.813 1.00 . A A . 17 LEU CD1 1 1 9 3280 1 1 17 LEU CD2 C 4.052 8.172 3.776 1.00 . A A . 17 LEU CD2 1 1 9 3281 1 1 17 LEU CG C 4.362 8.292 2.287 1.00 . A A . 17 LEU CG 1 1 9 3282 1 1 17 LEU H H 2.850 10.264 2.035 1.00 . A A . 17 LEU H 1 1 9 3283 1 1 17 LEU HA H 5.105 11.332 0.961 1.00 . A A . 17 LEU HA 1 1 9 3284 1 1 17 LEU HB2 H 6.242 9.204 1.826 1.00 . A A . 17 LEU HB2 1 1 9 3285 1 1 17 LEU HB3 H 5.252 10.115 2.964 1.00 . A A . 17 LEU HB3 1 1 9 3286 1 1 17 LEU HD11 H 4.406 6.283 1.550 1.00 . A A . 17 LEU HD11 1 1 9 3287 1 1 17 LEU HD12 H 5.759 6.702 2.602 1.00 . A A . 17 LEU HD12 1 1 9 3288 1 1 17 LEU HD13 H 5.708 7.308 0.947 1.00 . A A . 17 LEU HD13 1 1 9 3289 1 1 17 LEU HD21 H 3.408 8.986 4.073 1.00 . A A . 17 LEU HD21 1 1 9 3290 1 1 17 LEU HD22 H 4.974 8.218 4.338 1.00 . A A . 17 LEU HD22 1 1 9 3291 1 1 17 LEU HD23 H 3.558 7.232 3.966 1.00 . A A . 17 LEU HD23 1 1 9 3292 1 1 17 LEU HG H 3.441 8.388 1.733 1.00 . A A . 17 LEU HG 1 1 9 3293 1 1 17 LEU N N 3.211 10.422 1.140 1.00 . A A . 17 LEU N 1 1 9 3294 1 1 17 LEU O O 5.701 10.278 -1.255 1.00 . A A . 17 LEU O 1 1 9 3295 1 1 18 SER C C 3.780 6.766 -2.264 1.00 . A A . 18 SER C 1 1 9 3296 1 1 18 SER CA C 4.815 7.851 -1.969 1.00 . A A . 18 SER CA 1 1 9 3297 1 1 18 SER CB C 6.189 7.223 -1.779 1.00 . A A . 18 SER CB 1 1 9 3298 1 1 18 SER H H 3.973 8.077 -0.004 1.00 . A A . 18 SER H 1 1 9 3299 1 1 18 SER HA H 4.847 8.565 -2.774 1.00 . A A . 18 SER HA 1 1 9 3300 1 1 18 SER HB2 H 6.486 7.313 -0.751 1.00 . A A . 18 SER HB2 1 1 9 3301 1 1 18 SER HB3 H 6.144 6.177 -2.047 1.00 . A A . 18 SER HB3 1 1 9 3302 1 1 18 SER HG H 6.701 8.127 -3.425 1.00 . A A . 18 SER HG 1 1 9 3303 1 1 18 SER N N 4.522 8.524 -0.674 1.00 . A A . 18 SER N 1 1 9 3304 1 1 18 SER O O 2.738 6.688 -1.643 1.00 . A A . 18 SER O 1 1 9 3305 1 1 18 SER OG O 7.134 7.897 -2.601 1.00 . A A . 18 SER OG 1 1 9 3306 1 1 19 PHE C C 3.834 3.496 -3.310 1.00 . A A . 19 PHE C 1 1 9 3307 1 1 19 PHE CA C 3.149 4.824 -3.578 1.00 . A A . 19 PHE CA 1 1 9 3308 1 1 19 PHE CB C 2.904 5.016 -5.074 1.00 . A A . 19 PHE CB 1 1 9 3309 1 1 19 PHE CD1 C 1.145 3.226 -5.340 1.00 . A A . 19 PHE CD1 1 1 9 3310 1 1 19 PHE CD2 C 3.199 3.050 -6.616 1.00 . A A . 19 PHE CD2 1 1 9 3311 1 1 19 PHE CE1 C 0.686 2.038 -5.919 1.00 . A A . 19 PHE CE1 1 1 9 3312 1 1 19 PHE CE2 C 2.740 1.862 -7.194 1.00 . A A . 19 PHE CE2 1 1 9 3313 1 1 19 PHE CG C 2.402 3.731 -5.690 1.00 . A A . 19 PHE CG 1 1 9 3314 1 1 19 PHE CZ C 1.483 1.356 -6.846 1.00 . A A . 19 PHE CZ 1 1 9 3315 1 1 19 PHE H H 4.933 6.020 -3.681 1.00 . A A . 19 PHE H 1 1 9 3316 1 1 19 PHE HA H 2.227 4.890 -3.029 1.00 . A A . 19 PHE HA 1 1 9 3317 1 1 19 PHE HB2 H 2.172 5.791 -5.219 1.00 . A A . 19 PHE HB2 1 1 9 3318 1 1 19 PHE HB3 H 3.830 5.303 -5.554 1.00 . A A . 19 PHE HB3 1 1 9 3319 1 1 19 PHE HD1 H 0.530 3.752 -4.624 1.00 . A A . 19 PHE HD1 1 1 9 3320 1 1 19 PHE HD2 H 4.169 3.440 -6.884 1.00 . A A . 19 PHE HD2 1 1 9 3321 1 1 19 PHE HE1 H -0.284 1.646 -5.649 1.00 . A A . 19 PHE HE1 1 1 9 3322 1 1 19 PHE HE2 H 3.356 1.336 -7.909 1.00 . A A . 19 PHE HE2 1 1 9 3323 1 1 19 PHE HZ H 1.127 0.439 -7.293 1.00 . A A . 19 PHE HZ 1 1 9 3324 1 1 19 PHE N N 4.079 5.927 -3.209 1.00 . A A . 19 PHE N 1 1 9 3325 1 1 19 PHE O O 3.421 2.723 -2.469 1.00 . A A . 19 PHE O 1 1 9 3326 1 1 20 ILE C C 5.779 1.744 -2.289 1.00 . A A . 20 ILE C 1 1 9 3327 1 1 20 ILE CA C 5.634 1.973 -3.793 1.00 . A A . 20 ILE CA 1 1 9 3328 1 1 20 ILE CB C 6.995 2.186 -4.453 1.00 . A A . 20 ILE CB 1 1 9 3329 1 1 20 ILE CD1 C 9.026 3.635 -4.434 1.00 . A A . 20 ILE CD1 1 1 9 3330 1 1 20 ILE CG1 C 7.550 3.552 -4.048 1.00 . A A . 20 ILE CG1 1 1 9 3331 1 1 20 ILE CG2 C 6.839 2.132 -5.974 1.00 . A A . 20 ILE CG2 1 1 9 3332 1 1 20 ILE H H 5.206 3.893 -4.674 1.00 . A A . 20 ILE H 1 1 9 3333 1 1 20 ILE HA H 5.117 1.146 -4.255 1.00 . A A . 20 ILE HA 1 1 9 3334 1 1 20 ILE HB H 7.674 1.411 -4.133 1.00 . A A . 20 ILE HB 1 1 9 3335 1 1 20 ILE HD11 H 9.233 2.923 -5.219 1.00 . A A . 20 ILE HD11 1 1 9 3336 1 1 20 ILE HD12 H 9.637 3.407 -3.572 1.00 . A A . 20 ILE HD12 1 1 9 3337 1 1 20 ILE HD13 H 9.252 4.631 -4.783 1.00 . A A . 20 ILE HD13 1 1 9 3338 1 1 20 ILE HG12 H 7.000 4.331 -4.559 1.00 . A A . 20 ILE HG12 1 1 9 3339 1 1 20 ILE HG13 H 7.450 3.681 -2.982 1.00 . A A . 20 ILE HG13 1 1 9 3340 1 1 20 ILE HG21 H 7.678 1.603 -6.403 1.00 . A A . 20 ILE HG21 1 1 9 3341 1 1 20 ILE HG22 H 6.808 3.137 -6.368 1.00 . A A . 20 ILE HG22 1 1 9 3342 1 1 20 ILE HG23 H 5.923 1.618 -6.224 1.00 . A A . 20 ILE HG23 1 1 9 3343 1 1 20 ILE N N 4.893 3.241 -4.013 1.00 . A A . 20 ILE N 1 1 9 3344 1 1 20 ILE O O 5.860 0.625 -1.821 1.00 . A A . 20 ILE O 1 1 9 3345 1 1 21 GLN C C 4.660 1.918 0.468 1.00 . A A . 21 GLN C 1 1 9 3346 1 1 21 GLN CA C 5.894 2.658 -0.047 1.00 . A A . 21 GLN CA 1 1 9 3347 1 1 21 GLN CB C 5.938 4.086 0.497 1.00 . A A . 21 GLN CB 1 1 9 3348 1 1 21 GLN CD C 8.398 3.978 0.916 1.00 . A A . 21 GLN CD 1 1 9 3349 1 1 21 GLN CG C 7.291 4.718 0.165 1.00 . A A . 21 GLN CG 1 1 9 3350 1 1 21 GLN H H 5.700 3.697 -1.923 1.00 . A A . 21 GLN H 1 1 9 3351 1 1 21 GLN HA H 6.795 2.127 0.218 1.00 . A A . 21 GLN HA 1 1 9 3352 1 1 21 GLN HB2 H 5.148 4.669 0.045 1.00 . A A . 21 GLN HB2 1 1 9 3353 1 1 21 GLN HB3 H 5.805 4.069 1.568 1.00 . A A . 21 GLN HB3 1 1 9 3354 1 1 21 GLN HE21 H 9.077 3.059 -0.708 1.00 . A A . 21 GLN HE21 1 1 9 3355 1 1 21 GLN HE22 H 9.907 2.702 0.727 1.00 . A A . 21 GLN HE22 1 1 9 3356 1 1 21 GLN HG2 H 7.469 4.648 -0.898 1.00 . A A . 21 GLN HG2 1 1 9 3357 1 1 21 GLN HG3 H 7.288 5.755 0.464 1.00 . A A . 21 GLN HG3 1 1 9 3358 1 1 21 GLN N N 5.785 2.805 -1.524 1.00 . A A . 21 GLN N 1 1 9 3359 1 1 21 GLN NE2 N 9.193 3.179 0.258 1.00 . A A . 21 GLN NE2 1 1 9 3360 1 1 21 GLN O O 4.746 0.801 0.931 1.00 . A A . 21 GLN O 1 1 9 3361 1 1 21 GLN OE1 O 8.542 4.126 2.113 1.00 . A A . 21 GLN OE1 1 1 9 3362 1 1 22 CYS C C 1.979 0.658 -0.105 1.00 . A A . 22 CYS C 1 1 9 3363 1 1 22 CYS CA C 2.273 1.830 0.834 1.00 . A A . 22 CYS CA 1 1 9 3364 1 1 22 CYS CB C 1.158 2.875 0.749 1.00 . A A . 22 CYS CB 1 1 9 3365 1 1 22 CYS H H 3.447 3.418 -0.022 1.00 . A A . 22 CYS H 1 1 9 3366 1 1 22 CYS HA H 2.391 1.485 1.848 1.00 . A A . 22 CYS HA 1 1 9 3367 1 1 22 CYS HB2 H 0.952 3.098 -0.288 1.00 . A A . 22 CYS HB2 1 1 9 3368 1 1 22 CYS HB3 H 0.266 2.484 1.217 1.00 . A A . 22 CYS HB3 1 1 9 3369 1 1 22 CYS N N 3.505 2.522 0.370 1.00 . A A . 22 CYS N 1 1 9 3370 1 1 22 CYS O O 1.431 -0.350 0.295 1.00 . A A . 22 CYS O 1 1 9 3371 1 1 22 CYS SG S 1.668 4.389 1.599 1.00 . A A . 22 CYS SG 1 1 9 3372 1 1 23 LYS C C 3.058 -1.483 -2.061 1.00 . A A . 23 LYS C 1 1 9 3373 1 1 23 LYS CA C 2.096 -0.316 -2.321 1.00 . A A . 23 LYS CA 1 1 9 3374 1 1 23 LYS CB C 2.356 0.313 -3.688 1.00 . A A . 23 LYS CB 1 1 9 3375 1 1 23 LYS CD C 3.394 -0.790 -5.658 1.00 . A A . 23 LYS CD 1 1 9 3376 1 1 23 LYS CE C 3.014 -1.274 -7.058 1.00 . A A . 23 LYS CE 1 1 9 3377 1 1 23 LYS CG C 2.144 -0.727 -4.784 1.00 . A A . 23 LYS CG 1 1 9 3378 1 1 23 LYS H H 2.790 1.610 -1.658 1.00 . A A . 23 LYS H 1 1 9 3379 1 1 23 LYS HA H 1.074 -0.648 -2.261 1.00 . A A . 23 LYS HA 1 1 9 3380 1 1 23 LYS HB2 H 1.675 1.139 -3.838 1.00 . A A . 23 LYS HB2 1 1 9 3381 1 1 23 LYS HB3 H 3.373 0.675 -3.729 1.00 . A A . 23 LYS HB3 1 1 9 3382 1 1 23 LYS HD2 H 3.836 0.196 -5.721 1.00 . A A . 23 LYS HD2 1 1 9 3383 1 1 23 LYS HD3 H 4.104 -1.474 -5.219 1.00 . A A . 23 LYS HD3 1 1 9 3384 1 1 23 LYS HE2 H 2.207 -1.990 -7.000 1.00 . A A . 23 LYS HE2 1 1 9 3385 1 1 23 LYS HE3 H 2.735 -0.440 -7.683 1.00 . A A . 23 LYS HE3 1 1 9 3386 1 1 23 LYS HG2 H 1.965 -1.693 -4.338 1.00 . A A . 23 LYS HG2 1 1 9 3387 1 1 23 LYS HG3 H 1.296 -0.447 -5.390 1.00 . A A . 23 LYS HG3 1 1 9 3388 1 1 23 LYS HZ1 H 4.251 -1.861 -8.627 1.00 . A A . 23 LYS HZ1 1 1 9 3389 1 1 23 LYS HZ2 H 4.270 -2.918 -7.297 1.00 . A A . 23 LYS HZ2 1 1 9 3390 1 1 23 LYS HZ3 H 5.086 -1.429 -7.216 1.00 . A A . 23 LYS HZ3 1 1 9 3391 1 1 23 LYS N N 2.346 0.786 -1.353 1.00 . A A . 23 LYS N 1 1 9 3392 1 1 23 LYS NZ N 4.249 -1.919 -7.590 1.00 . A A . 23 LYS NZ 1 1 9 3393 1 1 23 LYS O O 3.027 -2.489 -2.741 1.00 . A A . 23 LYS O 1 1 9 3394 1 1 24 THR C C 5.079 -2.615 0.724 1.00 . A A . 24 THR C 1 1 9 3395 1 1 24 THR CA C 4.871 -2.467 -0.787 1.00 . A A . 24 THR CA 1 1 9 3396 1 1 24 THR CB C 6.176 -2.053 -1.467 1.00 . A A . 24 THR CB 1 1 9 3397 1 1 24 THR CG2 C 7.176 -3.208 -1.403 1.00 . A A . 24 THR CG2 1 1 9 3398 1 1 24 THR H H 3.929 -0.544 -0.540 1.00 . A A . 24 THR H 1 1 9 3399 1 1 24 THR HA H 4.516 -3.391 -1.208 1.00 . A A . 24 THR HA 1 1 9 3400 1 1 24 THR HB H 6.591 -1.196 -0.962 1.00 . A A . 24 THR HB 1 1 9 3401 1 1 24 THR HG1 H 6.704 -1.927 -3.335 1.00 . A A . 24 THR HG1 1 1 9 3402 1 1 24 THR HG21 H 7.228 -3.584 -0.392 1.00 . A A . 24 THR HG21 1 1 9 3403 1 1 24 THR HG22 H 8.152 -2.858 -1.707 1.00 . A A . 24 THR HG22 1 1 9 3404 1 1 24 THR HG23 H 6.857 -3.999 -2.064 1.00 . A A . 24 THR HG23 1 1 9 3405 1 1 24 THR N N 3.915 -1.360 -1.080 1.00 . A A . 24 THR N 1 1 9 3406 1 1 24 THR O O 5.180 -3.708 1.242 1.00 . A A . 24 THR O 1 1 9 3407 1 1 24 THR OG1 O 5.917 -1.724 -2.825 1.00 . A A . 24 THR OG1 1 1 9 3408 1 1 25 MET C C 4.100 -2.113 3.595 1.00 . A A . 25 MET C 1 1 9 3409 1 1 25 MET CA C 5.361 -1.596 2.901 1.00 . A A . 25 MET CA 1 1 9 3410 1 1 25 MET CB C 5.663 -0.161 3.334 1.00 . A A . 25 MET CB 1 1 9 3411 1 1 25 MET CE C 8.755 1.873 4.046 1.00 . A A . 25 MET CE 1 1 9 3412 1 1 25 MET CG C 6.990 0.291 2.721 1.00 . A A . 25 MET CG 1 1 9 3413 1 1 25 MET H H 5.076 -0.656 0.997 1.00 . A A . 25 MET H 1 1 9 3414 1 1 25 MET HA H 6.196 -2.225 3.119 1.00 . A A . 25 MET HA 1 1 9 3415 1 1 25 MET HB2 H 4.869 0.491 3.000 1.00 . A A . 25 MET HB2 1 1 9 3416 1 1 25 MET HB3 H 5.733 -0.118 4.411 1.00 . A A . 25 MET HB3 1 1 9 3417 1 1 25 MET HE1 H 7.884 2.477 3.832 1.00 . A A . 25 MET HE1 1 1 9 3418 1 1 25 MET HE2 H 9.526 2.090 3.326 1.00 . A A . 25 MET HE2 1 1 9 3419 1 1 25 MET HE3 H 9.119 2.096 5.039 1.00 . A A . 25 MET HE3 1 1 9 3420 1 1 25 MET HG2 H 7.217 -0.322 1.862 1.00 . A A . 25 MET HG2 1 1 9 3421 1 1 25 MET HG3 H 6.912 1.324 2.416 1.00 . A A . 25 MET HG3 1 1 9 3422 1 1 25 MET N N 5.152 -1.523 1.431 1.00 . A A . 25 MET N 1 1 9 3423 1 1 25 MET O O 4.117 -3.127 4.264 1.00 . A A . 25 MET O 1 1 9 3424 1 1 25 MET SD S 8.309 0.121 3.948 1.00 . A A . 25 MET SD 1 1 9 3425 1 1 26 CYS C C 1.292 -3.204 3.522 1.00 . A A . 26 CYS C 1 1 9 3426 1 1 26 CYS CA C 1.745 -1.859 4.095 1.00 . A A . 26 CYS CA 1 1 9 3427 1 1 26 CYS CB C 0.728 -0.766 3.766 1.00 . A A . 26 CYS CB 1 1 9 3428 1 1 26 CYS H H 3.026 -0.603 2.901 1.00 . A A . 26 CYS H 1 1 9 3429 1 1 26 CYS HA H 1.877 -1.929 5.163 1.00 . A A . 26 CYS HA 1 1 9 3430 1 1 26 CYS HB2 H 1.144 0.199 4.016 1.00 . A A . 26 CYS HB2 1 1 9 3431 1 1 26 CYS HB3 H 0.496 -0.795 2.712 1.00 . A A . 26 CYS HB3 1 1 9 3432 1 1 26 CYS N N 3.011 -1.418 3.444 1.00 . A A . 26 CYS N 1 1 9 3433 1 1 26 CYS O O 0.987 -3.321 2.351 1.00 . A A . 26 CYS O 1 1 9 3434 1 1 26 CYS SG S -0.782 -1.040 4.723 1.00 . A A . 26 CYS SG 1 1 9 3435 1 1 27 TYR C C -0.681 -5.532 3.499 1.00 . A A . 27 TYR C 1 1 9 3436 1 1 27 TYR CA C 0.810 -5.557 3.844 1.00 . A A . 27 TYR CA 1 1 9 3437 1 1 27 TYR CB C 1.079 -6.514 5.009 1.00 . A A . 27 TYR CB 1 1 9 3438 1 1 27 TYR CD1 C -0.751 -8.133 5.623 1.00 . A A . 27 TYR CD1 1 1 9 3439 1 1 27 TYR CD2 C 0.703 -8.672 3.759 1.00 . A A . 27 TYR CD2 1 1 9 3440 1 1 27 TYR CE1 C -1.450 -9.330 5.423 1.00 . A A . 27 TYR CE1 1 1 9 3441 1 1 27 TYR CE2 C 0.004 -9.869 3.560 1.00 . A A . 27 TYR CE2 1 1 9 3442 1 1 27 TYR CG C 0.325 -7.804 4.791 1.00 . A A . 27 TYR CG 1 1 9 3443 1 1 27 TYR CZ C -1.073 -10.197 4.392 1.00 . A A . 27 TYR CZ 1 1 9 3444 1 1 27 TYR H H 1.495 -4.104 5.280 1.00 . A A . 27 TYR H 1 1 9 3445 1 1 27 TYR HA H 1.392 -5.850 2.985 1.00 . A A . 27 TYR HA 1 1 9 3446 1 1 27 TYR HB2 H 2.139 -6.720 5.065 1.00 . A A . 27 TYR HB2 1 1 9 3447 1 1 27 TYR HB3 H 0.750 -6.057 5.931 1.00 . A A . 27 TYR HB3 1 1 9 3448 1 1 27 TYR HD1 H -1.043 -7.464 6.419 1.00 . A A . 27 TYR HD1 1 1 9 3449 1 1 27 TYR HD2 H 1.533 -8.418 3.117 1.00 . A A . 27 TYR HD2 1 1 9 3450 1 1 27 TYR HE1 H -2.281 -9.584 6.066 1.00 . A A . 27 TYR HE1 1 1 9 3451 1 1 27 TYR HE2 H 0.295 -10.538 2.764 1.00 . A A . 27 TYR HE2 1 1 9 3452 1 1 27 TYR HH H -2.031 -11.710 5.054 1.00 . A A . 27 TYR HH 1 1 9 3453 1 1 27 TYR N N 1.245 -4.220 4.339 1.00 . A A . 27 TYR N 1 1 9 3454 1 1 27 TYR O O -1.449 -5.042 4.310 1.00 . A A . 27 TYR O 1 1 9 3455 1 1 27 TYR OXT O -1.030 -6.003 2.428 1.00 . A A . 27 TYR OXT 1 1 9 3456 1 1 27 TYR OH O -1.762 -11.377 4.196 1.00 . A A . 27 TYR OH 1 1 10 3457 1 1 1 GLY C C -5.486 -6.147 4.772 1.00 . A A . 1 GLY C 1 1 10 3458 1 1 1 GLY CA C -6.408 -7.363 4.676 1.00 . A A . 1 GLY CA 1 1 10 3459 1 1 1 GLY H1 H -6.259 -6.957 2.638 1.00 . A A . 1 GLY H1 1 1 10 3460 1 1 1 GLY H2 H -7.621 -7.880 3.063 1.00 . A A . 1 GLY H2 1 1 10 3461 1 1 1 GLY H3 H -6.081 -8.598 3.031 1.00 . A A . 1 GLY H3 1 1 10 3462 1 1 1 GLY HA2 H -7.364 -7.128 5.123 1.00 . A A . 1 GLY HA2 1 1 10 3463 1 1 1 GLY HA3 H -5.959 -8.194 5.199 1.00 . A A . 1 GLY HA3 1 1 10 3464 1 1 1 GLY N N -6.607 -7.727 3.244 1.00 . A A . 1 GLY N 1 1 10 3465 1 1 1 GLY O O -5.791 -5.174 5.433 1.00 . A A . 1 GLY O 1 1 10 3466 1 1 2 GLY C C -3.508 -4.242 2.870 1.00 . A A . 2 GLY C 1 1 10 3467 1 1 2 GLY CA C -3.415 -5.040 4.172 1.00 . A A . 2 GLY CA 1 1 10 3468 1 1 2 GLY H H -4.129 -6.987 3.589 1.00 . A A . 2 GLY H 1 1 10 3469 1 1 2 GLY HA2 H -3.675 -4.403 5.005 1.00 . A A . 2 GLY HA2 1 1 10 3470 1 1 2 GLY HA3 H -2.407 -5.403 4.295 1.00 . A A . 2 GLY HA3 1 1 10 3471 1 1 2 GLY N N -4.357 -6.193 4.117 1.00 . A A . 2 GLY N 1 1 10 3472 1 1 2 GLY O O -4.200 -3.246 2.789 1.00 . A A . 2 GLY O 1 1 10 3473 1 1 3 LEU C C -4.308 -3.531 0.233 1.00 . A A . 3 LEU C 1 1 10 3474 1 1 3 LEU CA C -2.868 -3.938 0.552 1.00 . A A . 3 LEU CA 1 1 10 3475 1 1 3 LEU CB C -2.350 -4.933 -0.487 1.00 . A A . 3 LEU CB 1 1 10 3476 1 1 3 LEU CD1 C -1.135 -7.012 0.177 1.00 . A A . 3 LEU CD1 1 1 10 3477 1 1 3 LEU CD2 C 0.055 -5.220 -1.093 1.00 . A A . 3 LEU CD2 1 1 10 3478 1 1 3 LEU CG C -1.006 -5.501 -0.028 1.00 . A A . 3 LEU CG 1 1 10 3479 1 1 3 LEU H H -2.267 -5.478 1.937 1.00 . A A . 3 LEU H 1 1 10 3480 1 1 3 LEU HA H -2.230 -3.072 0.584 1.00 . A A . 3 LEU HA 1 1 10 3481 1 1 3 LEU HB2 H -3.062 -5.738 -0.601 1.00 . A A . 3 LEU HB2 1 1 10 3482 1 1 3 LEU HB3 H -2.221 -4.431 -1.434 1.00 . A A . 3 LEU HB3 1 1 10 3483 1 1 3 LEU HD11 H -0.594 -7.528 -0.602 1.00 . A A . 3 LEU HD11 1 1 10 3484 1 1 3 LEU HD12 H -2.176 -7.293 0.141 1.00 . A A . 3 LEU HD12 1 1 10 3485 1 1 3 LEU HD13 H -0.723 -7.280 1.139 1.00 . A A . 3 LEU HD13 1 1 10 3486 1 1 3 LEU HD21 H 0.080 -6.034 -1.801 1.00 . A A . 3 LEU HD21 1 1 10 3487 1 1 3 LEU HD22 H 1.022 -5.123 -0.620 1.00 . A A . 3 LEU HD22 1 1 10 3488 1 1 3 LEU HD23 H -0.186 -4.302 -1.607 1.00 . A A . 3 LEU HD23 1 1 10 3489 1 1 3 LEU HG H -0.718 -5.034 0.904 1.00 . A A . 3 LEU HG 1 1 10 3490 1 1 3 LEU N N -2.817 -4.672 1.850 1.00 . A A . 3 LEU N 1 1 10 3491 1 1 3 LEU O O -4.561 -2.468 -0.298 1.00 . A A . 3 LEU O 1 1 10 3492 1 1 4 GLY C C -6.994 -2.636 0.769 1.00 . A A . 4 GLY C 1 1 10 3493 1 1 4 GLY CA C -6.672 -4.046 0.270 1.00 . A A . 4 GLY CA 1 1 10 3494 1 1 4 GLY H H -5.020 -5.221 0.975 1.00 . A A . 4 GLY H 1 1 10 3495 1 1 4 GLY HA2 H -6.843 -4.101 -0.794 1.00 . A A . 4 GLY HA2 1 1 10 3496 1 1 4 GLY HA3 H -7.311 -4.756 0.776 1.00 . A A . 4 GLY HA3 1 1 10 3497 1 1 4 GLY N N -5.249 -4.372 0.553 1.00 . A A . 4 GLY N 1 1 10 3498 1 1 4 GLY O O -7.876 -1.974 0.258 1.00 . A A . 4 GLY O 1 1 10 3499 1 1 5 ARG C C -5.300 0.048 2.297 1.00 . A A . 5 ARG C 1 1 10 3500 1 1 5 ARG CA C -6.573 -0.803 2.296 1.00 . A A . 5 ARG CA 1 1 10 3501 1 1 5 ARG CB C -7.072 -1.025 3.723 1.00 . A A . 5 ARG CB 1 1 10 3502 1 1 5 ARG CD C -9.311 0.007 3.313 1.00 . A A . 5 ARG CD 1 1 10 3503 1 1 5 ARG CG C -8.014 0.115 4.117 1.00 . A A . 5 ARG CG 1 1 10 3504 1 1 5 ARG CZ C -9.684 2.064 2.093 1.00 . A A . 5 ARG CZ 1 1 10 3505 1 1 5 ARG H H -5.589 -2.718 2.172 1.00 . A A . 5 ARG H 1 1 10 3506 1 1 5 ARG HA H -7.342 -0.326 1.710 1.00 . A A . 5 ARG HA 1 1 10 3507 1 1 5 ARG HB2 H -7.601 -1.966 3.777 1.00 . A A . 5 ARG HB2 1 1 10 3508 1 1 5 ARG HB3 H -6.232 -1.045 4.400 1.00 . A A . 5 ARG HB3 1 1 10 3509 1 1 5 ARG HD2 H -9.110 -0.398 2.331 1.00 . A A . 5 ARG HD2 1 1 10 3510 1 1 5 ARG HD3 H -10.028 -0.608 3.835 1.00 . A A . 5 ARG HD3 1 1 10 3511 1 1 5 ARG HE H -10.247 1.826 3.981 1.00 . A A . 5 ARG HE 1 1 10 3512 1 1 5 ARG HG2 H -8.236 0.048 5.173 1.00 . A A . 5 ARG HG2 1 1 10 3513 1 1 5 ARG HG3 H -7.540 1.062 3.907 1.00 . A A . 5 ARG HG3 1 1 10 3514 1 1 5 ARG HH11 H -11.434 1.452 1.344 1.00 . A A . 5 ARG HH11 1 1 10 3515 1 1 5 ARG HH12 H -10.515 2.515 0.333 1.00 . A A . 5 ARG HH12 1 1 10 3516 1 1 5 ARG HH21 H -7.897 2.823 2.571 1.00 . A A . 5 ARG HH21 1 1 10 3517 1 1 5 ARG HH22 H -8.514 3.285 1.021 1.00 . A A . 5 ARG HH22 1 1 10 3518 1 1 5 ARG N N -6.293 -2.170 1.768 1.00 . A A . 5 ARG N 1 1 10 3519 1 1 5 ARG NE N -9.816 1.403 3.209 1.00 . A A . 5 ARG NE 1 1 10 3520 1 1 5 ARG NH1 N -10.616 2.005 1.185 1.00 . A A . 5 ARG NH1 1 1 10 3521 1 1 5 ARG NH2 N -8.615 2.780 1.879 1.00 . A A . 5 ARG NH2 1 1 10 3522 1 1 5 ARG O O -5.354 1.258 2.195 1.00 . A A . 5 ARG O 1 1 10 3523 1 1 6 CYS C C -2.893 1.210 1.252 1.00 . A A . 6 CYS C 1 1 10 3524 1 1 6 CYS CA C -2.891 0.217 2.414 1.00 . A A . 6 CYS CA 1 1 10 3525 1 1 6 CYS CB C -1.783 -0.820 2.240 1.00 . A A . 6 CYS CB 1 1 10 3526 1 1 6 CYS H H -4.128 -1.543 2.488 1.00 . A A . 6 CYS H 1 1 10 3527 1 1 6 CYS HA H -2.770 0.734 3.352 1.00 . A A . 6 CYS HA 1 1 10 3528 1 1 6 CYS HB2 H -1.976 -1.407 1.355 1.00 . A A . 6 CYS HB2 1 1 10 3529 1 1 6 CYS HB3 H -0.833 -0.319 2.141 1.00 . A A . 6 CYS HB3 1 1 10 3530 1 1 6 CYS N N -4.157 -0.568 2.410 1.00 . A A . 6 CYS N 1 1 10 3531 1 1 6 CYS O O -3.333 2.334 1.387 1.00 . A A . 6 CYS O 1 1 10 3532 1 1 6 CYS SG S -1.749 -1.902 3.692 1.00 . A A . 6 CYS SG 1 1 10 3533 1 1 7 ILE C C -3.740 2.453 -1.141 1.00 . A A . 7 ILE C 1 1 10 3534 1 1 7 ILE CA C -2.407 1.720 -1.059 1.00 . A A . 7 ILE CA 1 1 10 3535 1 1 7 ILE CB C -2.200 0.808 -2.262 1.00 . A A . 7 ILE CB 1 1 10 3536 1 1 7 ILE CD1 C -0.780 -1.126 -1.583 1.00 . A A . 7 ILE CD1 1 1 10 3537 1 1 7 ILE CG1 C -0.788 0.268 -2.214 1.00 . A A . 7 ILE CG1 1 1 10 3538 1 1 7 ILE CG2 C -2.391 1.595 -3.558 1.00 . A A . 7 ILE CG2 1 1 10 3539 1 1 7 ILE H H -2.074 -0.109 0.014 1.00 . A A . 7 ILE H 1 1 10 3540 1 1 7 ILE HA H -1.593 2.422 -0.981 1.00 . A A . 7 ILE HA 1 1 10 3541 1 1 7 ILE HB H -2.893 -0.007 -2.222 1.00 . A A . 7 ILE HB 1 1 10 3542 1 1 7 ILE HD11 H -0.453 -1.055 -0.555 1.00 . A A . 7 ILE HD11 1 1 10 3543 1 1 7 ILE HD12 H -0.105 -1.765 -2.132 1.00 . A A . 7 ILE HD12 1 1 10 3544 1 1 7 ILE HD13 H -1.776 -1.541 -1.615 1.00 . A A . 7 ILE HD13 1 1 10 3545 1 1 7 ILE HG12 H -0.398 0.212 -3.210 1.00 . A A . 7 ILE HG12 1 1 10 3546 1 1 7 ILE HG13 H -0.190 0.937 -1.624 1.00 . A A . 7 ILE HG13 1 1 10 3547 1 1 7 ILE HG21 H -2.812 2.563 -3.335 1.00 . A A . 7 ILE HG21 1 1 10 3548 1 1 7 ILE HG22 H -3.057 1.053 -4.214 1.00 . A A . 7 ILE HG22 1 1 10 3549 1 1 7 ILE HG23 H -1.434 1.722 -4.045 1.00 . A A . 7 ILE HG23 1 1 10 3550 1 1 7 ILE N N -2.417 0.801 0.108 1.00 . A A . 7 ILE N 1 1 10 3551 1 1 7 ILE O O -3.788 3.641 -1.367 1.00 . A A . 7 ILE O 1 1 10 3552 1 1 8 TYR C C -6.050 3.758 -0.193 1.00 . A A . 8 TYR C 1 1 10 3553 1 1 8 TYR CA C -6.142 2.455 -0.983 1.00 . A A . 8 TYR CA 1 1 10 3554 1 1 8 TYR CB C -7.134 1.494 -0.329 1.00 . A A . 8 TYR CB 1 1 10 3555 1 1 8 TYR CD1 C -9.455 0.735 -0.935 1.00 . A A . 8 TYR CD1 1 1 10 3556 1 1 8 TYR CD2 C -8.851 3.052 -1.319 1.00 . A A . 8 TYR CD2 1 1 10 3557 1 1 8 TYR CE1 C -10.734 0.983 -1.451 1.00 . A A . 8 TYR CE1 1 1 10 3558 1 1 8 TYR CE2 C -10.130 3.302 -1.833 1.00 . A A . 8 TYR CE2 1 1 10 3559 1 1 8 TYR CG C -8.515 1.768 -0.870 1.00 . A A . 8 TYR CG 1 1 10 3560 1 1 8 TYR CZ C -11.072 2.266 -1.901 1.00 . A A . 8 TYR CZ 1 1 10 3561 1 1 8 TYR H H -4.771 0.806 -0.739 1.00 . A A . 8 TYR H 1 1 10 3562 1 1 8 TYR HA H -6.434 2.651 -1.998 1.00 . A A . 8 TYR HA 1 1 10 3563 1 1 8 TYR HB2 H -6.852 0.476 -0.556 1.00 . A A . 8 TYR HB2 1 1 10 3564 1 1 8 TYR HB3 H -7.131 1.638 0.740 1.00 . A A . 8 TYR HB3 1 1 10 3565 1 1 8 TYR HD1 H -9.193 -0.252 -0.585 1.00 . A A . 8 TYR HD1 1 1 10 3566 1 1 8 TYR HD2 H -8.124 3.851 -1.264 1.00 . A A . 8 TYR HD2 1 1 10 3567 1 1 8 TYR HE1 H -11.460 0.185 -1.501 1.00 . A A . 8 TYR HE1 1 1 10 3568 1 1 8 TYR HE2 H -10.389 4.291 -2.178 1.00 . A A . 8 TYR HE2 1 1 10 3569 1 1 8 TYR HH H -12.736 3.201 -1.877 1.00 . A A . 8 TYR HH 1 1 10 3570 1 1 8 TYR N N -4.825 1.764 -0.936 1.00 . A A . 8 TYR N 1 1 10 3571 1 1 8 TYR O O -6.053 4.835 -0.750 1.00 . A A . 8 TYR O 1 1 10 3572 1 1 8 TYR OH O -12.331 2.511 -2.408 1.00 . A A . 8 TYR OH 1 1 10 3573 1 1 9 ASN C C -4.493 5.562 1.719 1.00 . A A . 9 ASN C 1 1 10 3574 1 1 9 ASN CA C -5.849 4.882 1.934 1.00 . A A . 9 ASN CA 1 1 10 3575 1 1 9 ASN CB C -5.969 4.371 3.367 1.00 . A A . 9 ASN CB 1 1 10 3576 1 1 9 ASN CG C -6.935 5.257 4.151 1.00 . A A . 9 ASN CG 1 1 10 3577 1 1 9 ASN H H -5.946 2.791 1.523 1.00 . A A . 9 ASN H 1 1 10 3578 1 1 9 ASN HA H -6.653 5.554 1.713 1.00 . A A . 9 ASN HA 1 1 10 3579 1 1 9 ASN HB2 H -6.336 3.356 3.356 1.00 . A A . 9 ASN HB2 1 1 10 3580 1 1 9 ASN HB3 H -5.002 4.393 3.833 1.00 . A A . 9 ASN HB3 1 1 10 3581 1 1 9 ASN HD21 H -8.551 4.474 3.306 1.00 . A A . 9 ASN HD21 1 1 10 3582 1 1 9 ASN HD22 H -8.846 5.692 4.447 1.00 . A A . 9 ASN HD22 1 1 10 3583 1 1 9 ASN N N -5.954 3.665 1.098 1.00 . A A . 9 ASN N 1 1 10 3584 1 1 9 ASN ND2 N -8.217 5.131 3.951 1.00 . A A . 9 ASN ND2 1 1 10 3585 1 1 9 ASN O O -4.384 6.773 1.716 1.00 . A A . 9 ASN O 1 1 10 3586 1 1 9 ASN OD1 O -6.520 6.070 4.952 1.00 . A A . 9 ASN OD1 1 1 10 3587 1 1 10 CYS C C -2.047 6.190 0.065 1.00 . A A . 10 CYS C 1 1 10 3588 1 1 10 CYS CA C -2.103 5.365 1.351 1.00 . A A . 10 CYS CA 1 1 10 3589 1 1 10 CYS CB C -1.178 4.151 1.244 1.00 . A A . 10 CYS CB 1 1 10 3590 1 1 10 CYS H H -3.570 3.819 1.568 1.00 . A A . 10 CYS H 1 1 10 3591 1 1 10 CYS HA H -1.828 5.962 2.191 1.00 . A A . 10 CYS HA 1 1 10 3592 1 1 10 CYS HB2 H -1.513 3.383 1.923 1.00 . A A . 10 CYS HB2 1 1 10 3593 1 1 10 CYS HB3 H -1.202 3.771 0.234 1.00 . A A . 10 CYS HB3 1 1 10 3594 1 1 10 CYS N N -3.458 4.787 1.552 1.00 . A A . 10 CYS N 1 1 10 3595 1 1 10 CYS O O -1.489 7.268 0.025 1.00 . A A . 10 CYS O 1 1 10 3596 1 1 10 CYS SG S 0.517 4.632 1.666 1.00 . A A . 10 CYS SG 1 1 10 3597 1 1 11 MET C C -3.797 7.290 -2.475 1.00 . A A . 11 MET C 1 1 10 3598 1 1 11 MET CA C -2.564 6.401 -2.286 1.00 . A A . 11 MET CA 1 1 10 3599 1 1 11 MET CB C -2.525 5.291 -3.324 1.00 . A A . 11 MET CB 1 1 10 3600 1 1 11 MET CE C 0.828 6.277 -2.461 1.00 . A A . 11 MET CE 1 1 10 3601 1 1 11 MET CG C -1.170 4.592 -3.230 1.00 . A A . 11 MET CG 1 1 10 3602 1 1 11 MET H H -3.025 4.794 -0.933 1.00 . A A . 11 MET H 1 1 10 3603 1 1 11 MET HA H -1.668 6.983 -2.359 1.00 . A A . 11 MET HA 1 1 10 3604 1 1 11 MET HB2 H -3.317 4.585 -3.131 1.00 . A A . 11 MET HB2 1 1 10 3605 1 1 11 MET HB3 H -2.643 5.712 -4.309 1.00 . A A . 11 MET HB3 1 1 10 3606 1 1 11 MET HE1 H 0.148 6.969 -1.985 1.00 . A A . 11 MET HE1 1 1 10 3607 1 1 11 MET HE2 H 1.750 6.785 -2.692 1.00 . A A . 11 MET HE2 1 1 10 3608 1 1 11 MET HE3 H 1.033 5.448 -1.798 1.00 . A A . 11 MET HE3 1 1 10 3609 1 1 11 MET HG2 H -0.921 4.417 -2.190 1.00 . A A . 11 MET HG2 1 1 10 3610 1 1 11 MET HG3 H -1.214 3.652 -3.749 1.00 . A A . 11 MET HG3 1 1 10 3611 1 1 11 MET N N -2.601 5.675 -0.989 1.00 . A A . 11 MET N 1 1 10 3612 1 1 11 MET O O -3.689 8.430 -2.879 1.00 . A A . 11 MET O 1 1 10 3613 1 1 11 MET SD S 0.084 5.654 -3.989 1.00 . A A . 11 MET SD 1 1 10 3614 1 1 12 ASN C C -5.964 9.028 -1.843 1.00 . A A . 12 ASN C 1 1 10 3615 1 1 12 ASN CA C -6.194 7.612 -2.373 1.00 . A A . 12 ASN CA 1 1 10 3616 1 1 12 ASN CB C -7.279 6.910 -1.556 1.00 . A A . 12 ASN CB 1 1 10 3617 1 1 12 ASN CG C -8.563 7.741 -1.593 1.00 . A A . 12 ASN CG 1 1 10 3618 1 1 12 ASN H H -5.030 5.860 -1.876 1.00 . A A . 12 ASN H 1 1 10 3619 1 1 12 ASN HA H -6.479 7.643 -3.411 1.00 . A A . 12 ASN HA 1 1 10 3620 1 1 12 ASN HB2 H -7.468 5.933 -1.976 1.00 . A A . 12 ASN HB2 1 1 10 3621 1 1 12 ASN HB3 H -6.948 6.806 -0.534 1.00 . A A . 12 ASN HB3 1 1 10 3622 1 1 12 ASN HD21 H -8.785 7.571 -3.558 1.00 . A A . 12 ASN HD21 1 1 10 3623 1 1 12 ASN HD22 H -9.983 8.478 -2.768 1.00 . A A . 12 ASN HD22 1 1 10 3624 1 1 12 ASN N N -4.963 6.783 -2.196 1.00 . A A . 12 ASN N 1 1 10 3625 1 1 12 ASN ND2 N -9.160 7.947 -2.735 1.00 . A A . 12 ASN ND2 1 1 10 3626 1 1 12 ASN O O -5.725 9.954 -2.593 1.00 . A A . 12 ASN O 1 1 10 3627 1 1 12 ASN OD1 O -9.028 8.207 -0.572 1.00 . A A . 12 ASN OD1 1 1 10 3628 1 1 13 SER C C -6.159 10.542 1.527 1.00 . A A . 13 SER C 1 1 10 3629 1 1 13 SER CA C -5.821 10.551 0.033 1.00 . A A . 13 SER CA 1 1 10 3630 1 1 13 SER CB C -6.774 11.471 -0.728 1.00 . A A . 13 SER CB 1 1 10 3631 1 1 13 SER H H -6.225 8.443 0.029 1.00 . A A . 13 SER H 1 1 10 3632 1 1 13 SER HA H -4.805 10.864 -0.120 1.00 . A A . 13 SER HA 1 1 10 3633 1 1 13 SER HB2 H -7.401 10.886 -1.378 1.00 . A A . 13 SER HB2 1 1 10 3634 1 1 13 SER HB3 H -7.394 12.009 -0.021 1.00 . A A . 13 SER HB3 1 1 10 3635 1 1 13 SER HG H -6.205 13.275 -1.187 1.00 . A A . 13 SER HG 1 1 10 3636 1 1 13 SER N N -6.034 9.202 -0.553 1.00 . A A . 13 SER N 1 1 10 3637 1 1 13 SER O O -7.304 10.656 1.915 1.00 . A A . 13 SER O 1 1 10 3638 1 1 13 SER OG O -6.019 12.390 -1.507 1.00 . A A . 13 SER OG 1 1 10 3639 1 1 14 GLY C C -4.109 10.187 4.574 1.00 . A A . 14 GLY C 1 1 10 3640 1 1 14 GLY CA C -5.424 10.394 3.824 1.00 . A A . 14 GLY CA 1 1 10 3641 1 1 14 GLY H H -4.259 10.321 2.038 1.00 . A A . 14 GLY H 1 1 10 3642 1 1 14 GLY HA2 H -5.862 11.332 4.115 1.00 . A A . 14 GLY HA2 1 1 10 3643 1 1 14 GLY HA3 H -6.096 9.587 4.057 1.00 . A A . 14 GLY HA3 1 1 10 3644 1 1 14 GLY N N -5.168 10.409 2.365 1.00 . A A . 14 GLY N 1 1 10 3645 1 1 14 GLY O O -3.795 10.900 5.507 1.00 . A A . 14 GLY O 1 1 10 3646 1 1 15 GLY C C -1.149 8.105 3.957 1.00 . A A . 15 GLY C 1 1 10 3647 1 1 15 GLY CA C -2.044 8.957 4.859 1.00 . A A . 15 GLY CA 1 1 10 3648 1 1 15 GLY H H -3.615 8.657 3.421 1.00 . A A . 15 GLY H 1 1 10 3649 1 1 15 GLY HA2 H -1.553 9.898 5.070 1.00 . A A . 15 GLY HA2 1 1 10 3650 1 1 15 GLY HA3 H -2.227 8.428 5.780 1.00 . A A . 15 GLY HA3 1 1 10 3651 1 1 15 GLY N N -3.339 9.218 4.173 1.00 . A A . 15 GLY N 1 1 10 3652 1 1 15 GLY O O -1.215 6.891 3.969 1.00 . A A . 15 GLY O 1 1 10 3653 1 1 16 GLY C C 1.746 8.859 1.839 1.00 . A A . 16 GLY C 1 1 10 3654 1 1 16 GLY CA C 0.588 7.964 2.282 1.00 . A A . 16 GLY CA 1 1 10 3655 1 1 16 GLY H H -0.269 9.699 3.184 1.00 . A A . 16 GLY H 1 1 10 3656 1 1 16 GLY HA2 H 0.972 7.116 2.819 1.00 . A A . 16 GLY HA2 1 1 10 3657 1 1 16 GLY HA3 H 0.039 7.634 1.414 1.00 . A A . 16 GLY HA3 1 1 10 3658 1 1 16 GLY N N -0.311 8.730 3.178 1.00 . A A . 16 GLY N 1 1 10 3659 1 1 16 GLY O O 1.677 9.529 0.828 1.00 . A A . 16 GLY O 1 1 10 3660 1 1 17 LEU C C 4.499 9.363 0.833 1.00 . A A . 17 LEU C 1 1 10 3661 1 1 17 LEU CA C 3.974 9.728 2.224 1.00 . A A . 17 LEU CA 1 1 10 3662 1 1 17 LEU CB C 5.025 9.449 3.290 1.00 . A A . 17 LEU CB 1 1 10 3663 1 1 17 LEU CD1 C 6.537 7.502 3.038 1.00 . A A . 17 LEU CD1 1 1 10 3664 1 1 17 LEU CD2 C 4.969 7.629 4.977 1.00 . A A . 17 LEU CD2 1 1 10 3665 1 1 17 LEU CG C 5.153 7.947 3.496 1.00 . A A . 17 LEU CG 1 1 10 3666 1 1 17 LEU H H 2.841 8.330 3.407 1.00 . A A . 17 LEU H 1 1 10 3667 1 1 17 LEU HA H 3.702 10.759 2.258 1.00 . A A . 17 LEU HA 1 1 10 3668 1 1 17 LEU HB2 H 5.976 9.853 2.971 1.00 . A A . 17 LEU HB2 1 1 10 3669 1 1 17 LEU HB3 H 4.729 9.913 4.218 1.00 . A A . 17 LEU HB3 1 1 10 3670 1 1 17 LEU HD11 H 6.438 6.677 2.350 1.00 . A A . 17 LEU HD11 1 1 10 3671 1 1 17 LEU HD12 H 7.117 7.196 3.894 1.00 . A A . 17 LEU HD12 1 1 10 3672 1 1 17 LEU HD13 H 7.030 8.327 2.542 1.00 . A A . 17 LEU HD13 1 1 10 3673 1 1 17 LEU HD21 H 4.536 6.646 5.082 1.00 . A A . 17 LEU HD21 1 1 10 3674 1 1 17 LEU HD22 H 4.310 8.363 5.420 1.00 . A A . 17 LEU HD22 1 1 10 3675 1 1 17 LEU HD23 H 5.927 7.660 5.473 1.00 . A A . 17 LEU HD23 1 1 10 3676 1 1 17 LEU HG H 4.402 7.432 2.917 1.00 . A A . 17 LEU HG 1 1 10 3677 1 1 17 LEU N N 2.810 8.875 2.594 1.00 . A A . 17 LEU N 1 1 10 3678 1 1 17 LEU O O 4.944 10.212 0.087 1.00 . A A . 17 LEU O 1 1 10 3679 1 1 18 SER C C 4.025 6.663 -1.491 1.00 . A A . 18 SER C 1 1 10 3680 1 1 18 SER CA C 4.953 7.701 -0.864 1.00 . A A . 18 SER CA 1 1 10 3681 1 1 18 SER CB C 6.325 7.089 -0.603 1.00 . A A . 18 SER CB 1 1 10 3682 1 1 18 SER H H 4.094 7.438 1.090 1.00 . A A . 18 SER H 1 1 10 3683 1 1 18 SER HA H 5.052 8.555 -1.510 1.00 . A A . 18 SER HA 1 1 10 3684 1 1 18 SER HB2 H 6.381 6.751 0.415 1.00 . A A . 18 SER HB2 1 1 10 3685 1 1 18 SER HB3 H 6.471 6.248 -1.265 1.00 . A A . 18 SER HB3 1 1 10 3686 1 1 18 SER HG H 8.172 7.616 -0.916 1.00 . A A . 18 SER HG 1 1 10 3687 1 1 18 SER N N 4.454 8.109 0.477 1.00 . A A . 18 SER N 1 1 10 3688 1 1 18 SER O O 2.956 6.376 -0.988 1.00 . A A . 18 SER O 1 1 10 3689 1 1 18 SER OG O 7.330 8.069 -0.830 1.00 . A A . 18 SER OG 1 1 10 3690 1 1 19 PHE C C 4.381 3.755 -3.323 1.00 . A A . 19 PHE C 1 1 10 3691 1 1 19 PHE CA C 3.606 5.058 -3.259 1.00 . A A . 19 PHE CA 1 1 10 3692 1 1 19 PHE CB C 3.348 5.600 -4.666 1.00 . A A . 19 PHE CB 1 1 10 3693 1 1 19 PHE CD1 C 2.200 4.892 -6.798 1.00 . A A . 19 PHE CD1 1 1 10 3694 1 1 19 PHE CD2 C 1.931 3.503 -4.828 1.00 . A A . 19 PHE CD2 1 1 10 3695 1 1 19 PHE CE1 C 1.389 4.013 -7.527 1.00 . A A . 19 PHE CE1 1 1 10 3696 1 1 19 PHE CE2 C 1.120 2.625 -5.558 1.00 . A A . 19 PHE CE2 1 1 10 3697 1 1 19 PHE CG C 2.472 4.639 -5.448 1.00 . A A . 19 PHE CG 1 1 10 3698 1 1 19 PHE CZ C 0.849 2.880 -6.908 1.00 . A A . 19 PHE CZ 1 1 10 3699 1 1 19 PHE H H 5.310 6.337 -2.958 1.00 . A A . 19 PHE H 1 1 10 3700 1 1 19 PHE HA H 2.678 4.913 -2.737 1.00 . A A . 19 PHE HA 1 1 10 3701 1 1 19 PHE HB2 H 2.854 6.557 -4.594 1.00 . A A . 19 PHE HB2 1 1 10 3702 1 1 19 PHE HB3 H 4.290 5.721 -5.179 1.00 . A A . 19 PHE HB3 1 1 10 3703 1 1 19 PHE HD1 H 2.615 5.766 -7.277 1.00 . A A . 19 PHE HD1 1 1 10 3704 1 1 19 PHE HD2 H 2.137 3.304 -3.787 1.00 . A A . 19 PHE HD2 1 1 10 3705 1 1 19 PHE HE1 H 1.180 4.210 -8.568 1.00 . A A . 19 PHE HE1 1 1 10 3706 1 1 19 PHE HE2 H 0.703 1.751 -5.080 1.00 . A A . 19 PHE HE2 1 1 10 3707 1 1 19 PHE HZ H 0.224 2.203 -7.470 1.00 . A A . 19 PHE HZ 1 1 10 3708 1 1 19 PHE N N 4.438 6.092 -2.583 1.00 . A A . 19 PHE N 1 1 10 3709 1 1 19 PHE O O 3.967 2.753 -2.777 1.00 . A A . 19 PHE O 1 1 10 3710 1 1 20 ILE C C 6.328 1.858 -2.694 1.00 . A A . 20 ILE C 1 1 10 3711 1 1 20 ILE CA C 6.330 2.520 -4.063 1.00 . A A . 20 ILE CA 1 1 10 3712 1 1 20 ILE CB C 7.762 2.932 -4.439 1.00 . A A . 20 ILE CB 1 1 10 3713 1 1 20 ILE CD1 C 7.978 5.407 -4.585 1.00 . A A . 20 ILE CD1 1 1 10 3714 1 1 20 ILE CG1 C 7.753 4.127 -5.392 1.00 . A A . 20 ILE CG1 1 1 10 3715 1 1 20 ILE CG2 C 8.463 1.756 -5.120 1.00 . A A . 20 ILE CG2 1 1 10 3716 1 1 20 ILE H H 5.811 4.599 -4.393 1.00 . A A . 20 ILE H 1 1 10 3717 1 1 20 ILE HA H 5.920 1.851 -4.803 1.00 . A A . 20 ILE HA 1 1 10 3718 1 1 20 ILE HB H 8.302 3.192 -3.539 1.00 . A A . 20 ILE HB 1 1 10 3719 1 1 20 ILE HD11 H 7.638 6.258 -5.154 1.00 . A A . 20 ILE HD11 1 1 10 3720 1 1 20 ILE HD12 H 9.031 5.514 -4.367 1.00 . A A . 20 ILE HD12 1 1 10 3721 1 1 20 ILE HD13 H 7.424 5.348 -3.658 1.00 . A A . 20 ILE HD13 1 1 10 3722 1 1 20 ILE HG12 H 8.545 4.014 -6.119 1.00 . A A . 20 ILE HG12 1 1 10 3723 1 1 20 ILE HG13 H 6.802 4.183 -5.899 1.00 . A A . 20 ILE HG13 1 1 10 3724 1 1 20 ILE HG21 H 9.485 2.026 -5.343 1.00 . A A . 20 ILE HG21 1 1 10 3725 1 1 20 ILE HG22 H 7.947 1.511 -6.036 1.00 . A A . 20 ILE HG22 1 1 10 3726 1 1 20 ILE HG23 H 8.452 0.900 -4.462 1.00 . A A . 20 ILE HG23 1 1 10 3727 1 1 20 ILE N N 5.510 3.769 -3.976 1.00 . A A . 20 ILE N 1 1 10 3728 1 1 20 ILE O O 6.370 0.649 -2.569 1.00 . A A . 20 ILE O 1 1 10 3729 1 1 21 GLN C C 4.952 1.210 -0.188 1.00 . A A . 21 GLN C 1 1 10 3730 1 1 21 GLN CA C 6.203 2.078 -0.300 1.00 . A A . 21 GLN CA 1 1 10 3731 1 1 21 GLN CB C 6.113 3.285 0.636 1.00 . A A . 21 GLN CB 1 1 10 3732 1 1 21 GLN CD C 8.529 3.123 1.253 1.00 . A A . 21 GLN CD 1 1 10 3733 1 1 21 GLN CG C 7.452 4.025 0.649 1.00 . A A . 21 GLN CG 1 1 10 3734 1 1 21 GLN H H 6.189 3.624 -1.793 1.00 . A A . 21 GLN H 1 1 10 3735 1 1 21 GLN HA H 7.094 1.507 -0.099 1.00 . A A . 21 GLN HA 1 1 10 3736 1 1 21 GLN HB2 H 5.337 3.951 0.289 1.00 . A A . 21 GLN HB2 1 1 10 3737 1 1 21 GLN HB3 H 5.880 2.951 1.635 1.00 . A A . 21 GLN HB3 1 1 10 3738 1 1 21 GLN HE21 H 9.361 2.707 -0.502 1.00 . A A . 21 GLN HE21 1 1 10 3739 1 1 21 GLN HE22 H 10.096 1.977 0.842 1.00 . A A . 21 GLN HE22 1 1 10 3740 1 1 21 GLN HG2 H 7.728 4.288 -0.361 1.00 . A A . 21 GLN HG2 1 1 10 3741 1 1 21 GLN HG3 H 7.362 4.922 1.243 1.00 . A A . 21 GLN HG3 1 1 10 3742 1 1 21 GLN N N 6.246 2.651 -1.664 1.00 . A A . 21 GLN N 1 1 10 3743 1 1 21 GLN NE2 N 9.401 2.555 0.466 1.00 . A A . 21 GLN NE2 1 1 10 3744 1 1 21 GLN O O 4.999 0.007 -0.349 1.00 . A A . 21 GLN O 1 1 10 3745 1 1 21 GLN OE1 O 8.579 2.934 2.452 1.00 . A A . 21 GLN OE1 1 1 10 3746 1 1 22 CYS C C 2.363 0.207 -1.105 1.00 . A A . 22 CYS C 1 1 10 3747 1 1 22 CYS CA C 2.559 1.056 0.155 1.00 . A A . 22 CYS CA 1 1 10 3748 1 1 22 CYS CB C 1.459 2.117 0.257 1.00 . A A . 22 CYS CB 1 1 10 3749 1 1 22 CYS H H 3.814 2.792 0.164 1.00 . A A . 22 CYS H 1 1 10 3750 1 1 22 CYS HA H 2.557 0.434 1.036 1.00 . A A . 22 CYS HA 1 1 10 3751 1 1 22 CYS HB2 H 1.626 2.879 -0.491 1.00 . A A . 22 CYS HB2 1 1 10 3752 1 1 22 CYS HB3 H 0.496 1.654 0.094 1.00 . A A . 22 CYS HB3 1 1 10 3753 1 1 22 CYS N N 3.826 1.823 0.058 1.00 . A A . 22 CYS N 1 1 10 3754 1 1 22 CYS O O 1.710 -0.816 -1.068 1.00 . A A . 22 CYS O 1 1 10 3755 1 1 22 CYS SG S 1.493 2.876 1.902 1.00 . A A . 22 CYS SG 1 1 10 3756 1 1 23 LYS C C 2.812 -1.664 -3.178 1.00 . A A . 23 LYS C 1 1 10 3757 1 1 23 LYS CA C 2.755 -0.167 -3.479 1.00 . A A . 23 LYS CA 1 1 10 3758 1 1 23 LYS CB C 3.943 0.227 -4.367 1.00 . A A . 23 LYS CB 1 1 10 3759 1 1 23 LYS CD C 2.482 -0.713 -6.181 1.00 . A A . 23 LYS CD 1 1 10 3760 1 1 23 LYS CE C 2.352 -0.810 -7.703 1.00 . A A . 23 LYS CE 1 1 10 3761 1 1 23 LYS CG C 3.484 0.389 -5.821 1.00 . A A . 23 LYS CG 1 1 10 3762 1 1 23 LYS H H 3.441 1.459 -2.234 1.00 . A A . 23 LYS H 1 1 10 3763 1 1 23 LYS HA H 1.827 0.087 -3.965 1.00 . A A . 23 LYS HA 1 1 10 3764 1 1 23 LYS HB2 H 4.359 1.158 -4.018 1.00 . A A . 23 LYS HB2 1 1 10 3765 1 1 23 LYS HB3 H 4.696 -0.544 -4.316 1.00 . A A . 23 LYS HB3 1 1 10 3766 1 1 23 LYS HD2 H 2.831 -1.657 -5.787 1.00 . A A . 23 LYS HD2 1 1 10 3767 1 1 23 LYS HD3 H 1.520 -0.477 -5.753 1.00 . A A . 23 LYS HD3 1 1 10 3768 1 1 23 LYS HE2 H 1.314 -0.916 -7.984 1.00 . A A . 23 LYS HE2 1 1 10 3769 1 1 23 LYS HE3 H 2.786 0.058 -8.174 1.00 . A A . 23 LYS HE3 1 1 10 3770 1 1 23 LYS HG2 H 3.018 1.354 -5.945 1.00 . A A . 23 LYS HG2 1 1 10 3771 1 1 23 LYS HG3 H 4.340 0.320 -6.475 1.00 . A A . 23 LYS HG3 1 1 10 3772 1 1 23 LYS HZ1 H 4.131 -1.875 -7.885 1.00 . A A . 23 LYS HZ1 1 1 10 3773 1 1 23 LYS HZ2 H 2.984 -2.230 -9.087 1.00 . A A . 23 LYS HZ2 1 1 10 3774 1 1 23 LYS HZ3 H 2.785 -2.837 -7.512 1.00 . A A . 23 LYS HZ3 1 1 10 3775 1 1 23 LYS N N 2.919 0.624 -2.221 1.00 . A A . 23 LYS N 1 1 10 3776 1 1 23 LYS NZ N 3.121 -2.030 -8.075 1.00 . A A . 23 LYS NZ 1 1 10 3777 1 1 23 LYS O O 1.926 -2.416 -3.534 1.00 . A A . 23 LYS O 1 1 10 3778 1 1 24 THR C C 4.570 -3.765 -0.810 1.00 . A A . 24 THR C 1 1 10 3779 1 1 24 THR CA C 3.973 -3.552 -2.208 1.00 . A A . 24 THR CA 1 1 10 3780 1 1 24 THR CB C 4.909 -4.113 -3.279 1.00 . A A . 24 THR CB 1 1 10 3781 1 1 24 THR CG2 C 6.224 -3.335 -3.269 1.00 . A A . 24 THR CG2 1 1 10 3782 1 1 24 THR H H 4.556 -1.476 -2.258 1.00 . A A . 24 THR H 1 1 10 3783 1 1 24 THR HA H 3.011 -4.031 -2.279 1.00 . A A . 24 THR HA 1 1 10 3784 1 1 24 THR HB H 4.446 -4.014 -4.249 1.00 . A A . 24 THR HB 1 1 10 3785 1 1 24 THR HG1 H 5.341 -5.578 -2.075 1.00 . A A . 24 THR HG1 1 1 10 3786 1 1 24 THR HG21 H 6.629 -3.327 -2.267 1.00 . A A . 24 THR HG21 1 1 10 3787 1 1 24 THR HG22 H 6.045 -2.321 -3.593 1.00 . A A . 24 THR HG22 1 1 10 3788 1 1 24 THR HG23 H 6.928 -3.809 -3.937 1.00 . A A . 24 THR HG23 1 1 10 3789 1 1 24 THR N N 3.853 -2.101 -2.528 1.00 . A A . 24 THR N 1 1 10 3790 1 1 24 THR O O 4.718 -4.885 -0.363 1.00 . A A . 24 THR O 1 1 10 3791 1 1 24 THR OG1 O 5.163 -5.486 -3.013 1.00 . A A . 24 THR OG1 1 1 10 3792 1 1 25 MET C C 4.408 -3.404 2.196 1.00 . A A . 25 MET C 1 1 10 3793 1 1 25 MET CA C 5.492 -2.902 1.244 1.00 . A A . 25 MET CA 1 1 10 3794 1 1 25 MET CB C 6.022 -1.522 1.661 1.00 . A A . 25 MET CB 1 1 10 3795 1 1 25 MET CE C 4.052 1.535 3.600 1.00 . A A . 25 MET CE 1 1 10 3796 1 1 25 MET CG C 4.896 -0.676 2.265 1.00 . A A . 25 MET CG 1 1 10 3797 1 1 25 MET H H 4.796 -1.818 -0.463 1.00 . A A . 25 MET H 1 1 10 3798 1 1 25 MET HA H 6.301 -3.602 1.197 1.00 . A A . 25 MET HA 1 1 10 3799 1 1 25 MET HB2 H 6.805 -1.648 2.394 1.00 . A A . 25 MET HB2 1 1 10 3800 1 1 25 MET HB3 H 6.422 -1.017 0.795 1.00 . A A . 25 MET HB3 1 1 10 3801 1 1 25 MET HE1 H 3.874 2.500 3.146 1.00 . A A . 25 MET HE1 1 1 10 3802 1 1 25 MET HE2 H 4.129 1.653 4.669 1.00 . A A . 25 MET HE2 1 1 10 3803 1 1 25 MET HE3 H 3.235 0.866 3.370 1.00 . A A . 25 MET HE3 1 1 10 3804 1 1 25 MET HG2 H 4.176 -0.429 1.501 1.00 . A A . 25 MET HG2 1 1 10 3805 1 1 25 MET HG3 H 4.411 -1.233 3.047 1.00 . A A . 25 MET HG3 1 1 10 3806 1 1 25 MET N N 4.916 -2.715 -0.109 1.00 . A A . 25 MET N 1 1 10 3807 1 1 25 MET O O 4.617 -4.315 2.972 1.00 . A A . 25 MET O 1 1 10 3808 1 1 25 MET SD S 5.595 0.844 2.954 1.00 . A A . 25 MET SD 1 1 10 3809 1 1 26 CYS C C 2.065 -4.791 3.047 1.00 . A A . 26 CYS C 1 1 10 3810 1 1 26 CYS CA C 2.139 -3.260 3.027 1.00 . A A . 26 CYS CA 1 1 10 3811 1 1 26 CYS CB C 0.875 -2.666 2.406 1.00 . A A . 26 CYS CB 1 1 10 3812 1 1 26 CYS H H 3.103 -2.084 1.495 1.00 . A A . 26 CYS H 1 1 10 3813 1 1 26 CYS HA H 2.279 -2.874 4.024 1.00 . A A . 26 CYS HA 1 1 10 3814 1 1 26 CYS HB2 H 0.844 -1.605 2.598 1.00 . A A . 26 CYS HB2 1 1 10 3815 1 1 26 CYS HB3 H 0.884 -2.838 1.339 1.00 . A A . 26 CYS HB3 1 1 10 3816 1 1 26 CYS N N 3.247 -2.817 2.133 1.00 . A A . 26 CYS N 1 1 10 3817 1 1 26 CYS O O 2.241 -5.443 2.036 1.00 . A A . 26 CYS O 1 1 10 3818 1 1 26 CYS SG S -0.586 -3.452 3.130 1.00 . A A . 26 CYS SG 1 1 10 3819 1 1 27 TYR C C 0.296 -7.285 4.630 1.00 . A A . 27 TYR C 1 1 10 3820 1 1 27 TYR CA C 1.719 -6.856 4.265 1.00 . A A . 27 TYR CA 1 1 10 3821 1 1 27 TYR CB C 2.698 -7.253 5.370 1.00 . A A . 27 TYR CB 1 1 10 3822 1 1 27 TYR CD1 C 3.895 -9.111 4.158 1.00 . A A . 27 TYR CD1 1 1 10 3823 1 1 27 TYR CD2 C 2.590 -9.655 6.128 1.00 . A A . 27 TYR CD2 1 1 10 3824 1 1 27 TYR CE1 C 4.240 -10.460 4.013 1.00 . A A . 27 TYR CE1 1 1 10 3825 1 1 27 TYR CE2 C 2.936 -11.005 5.984 1.00 . A A . 27 TYR CE2 1 1 10 3826 1 1 27 TYR CG C 3.070 -8.708 5.215 1.00 . A A . 27 TYR CG 1 1 10 3827 1 1 27 TYR CZ C 3.761 -11.407 4.927 1.00 . A A . 27 TYR CZ 1 1 10 3828 1 1 27 TYR H H 1.664 -4.827 4.991 1.00 . A A . 27 TYR H 1 1 10 3829 1 1 27 TYR HA H 2.019 -7.300 3.329 1.00 . A A . 27 TYR HA 1 1 10 3830 1 1 27 TYR HB2 H 3.589 -6.644 5.297 1.00 . A A . 27 TYR HB2 1 1 10 3831 1 1 27 TYR HB3 H 2.234 -7.102 6.334 1.00 . A A . 27 TYR HB3 1 1 10 3832 1 1 27 TYR HD1 H 4.265 -8.380 3.453 1.00 . A A . 27 TYR HD1 1 1 10 3833 1 1 27 TYR HD2 H 1.954 -9.345 6.943 1.00 . A A . 27 TYR HD2 1 1 10 3834 1 1 27 TYR HE1 H 4.876 -10.770 3.197 1.00 . A A . 27 TYR HE1 1 1 10 3835 1 1 27 TYR HE2 H 2.566 -11.735 6.689 1.00 . A A . 27 TYR HE2 1 1 10 3836 1 1 27 TYR HH H 5.010 -12.779 4.474 1.00 . A A . 27 TYR HH 1 1 10 3837 1 1 27 TYR N N 1.805 -5.369 4.187 1.00 . A A . 27 TYR N 1 1 10 3838 1 1 27 TYR O O 0.111 -8.450 4.944 1.00 . A A . 27 TYR O 1 1 10 3839 1 1 27 TYR OXT O -0.585 -6.442 4.587 1.00 . A A . 27 TYR OXT 1 1 10 3840 1 1 27 TYR OH O 4.102 -12.737 4.784 1.00 . A A . 27 TYR OH 1 1 11 3841 1 1 1 GLY C C -4.350 -8.552 3.384 1.00 . A A . 1 GLY C 1 1 11 3842 1 1 1 GLY CA C -4.821 -9.726 2.523 1.00 . A A . 1 GLY CA 1 1 11 3843 1 1 1 GLY H1 H -3.236 -10.959 1.971 1.00 . A A . 1 GLY H1 1 1 11 3844 1 1 1 GLY H2 H -3.058 -9.341 1.482 1.00 . A A . 1 GLY H2 1 1 11 3845 1 1 1 GLY H3 H -4.138 -10.365 0.663 1.00 . A A . 1 GLY H3 1 1 11 3846 1 1 1 GLY HA2 H -5.691 -9.430 1.954 1.00 . A A . 1 GLY HA2 1 1 11 3847 1 1 1 GLY HA3 H -5.074 -10.558 3.163 1.00 . A A . 1 GLY HA3 1 1 11 3848 1 1 1 GLY N N -3.732 -10.128 1.589 1.00 . A A . 1 GLY N 1 1 11 3849 1 1 1 GLY O O -4.208 -8.669 4.585 1.00 . A A . 1 GLY O 1 1 11 3850 1 1 2 GLY C C -2.935 -5.256 2.634 1.00 . A A . 2 GLY C 1 1 11 3851 1 1 2 GLY CA C -3.644 -6.242 3.565 1.00 . A A . 2 GLY CA 1 1 11 3852 1 1 2 GLY H H -4.227 -7.348 1.810 1.00 . A A . 2 GLY H 1 1 11 3853 1 1 2 GLY HA2 H -4.495 -5.758 4.023 1.00 . A A . 2 GLY HA2 1 1 11 3854 1 1 2 GLY HA3 H -2.957 -6.566 4.331 1.00 . A A . 2 GLY HA3 1 1 11 3855 1 1 2 GLY N N -4.107 -7.422 2.780 1.00 . A A . 2 GLY N 1 1 11 3856 1 1 2 GLY O O -1.943 -4.652 2.993 1.00 . A A . 2 GLY O 1 1 11 3857 1 1 3 LEU C C -3.861 -3.346 -0.266 1.00 . A A . 3 LEU C 1 1 11 3858 1 1 3 LEU CA C -2.793 -4.140 0.487 1.00 . A A . 3 LEU CA 1 1 11 3859 1 1 3 LEU CB C -2.002 -5.025 -0.476 1.00 . A A . 3 LEU CB 1 1 11 3860 1 1 3 LEU CD1 C -0.762 -6.835 0.718 1.00 . A A . 3 LEU CD1 1 1 11 3861 1 1 3 LEU CD2 C 0.442 -5.344 -0.883 1.00 . A A . 3 LEU CD2 1 1 11 3862 1 1 3 LEU CG C -0.669 -5.411 0.167 1.00 . A A . 3 LEU CG 1 1 11 3863 1 1 3 LEU H H -4.238 -5.585 1.173 1.00 . A A . 3 LEU H 1 1 11 3864 1 1 3 LEU HA H -2.127 -3.476 1.008 1.00 . A A . 3 LEU HA 1 1 11 3865 1 1 3 LEU HB2 H -2.569 -5.918 -0.694 1.00 . A A . 3 LEU HB2 1 1 11 3866 1 1 3 LEU HB3 H -1.813 -4.485 -1.391 1.00 . A A . 3 LEU HB3 1 1 11 3867 1 1 3 LEU HD11 H -1.595 -6.902 1.402 1.00 . A A . 3 LEU HD11 1 1 11 3868 1 1 3 LEU HD12 H 0.152 -7.079 1.241 1.00 . A A . 3 LEU HD12 1 1 11 3869 1 1 3 LEU HD13 H -0.908 -7.528 -0.096 1.00 . A A . 3 LEU HD13 1 1 11 3870 1 1 3 LEU HD21 H 0.512 -4.337 -1.269 1.00 . A A . 3 LEU HD21 1 1 11 3871 1 1 3 LEU HD22 H 0.216 -6.024 -1.691 1.00 . A A . 3 LEU HD22 1 1 11 3872 1 1 3 LEU HD23 H 1.383 -5.621 -0.430 1.00 . A A . 3 LEU HD23 1 1 11 3873 1 1 3 LEU HG H -0.448 -4.727 0.974 1.00 . A A . 3 LEU HG 1 1 11 3874 1 1 3 LEU N N -3.436 -5.088 1.441 1.00 . A A . 3 LEU N 1 1 11 3875 1 1 3 LEU O O -3.786 -2.140 -0.386 1.00 . A A . 3 LEU O 1 1 11 3876 1 1 4 GLY C C -6.379 -2.082 -0.736 1.00 . A A . 4 GLY C 1 1 11 3877 1 1 4 GLY CA C -5.930 -3.315 -1.520 1.00 . A A . 4 GLY CA 1 1 11 3878 1 1 4 GLY H H -4.889 -4.988 -0.665 1.00 . A A . 4 GLY H 1 1 11 3879 1 1 4 GLY HA2 H -5.552 -3.013 -2.483 1.00 . A A . 4 GLY HA2 1 1 11 3880 1 1 4 GLY HA3 H -6.771 -3.980 -1.652 1.00 . A A . 4 GLY HA3 1 1 11 3881 1 1 4 GLY N N -4.853 -4.019 -0.773 1.00 . A A . 4 GLY N 1 1 11 3882 1 1 4 GLY O O -6.486 -0.997 -1.273 1.00 . A A . 4 GLY O 1 1 11 3883 1 1 5 ARG C C -5.894 -0.264 1.820 1.00 . A A . 5 ARG C 1 1 11 3884 1 1 5 ARG CA C -7.093 -1.080 1.349 1.00 . A A . 5 ARG CA 1 1 11 3885 1 1 5 ARG CB C -7.841 -1.688 2.533 1.00 . A A . 5 ARG CB 1 1 11 3886 1 1 5 ARG CD C -9.983 -2.232 1.354 1.00 . A A . 5 ARG CD 1 1 11 3887 1 1 5 ARG CG C -9.330 -1.346 2.419 1.00 . A A . 5 ARG CG 1 1 11 3888 1 1 5 ARG CZ C -9.643 -0.729 -0.524 1.00 . A A . 5 ARG CZ 1 1 11 3889 1 1 5 ARG H H -6.554 -3.126 0.937 1.00 . A A . 5 ARG H 1 1 11 3890 1 1 5 ARG HA H -7.756 -0.453 0.781 1.00 . A A . 5 ARG HA 1 1 11 3891 1 1 5 ARG HB2 H -7.715 -2.761 2.527 1.00 . A A . 5 ARG HB2 1 1 11 3892 1 1 5 ARG HB3 H -7.451 -1.283 3.454 1.00 . A A . 5 ARG HB3 1 1 11 3893 1 1 5 ARG HD2 H -9.803 -3.275 1.575 1.00 . A A . 5 ARG HD2 1 1 11 3894 1 1 5 ARG HD3 H -11.042 -2.036 1.300 1.00 . A A . 5 ARG HD3 1 1 11 3895 1 1 5 ARG HE H -8.659 -2.443 -0.331 1.00 . A A . 5 ARG HE 1 1 11 3896 1 1 5 ARG HG2 H -9.810 -1.515 3.373 1.00 . A A . 5 ARG HG2 1 1 11 3897 1 1 5 ARG HG3 H -9.440 -0.310 2.140 1.00 . A A . 5 ARG HG3 1 1 11 3898 1 1 5 ARG HH11 H -11.034 -0.217 0.823 1.00 . A A . 5 ARG HH11 1 1 11 3899 1 1 5 ARG HH12 H -10.802 0.903 -0.478 1.00 . A A . 5 ARG HH12 1 1 11 3900 1 1 5 ARG HH21 H -8.315 -0.966 -2.003 1.00 . A A . 5 ARG HH21 1 1 11 3901 1 1 5 ARG HH22 H -9.266 0.480 -2.075 1.00 . A A . 5 ARG HH22 1 1 11 3902 1 1 5 ARG N N -6.646 -2.242 0.528 1.00 . A A . 5 ARG N 1 1 11 3903 1 1 5 ARG NE N -9.327 -1.850 0.071 1.00 . A A . 5 ARG NE 1 1 11 3904 1 1 5 ARG NH1 N -10.566 0.045 -0.019 1.00 . A A . 5 ARG NH1 1 1 11 3905 1 1 5 ARG NH2 N -9.027 -0.378 -1.620 1.00 . A A . 5 ARG NH2 1 1 11 3906 1 1 5 ARG O O -5.947 0.948 1.864 1.00 . A A . 5 ARG O 1 1 11 3907 1 1 6 CYS C C -3.430 1.083 1.740 1.00 . A A . 6 CYS C 1 1 11 3908 1 1 6 CYS CA C -3.609 -0.153 2.619 1.00 . A A . 6 CYS CA 1 1 11 3909 1 1 6 CYS CB C -2.436 -1.115 2.446 1.00 . A A . 6 CYS CB 1 1 11 3910 1 1 6 CYS H H -4.789 -1.887 2.112 1.00 . A A . 6 CYS H 1 1 11 3911 1 1 6 CYS HA H -3.708 0.130 3.652 1.00 . A A . 6 CYS HA 1 1 11 3912 1 1 6 CYS HB2 H -2.672 -1.833 1.675 1.00 . A A . 6 CYS HB2 1 1 11 3913 1 1 6 CYS HB3 H -1.554 -0.561 2.163 1.00 . A A . 6 CYS HB3 1 1 11 3914 1 1 6 CYS N N -4.812 -0.910 2.163 1.00 . A A . 6 CYS N 1 1 11 3915 1 1 6 CYS O O -3.592 2.203 2.181 1.00 . A A . 6 CYS O 1 1 11 3916 1 1 6 CYS SG S -2.131 -1.981 4.005 1.00 . A A . 6 CYS SG 1 1 11 3917 1 1 7 ILE C C -4.246 2.868 -0.426 1.00 . A A . 7 ILE C 1 1 11 3918 1 1 7 ILE CA C -2.964 2.038 -0.427 1.00 . A A . 7 ILE CA 1 1 11 3919 1 1 7 ILE CB C -2.728 1.403 -1.791 1.00 . A A . 7 ILE CB 1 1 11 3920 1 1 7 ILE CD1 C -1.705 -0.863 -1.600 1.00 . A A . 7 ILE CD1 1 1 11 3921 1 1 7 ILE CG1 C -1.419 0.633 -1.754 1.00 . A A . 7 ILE CG1 1 1 11 3922 1 1 7 ILE CG2 C -2.665 2.485 -2.869 1.00 . A A . 7 ILE CG2 1 1 11 3923 1 1 7 ILE H H -3.012 -0.028 0.152 1.00 . A A . 7 ILE H 1 1 11 3924 1 1 7 ILE HA H -2.118 2.640 -0.139 1.00 . A A . 7 ILE HA 1 1 11 3925 1 1 7 ILE HB H -3.529 0.724 -2.008 1.00 . A A . 7 ILE HB 1 1 11 3926 1 1 7 ILE HD11 H -2.706 -1.075 -1.947 1.00 . A A . 7 ILE HD11 1 1 11 3927 1 1 7 ILE HD12 H -1.617 -1.140 -0.561 1.00 . A A . 7 ILE HD12 1 1 11 3928 1 1 7 ILE HD13 H -0.995 -1.427 -2.186 1.00 . A A . 7 ILE HD13 1 1 11 3929 1 1 7 ILE HG12 H -0.878 0.803 -2.668 1.00 . A A . 7 ILE HG12 1 1 11 3930 1 1 7 ILE HG13 H -0.840 0.973 -0.918 1.00 . A A . 7 ILE HG13 1 1 11 3931 1 1 7 ILE HG21 H -3.484 3.176 -2.735 1.00 . A A . 7 ILE HG21 1 1 11 3932 1 1 7 ILE HG22 H -2.737 2.027 -3.844 1.00 . A A . 7 ILE HG22 1 1 11 3933 1 1 7 ILE HG23 H -1.728 3.016 -2.791 1.00 . A A . 7 ILE HG23 1 1 11 3934 1 1 7 ILE N N -3.123 0.884 0.492 1.00 . A A . 7 ILE N 1 1 11 3935 1 1 7 ILE O O -4.213 4.082 -0.368 1.00 . A A . 7 ILE O 1 1 11 3936 1 1 8 TYR C C -6.587 4.046 0.635 1.00 . A A . 8 TYR C 1 1 11 3937 1 1 8 TYR CA C -6.660 2.981 -0.455 1.00 . A A . 8 TYR CA 1 1 11 3938 1 1 8 TYR CB C -7.741 1.947 -0.133 1.00 . A A . 8 TYR CB 1 1 11 3939 1 1 8 TYR CD1 C -9.948 2.863 0.668 1.00 . A A . 8 TYR CD1 1 1 11 3940 1 1 8 TYR CD2 C -9.515 2.780 -1.716 1.00 . A A . 8 TYR CD2 1 1 11 3941 1 1 8 TYR CE1 C -11.210 3.416 0.419 1.00 . A A . 8 TYR CE1 1 1 11 3942 1 1 8 TYR CE2 C -10.777 3.334 -1.966 1.00 . A A . 8 TYR CE2 1 1 11 3943 1 1 8 TYR CG C -9.101 2.544 -0.401 1.00 . A A . 8 TYR CG 1 1 11 3944 1 1 8 TYR CZ C -11.625 3.652 -0.898 1.00 . A A . 8 TYR CZ 1 1 11 3945 1 1 8 TYR H H -5.388 1.244 -0.505 1.00 . A A . 8 TYR H 1 1 11 3946 1 1 8 TYR HA H -6.850 3.430 -1.414 1.00 . A A . 8 TYR HA 1 1 11 3947 1 1 8 TYR HB2 H -7.601 1.076 -0.756 1.00 . A A . 8 TYR HB2 1 1 11 3948 1 1 8 TYR HB3 H -7.671 1.662 0.904 1.00 . A A . 8 TYR HB3 1 1 11 3949 1 1 8 TYR HD1 H -9.629 2.681 1.684 1.00 . A A . 8 TYR HD1 1 1 11 3950 1 1 8 TYR HD2 H -8.861 2.536 -2.540 1.00 . A A . 8 TYR HD2 1 1 11 3951 1 1 8 TYR HE1 H -11.865 3.662 1.242 1.00 . A A . 8 TYR HE1 1 1 11 3952 1 1 8 TYR HE2 H -11.096 3.516 -2.981 1.00 . A A . 8 TYR HE2 1 1 11 3953 1 1 8 TYR HH H -13.123 3.965 -2.040 1.00 . A A . 8 TYR HH 1 1 11 3954 1 1 8 TYR N N -5.380 2.223 -0.473 1.00 . A A . 8 TYR N 1 1 11 3955 1 1 8 TYR O O -6.523 5.228 0.365 1.00 . A A . 8 TYR O 1 1 11 3956 1 1 8 TYR OH O -12.868 4.198 -1.144 1.00 . A A . 8 TYR OH 1 1 11 3957 1 1 9 ASN C C -5.168 5.355 2.923 1.00 . A A . 9 ASN C 1 1 11 3958 1 1 9 ASN CA C -6.503 4.611 2.977 1.00 . A A . 9 ASN CA 1 1 11 3959 1 1 9 ASN CB C -6.604 3.777 4.255 1.00 . A A . 9 ASN CB 1 1 11 3960 1 1 9 ASN CG C -5.437 2.790 4.334 1.00 . A A . 9 ASN CG 1 1 11 3961 1 1 9 ASN H H -6.632 2.678 2.061 1.00 . A A . 9 ASN H 1 1 11 3962 1 1 9 ASN HA H -7.322 5.298 2.922 1.00 . A A . 9 ASN HA 1 1 11 3963 1 1 9 ASN HB2 H -6.570 4.433 5.106 1.00 . A A . 9 ASN HB2 1 1 11 3964 1 1 9 ASN HB3 H -7.535 3.230 4.256 1.00 . A A . 9 ASN HB3 1 1 11 3965 1 1 9 ASN HD21 H -4.142 4.151 4.974 1.00 . A A . 9 ASN HD21 1 1 11 3966 1 1 9 ASN HD22 H -3.515 2.586 4.784 1.00 . A A . 9 ASN HD22 1 1 11 3967 1 1 9 ASN N N -6.585 3.631 1.867 1.00 . A A . 9 ASN N 1 1 11 3968 1 1 9 ASN ND2 N -4.268 3.211 4.730 1.00 . A A . 9 ASN ND2 1 1 11 3969 1 1 9 ASN O O -5.099 6.551 3.117 1.00 . A A . 9 ASN O 1 1 11 3970 1 1 9 ASN OD1 O -5.594 1.622 4.043 1.00 . A A . 9 ASN OD1 1 1 11 3971 1 1 10 CYS C C -2.658 6.196 1.381 1.00 . A A . 10 CYS C 1 1 11 3972 1 1 10 CYS CA C -2.768 5.290 2.607 1.00 . A A . 10 CYS CA 1 1 11 3973 1 1 10 CYS CB C -1.776 4.127 2.510 1.00 . A A . 10 CYS CB 1 1 11 3974 1 1 10 CYS H H -4.188 3.688 2.530 1.00 . A A . 10 CYS H 1 1 11 3975 1 1 10 CYS HA H -2.587 5.848 3.497 1.00 . A A . 10 CYS HA 1 1 11 3976 1 1 10 CYS HB2 H -1.825 3.538 3.414 1.00 . A A . 10 CYS HB2 1 1 11 3977 1 1 10 CYS HB3 H -2.028 3.507 1.663 1.00 . A A . 10 CYS HB3 1 1 11 3978 1 1 10 CYS N N -4.106 4.647 2.670 1.00 . A A . 10 CYS N 1 1 11 3979 1 1 10 CYS O O -2.832 7.395 1.460 1.00 . A A . 10 CYS O 1 1 11 3980 1 1 10 CYS SG S -0.098 4.775 2.307 1.00 . A A . 10 CYS SG 1 1 11 3981 1 1 11 MET C C -3.531 7.100 -1.376 1.00 . A A . 11 MET C 1 1 11 3982 1 1 11 MET CA C -2.209 6.434 -0.985 1.00 . A A . 11 MET CA 1 1 11 3983 1 1 11 MET CB C -1.788 5.417 -2.036 1.00 . A A . 11 MET CB 1 1 11 3984 1 1 11 MET CE C 0.662 6.970 -2.002 1.00 . A A . 11 MET CE 1 1 11 3985 1 1 11 MET CG C -0.584 4.611 -1.529 1.00 . A A . 11 MET CG 1 1 11 3986 1 1 11 MET H H -2.209 4.665 0.219 1.00 . A A . 11 MET H 1 1 11 3987 1 1 11 MET HA H -1.435 7.167 -0.868 1.00 . A A . 11 MET HA 1 1 11 3988 1 1 11 MET HB2 H -2.612 4.747 -2.230 1.00 . A A . 11 MET HB2 1 1 11 3989 1 1 11 MET HB3 H -1.519 5.932 -2.943 1.00 . A A . 11 MET HB3 1 1 11 3990 1 1 11 MET HE1 H 0.100 7.835 -1.677 1.00 . A A . 11 MET HE1 1 1 11 3991 1 1 11 MET HE2 H 0.227 6.581 -2.908 1.00 . A A . 11 MET HE2 1 1 11 3992 1 1 11 MET HE3 H 1.689 7.250 -2.189 1.00 . A A . 11 MET HE3 1 1 11 3993 1 1 11 MET HG2 H -0.921 3.864 -0.826 1.00 . A A . 11 MET HG2 1 1 11 3994 1 1 11 MET HG3 H -0.111 4.126 -2.365 1.00 . A A . 11 MET HG3 1 1 11 3995 1 1 11 MET N N -2.354 5.628 0.253 1.00 . A A . 11 MET N 1 1 11 3996 1 1 11 MET O O -3.611 8.303 -1.526 1.00 . A A . 11 MET O 1 1 11 3997 1 1 11 MET SD S 0.611 5.703 -0.715 1.00 . A A . 11 MET SD 1 1 11 3998 1 1 12 ASN C C -6.511 7.630 -0.755 1.00 . A A . 12 ASN C 1 1 11 3999 1 1 12 ASN CA C -5.876 6.909 -1.942 1.00 . A A . 12 ASN CA 1 1 11 4000 1 1 12 ASN CB C -6.735 5.719 -2.374 1.00 . A A . 12 ASN CB 1 1 11 4001 1 1 12 ASN CG C -7.645 6.147 -3.525 1.00 . A A . 12 ASN CG 1 1 11 4002 1 1 12 ASN H H -4.469 5.364 -1.428 1.00 . A A . 12 ASN H 1 1 11 4003 1 1 12 ASN HA H -5.751 7.589 -2.770 1.00 . A A . 12 ASN HA 1 1 11 4004 1 1 12 ASN HB2 H -6.095 4.912 -2.700 1.00 . A A . 12 ASN HB2 1 1 11 4005 1 1 12 ASN HB3 H -7.339 5.389 -1.545 1.00 . A A . 12 ASN HB3 1 1 11 4006 1 1 12 ASN HD21 H -7.554 8.077 -3.066 1.00 . A A . 12 ASN HD21 1 1 11 4007 1 1 12 ASN HD22 H -8.507 7.698 -4.418 1.00 . A A . 12 ASN HD22 1 1 11 4008 1 1 12 ASN N N -4.562 6.326 -1.550 1.00 . A A . 12 ASN N 1 1 11 4009 1 1 12 ASN ND2 N -7.926 7.413 -3.683 1.00 . A A . 12 ASN ND2 1 1 11 4010 1 1 12 ASN O O -7.614 7.327 -0.345 1.00 . A A . 12 ASN O 1 1 11 4011 1 1 12 ASN OD1 O -8.109 5.322 -4.289 1.00 . A A . 12 ASN OD1 1 1 11 4012 1 1 13 SER C C -5.412 10.425 1.437 1.00 . A A . 13 SER C 1 1 11 4013 1 1 13 SER CA C -6.385 9.345 0.945 1.00 . A A . 13 SER CA 1 1 11 4014 1 1 13 SER CB C -6.622 8.298 2.030 1.00 . A A . 13 SER CB 1 1 11 4015 1 1 13 SER H H -4.948 8.818 -0.565 1.00 . A A . 13 SER H 1 1 11 4016 1 1 13 SER HA H -7.314 9.792 0.664 1.00 . A A . 13 SER HA 1 1 11 4017 1 1 13 SER HB2 H -6.397 7.319 1.644 1.00 . A A . 13 SER HB2 1 1 11 4018 1 1 13 SER HB3 H -5.980 8.507 2.876 1.00 . A A . 13 SER HB3 1 1 11 4019 1 1 13 SER HG H -8.529 8.221 1.650 1.00 . A A . 13 SER HG 1 1 11 4020 1 1 13 SER N N -5.824 8.592 -0.210 1.00 . A A . 13 SER N 1 1 11 4021 1 1 13 SER O O -5.810 11.384 2.068 1.00 . A A . 13 SER O 1 1 11 4022 1 1 13 SER OG O -7.985 8.340 2.433 1.00 . A A . 13 SER OG 1 1 11 4023 1 1 14 GLY C C -1.752 10.769 1.374 1.00 . A A . 14 GLY C 1 1 11 4024 1 1 14 GLY CA C -3.167 11.292 1.616 1.00 . A A . 14 GLY CA 1 1 11 4025 1 1 14 GLY H H -3.843 9.512 0.660 1.00 . A A . 14 GLY H 1 1 11 4026 1 1 14 GLY HA2 H -3.315 12.208 1.064 1.00 . A A . 14 GLY HA2 1 1 11 4027 1 1 14 GLY HA3 H -3.306 11.469 2.666 1.00 . A A . 14 GLY HA3 1 1 11 4028 1 1 14 GLY N N -4.148 10.281 1.161 1.00 . A A . 14 GLY N 1 1 11 4029 1 1 14 GLY O O -0.815 11.527 1.220 1.00 . A A . 14 GLY O 1 1 11 4030 1 1 15 GLY C C 0.784 9.627 1.972 1.00 . A A . 15 GLY C 1 1 11 4031 1 1 15 GLY CA C -0.240 8.898 1.104 1.00 . A A . 15 GLY CA 1 1 11 4032 1 1 15 GLY H H -2.360 8.882 1.462 1.00 . A A . 15 GLY H 1 1 11 4033 1 1 15 GLY HA2 H -0.250 7.847 1.358 1.00 . A A . 15 GLY HA2 1 1 11 4034 1 1 15 GLY HA3 H 0.022 9.016 0.065 1.00 . A A . 15 GLY HA3 1 1 11 4035 1 1 15 GLY N N -1.592 9.475 1.338 1.00 . A A . 15 GLY N 1 1 11 4036 1 1 15 GLY O O 1.534 10.459 1.501 1.00 . A A . 15 GLY O 1 1 11 4037 1 1 16 GLY C C 3.179 10.017 3.486 1.00 . A A . 16 GLY C 1 1 11 4038 1 1 16 GLY CA C 1.796 9.993 4.141 1.00 . A A . 16 GLY CA 1 1 11 4039 1 1 16 GLY H H 0.210 8.650 3.599 1.00 . A A . 16 GLY H 1 1 11 4040 1 1 16 GLY HA2 H 1.466 11.003 4.330 1.00 . A A . 16 GLY HA2 1 1 11 4041 1 1 16 GLY HA3 H 1.855 9.451 5.075 1.00 . A A . 16 GLY HA3 1 1 11 4042 1 1 16 GLY N N 0.823 9.321 3.240 1.00 . A A . 16 GLY N 1 1 11 4043 1 1 16 GLY O O 4.009 10.846 3.801 1.00 . A A . 16 GLY O 1 1 11 4044 1 1 17 LEU C C 4.612 8.848 0.402 1.00 . A A . 17 LEU C 1 1 11 4045 1 1 17 LEU CA C 4.769 9.094 1.909 1.00 . A A . 17 LEU CA 1 1 11 4046 1 1 17 LEU CB C 5.542 7.967 2.592 1.00 . A A . 17 LEU CB 1 1 11 4047 1 1 17 LEU CD1 C 5.336 5.537 2.207 1.00 . A A . 17 LEU CD1 1 1 11 4048 1 1 17 LEU CD2 C 4.378 6.540 4.277 1.00 . A A . 17 LEU CD2 1 1 11 4049 1 1 17 LEU CG C 4.638 6.756 2.784 1.00 . A A . 17 LEU CG 1 1 11 4050 1 1 17 LEU H H 2.759 8.453 2.334 1.00 . A A . 17 LEU H 1 1 11 4051 1 1 17 LEU HA H 5.279 10.018 2.076 1.00 . A A . 17 LEU HA 1 1 11 4052 1 1 17 LEU HB2 H 6.388 7.691 1.980 1.00 . A A . 17 LEU HB2 1 1 11 4053 1 1 17 LEU HB3 H 5.893 8.306 3.555 1.00 . A A . 17 LEU HB3 1 1 11 4054 1 1 17 LEU HD11 H 6.403 5.707 2.209 1.00 . A A . 17 LEU HD11 1 1 11 4055 1 1 17 LEU HD12 H 4.998 5.383 1.195 1.00 . A A . 17 LEU HD12 1 1 11 4056 1 1 17 LEU HD13 H 5.103 4.673 2.806 1.00 . A A . 17 LEU HD13 1 1 11 4057 1 1 17 LEU HD21 H 4.498 7.476 4.802 1.00 . A A . 17 LEU HD21 1 1 11 4058 1 1 17 LEU HD22 H 5.082 5.818 4.663 1.00 . A A . 17 LEU HD22 1 1 11 4059 1 1 17 LEU HD23 H 3.372 6.175 4.418 1.00 . A A . 17 LEU HD23 1 1 11 4060 1 1 17 LEU HG H 3.704 6.911 2.268 1.00 . A A . 17 LEU HG 1 1 11 4061 1 1 17 LEU N N 3.437 9.115 2.577 1.00 . A A . 17 LEU N 1 1 11 4062 1 1 17 LEU O O 4.100 9.685 -0.314 1.00 . A A . 17 LEU O 1 1 11 4063 1 1 18 SER C C 3.918 6.331 -1.815 1.00 . A A . 18 SER C 1 1 11 4064 1 1 18 SER CA C 4.925 7.455 -1.554 1.00 . A A . 18 SER CA 1 1 11 4065 1 1 18 SER CB C 6.322 7.027 -1.988 1.00 . A A . 18 SER CB 1 1 11 4066 1 1 18 SER H H 5.466 7.059 0.483 1.00 . A A . 18 SER H 1 1 11 4067 1 1 18 SER HA H 4.635 8.351 -2.078 1.00 . A A . 18 SER HA 1 1 11 4068 1 1 18 SER HB2 H 6.713 6.307 -1.291 1.00 . A A . 18 SER HB2 1 1 11 4069 1 1 18 SER HB3 H 6.270 6.580 -2.968 1.00 . A A . 18 SER HB3 1 1 11 4070 1 1 18 SER HG H 6.784 8.815 -2.602 1.00 . A A . 18 SER HG 1 1 11 4071 1 1 18 SER N N 5.050 7.722 -0.094 1.00 . A A . 18 SER N 1 1 11 4072 1 1 18 SER O O 3.335 5.780 -0.903 1.00 . A A . 18 SER O 1 1 11 4073 1 1 18 SER OG O 7.175 8.164 -2.015 1.00 . A A . 18 SER OG 1 1 11 4074 1 1 19 PHE C C 3.449 3.551 -3.385 1.00 . A A . 19 PHE C 1 1 11 4075 1 1 19 PHE CA C 2.749 4.904 -3.399 1.00 . A A . 19 PHE CA 1 1 11 4076 1 1 19 PHE CB C 2.268 5.236 -4.809 1.00 . A A . 19 PHE CB 1 1 11 4077 1 1 19 PHE CD1 C 1.636 3.151 -6.075 1.00 . A A . 19 PHE CD1 1 1 11 4078 1 1 19 PHE CD2 C -0.084 4.329 -4.836 1.00 . A A . 19 PHE CD2 1 1 11 4079 1 1 19 PHE CE1 C 0.691 2.202 -6.484 1.00 . A A . 19 PHE CE1 1 1 11 4080 1 1 19 PHE CE2 C -1.029 3.380 -5.245 1.00 . A A . 19 PHE CE2 1 1 11 4081 1 1 19 PHE CG C 1.248 4.214 -5.250 1.00 . A A . 19 PHE CG 1 1 11 4082 1 1 19 PHE CZ C -0.641 2.318 -6.070 1.00 . A A . 19 PHE CZ 1 1 11 4083 1 1 19 PHE H H 4.203 6.451 -3.773 1.00 . A A . 19 PHE H 1 1 11 4084 1 1 19 PHE HA H 1.920 4.902 -2.714 1.00 . A A . 19 PHE HA 1 1 11 4085 1 1 19 PHE HB2 H 1.821 6.218 -4.813 1.00 . A A . 19 PHE HB2 1 1 11 4086 1 1 19 PHE HB3 H 3.108 5.219 -5.488 1.00 . A A . 19 PHE HB3 1 1 11 4087 1 1 19 PHE HD1 H 2.663 3.062 -6.394 1.00 . A A . 19 PHE HD1 1 1 11 4088 1 1 19 PHE HD2 H -0.382 5.149 -4.200 1.00 . A A . 19 PHE HD2 1 1 11 4089 1 1 19 PHE HE1 H 0.990 1.383 -7.120 1.00 . A A . 19 PHE HE1 1 1 11 4090 1 1 19 PHE HE2 H -2.057 3.469 -4.925 1.00 . A A . 19 PHE HE2 1 1 11 4091 1 1 19 PHE HZ H -1.371 1.585 -6.386 1.00 . A A . 19 PHE HZ 1 1 11 4092 1 1 19 PHE N N 3.716 5.991 -3.058 1.00 . A A . 19 PHE N 1 1 11 4093 1 1 19 PHE O O 3.080 2.661 -2.645 1.00 . A A . 19 PHE O 1 1 11 4094 1 1 20 ILE C C 5.383 1.610 -2.795 1.00 . A A . 20 ILE C 1 1 11 4095 1 1 20 ILE CA C 5.181 2.083 -4.228 1.00 . A A . 20 ILE CA 1 1 11 4096 1 1 20 ILE CB C 6.547 2.333 -4.885 1.00 . A A . 20 ILE CB 1 1 11 4097 1 1 20 ILE CD1 C 6.862 4.726 -5.481 1.00 . A A . 20 ILE CD1 1 1 11 4098 1 1 20 ILE CG1 C 6.428 3.359 -6.011 1.00 . A A . 20 ILE CG1 1 1 11 4099 1 1 20 ILE CG2 C 7.078 1.018 -5.460 1.00 . A A . 20 ILE CG2 1 1 11 4100 1 1 20 ILE H H 4.719 4.131 -4.780 1.00 . A A . 20 ILE H 1 1 11 4101 1 1 20 ILE HA H 4.621 1.354 -4.789 1.00 . A A . 20 ILE HA 1 1 11 4102 1 1 20 ILE HB H 7.238 2.697 -4.138 1.00 . A A . 20 ILE HB 1 1 11 4103 1 1 20 ILE HD11 H 7.684 5.098 -6.073 1.00 . A A . 20 ILE HD11 1 1 11 4104 1 1 20 ILE HD12 H 7.174 4.628 -4.451 1.00 . A A . 20 ILE HD12 1 1 11 4105 1 1 20 ILE HD13 H 6.033 5.414 -5.540 1.00 . A A . 20 ILE HD13 1 1 11 4106 1 1 20 ILE HG12 H 7.067 3.069 -6.833 1.00 . A A . 20 ILE HG12 1 1 11 4107 1 1 20 ILE HG13 H 5.405 3.412 -6.349 1.00 . A A . 20 ILE HG13 1 1 11 4108 1 1 20 ILE HG21 H 6.507 0.194 -5.061 1.00 . A A . 20 ILE HG21 1 1 11 4109 1 1 20 ILE HG22 H 8.117 0.901 -5.190 1.00 . A A . 20 ILE HG22 1 1 11 4110 1 1 20 ILE HG23 H 6.985 1.033 -6.536 1.00 . A A . 20 ILE HG23 1 1 11 4111 1 1 20 ILE N N 4.453 3.393 -4.198 1.00 . A A . 20 ILE N 1 1 11 4112 1 1 20 ILE O O 5.292 0.438 -2.490 1.00 . A A . 20 ILE O 1 1 11 4113 1 1 21 GLN C C 4.587 1.411 0.000 1.00 . A A . 21 GLN C 1 1 11 4114 1 1 21 GLN CA C 5.829 2.158 -0.488 1.00 . A A . 21 GLN CA 1 1 11 4115 1 1 21 GLN CB C 5.989 3.486 0.251 1.00 . A A . 21 GLN CB 1 1 11 4116 1 1 21 GLN CD C 8.197 3.393 1.417 1.00 . A A . 21 GLN CD 1 1 11 4117 1 1 21 GLN CG C 7.452 3.931 0.196 1.00 . A A . 21 GLN CG 1 1 11 4118 1 1 21 GLN H H 5.694 3.470 -2.183 1.00 . A A . 21 GLN H 1 1 11 4119 1 1 21 GLN HA H 6.714 1.556 -0.373 1.00 . A A . 21 GLN HA 1 1 11 4120 1 1 21 GLN HB2 H 5.367 4.234 -0.218 1.00 . A A . 21 GLN HB2 1 1 11 4121 1 1 21 GLN HB3 H 5.691 3.362 1.282 1.00 . A A . 21 GLN HB3 1 1 11 4122 1 1 21 GLN HE21 H 9.815 2.893 0.383 1.00 . A A . 21 GLN HE21 1 1 11 4123 1 1 21 GLN HE22 H 9.884 2.559 2.045 1.00 . A A . 21 GLN HE22 1 1 11 4124 1 1 21 GLN HG2 H 7.911 3.548 -0.703 1.00 . A A . 21 GLN HG2 1 1 11 4125 1 1 21 GLN HG3 H 7.500 5.010 0.194 1.00 . A A . 21 GLN HG3 1 1 11 4126 1 1 21 GLN N N 5.640 2.531 -1.910 1.00 . A A . 21 GLN N 1 1 11 4127 1 1 21 GLN NE2 N 9.398 2.908 1.270 1.00 . A A . 21 GLN NE2 1 1 11 4128 1 1 21 GLN O O 4.612 0.219 0.214 1.00 . A A . 21 GLN O 1 1 11 4129 1 1 21 GLN OE1 O 7.680 3.412 2.516 1.00 . A A . 21 GLN OE1 1 1 11 4130 1 1 22 CYS C C 1.807 0.390 -0.409 1.00 . A A . 22 CYS C 1 1 11 4131 1 1 22 CYS CA C 2.243 1.439 0.617 1.00 . A A . 22 CYS CA 1 1 11 4132 1 1 22 CYS CB C 1.205 2.560 0.709 1.00 . A A . 22 CYS CB 1 1 11 4133 1 1 22 CYS H H 3.491 3.065 -0.030 1.00 . A A . 22 CYS H 1 1 11 4134 1 1 22 CYS HA H 2.388 0.985 1.584 1.00 . A A . 22 CYS HA 1 1 11 4135 1 1 22 CYS HB2 H 1.505 3.380 0.072 1.00 . A A . 22 CYS HB2 1 1 11 4136 1 1 22 CYS HB3 H 0.243 2.185 0.387 1.00 . A A . 22 CYS HB3 1 1 11 4137 1 1 22 CYS N N 3.494 2.106 0.160 1.00 . A A . 22 CYS N 1 1 11 4138 1 1 22 CYS O O 1.243 -0.630 -0.065 1.00 . A A . 22 CYS O 1 1 11 4139 1 1 22 CYS SG S 1.085 3.139 2.420 1.00 . A A . 22 CYS SG 1 1 11 4140 1 1 23 LYS C C 2.148 -1.762 -2.334 1.00 . A A . 23 LYS C 1 1 11 4141 1 1 23 LYS CA C 1.652 -0.361 -2.706 1.00 . A A . 23 LYS CA 1 1 11 4142 1 1 23 LYS CB C 2.318 0.114 -3.998 1.00 . A A . 23 LYS CB 1 1 11 4143 1 1 23 LYS CD C 0.265 -0.729 -5.146 1.00 . A A . 23 LYS CD 1 1 11 4144 1 1 23 LYS CE C -0.269 -1.056 -6.542 1.00 . A A . 23 LYS CE 1 1 11 4145 1 1 23 LYS CG C 1.795 -0.715 -5.173 1.00 . A A . 23 LYS CG 1 1 11 4146 1 1 23 LYS H H 2.515 1.462 -1.933 1.00 . A A . 23 LYS H 1 1 11 4147 1 1 23 LYS HA H 0.581 -0.361 -2.824 1.00 . A A . 23 LYS HA 1 1 11 4148 1 1 23 LYS HB2 H 2.086 1.157 -4.160 1.00 . A A . 23 LYS HB2 1 1 11 4149 1 1 23 LYS HB3 H 3.388 -0.010 -3.921 1.00 . A A . 23 LYS HB3 1 1 11 4150 1 1 23 LYS HD2 H -0.075 -1.479 -4.445 1.00 . A A . 23 LYS HD2 1 1 11 4151 1 1 23 LYS HD3 H -0.100 0.240 -4.841 1.00 . A A . 23 LYS HD3 1 1 11 4152 1 1 23 LYS HE2 H -1.291 -0.719 -6.642 1.00 . A A . 23 LYS HE2 1 1 11 4153 1 1 23 LYS HE3 H 0.354 -0.605 -7.299 1.00 . A A . 23 LYS HE3 1 1 11 4154 1 1 23 LYS HG2 H 2.136 -0.278 -6.101 1.00 . A A . 23 LYS HG2 1 1 11 4155 1 1 23 LYS HG3 H 2.165 -1.726 -5.093 1.00 . A A . 23 LYS HG3 1 1 11 4156 1 1 23 LYS HZ1 H 0.746 -2.821 -6.979 1.00 . A A . 23 LYS HZ1 1 1 11 4157 1 1 23 LYS HZ2 H -0.920 -2.877 -7.312 1.00 . A A . 23 LYS HZ2 1 1 11 4158 1 1 23 LYS HZ3 H -0.368 -2.960 -5.707 1.00 . A A . 23 LYS HZ3 1 1 11 4159 1 1 23 LYS N N 2.060 0.630 -1.669 1.00 . A A . 23 LYS N 1 1 11 4160 1 1 23 LYS NZ N -0.197 -2.540 -6.642 1.00 . A A . 23 LYS NZ 1 1 11 4161 1 1 23 LYS O O 1.647 -2.754 -2.826 1.00 . A A . 23 LYS O 1 1 11 4162 1 1 24 THR C C 4.190 -3.208 0.347 1.00 . A A . 24 THR C 1 1 11 4163 1 1 24 THR CA C 3.637 -3.208 -1.085 1.00 . A A . 24 THR CA 1 1 11 4164 1 1 24 THR CB C 4.750 -3.517 -2.091 1.00 . A A . 24 THR CB 1 1 11 4165 1 1 24 THR CG2 C 5.688 -2.315 -2.213 1.00 . A A . 24 THR CG2 1 1 11 4166 1 1 24 THR H H 3.521 -1.050 -1.086 1.00 . A A . 24 THR H 1 1 11 4167 1 1 24 THR HA H 2.854 -3.940 -1.178 1.00 . A A . 24 THR HA 1 1 11 4168 1 1 24 THR HB H 4.314 -3.728 -3.055 1.00 . A A . 24 THR HB 1 1 11 4169 1 1 24 THR HG1 H 5.377 -5.347 -2.295 1.00 . A A . 24 THR HG1 1 1 11 4170 1 1 24 THR HG21 H 6.708 -2.661 -2.296 1.00 . A A . 24 THR HG21 1 1 11 4171 1 1 24 THR HG22 H 5.591 -1.691 -1.338 1.00 . A A . 24 THR HG22 1 1 11 4172 1 1 24 THR HG23 H 5.430 -1.745 -3.093 1.00 . A A . 24 THR HG23 1 1 11 4173 1 1 24 THR N N 3.126 -1.858 -1.472 1.00 . A A . 24 THR N 1 1 11 4174 1 1 24 THR O O 4.156 -4.215 1.028 1.00 . A A . 24 THR O 1 1 11 4175 1 1 24 THR OG1 O 5.485 -4.649 -1.646 1.00 . A A . 24 THR OG1 1 1 11 4176 1 1 25 MET C C 4.154 -2.341 3.215 1.00 . A A . 25 MET C 1 1 11 4177 1 1 25 MET CA C 5.260 -2.069 2.191 1.00 . A A . 25 MET CA 1 1 11 4178 1 1 25 MET CB C 5.847 -0.660 2.361 1.00 . A A . 25 MET CB 1 1 11 4179 1 1 25 MET CE C 4.221 2.079 4.776 1.00 . A A . 25 MET CE 1 1 11 4180 1 1 25 MET CG C 4.751 0.329 2.770 1.00 . A A . 25 MET CG 1 1 11 4181 1 1 25 MET H H 4.736 -1.304 0.259 1.00 . A A . 25 MET H 1 1 11 4182 1 1 25 MET HA H 6.040 -2.800 2.285 1.00 . A A . 25 MET HA 1 1 11 4183 1 1 25 MET HB2 H 6.611 -0.682 3.124 1.00 . A A . 25 MET HB2 1 1 11 4184 1 1 25 MET HB3 H 6.285 -0.341 1.427 1.00 . A A . 25 MET HB3 1 1 11 4185 1 1 25 MET HE1 H 3.159 2.223 4.925 1.00 . A A . 25 MET HE1 1 1 11 4186 1 1 25 MET HE2 H 4.533 2.612 3.893 1.00 . A A . 25 MET HE2 1 1 11 4187 1 1 25 MET HE3 H 4.765 2.453 5.632 1.00 . A A . 25 MET HE3 1 1 11 4188 1 1 25 MET HG2 H 5.025 1.322 2.446 1.00 . A A . 25 MET HG2 1 1 11 4189 1 1 25 MET HG3 H 3.819 0.045 2.308 1.00 . A A . 25 MET HG3 1 1 11 4190 1 1 25 MET N N 4.706 -2.104 0.812 1.00 . A A . 25 MET N 1 1 11 4191 1 1 25 MET O O 4.388 -2.915 4.259 1.00 . A A . 25 MET O 1 1 11 4192 1 1 25 MET SD S 4.563 0.313 4.570 1.00 . A A . 25 MET SD 1 1 11 4193 1 1 26 CYS C C 1.340 -3.617 3.761 1.00 . A A . 26 CYS C 1 1 11 4194 1 1 26 CYS CA C 1.830 -2.172 3.875 1.00 . A A . 26 CYS CA 1 1 11 4195 1 1 26 CYS CB C 0.734 -1.195 3.453 1.00 . A A . 26 CYS CB 1 1 11 4196 1 1 26 CYS H H 2.783 -1.472 2.071 1.00 . A A . 26 CYS H 1 1 11 4197 1 1 26 CYS HA H 2.145 -1.961 4.886 1.00 . A A . 26 CYS HA 1 1 11 4198 1 1 26 CYS HB2 H 1.168 -0.223 3.269 1.00 . A A . 26 CYS HB2 1 1 11 4199 1 1 26 CYS HB3 H 0.262 -1.555 2.550 1.00 . A A . 26 CYS HB3 1 1 11 4200 1 1 26 CYS N N 2.950 -1.933 2.920 1.00 . A A . 26 CYS N 1 1 11 4201 1 1 26 CYS O O 0.680 -3.986 2.810 1.00 . A A . 26 CYS O 1 1 11 4202 1 1 26 CYS SG S -0.500 -1.066 4.768 1.00 . A A . 26 CYS SG 1 1 11 4203 1 1 27 TYR C C -0.274 -5.961 5.021 1.00 . A A . 27 TYR C 1 1 11 4204 1 1 27 TYR CA C 1.214 -5.858 4.674 1.00 . A A . 27 TYR CA 1 1 11 4205 1 1 27 TYR CB C 2.060 -6.568 5.729 1.00 . A A . 27 TYR CB 1 1 11 4206 1 1 27 TYR CD1 C 2.944 -8.477 4.339 1.00 . A A . 27 TYR CD1 1 1 11 4207 1 1 27 TYR CD2 C 1.417 -8.967 6.159 1.00 . A A . 27 TYR CD2 1 1 11 4208 1 1 27 TYR CE1 C 3.021 -9.842 4.036 1.00 . A A . 27 TYR CE1 1 1 11 4209 1 1 27 TYR CE2 C 1.495 -10.332 5.856 1.00 . A A . 27 TYR CE2 1 1 11 4210 1 1 27 TYR CG C 2.143 -8.040 5.401 1.00 . A A . 27 TYR CG 1 1 11 4211 1 1 27 TYR CZ C 2.296 -10.769 4.794 1.00 . A A . 27 TYR CZ 1 1 11 4212 1 1 27 TYR H H 2.192 -4.117 5.481 1.00 . A A . 27 TYR H 1 1 11 4213 1 1 27 TYR HA H 1.406 -6.280 3.700 1.00 . A A . 27 TYR HA 1 1 11 4214 1 1 27 TYR HB2 H 3.055 -6.143 5.736 1.00 . A A . 27 TYR HB2 1 1 11 4215 1 1 27 TYR HB3 H 1.605 -6.441 6.700 1.00 . A A . 27 TYR HB3 1 1 11 4216 1 1 27 TYR HD1 H 3.503 -7.762 3.754 1.00 . A A . 27 TYR HD1 1 1 11 4217 1 1 27 TYR HD2 H 0.800 -8.630 6.977 1.00 . A A . 27 TYR HD2 1 1 11 4218 1 1 27 TYR HE1 H 3.639 -10.179 3.217 1.00 . A A . 27 TYR HE1 1 1 11 4219 1 1 27 TYR HE2 H 0.936 -11.047 6.440 1.00 . A A . 27 TYR HE2 1 1 11 4220 1 1 27 TYR HH H 1.572 -12.360 4.027 1.00 . A A . 27 TYR HH 1 1 11 4221 1 1 27 TYR N N 1.658 -4.437 4.724 1.00 . A A . 27 TYR N 1 1 11 4222 1 1 27 TYR O O -0.760 -7.075 5.132 1.00 . A A . 27 TYR O 1 1 11 4223 1 1 27 TYR OXT O -0.901 -4.925 5.170 1.00 . A A . 27 TYR OXT 1 1 11 4224 1 1 27 TYR OH O 2.373 -12.114 4.496 1.00 . A A . 27 TYR OH 1 1 12 4225 1 1 1 GLY C C -2.881 -8.625 2.140 1.00 . A A . 1 GLY C 1 1 12 4226 1 1 1 GLY CA C -3.255 -9.779 1.209 1.00 . A A . 1 GLY CA 1 1 12 4227 1 1 1 GLY H1 H -5.068 -10.512 1.929 1.00 . A A . 1 GLY H1 1 1 12 4228 1 1 1 GLY H2 H -3.742 -10.818 2.947 1.00 . A A . 1 GLY H2 1 1 12 4229 1 1 1 GLY H3 H -3.948 -11.719 1.521 1.00 . A A . 1 GLY H3 1 1 12 4230 1 1 1 GLY HA2 H -2.358 -10.249 0.835 1.00 . A A . 1 GLY HA2 1 1 12 4231 1 1 1 GLY HA3 H -3.834 -9.396 0.382 1.00 . A A . 1 GLY HA3 1 1 12 4232 1 1 1 GLY N N -4.064 -10.783 1.959 1.00 . A A . 1 GLY N 1 1 12 4233 1 1 1 GLY O O -1.939 -8.710 2.902 1.00 . A A . 1 GLY O 1 1 12 4234 1 1 2 GLY C C -3.025 -5.150 2.099 1.00 . A A . 2 GLY C 1 1 12 4235 1 1 2 GLY CA C -3.296 -6.384 2.962 1.00 . A A . 2 GLY CA 1 1 12 4236 1 1 2 GLY H H -4.366 -7.496 1.459 1.00 . A A . 2 GLY H 1 1 12 4237 1 1 2 GLY HA2 H -4.133 -6.191 3.617 1.00 . A A . 2 GLY HA2 1 1 12 4238 1 1 2 GLY HA3 H -2.420 -6.605 3.553 1.00 . A A . 2 GLY HA3 1 1 12 4239 1 1 2 GLY N N -3.610 -7.545 2.083 1.00 . A A . 2 GLY N 1 1 12 4240 1 1 2 GLY O O -2.570 -4.131 2.581 1.00 . A A . 2 GLY O 1 1 12 4241 1 1 3 LEU C C -4.364 -3.318 -0.328 1.00 . A A . 3 LEU C 1 1 12 4242 1 1 3 LEU CA C -3.056 -4.067 -0.068 1.00 . A A . 3 LEU CA 1 1 12 4243 1 1 3 LEU CB C -2.518 -4.669 -1.366 1.00 . A A . 3 LEU CB 1 1 12 4244 1 1 3 LEU CD1 C -0.741 -6.123 -2.350 1.00 . A A . 3 LEU CD1 1 1 12 4245 1 1 3 LEU CD2 C -0.303 -4.874 -0.232 1.00 . A A . 3 LEU CD2 1 1 12 4246 1 1 3 LEU CG C -1.363 -5.618 -1.047 1.00 . A A . 3 LEU CG 1 1 12 4247 1 1 3 LEU H H -3.665 -6.066 0.458 1.00 . A A . 3 LEU H 1 1 12 4248 1 1 3 LEU HA H -2.323 -3.408 0.363 1.00 . A A . 3 LEU HA 1 1 12 4249 1 1 3 LEU HB2 H -3.308 -5.216 -1.862 1.00 . A A . 3 LEU HB2 1 1 12 4250 1 1 3 LEU HB3 H -2.166 -3.880 -2.011 1.00 . A A . 3 LEU HB3 1 1 12 4251 1 1 3 LEU HD11 H -0.256 -7.072 -2.175 1.00 . A A . 3 LEU HD11 1 1 12 4252 1 1 3 LEU HD12 H -0.013 -5.406 -2.703 1.00 . A A . 3 LEU HD12 1 1 12 4253 1 1 3 LEU HD13 H -1.513 -6.247 -3.094 1.00 . A A . 3 LEU HD13 1 1 12 4254 1 1 3 LEU HD21 H 0.660 -5.341 -0.381 1.00 . A A . 3 LEU HD21 1 1 12 4255 1 1 3 LEU HD22 H -0.563 -4.911 0.815 1.00 . A A . 3 LEU HD22 1 1 12 4256 1 1 3 LEU HD23 H -0.258 -3.845 -0.556 1.00 . A A . 3 LEU HD23 1 1 12 4257 1 1 3 LEU HG H -1.733 -6.459 -0.478 1.00 . A A . 3 LEU HG 1 1 12 4258 1 1 3 LEU N N -3.299 -5.234 0.827 1.00 . A A . 3 LEU N 1 1 12 4259 1 1 3 LEU O O -4.392 -2.107 -0.424 1.00 . A A . 3 LEU O 1 1 12 4260 1 1 4 GLY C C -6.905 -2.148 0.199 1.00 . A A . 4 GLY C 1 1 12 4261 1 1 4 GLY CA C -6.755 -3.375 -0.701 1.00 . A A . 4 GLY CA 1 1 12 4262 1 1 4 GLY H H -5.398 -5.007 -0.367 1.00 . A A . 4 GLY H 1 1 12 4263 1 1 4 GLY HA2 H -6.803 -3.071 -1.734 1.00 . A A . 4 GLY HA2 1 1 12 4264 1 1 4 GLY HA3 H -7.555 -4.070 -0.491 1.00 . A A . 4 GLY HA3 1 1 12 4265 1 1 4 GLY N N -5.446 -4.033 -0.444 1.00 . A A . 4 GLY N 1 1 12 4266 1 1 4 GLY O O -6.950 -1.027 -0.265 1.00 . A A . 4 GLY O 1 1 12 4267 1 1 5 ARG C C -5.853 -0.390 2.490 1.00 . A A . 5 ARG C 1 1 12 4268 1 1 5 ARG CA C -7.144 -1.209 2.419 1.00 . A A . 5 ARG CA 1 1 12 4269 1 1 5 ARG CB C -7.450 -1.846 3.775 1.00 . A A . 5 ARG CB 1 1 12 4270 1 1 5 ARG CD C -9.855 -1.269 4.122 1.00 . A A . 5 ARG CD 1 1 12 4271 1 1 5 ARG CG C -8.421 -0.955 4.550 1.00 . A A . 5 ARG CG 1 1 12 4272 1 1 5 ARG CZ C -10.050 0.677 2.692 1.00 . A A . 5 ARG CZ 1 1 12 4273 1 1 5 ARG H H -6.954 -3.272 1.826 1.00 . A A . 5 ARG H 1 1 12 4274 1 1 5 ARG HA H -7.965 -0.585 2.114 1.00 . A A . 5 ARG HA 1 1 12 4275 1 1 5 ARG HB2 H -7.895 -2.819 3.623 1.00 . A A . 5 ARG HB2 1 1 12 4276 1 1 5 ARG HB3 H -6.535 -1.953 4.338 1.00 . A A . 5 ARG HB3 1 1 12 4277 1 1 5 ARG HD2 H -9.855 -1.926 3.263 1.00 . A A . 5 ARG HD2 1 1 12 4278 1 1 5 ARG HD3 H -10.404 -1.712 4.937 1.00 . A A . 5 ARG HD3 1 1 12 4279 1 1 5 ARG HE H -11.134 0.451 4.341 1.00 . A A . 5 ARG HE 1 1 12 4280 1 1 5 ARG HG2 H -8.312 -1.141 5.610 1.00 . A A . 5 ARG HG2 1 1 12 4281 1 1 5 ARG HG3 H -8.204 0.081 4.342 1.00 . A A . 5 ARG HG3 1 1 12 4282 1 1 5 ARG HH11 H -9.762 2.426 3.629 1.00 . A A . 5 ARG HH11 1 1 12 4283 1 1 5 ARG HH12 H -9.416 2.423 1.936 1.00 . A A . 5 ARG HH12 1 1 12 4284 1 1 5 ARG HH21 H -10.236 -0.926 1.505 1.00 . A A . 5 ARG HH21 1 1 12 4285 1 1 5 ARG HH22 H -9.676 0.513 0.731 1.00 . A A . 5 ARG HH22 1 1 12 4286 1 1 5 ARG N N -6.988 -2.357 1.480 1.00 . A A . 5 ARG N 1 1 12 4287 1 1 5 ARG NE N -10.447 0.052 3.767 1.00 . A A . 5 ARG NE 1 1 12 4288 1 1 5 ARG NH1 N -9.715 1.940 2.757 1.00 . A A . 5 ARG NH1 1 1 12 4289 1 1 5 ARG NH2 N -9.983 0.039 1.553 1.00 . A A . 5 ARG NH2 1 1 12 4290 1 1 5 ARG O O -5.879 0.822 2.572 1.00 . A A . 5 ARG O 1 1 12 4291 1 1 6 CYS C C -3.474 0.926 1.616 1.00 . A A . 6 CYS C 1 1 12 4292 1 1 6 CYS CA C -3.436 -0.300 2.530 1.00 . A A . 6 CYS CA 1 1 12 4293 1 1 6 CYS CB C -2.382 -1.291 2.041 1.00 . A A . 6 CYS CB 1 1 12 4294 1 1 6 CYS H H -4.731 -2.019 2.396 1.00 . A A . 6 CYS H 1 1 12 4295 1 1 6 CYS HA H -3.223 -0.008 3.544 1.00 . A A . 6 CYS HA 1 1 12 4296 1 1 6 CYS HB2 H -2.871 -2.155 1.618 1.00 . A A . 6 CYS HB2 1 1 12 4297 1 1 6 CYS HB3 H -1.768 -0.821 1.286 1.00 . A A . 6 CYS HB3 1 1 12 4298 1 1 6 CYS N N -4.728 -1.042 2.461 1.00 . A A . 6 CYS N 1 1 12 4299 1 1 6 CYS O O -3.733 2.032 2.048 1.00 . A A . 6 CYS O 1 1 12 4300 1 1 6 CYS SG S -1.342 -1.804 3.431 1.00 . A A . 6 CYS SG 1 1 12 4301 1 1 7 ILE C C -4.464 2.722 -0.463 1.00 . A A . 7 ILE C 1 1 12 4302 1 1 7 ILE CA C -3.196 1.875 -0.596 1.00 . A A . 7 ILE CA 1 1 12 4303 1 1 7 ILE CB C -3.131 1.213 -1.966 1.00 . A A . 7 ILE CB 1 1 12 4304 1 1 7 ILE CD1 C -1.862 -0.928 -1.864 1.00 . A A . 7 ILE CD1 1 1 12 4305 1 1 7 ILE CG1 C -1.765 0.574 -2.137 1.00 . A A . 7 ILE CG1 1 1 12 4306 1 1 7 ILE CG2 C -3.357 2.254 -3.064 1.00 . A A . 7 ILE CG2 1 1 12 4307 1 1 7 ILE H H -2.980 -0.162 0.032 1.00 . A A . 7 ILE H 1 1 12 4308 1 1 7 ILE HA H -2.323 2.483 -0.441 1.00 . A A . 7 ILE HA 1 1 12 4309 1 1 7 ILE HB H -3.885 0.453 -2.029 1.00 . A A . 7 ILE HB 1 1 12 4310 1 1 7 ILE HD11 H -1.428 -1.148 -0.899 1.00 . A A . 7 ILE HD11 1 1 12 4311 1 1 7 ILE HD12 H -1.329 -1.468 -2.631 1.00 . A A . 7 ILE HD12 1 1 12 4312 1 1 7 ILE HD13 H -2.900 -1.227 -1.868 1.00 . A A . 7 ILE HD13 1 1 12 4313 1 1 7 ILE HG12 H -1.418 0.733 -3.141 1.00 . A A . 7 ILE HG12 1 1 12 4314 1 1 7 ILE HG13 H -1.082 1.021 -1.440 1.00 . A A . 7 ILE HG13 1 1 12 4315 1 1 7 ILE HG21 H -3.636 3.196 -2.616 1.00 . A A . 7 ILE HG21 1 1 12 4316 1 1 7 ILE HG22 H -4.149 1.919 -3.719 1.00 . A A . 7 ILE HG22 1 1 12 4317 1 1 7 ILE HG23 H -2.448 2.380 -3.633 1.00 . A A . 7 ILE HG23 1 1 12 4318 1 1 7 ILE N N -3.200 0.735 0.357 1.00 . A A . 7 ILE N 1 1 12 4319 1 1 7 ILE O O -4.397 3.931 -0.366 1.00 . A A . 7 ILE O 1 1 12 4320 1 1 8 TYR C C -6.712 4.002 0.697 1.00 . A A . 8 TYR C 1 1 12 4321 1 1 8 TYR CA C -6.872 2.905 -0.355 1.00 . A A . 8 TYR CA 1 1 12 4322 1 1 8 TYR CB C -7.959 1.915 0.038 1.00 . A A . 8 TYR CB 1 1 12 4323 1 1 8 TYR CD1 C -9.678 3.762 0.060 1.00 . A A . 8 TYR CD1 1 1 12 4324 1 1 8 TYR CD2 C -10.150 1.739 -1.192 1.00 . A A . 8 TYR CD2 1 1 12 4325 1 1 8 TYR CE1 C -10.915 4.291 -0.328 1.00 . A A . 8 TYR CE1 1 1 12 4326 1 1 8 TYR CE2 C -11.387 2.267 -1.579 1.00 . A A . 8 TYR CE2 1 1 12 4327 1 1 8 TYR CG C -9.296 2.485 -0.374 1.00 . A A . 8 TYR CG 1 1 12 4328 1 1 8 TYR CZ C -11.771 3.543 -1.147 1.00 . A A . 8 TYR CZ 1 1 12 4329 1 1 8 TYR H H -5.658 1.134 -0.559 1.00 . A A . 8 TYR H 1 1 12 4330 1 1 8 TYR HA H -7.123 3.342 -1.298 1.00 . A A . 8 TYR HA 1 1 12 4331 1 1 8 TYR HB2 H -7.793 0.976 -0.471 1.00 . A A . 8 TYR HB2 1 1 12 4332 1 1 8 TYR HB3 H -7.945 1.756 1.102 1.00 . A A . 8 TYR HB3 1 1 12 4333 1 1 8 TYR HD1 H -9.020 4.338 0.694 1.00 . A A . 8 TYR HD1 1 1 12 4334 1 1 8 TYR HD2 H -9.854 0.756 -1.524 1.00 . A A . 8 TYR HD2 1 1 12 4335 1 1 8 TYR HE1 H -11.211 5.274 0.005 1.00 . A A . 8 TYR HE1 1 1 12 4336 1 1 8 TYR HE2 H -12.047 1.691 -2.211 1.00 . A A . 8 TYR HE2 1 1 12 4337 1 1 8 TYR HH H -12.923 5.022 -1.503 1.00 . A A . 8 TYR HH 1 1 12 4338 1 1 8 TYR N N -5.617 2.108 -0.471 1.00 . A A . 8 TYR N 1 1 12 4339 1 1 8 TYR O O -6.547 5.160 0.375 1.00 . A A . 8 TYR O 1 1 12 4340 1 1 8 TYR OH O -12.989 4.065 -1.529 1.00 . A A . 8 TYR OH 1 1 12 4341 1 1 9 ASN C C -5.279 5.433 2.846 1.00 . A A . 9 ASN C 1 1 12 4342 1 1 9 ASN CA C -6.606 4.683 3.004 1.00 . A A . 9 ASN CA 1 1 12 4343 1 1 9 ASN CB C -6.627 3.895 4.310 1.00 . A A . 9 ASN CB 1 1 12 4344 1 1 9 ASN CG C -7.470 4.643 5.341 1.00 . A A . 9 ASN CG 1 1 12 4345 1 1 9 ASN H H -6.889 2.724 2.195 1.00 . A A . 9 ASN H 1 1 12 4346 1 1 9 ASN HA H -7.432 5.365 2.975 1.00 . A A . 9 ASN HA 1 1 12 4347 1 1 9 ASN HB2 H -7.056 2.919 4.133 1.00 . A A . 9 ASN HB2 1 1 12 4348 1 1 9 ASN HB3 H -5.622 3.784 4.678 1.00 . A A . 9 ASN HB3 1 1 12 4349 1 1 9 ASN HD21 H -9.125 3.632 4.921 1.00 . A A . 9 ASN HD21 1 1 12 4350 1 1 9 ASN HD22 H -9.281 4.809 6.131 1.00 . A A . 9 ASN HD22 1 1 12 4351 1 1 9 ASN N N -6.756 3.656 1.948 1.00 . A A . 9 ASN N 1 1 12 4352 1 1 9 ASN ND2 N -8.730 4.336 5.476 1.00 . A A . 9 ASN ND2 1 1 12 4353 1 1 9 ASN O O -5.172 6.597 3.176 1.00 . A A . 9 ASN O 1 1 12 4354 1 1 9 ASN OD1 O -6.979 5.515 6.030 1.00 . A A . 9 ASN OD1 1 1 12 4355 1 1 10 CYS C C -2.933 6.341 0.948 1.00 . A A . 10 CYS C 1 1 12 4356 1 1 10 CYS CA C -2.948 5.446 2.193 1.00 . A A . 10 CYS CA 1 1 12 4357 1 1 10 CYS CB C -1.928 4.307 2.074 1.00 . A A . 10 CYS CB 1 1 12 4358 1 1 10 CYS H H -4.362 3.840 2.105 1.00 . A A . 10 CYS H 1 1 12 4359 1 1 10 CYS HA H -2.735 6.027 3.059 1.00 . A A . 10 CYS HA 1 1 12 4360 1 1 10 CYS HB2 H -2.069 3.614 2.890 1.00 . A A . 10 CYS HB2 1 1 12 4361 1 1 10 CYS HB3 H -2.068 3.789 1.138 1.00 . A A . 10 CYS HB3 1 1 12 4362 1 1 10 CYS N N -4.264 4.775 2.355 1.00 . A A . 10 CYS N 1 1 12 4363 1 1 10 CYS O O -3.092 7.542 1.036 1.00 . A A . 10 CYS O 1 1 12 4364 1 1 10 CYS SG S -0.251 4.987 2.146 1.00 . A A . 10 CYS SG 1 1 12 4365 1 1 11 MET C C -3.861 7.568 -1.508 1.00 . A A . 11 MET C 1 1 12 4366 1 1 11 MET CA C -2.690 6.584 -1.448 1.00 . A A . 11 MET CA 1 1 12 4367 1 1 11 MET CB C -2.784 5.561 -2.572 1.00 . A A . 11 MET CB 1 1 12 4368 1 1 11 MET CE C 0.012 6.443 -3.189 1.00 . A A . 11 MET CE 1 1 12 4369 1 1 11 MET CG C -1.699 4.487 -2.399 1.00 . A A . 11 MET CG 1 1 12 4370 1 1 11 MET H H -2.596 4.807 -0.251 1.00 . A A . 11 MET H 1 1 12 4371 1 1 11 MET HA H -1.758 7.108 -1.520 1.00 . A A . 11 MET HA 1 1 12 4372 1 1 11 MET HB2 H -3.758 5.093 -2.543 1.00 . A A . 11 MET HB2 1 1 12 4373 1 1 11 MET HB3 H -2.649 6.057 -3.518 1.00 . A A . 11 MET HB3 1 1 12 4374 1 1 11 MET HE1 H 1.026 6.815 -3.224 1.00 . A A . 11 MET HE1 1 1 12 4375 1 1 11 MET HE2 H -0.663 7.264 -3.011 1.00 . A A . 11 MET HE2 1 1 12 4376 1 1 11 MET HE3 H -0.238 5.972 -4.129 1.00 . A A . 11 MET HE3 1 1 12 4377 1 1 11 MET HG2 H -2.022 3.767 -1.668 1.00 . A A . 11 MET HG2 1 1 12 4378 1 1 11 MET HG3 H -1.543 3.990 -3.343 1.00 . A A . 11 MET HG3 1 1 12 4379 1 1 11 MET N N -2.731 5.771 -0.203 1.00 . A A . 11 MET N 1 1 12 4380 1 1 11 MET O O -3.671 8.764 -1.604 1.00 . A A . 11 MET O 1 1 12 4381 1 1 11 MET SD S -0.138 5.233 -1.855 1.00 . A A . 11 MET SD 1 1 12 4382 1 1 12 ASN C C -6.005 9.236 -0.684 1.00 . A A . 12 ASN C 1 1 12 4383 1 1 12 ASN CA C -6.251 7.983 -1.527 1.00 . A A . 12 ASN CA 1 1 12 4384 1 1 12 ASN CB C -7.411 7.168 -0.953 1.00 . A A . 12 ASN CB 1 1 12 4385 1 1 12 ASN CG C -8.747 7.821 -1.328 1.00 . A A . 12 ASN CG 1 1 12 4386 1 1 12 ASN H H -5.192 6.107 -1.393 1.00 . A A . 12 ASN H 1 1 12 4387 1 1 12 ASN HA H -6.462 8.254 -2.546 1.00 . A A . 12 ASN HA 1 1 12 4388 1 1 12 ASN HB2 H -7.376 6.166 -1.356 1.00 . A A . 12 ASN HB2 1 1 12 4389 1 1 12 ASN HB3 H -7.324 7.126 0.121 1.00 . A A . 12 ASN HB3 1 1 12 4390 1 1 12 ASN HD21 H -7.923 9.493 -2.021 1.00 . A A . 12 ASN HD21 1 1 12 4391 1 1 12 ASN HD22 H -9.615 9.431 -2.101 1.00 . A A . 12 ASN HD22 1 1 12 4392 1 1 12 ASN N N -5.067 7.074 -1.463 1.00 . A A . 12 ASN N 1 1 12 4393 1 1 12 ASN ND2 N -8.762 9.014 -1.861 1.00 . A A . 12 ASN ND2 1 1 12 4394 1 1 12 ASN O O -5.863 10.326 -1.201 1.00 . A A . 12 ASN O 1 1 12 4395 1 1 12 ASN OD1 O -9.793 7.235 -1.133 1.00 . A A . 12 ASN OD1 1 1 12 4396 1 1 13 SER C C -4.513 11.067 0.970 1.00 . A A . 13 SER C 1 1 12 4397 1 1 13 SER CA C -5.711 10.264 1.484 1.00 . A A . 13 SER CA 1 1 12 4398 1 1 13 SER CB C -5.414 9.681 2.864 1.00 . A A . 13 SER CB 1 1 12 4399 1 1 13 SER H H -6.067 8.201 1.001 1.00 . A A . 13 SER H 1 1 12 4400 1 1 13 SER HA H -6.590 10.882 1.526 1.00 . A A . 13 SER HA 1 1 12 4401 1 1 13 SER HB2 H -6.252 9.090 3.195 1.00 . A A . 13 SER HB2 1 1 12 4402 1 1 13 SER HB3 H -4.535 9.054 2.808 1.00 . A A . 13 SER HB3 1 1 12 4403 1 1 13 SER HG H -5.936 10.758 4.400 1.00 . A A . 13 SER HG 1 1 12 4404 1 1 13 SER N N -5.951 9.087 0.608 1.00 . A A . 13 SER N 1 1 12 4405 1 1 13 SER O O -4.428 12.265 1.155 1.00 . A A . 13 SER O 1 1 12 4406 1 1 13 SER OG O -5.198 10.742 3.786 1.00 . A A . 13 SER OG 1 1 12 4407 1 1 14 GLY C C -1.186 10.187 -0.193 1.00 . A A . 14 GLY C 1 1 12 4408 1 1 14 GLY CA C -2.395 11.125 -0.195 1.00 . A A . 14 GLY CA 1 1 12 4409 1 1 14 GLY H H -3.670 9.456 0.194 1.00 . A A . 14 GLY H 1 1 12 4410 1 1 14 GLY HA2 H -2.591 11.465 -1.203 1.00 . A A . 14 GLY HA2 1 1 12 4411 1 1 14 GLY HA3 H -2.191 11.965 0.438 1.00 . A A . 14 GLY HA3 1 1 12 4412 1 1 14 GLY N N -3.584 10.412 0.328 1.00 . A A . 14 GLY N 1 1 12 4413 1 1 14 GLY O O -0.169 10.470 -0.794 1.00 . A A . 14 GLY O 1 1 12 4414 1 1 15 GLY C C 0.726 8.429 1.739 1.00 . A A . 15 GLY C 1 1 12 4415 1 1 15 GLY CA C -0.146 8.125 0.521 1.00 . A A . 15 GLY CA 1 1 12 4416 1 1 15 GLY H H -2.100 8.859 0.955 1.00 . A A . 15 GLY H 1 1 12 4417 1 1 15 GLY HA2 H -0.520 7.112 0.585 1.00 . A A . 15 GLY HA2 1 1 12 4418 1 1 15 GLY HA3 H 0.436 8.240 -0.371 1.00 . A A . 15 GLY HA3 1 1 12 4419 1 1 15 GLY N N -1.284 9.072 0.479 1.00 . A A . 15 GLY N 1 1 12 4420 1 1 15 GLY O O 1.611 7.673 2.085 1.00 . A A . 15 GLY O 1 1 12 4421 1 1 16 GLY C C 2.673 10.351 3.171 1.00 . A A . 16 GLY C 1 1 12 4422 1 1 16 GLY CA C 1.279 9.880 3.593 1.00 . A A . 16 GLY CA 1 1 12 4423 1 1 16 GLY H H -0.241 10.116 2.109 1.00 . A A . 16 GLY H 1 1 12 4424 1 1 16 GLY HA2 H 0.781 10.670 4.138 1.00 . A A . 16 GLY HA2 1 1 12 4425 1 1 16 GLY HA3 H 1.370 9.012 4.220 1.00 . A A . 16 GLY HA3 1 1 12 4426 1 1 16 GLY N N 0.477 9.528 2.397 1.00 . A A . 16 GLY N 1 1 12 4427 1 1 16 GLY O O 3.126 11.404 3.574 1.00 . A A . 16 GLY O 1 1 12 4428 1 1 17 LEU C C 5.074 9.435 0.561 1.00 . A A . 17 LEU C 1 1 12 4429 1 1 17 LEU CA C 4.729 9.997 1.945 1.00 . A A . 17 LEU CA 1 1 12 4430 1 1 17 LEU CB C 5.659 9.426 3.007 1.00 . A A . 17 LEU CB 1 1 12 4431 1 1 17 LEU CD1 C 6.469 7.094 2.864 1.00 . A A . 17 LEU CD1 1 1 12 4432 1 1 17 LEU CD2 C 4.986 7.787 4.750 1.00 . A A . 17 LEU CD2 1 1 12 4433 1 1 17 LEU CG C 5.295 7.973 3.265 1.00 . A A . 17 LEU CG 1 1 12 4434 1 1 17 LEU H H 2.989 8.733 2.063 1.00 . A A . 17 LEU H 1 1 12 4435 1 1 17 LEU HA H 4.808 11.061 1.943 1.00 . A A . 17 LEU HA 1 1 12 4436 1 1 17 LEU HB2 H 6.681 9.488 2.662 1.00 . A A . 17 LEU HB2 1 1 12 4437 1 1 17 LEU HB3 H 5.552 9.991 3.922 1.00 . A A . 17 LEU HB3 1 1 12 4438 1 1 17 LEU HD11 H 6.209 6.534 1.979 1.00 . A A . 17 LEU HD11 1 1 12 4439 1 1 17 LEU HD12 H 6.703 6.415 3.667 1.00 . A A . 17 LEU HD12 1 1 12 4440 1 1 17 LEU HD13 H 7.326 7.718 2.656 1.00 . A A . 17 LEU HD13 1 1 12 4441 1 1 17 LEU HD21 H 4.002 8.180 4.962 1.00 . A A . 17 LEU HD21 1 1 12 4442 1 1 17 LEU HD22 H 5.720 8.319 5.338 1.00 . A A . 17 LEU HD22 1 1 12 4443 1 1 17 LEU HD23 H 5.017 6.738 4.995 1.00 . A A . 17 LEU HD23 1 1 12 4444 1 1 17 LEU HG H 4.428 7.705 2.680 1.00 . A A . 17 LEU HG 1 1 12 4445 1 1 17 LEU N N 3.363 9.581 2.374 1.00 . A A . 17 LEU N 1 1 12 4446 1 1 17 LEU O O 5.774 10.061 -0.210 1.00 . A A . 17 LEU O 1 1 12 4447 1 1 18 SER C C 3.863 6.656 -1.514 1.00 . A A . 18 SER C 1 1 12 4448 1 1 18 SER CA C 4.918 7.677 -1.097 1.00 . A A . 18 SER CA 1 1 12 4449 1 1 18 SER CB C 6.266 6.989 -0.913 1.00 . A A . 18 SER CB 1 1 12 4450 1 1 18 SER H H 4.042 7.768 0.870 1.00 . A A . 18 SER H 1 1 12 4451 1 1 18 SER HA H 5.003 8.447 -1.842 1.00 . A A . 18 SER HA 1 1 12 4452 1 1 18 SER HB2 H 6.522 6.972 0.129 1.00 . A A . 18 SER HB2 1 1 12 4453 1 1 18 SER HB3 H 6.202 5.975 -1.281 1.00 . A A . 18 SER HB3 1 1 12 4454 1 1 18 SER HG H 7.587 7.140 -2.333 1.00 . A A . 18 SER HG 1 1 12 4455 1 1 18 SER N N 4.599 8.262 0.238 1.00 . A A . 18 SER N 1 1 12 4456 1 1 18 SER O O 2.802 6.558 -0.932 1.00 . A A . 18 SER O 1 1 12 4457 1 1 18 SER OG O 7.262 7.706 -1.630 1.00 . A A . 18 SER OG 1 1 12 4458 1 1 19 PHE C C 3.787 3.482 -2.730 1.00 . A A . 19 PHE C 1 1 12 4459 1 1 19 PHE CA C 3.212 4.860 -3.010 1.00 . A A . 19 PHE CA 1 1 12 4460 1 1 19 PHE CB C 3.114 5.102 -4.517 1.00 . A A . 19 PHE CB 1 1 12 4461 1 1 19 PHE CD1 C 1.236 3.515 -5.084 1.00 . A A . 19 PHE CD1 1 1 12 4462 1 1 19 PHE CD2 C 3.450 3.068 -5.965 1.00 . A A . 19 PHE CD2 1 1 12 4463 1 1 19 PHE CE1 C 0.750 2.368 -5.724 1.00 . A A . 19 PHE CE1 1 1 12 4464 1 1 19 PHE CE2 C 2.965 1.923 -6.604 1.00 . A A . 19 PHE CE2 1 1 12 4465 1 1 19 PHE CG C 2.585 3.865 -5.205 1.00 . A A . 19 PHE CG 1 1 12 4466 1 1 19 PHE CZ C 1.616 1.571 -6.484 1.00 . A A . 19 PHE CZ 1 1 12 4467 1 1 19 PHE H H 5.035 6.000 -2.964 1.00 . A A . 19 PHE H 1 1 12 4468 1 1 19 PHE HA H 2.249 4.974 -2.547 1.00 . A A . 19 PHE HA 1 1 12 4469 1 1 19 PHE HB2 H 2.451 5.929 -4.706 1.00 . A A . 19 PHE HB2 1 1 12 4470 1 1 19 PHE HB3 H 4.097 5.334 -4.906 1.00 . A A . 19 PHE HB3 1 1 12 4471 1 1 19 PHE HD1 H 0.568 4.130 -4.497 1.00 . A A . 19 PHE HD1 1 1 12 4472 1 1 19 PHE HD2 H 4.491 3.338 -6.057 1.00 . A A . 19 PHE HD2 1 1 12 4473 1 1 19 PHE HE1 H -0.290 2.098 -5.630 1.00 . A A . 19 PHE HE1 1 1 12 4474 1 1 19 PHE HE2 H 3.634 1.308 -7.189 1.00 . A A . 19 PHE HE2 1 1 12 4475 1 1 19 PHE HZ H 1.242 0.687 -6.978 1.00 . A A . 19 PHE HZ 1 1 12 4476 1 1 19 PHE N N 4.166 5.895 -2.523 1.00 . A A . 19 PHE N 1 1 12 4477 1 1 19 PHE O O 3.250 2.708 -1.965 1.00 . A A . 19 PHE O 1 1 12 4478 1 1 20 ILE C C 5.528 1.537 -1.628 1.00 . A A . 20 ILE C 1 1 12 4479 1 1 20 ILE CA C 5.524 1.857 -3.124 1.00 . A A . 20 ILE CA 1 1 12 4480 1 1 20 ILE CB C 6.953 2.003 -3.650 1.00 . A A . 20 ILE CB 1 1 12 4481 1 1 20 ILE CD1 C 9.052 3.338 -3.409 1.00 . A A . 20 ILE CD1 1 1 12 4482 1 1 20 ILE CG1 C 7.540 3.337 -3.180 1.00 . A A . 20 ILE CG1 1 1 12 4483 1 1 20 ILE CG2 C 6.943 1.961 -5.180 1.00 . A A . 20 ILE CG2 1 1 12 4484 1 1 20 ILE H H 5.295 3.834 -3.954 1.00 . A A . 20 ILE H 1 1 12 4485 1 1 20 ILE HA H 5.004 1.090 -3.673 1.00 . A A . 20 ILE HA 1 1 12 4486 1 1 20 ILE HB H 7.556 1.191 -3.275 1.00 . A A . 20 ILE HB 1 1 12 4487 1 1 20 ILE HD11 H 9.376 4.335 -3.668 1.00 . A A . 20 ILE HD11 1 1 12 4488 1 1 20 ILE HD12 H 9.294 2.660 -4.214 1.00 . A A . 20 ILE HD12 1 1 12 4489 1 1 20 ILE HD13 H 9.553 3.019 -2.508 1.00 . A A . 20 ILE HD13 1 1 12 4490 1 1 20 ILE HG12 H 7.093 4.146 -3.739 1.00 . A A . 20 ILE HG12 1 1 12 4491 1 1 20 ILE HG13 H 7.338 3.469 -2.128 1.00 . A A . 20 ILE HG13 1 1 12 4492 1 1 20 ILE HG21 H 7.944 1.774 -5.542 1.00 . A A . 20 ILE HG21 1 1 12 4493 1 1 20 ILE HG22 H 6.593 2.909 -5.564 1.00 . A A . 20 ILE HG22 1 1 12 4494 1 1 20 ILE HG23 H 6.285 1.173 -5.514 1.00 . A A . 20 ILE HG23 1 1 12 4495 1 1 20 ILE N N 4.887 3.181 -3.346 1.00 . A A . 20 ILE N 1 1 12 4496 1 1 20 ILE O O 5.521 0.391 -1.228 1.00 . A A . 20 ILE O 1 1 12 4497 1 1 21 GLN C C 4.179 1.702 1.094 1.00 . A A . 21 GLN C 1 1 12 4498 1 1 21 GLN CA C 5.523 2.299 0.674 1.00 . A A . 21 GLN CA 1 1 12 4499 1 1 21 GLN CB C 5.727 3.673 1.309 1.00 . A A . 21 GLN CB 1 1 12 4500 1 1 21 GLN CD C 8.156 3.819 1.864 1.00 . A A . 21 GLN CD 1 1 12 4501 1 1 21 GLN CG C 7.077 4.238 0.866 1.00 . A A . 21 GLN CG 1 1 12 4502 1 1 21 GLN H H 5.527 3.467 -1.141 1.00 . A A . 21 GLN H 1 1 12 4503 1 1 21 GLN HA H 6.332 1.640 0.948 1.00 . A A . 21 GLN HA 1 1 12 4504 1 1 21 GLN HB2 H 4.935 4.337 0.994 1.00 . A A . 21 GLN HB2 1 1 12 4505 1 1 21 GLN HB3 H 5.714 3.579 2.385 1.00 . A A . 21 GLN HB3 1 1 12 4506 1 1 21 GLN HE21 H 9.432 3.246 0.455 1.00 . A A . 21 GLN HE21 1 1 12 4507 1 1 21 GLN HE22 H 9.982 3.064 2.050 1.00 . A A . 21 GLN HE22 1 1 12 4508 1 1 21 GLN HG2 H 7.323 3.854 -0.113 1.00 . A A . 21 GLN HG2 1 1 12 4509 1 1 21 GLN HG3 H 7.022 5.314 0.828 1.00 . A A . 21 GLN HG3 1 1 12 4510 1 1 21 GLN N N 5.529 2.547 -0.797 1.00 . A A . 21 GLN N 1 1 12 4511 1 1 21 GLN NE2 N 9.284 3.337 1.420 1.00 . A A . 21 GLN NE2 1 1 12 4512 1 1 21 GLN O O 4.071 1.033 2.103 1.00 . A A . 21 GLN O 1 1 12 4513 1 1 21 GLN OE1 O 7.972 3.931 3.060 1.00 . A A . 21 GLN OE1 1 1 12 4514 1 1 22 CYS C C 1.371 0.406 -0.428 1.00 . A A . 22 CYS C 1 1 12 4515 1 1 22 CYS CA C 1.818 1.382 0.661 1.00 . A A . 22 CYS CA 1 1 12 4516 1 1 22 CYS CB C 0.885 2.594 0.697 1.00 . A A . 22 CYS CB 1 1 12 4517 1 1 22 CYS H H 3.268 2.478 -0.487 1.00 . A A . 22 CYS H 1 1 12 4518 1 1 22 CYS HA H 1.840 0.895 1.622 1.00 . A A . 22 CYS HA 1 1 12 4519 1 1 22 CYS HB2 H 1.201 3.311 -0.048 1.00 . A A . 22 CYS HB2 1 1 12 4520 1 1 22 CYS HB3 H -0.124 2.274 0.482 1.00 . A A . 22 CYS HB3 1 1 12 4521 1 1 22 CYS N N 3.156 1.937 0.323 1.00 . A A . 22 CYS N 1 1 12 4522 1 1 22 CYS O O 0.716 -0.582 -0.160 1.00 . A A . 22 CYS O 1 1 12 4523 1 1 22 CYS SG S 0.938 3.364 2.333 1.00 . A A . 22 CYS SG 1 1 12 4524 1 1 23 LYS C C 1.435 -1.687 -2.356 1.00 . A A . 23 LYS C 1 1 12 4525 1 1 23 LYS CA C 1.310 -0.220 -2.773 1.00 . A A . 23 LYS CA 1 1 12 4526 1 1 23 LYS CB C 2.278 0.094 -3.915 1.00 . A A . 23 LYS CB 1 1 12 4527 1 1 23 LYS CD C 0.536 -1.007 -5.340 1.00 . A A . 23 LYS CD 1 1 12 4528 1 1 23 LYS CE C 0.296 -2.053 -6.431 1.00 . A A . 23 LYS CE 1 1 12 4529 1 1 23 LYS CG C 2.039 -0.879 -5.074 1.00 . A A . 23 LYS CG 1 1 12 4530 1 1 23 LYS H H 2.240 1.493 -1.848 1.00 . A A . 23 LYS H 1 1 12 4531 1 1 23 LYS HA H 0.303 -0.004 -3.079 1.00 . A A . 23 LYS HA 1 1 12 4532 1 1 23 LYS HB2 H 2.117 1.107 -4.254 1.00 . A A . 23 LYS HB2 1 1 12 4533 1 1 23 LYS HB3 H 3.294 -0.010 -3.565 1.00 . A A . 23 LYS HB3 1 1 12 4534 1 1 23 LYS HD2 H 0.035 -1.312 -4.432 1.00 . A A . 23 LYS HD2 1 1 12 4535 1 1 23 LYS HD3 H 0.144 -0.055 -5.664 1.00 . A A . 23 LYS HD3 1 1 12 4536 1 1 23 LYS HE2 H 0.905 -2.928 -6.252 1.00 . A A . 23 LYS HE2 1 1 12 4537 1 1 23 LYS HE3 H -0.748 -2.322 -6.473 1.00 . A A . 23 LYS HE3 1 1 12 4538 1 1 23 LYS HG2 H 2.532 -0.510 -5.961 1.00 . A A . 23 LYS HG2 1 1 12 4539 1 1 23 LYS HG3 H 2.440 -1.847 -4.817 1.00 . A A . 23 LYS HG3 1 1 12 4540 1 1 23 LYS HZ1 H 0.612 -2.056 -8.489 1.00 . A A . 23 LYS HZ1 1 1 12 4541 1 1 23 LYS HZ2 H 1.690 -1.069 -7.622 1.00 . A A . 23 LYS HZ2 1 1 12 4542 1 1 23 LYS HZ3 H 0.087 -0.566 -7.873 1.00 . A A . 23 LYS HZ3 1 1 12 4543 1 1 23 LYS N N 1.717 0.684 -1.657 1.00 . A A . 23 LYS N 1 1 12 4544 1 1 23 LYS NZ N 0.702 -1.386 -7.700 1.00 . A A . 23 LYS NZ 1 1 12 4545 1 1 23 LYS O O 0.505 -2.458 -2.480 1.00 . A A . 23 LYS O 1 1 12 4546 1 1 24 THR C C 3.765 -3.609 -0.307 1.00 . A A . 24 THR C 1 1 12 4547 1 1 24 THR CA C 2.752 -3.500 -1.451 1.00 . A A . 24 THR CA 1 1 12 4548 1 1 24 THR CB C 3.276 -4.215 -2.699 1.00 . A A . 24 THR CB 1 1 12 4549 1 1 24 THR CG2 C 4.463 -3.442 -3.272 1.00 . A A . 24 THR CG2 1 1 12 4550 1 1 24 THR H H 3.313 -1.444 -1.782 1.00 . A A . 24 THR H 1 1 12 4551 1 1 24 THR HA H 1.806 -3.926 -1.157 1.00 . A A . 24 THR HA 1 1 12 4552 1 1 24 THR HB H 2.494 -4.265 -3.440 1.00 . A A . 24 THR HB 1 1 12 4553 1 1 24 THR HG1 H 2.898 -6.062 -2.220 1.00 . A A . 24 THR HG1 1 1 12 4554 1 1 24 THR HG21 H 4.590 -2.520 -2.725 1.00 . A A . 24 THR HG21 1 1 12 4555 1 1 24 THR HG22 H 4.280 -3.221 -4.313 1.00 . A A . 24 THR HG22 1 1 12 4556 1 1 24 THR HG23 H 5.359 -4.039 -3.183 1.00 . A A . 24 THR HG23 1 1 12 4557 1 1 24 THR N N 2.575 -2.080 -1.869 1.00 . A A . 24 THR N 1 1 12 4558 1 1 24 THR O O 4.218 -4.685 0.028 1.00 . A A . 24 THR O 1 1 12 4559 1 1 24 THR OG1 O 3.687 -5.530 -2.352 1.00 . A A . 24 THR OG1 1 1 12 4560 1 1 25 MET C C 4.398 -2.902 2.720 1.00 . A A . 25 MET C 1 1 12 4561 1 1 25 MET CA C 5.107 -2.566 1.407 1.00 . A A . 25 MET CA 1 1 12 4562 1 1 25 MET CB C 5.723 -1.170 1.464 1.00 . A A . 25 MET CB 1 1 12 4563 1 1 25 MET CE C 8.297 0.874 1.990 1.00 . A A . 25 MET CE 1 1 12 4564 1 1 25 MET CG C 7.051 -1.168 0.707 1.00 . A A . 25 MET CG 1 1 12 4565 1 1 25 MET H H 3.762 -1.651 0.019 1.00 . A A . 25 MET H 1 1 12 4566 1 1 25 MET HA H 5.861 -3.290 1.189 1.00 . A A . 25 MET HA 1 1 12 4567 1 1 25 MET HB2 H 5.048 -0.463 1.008 1.00 . A A . 25 MET HB2 1 1 12 4568 1 1 25 MET HB3 H 5.896 -0.893 2.493 1.00 . A A . 25 MET HB3 1 1 12 4569 1 1 25 MET HE1 H 7.397 1.141 2.525 1.00 . A A . 25 MET HE1 1 1 12 4570 1 1 25 MET HE2 H 8.264 1.298 1.000 1.00 . A A . 25 MET HE2 1 1 12 4571 1 1 25 MET HE3 H 9.162 1.256 2.515 1.00 . A A . 25 MET HE3 1 1 12 4572 1 1 25 MET HG2 H 7.176 -2.111 0.196 1.00 . A A . 25 MET HG2 1 1 12 4573 1 1 25 MET HG3 H 7.051 -0.367 -0.016 1.00 . A A . 25 MET HG3 1 1 12 4574 1 1 25 MET N N 4.127 -2.508 0.296 1.00 . A A . 25 MET N 1 1 12 4575 1 1 25 MET O O 4.825 -3.757 3.470 1.00 . A A . 25 MET O 1 1 12 4576 1 1 25 MET SD S 8.413 -0.928 1.874 1.00 . A A . 25 MET SD 1 1 12 4577 1 1 26 CYS C C 1.904 -3.880 4.194 1.00 . A A . 26 CYS C 1 1 12 4578 1 1 26 CYS CA C 2.571 -2.505 4.261 1.00 . A A . 26 CYS CA 1 1 12 4579 1 1 26 CYS CB C 1.517 -1.400 4.344 1.00 . A A . 26 CYS CB 1 1 12 4580 1 1 26 CYS H H 2.994 -1.550 2.378 1.00 . A A . 26 CYS H 1 1 12 4581 1 1 26 CYS HA H 3.233 -2.449 5.110 1.00 . A A . 26 CYS HA 1 1 12 4582 1 1 26 CYS HB2 H 0.868 -1.585 5.186 1.00 . A A . 26 CYS HB2 1 1 12 4583 1 1 26 CYS HB3 H 2.006 -0.446 4.469 1.00 . A A . 26 CYS HB3 1 1 12 4584 1 1 26 CYS N N 3.317 -2.232 2.999 1.00 . A A . 26 CYS N 1 1 12 4585 1 1 26 CYS O O 1.001 -4.107 3.413 1.00 . A A . 26 CYS O 1 1 12 4586 1 1 26 CYS SG S 0.537 -1.382 2.822 1.00 . A A . 26 CYS SG 1 1 12 4587 1 1 27 TYR C C 1.190 -6.515 6.369 1.00 . A A . 27 TYR C 1 1 12 4588 1 1 27 TYR CA C 1.745 -6.161 4.986 1.00 . A A . 27 TYR CA 1 1 12 4589 1 1 27 TYR CB C 2.901 -7.088 4.617 1.00 . A A . 27 TYR CB 1 1 12 4590 1 1 27 TYR CD1 C 2.204 -9.490 4.923 1.00 . A A . 27 TYR CD1 1 1 12 4591 1 1 27 TYR CD2 C 1.981 -8.481 2.729 1.00 . A A . 27 TYR CD2 1 1 12 4592 1 1 27 TYR CE1 C 1.690 -10.691 4.422 1.00 . A A . 27 TYR CE1 1 1 12 4593 1 1 27 TYR CE2 C 1.467 -9.683 2.228 1.00 . A A . 27 TYR CE2 1 1 12 4594 1 1 27 TYR CG C 2.349 -8.385 4.077 1.00 . A A . 27 TYR CG 1 1 12 4595 1 1 27 TYR CZ C 1.322 -10.788 3.074 1.00 . A A . 27 TYR CZ 1 1 12 4596 1 1 27 TYR H H 3.079 -4.599 5.624 1.00 . A A . 27 TYR H 1 1 12 4597 1 1 27 TYR HA H 0.969 -6.223 4.240 1.00 . A A . 27 TYR HA 1 1 12 4598 1 1 27 TYR HB2 H 3.513 -6.613 3.863 1.00 . A A . 27 TYR HB2 1 1 12 4599 1 1 27 TYR HB3 H 3.496 -7.286 5.496 1.00 . A A . 27 TYR HB3 1 1 12 4600 1 1 27 TYR HD1 H 2.488 -9.415 5.962 1.00 . A A . 27 TYR HD1 1 1 12 4601 1 1 27 TYR HD2 H 2.094 -7.628 2.076 1.00 . A A . 27 TYR HD2 1 1 12 4602 1 1 27 TYR HE1 H 1.578 -11.545 5.075 1.00 . A A . 27 TYR HE1 1 1 12 4603 1 1 27 TYR HE2 H 1.183 -9.757 1.189 1.00 . A A . 27 TYR HE2 1 1 12 4604 1 1 27 TYR HH H 0.301 -12.388 3.279 1.00 . A A . 27 TYR HH 1 1 12 4605 1 1 27 TYR N N 2.346 -4.801 5.004 1.00 . A A . 27 TYR N 1 1 12 4606 1 1 27 TYR O O 1.599 -5.884 7.329 1.00 . A A . 27 TYR O 1 1 12 4607 1 1 27 TYR OXT O 0.365 -7.411 6.443 1.00 . A A . 27 TYR OXT 1 1 12 4608 1 1 27 TYR OH O 0.814 -11.973 2.581 1.00 . A A . 27 TYR OH 1 1 13 4609 1 1 1 GLY C C -3.847 -8.458 3.438 1.00 . A A . 1 GLY C 1 1 13 4610 1 1 1 GLY CA C -3.579 -9.799 2.751 1.00 . A A . 1 GLY CA 1 1 13 4611 1 1 1 GLY H1 H -1.880 -10.690 1.942 1.00 . A A . 1 GLY H1 1 1 13 4612 1 1 1 GLY H2 H -1.618 -9.124 2.546 1.00 . A A . 1 GLY H2 1 1 13 4613 1 1 1 GLY H3 H -2.434 -9.344 1.072 1.00 . A A . 1 GLY H3 1 1 13 4614 1 1 1 GLY HA2 H -4.373 -10.012 2.051 1.00 . A A . 1 GLY HA2 1 1 13 4615 1 1 1 GLY HA3 H -3.535 -10.578 3.496 1.00 . A A . 1 GLY HA3 1 1 13 4616 1 1 1 GLY N N -2.279 -9.734 2.023 1.00 . A A . 1 GLY N 1 1 13 4617 1 1 1 GLY O O -3.736 -8.334 4.642 1.00 . A A . 1 GLY O 1 1 13 4618 1 1 2 GLY C C -4.020 -5.018 2.340 1.00 . A A . 2 GLY C 1 1 13 4619 1 1 2 GLY CA C -4.478 -6.122 3.293 1.00 . A A . 2 GLY CA 1 1 13 4620 1 1 2 GLY H H -4.286 -7.576 1.714 1.00 . A A . 2 GLY H 1 1 13 4621 1 1 2 GLY HA2 H -5.538 -6.025 3.478 1.00 . A A . 2 GLY HA2 1 1 13 4622 1 1 2 GLY HA3 H -3.940 -6.035 4.225 1.00 . A A . 2 GLY HA3 1 1 13 4623 1 1 2 GLY N N -4.201 -7.455 2.682 1.00 . A A . 2 GLY N 1 1 13 4624 1 1 2 GLY O O -4.487 -3.898 2.400 1.00 . A A . 2 GLY O 1 1 13 4625 1 1 3 LEU C C -3.798 -3.624 -0.212 1.00 . A A . 3 LEU C 1 1 13 4626 1 1 3 LEU CA C -2.617 -4.292 0.499 1.00 . A A . 3 LEU CA 1 1 13 4627 1 1 3 LEU CB C -1.751 -5.064 -0.494 1.00 . A A . 3 LEU CB 1 1 13 4628 1 1 3 LEU CD1 C 0.046 -6.799 -0.597 1.00 . A A . 3 LEU CD1 1 1 13 4629 1 1 3 LEU CD2 C 0.497 -4.596 0.490 1.00 . A A . 3 LEU CD2 1 1 13 4630 1 1 3 LEU CG C -0.560 -5.676 0.245 1.00 . A A . 3 LEU CG 1 1 13 4631 1 1 3 LEU H H -2.744 -6.233 1.426 1.00 . A A . 3 LEU H 1 1 13 4632 1 1 3 LEU HA H -2.019 -3.554 1.010 1.00 . A A . 3 LEU HA 1 1 13 4633 1 1 3 LEU HB2 H -2.337 -5.849 -0.950 1.00 . A A . 3 LEU HB2 1 1 13 4634 1 1 3 LEU HB3 H -1.391 -4.393 -1.258 1.00 . A A . 3 LEU HB3 1 1 13 4635 1 1 3 LEU HD11 H 1.047 -7.010 -0.250 1.00 . A A . 3 LEU HD11 1 1 13 4636 1 1 3 LEU HD12 H 0.080 -6.495 -1.633 1.00 . A A . 3 LEU HD12 1 1 13 4637 1 1 3 LEU HD13 H -0.561 -7.687 -0.503 1.00 . A A . 3 LEU HD13 1 1 13 4638 1 1 3 LEU HD21 H 1.452 -5.063 0.679 1.00 . A A . 3 LEU HD21 1 1 13 4639 1 1 3 LEU HD22 H 0.211 -4.002 1.346 1.00 . A A . 3 LEU HD22 1 1 13 4640 1 1 3 LEU HD23 H 0.572 -3.962 -0.381 1.00 . A A . 3 LEU HD23 1 1 13 4641 1 1 3 LEU HG H -0.893 -6.077 1.193 1.00 . A A . 3 LEU HG 1 1 13 4642 1 1 3 LEU N N -3.108 -5.323 1.459 1.00 . A A . 3 LEU N 1 1 13 4643 1 1 3 LEU O O -3.706 -2.503 -0.670 1.00 . A A . 3 LEU O 1 1 13 4644 1 1 4 GLY C C -6.353 -2.309 -0.448 1.00 . A A . 4 GLY C 1 1 13 4645 1 1 4 GLY CA C -6.091 -3.715 -0.988 1.00 . A A . 4 GLY CA 1 1 13 4646 1 1 4 GLY H H -4.961 -5.207 0.066 1.00 . A A . 4 GLY H 1 1 13 4647 1 1 4 GLY HA2 H -5.903 -3.666 -2.046 1.00 . A A . 4 GLY HA2 1 1 13 4648 1 1 4 GLY HA3 H -6.958 -4.335 -0.802 1.00 . A A . 4 GLY HA3 1 1 13 4649 1 1 4 GLY N N -4.907 -4.305 -0.307 1.00 . A A . 4 GLY N 1 1 13 4650 1 1 4 GLY O O -6.131 -1.321 -1.120 1.00 . A A . 4 GLY O 1 1 13 4651 1 1 5 ARG C C -5.802 -0.139 1.645 1.00 . A A . 5 ARG C 1 1 13 4652 1 1 5 ARG CA C -7.111 -0.874 1.354 1.00 . A A . 5 ARG CA 1 1 13 4653 1 1 5 ARG CB C -7.869 -1.167 2.649 1.00 . A A . 5 ARG CB 1 1 13 4654 1 1 5 ARG CD C -9.910 -0.920 1.217 1.00 . A A . 5 ARG CD 1 1 13 4655 1 1 5 ARG CG C -9.277 -0.570 2.568 1.00 . A A . 5 ARG CG 1 1 13 4656 1 1 5 ARG CZ C -9.724 0.362 -0.837 1.00 . A A . 5 ARG CZ 1 1 13 4657 1 1 5 ARG H H -6.999 -3.025 1.280 1.00 . A A . 5 ARG H 1 1 13 4658 1 1 5 ARG HA H -7.727 -0.289 0.690 1.00 . A A . 5 ARG HA 1 1 13 4659 1 1 5 ARG HB2 H -7.938 -2.237 2.790 1.00 . A A . 5 ARG HB2 1 1 13 4660 1 1 5 ARG HB3 H -7.341 -0.728 3.482 1.00 . A A . 5 ARG HB3 1 1 13 4661 1 1 5 ARG HD2 H -9.317 -1.665 0.708 1.00 . A A . 5 ARG HD2 1 1 13 4662 1 1 5 ARG HD3 H -10.921 -1.269 1.355 1.00 . A A . 5 ARG HD3 1 1 13 4663 1 1 5 ARG HE H -10.056 1.207 0.927 1.00 . A A . 5 ARG HE 1 1 13 4664 1 1 5 ARG HG2 H -9.884 -0.974 3.365 1.00 . A A . 5 ARG HG2 1 1 13 4665 1 1 5 ARG HG3 H -9.218 0.503 2.669 1.00 . A A . 5 ARG HG3 1 1 13 4666 1 1 5 ARG HH11 H -8.413 -1.153 -0.815 1.00 . A A . 5 ARG HH11 1 1 13 4667 1 1 5 ARG HH12 H -8.766 -0.489 -2.375 1.00 . A A . 5 ARG HH12 1 1 13 4668 1 1 5 ARG HH21 H -10.982 1.884 -1.167 1.00 . A A . 5 ARG HH21 1 1 13 4669 1 1 5 ARG HH22 H -10.215 1.228 -2.575 1.00 . A A . 5 ARG HH22 1 1 13 4670 1 1 5 ARG N N -6.828 -2.214 0.761 1.00 . A A . 5 ARG N 1 1 13 4671 1 1 5 ARG NE N -9.911 0.362 0.456 1.00 . A A . 5 ARG NE 1 1 13 4672 1 1 5 ARG NH1 N -8.904 -0.493 -1.385 1.00 . A A . 5 ARG NH1 1 1 13 4673 1 1 5 ARG NH2 N -10.356 1.225 -1.585 1.00 . A A . 5 ARG NH2 1 1 13 4674 1 1 5 ARG O O -5.757 1.075 1.684 1.00 . A A . 5 ARG O 1 1 13 4675 1 1 6 CYS C C -3.234 0.951 1.126 1.00 . A A . 6 CYS C 1 1 13 4676 1 1 6 CYS CA C -3.436 -0.191 2.117 1.00 . A A . 6 CYS CA 1 1 13 4677 1 1 6 CYS CB C -2.383 -1.273 1.904 1.00 . A A . 6 CYS CB 1 1 13 4678 1 1 6 CYS H H -4.786 -1.837 1.799 1.00 . A A . 6 CYS H 1 1 13 4679 1 1 6 CYS HA H -3.399 0.171 3.129 1.00 . A A . 6 CYS HA 1 1 13 4680 1 1 6 CYS HB2 H -2.631 -1.842 1.022 1.00 . A A . 6 CYS HB2 1 1 13 4681 1 1 6 CYS HB3 H -1.416 -0.813 1.775 1.00 . A A . 6 CYS HB3 1 1 13 4682 1 1 6 CYS N N -4.736 -0.860 1.842 1.00 . A A . 6 CYS N 1 1 13 4683 1 1 6 CYS O O -3.310 2.113 1.475 1.00 . A A . 6 CYS O 1 1 13 4684 1 1 6 CYS SG S -2.344 -2.368 3.344 1.00 . A A . 6 CYS SG 1 1 13 4685 1 1 7 ILE C C -3.943 2.676 -1.081 1.00 . A A . 7 ILE C 1 1 13 4686 1 1 7 ILE CA C -2.784 1.686 -1.127 1.00 . A A . 7 ILE CA 1 1 13 4687 1 1 7 ILE CB C -2.763 0.946 -2.459 1.00 . A A . 7 ILE CB 1 1 13 4688 1 1 7 ILE CD1 C -1.878 -1.365 -2.146 1.00 . A A . 7 ILE CD1 1 1 13 4689 1 1 7 ILE CG1 C -1.525 0.075 -2.520 1.00 . A A . 7 ILE CG1 1 1 13 4690 1 1 7 ILE CG2 C -2.730 1.947 -3.612 1.00 . A A . 7 ILE CG2 1 1 13 4691 1 1 7 ILE H H -2.930 -0.314 -0.370 1.00 . A A . 7 ILE H 1 1 13 4692 1 1 7 ILE HA H -1.847 2.189 -0.963 1.00 . A A . 7 ILE HA 1 1 13 4693 1 1 7 ILE HB H -3.634 0.327 -2.538 1.00 . A A . 7 ILE HB 1 1 13 4694 1 1 7 ILE HD11 H -2.919 -1.549 -2.365 1.00 . A A . 7 ILE HD11 1 1 13 4695 1 1 7 ILE HD12 H -1.699 -1.517 -1.091 1.00 . A A . 7 ILE HD12 1 1 13 4696 1 1 7 ILE HD13 H -1.263 -2.045 -2.717 1.00 . A A . 7 ILE HD13 1 1 13 4697 1 1 7 ILE HG12 H -1.127 0.099 -3.517 1.00 . A A . 7 ILE HG12 1 1 13 4698 1 1 7 ILE HG13 H -0.801 0.460 -1.831 1.00 . A A . 7 ILE HG13 1 1 13 4699 1 1 7 ILE HG21 H -3.339 1.580 -4.424 1.00 . A A . 7 ILE HG21 1 1 13 4700 1 1 7 ILE HG22 H -1.711 2.067 -3.953 1.00 . A A . 7 ILE HG22 1 1 13 4701 1 1 7 ILE HG23 H -3.111 2.898 -3.275 1.00 . A A . 7 ILE HG23 1 1 13 4702 1 1 7 ILE N N -2.983 0.628 -0.109 1.00 . A A . 7 ILE N 1 1 13 4703 1 1 7 ILE O O -3.756 3.869 -1.156 1.00 . A A . 7 ILE O 1 1 13 4704 1 1 8 TYR C C -6.055 4.182 0.180 1.00 . A A . 8 TYR C 1 1 13 4705 1 1 8 TYR CA C -6.299 3.125 -0.898 1.00 . A A . 8 TYR CA 1 1 13 4706 1 1 8 TYR CB C -7.498 2.249 -0.534 1.00 . A A . 8 TYR CB 1 1 13 4707 1 1 8 TYR CD1 C -9.406 3.806 -1.070 1.00 . A A . 8 TYR CD1 1 1 13 4708 1 1 8 TYR CD2 C -8.974 3.247 1.249 1.00 . A A . 8 TYR CD2 1 1 13 4709 1 1 8 TYR CE1 C -10.478 4.614 -0.675 1.00 . A A . 8 TYR CE1 1 1 13 4710 1 1 8 TYR CE2 C -10.046 4.055 1.644 1.00 . A A . 8 TYR CE2 1 1 13 4711 1 1 8 TYR CG C -8.653 3.122 -0.108 1.00 . A A . 8 TYR CG 1 1 13 4712 1 1 8 TYR CZ C -10.800 4.738 0.682 1.00 . A A . 8 TYR CZ 1 1 13 4713 1 1 8 TYR H H -5.280 1.225 -0.895 1.00 . A A . 8 TYR H 1 1 13 4714 1 1 8 TYR HA H -6.459 3.591 -1.856 1.00 . A A . 8 TYR HA 1 1 13 4715 1 1 8 TYR HB2 H -7.788 1.660 -1.392 1.00 . A A . 8 TYR HB2 1 1 13 4716 1 1 8 TYR HB3 H -7.227 1.590 0.278 1.00 . A A . 8 TYR HB3 1 1 13 4717 1 1 8 TYR HD1 H -9.159 3.710 -2.117 1.00 . A A . 8 TYR HD1 1 1 13 4718 1 1 8 TYR HD2 H -8.393 2.720 1.992 1.00 . A A . 8 TYR HD2 1 1 13 4719 1 1 8 TYR HE1 H -11.059 5.142 -1.417 1.00 . A A . 8 TYR HE1 1 1 13 4720 1 1 8 TYR HE2 H -10.293 4.151 2.692 1.00 . A A . 8 TYR HE2 1 1 13 4721 1 1 8 TYR HH H -12.661 5.013 1.005 1.00 . A A . 8 TYR HH 1 1 13 4722 1 1 8 TYR N N -5.142 2.194 -0.957 1.00 . A A . 8 TYR N 1 1 13 4723 1 1 8 TYR O O -5.727 5.315 -0.104 1.00 . A A . 8 TYR O 1 1 13 4724 1 1 8 TYR OH O -11.858 5.534 1.072 1.00 . A A . 8 TYR OH 1 1 13 4725 1 1 9 ASN C C -4.648 5.491 2.414 1.00 . A A . 9 ASN C 1 1 13 4726 1 1 9 ASN CA C -6.008 4.786 2.526 1.00 . A A . 9 ASN CA 1 1 13 4727 1 1 9 ASN CB C -6.064 3.942 3.800 1.00 . A A . 9 ASN CB 1 1 13 4728 1 1 9 ASN CG C -7.360 4.241 4.553 1.00 . A A . 9 ASN CG 1 1 13 4729 1 1 9 ASN H H -6.488 2.897 1.618 1.00 . A A . 9 ASN H 1 1 13 4730 1 1 9 ASN HA H -6.803 5.508 2.537 1.00 . A A . 9 ASN HA 1 1 13 4731 1 1 9 ASN HB2 H -6.030 2.894 3.538 1.00 . A A . 9 ASN HB2 1 1 13 4732 1 1 9 ASN HB3 H -5.220 4.184 4.429 1.00 . A A . 9 ASN HB3 1 1 13 4733 1 1 9 ASN HD21 H -7.249 6.201 4.258 1.00 . A A . 9 ASN HD21 1 1 13 4734 1 1 9 ASN HD22 H -8.601 5.676 5.140 1.00 . A A . 9 ASN HD22 1 1 13 4735 1 1 9 ASN N N -6.218 3.814 1.416 1.00 . A A . 9 ASN N 1 1 13 4736 1 1 9 ASN ND2 N -7.771 5.475 4.659 1.00 . A A . 9 ASN ND2 1 1 13 4737 1 1 9 ASN O O -4.459 6.568 2.944 1.00 . A A . 9 ASN O 1 1 13 4738 1 1 9 ASN OD1 O -8.009 3.341 5.050 1.00 . A A . 9 ASN OD1 1 1 13 4739 1 1 10 CYS C C -2.253 6.390 0.386 1.00 . A A . 10 CYS C 1 1 13 4740 1 1 10 CYS CA C -2.357 5.533 1.645 1.00 . A A . 10 CYS CA 1 1 13 4741 1 1 10 CYS CB C -1.382 4.357 1.578 1.00 . A A . 10 CYS CB 1 1 13 4742 1 1 10 CYS H H -3.840 4.025 1.347 1.00 . A A . 10 CYS H 1 1 13 4743 1 1 10 CYS HA H -2.161 6.117 2.508 1.00 . A A . 10 CYS HA 1 1 13 4744 1 1 10 CYS HB2 H -1.830 3.494 2.045 1.00 . A A . 10 CYS HB2 1 1 13 4745 1 1 10 CYS HB3 H -1.165 4.133 0.546 1.00 . A A . 10 CYS HB3 1 1 13 4746 1 1 10 CYS N N -3.691 4.894 1.754 1.00 . A A . 10 CYS N 1 1 13 4747 1 1 10 CYS O O -1.989 7.575 0.440 1.00 . A A . 10 CYS O 1 1 13 4748 1 1 10 CYS SG S 0.150 4.784 2.446 1.00 . A A . 10 CYS SG 1 1 13 4749 1 1 11 MET C C -3.561 7.384 -2.293 1.00 . A A . 11 MET C 1 1 13 4750 1 1 11 MET CA C -2.327 6.512 -2.029 1.00 . A A . 11 MET CA 1 1 13 4751 1 1 11 MET CB C -2.220 5.398 -3.062 1.00 . A A . 11 MET CB 1 1 13 4752 1 1 11 MET CE C 0.532 6.320 -3.271 1.00 . A A . 11 MET CE 1 1 13 4753 1 1 11 MET CG C -1.202 4.350 -2.589 1.00 . A A . 11 MET CG 1 1 13 4754 1 1 11 MET H H -2.624 4.828 -0.745 1.00 . A A . 11 MET H 1 1 13 4755 1 1 11 MET HA H -1.431 7.103 -2.050 1.00 . A A . 11 MET HA 1 1 13 4756 1 1 11 MET HB2 H -3.187 4.930 -3.179 1.00 . A A . 11 MET HB2 1 1 13 4757 1 1 11 MET HB3 H -1.900 5.809 -4.003 1.00 . A A . 11 MET HB3 1 1 13 4758 1 1 11 MET HE1 H 0.918 5.781 -4.125 1.00 . A A . 11 MET HE1 1 1 13 4759 1 1 11 MET HE2 H 1.241 7.074 -2.972 1.00 . A A . 11 MET HE2 1 1 13 4760 1 1 11 MET HE3 H -0.403 6.793 -3.532 1.00 . A A . 11 MET HE3 1 1 13 4761 1 1 11 MET HG2 H -1.653 3.736 -1.829 1.00 . A A . 11 MET HG2 1 1 13 4762 1 1 11 MET HG3 H -0.912 3.731 -3.420 1.00 . A A . 11 MET HG3 1 1 13 4763 1 1 11 MET N N -2.434 5.785 -0.741 1.00 . A A . 11 MET N 1 1 13 4764 1 1 11 MET O O -3.507 8.329 -3.054 1.00 . A A . 11 MET O 1 1 13 4765 1 1 11 MET SD S 0.264 5.166 -1.906 1.00 . A A . 11 MET SD 1 1 13 4766 1 1 12 ASN C C -5.834 9.201 -1.124 1.00 . A A . 12 ASN C 1 1 13 4767 1 1 12 ASN CA C -5.897 7.896 -1.920 1.00 . A A . 12 ASN CA 1 1 13 4768 1 1 12 ASN CB C -7.061 7.030 -1.437 1.00 . A A . 12 ASN CB 1 1 13 4769 1 1 12 ASN CG C -8.385 7.669 -1.859 1.00 . A A . 12 ASN CG 1 1 13 4770 1 1 12 ASN H H -4.704 6.308 -1.075 1.00 . A A . 12 ASN H 1 1 13 4771 1 1 12 ASN HA H -6.009 8.106 -2.969 1.00 . A A . 12 ASN HA 1 1 13 4772 1 1 12 ASN HB2 H -6.980 6.044 -1.873 1.00 . A A . 12 ASN HB2 1 1 13 4773 1 1 12 ASN HB3 H -7.028 6.951 -0.361 1.00 . A A . 12 ASN HB3 1 1 13 4774 1 1 12 ASN HD21 H -9.163 7.595 -0.034 1.00 . A A . 12 ASN HD21 1 1 13 4775 1 1 12 ASN HD22 H -10.167 8.269 -1.225 1.00 . A A . 12 ASN HD22 1 1 13 4776 1 1 12 ASN N N -4.672 7.076 -1.682 1.00 . A A . 12 ASN N 1 1 13 4777 1 1 12 ASN ND2 N -9.316 7.860 -0.966 1.00 . A A . 12 ASN ND2 1 1 13 4778 1 1 12 ASN O O -5.995 10.277 -1.663 1.00 . A A . 12 ASN O 1 1 13 4779 1 1 12 ASN OD1 O -8.574 7.998 -3.014 1.00 . A A . 12 ASN OD1 1 1 13 4780 1 1 13 SER C C -5.499 9.971 2.474 1.00 . A A . 13 SER C 1 1 13 4781 1 1 13 SER CA C -5.519 10.341 0.989 1.00 . A A . 13 SER CA 1 1 13 4782 1 1 13 SER CB C -6.777 11.141 0.651 1.00 . A A . 13 SER CB 1 1 13 4783 1 1 13 SER H H -5.467 8.237 0.562 1.00 . A A . 13 SER H 1 1 13 4784 1 1 13 SER HA H -4.642 10.907 0.732 1.00 . A A . 13 SER HA 1 1 13 4785 1 1 13 SER HB2 H -6.519 11.973 0.017 1.00 . A A . 13 SER HB2 1 1 13 4786 1 1 13 SER HB3 H -7.481 10.501 0.133 1.00 . A A . 13 SER HB3 1 1 13 4787 1 1 13 SER HG H -7.576 12.559 1.718 1.00 . A A . 13 SER HG 1 1 13 4788 1 1 13 SER N N -5.597 9.112 0.153 1.00 . A A . 13 SER N 1 1 13 4789 1 1 13 SER O O -6.509 9.620 3.051 1.00 . A A . 13 SER O 1 1 13 4790 1 1 13 SER OG O -7.359 11.633 1.851 1.00 . A A . 13 SER OG 1 1 13 4791 1 1 14 GLY C C -2.803 9.794 4.980 1.00 . A A . 14 GLY C 1 1 13 4792 1 1 14 GLY CA C -4.260 9.705 4.532 1.00 . A A . 14 GLY CA 1 1 13 4793 1 1 14 GLY H H -3.559 10.329 2.618 1.00 . A A . 14 GLY H 1 1 13 4794 1 1 14 GLY HA2 H -4.858 10.395 5.103 1.00 . A A . 14 GLY HA2 1 1 13 4795 1 1 14 GLY HA3 H -4.617 8.701 4.680 1.00 . A A . 14 GLY HA3 1 1 13 4796 1 1 14 GLY N N -4.355 10.047 3.096 1.00 . A A . 14 GLY N 1 1 13 4797 1 1 14 GLY O O -2.396 10.741 5.624 1.00 . A A . 14 GLY O 1 1 13 4798 1 1 15 GLY C C 0.233 7.981 4.070 1.00 . A A . 15 GLY C 1 1 13 4799 1 1 15 GLY CA C -0.581 8.834 5.045 1.00 . A A . 15 GLY CA 1 1 13 4800 1 1 15 GLY H H -2.368 8.063 4.125 1.00 . A A . 15 GLY H 1 1 13 4801 1 1 15 GLY HA2 H -0.215 9.853 5.025 1.00 . A A . 15 GLY HA2 1 1 13 4802 1 1 15 GLY HA3 H -0.480 8.431 6.041 1.00 . A A . 15 GLY HA3 1 1 13 4803 1 1 15 GLY N N -2.016 8.814 4.643 1.00 . A A . 15 GLY N 1 1 13 4804 1 1 15 GLY O O 0.426 6.800 4.279 1.00 . A A . 15 GLY O 1 1 13 4805 1 1 16 GLY C C 2.281 8.770 1.127 1.00 . A A . 16 GLY C 1 1 13 4806 1 1 16 GLY CA C 1.513 7.801 2.026 1.00 . A A . 16 GLY CA 1 1 13 4807 1 1 16 GLY H H 0.552 9.514 2.861 1.00 . A A . 16 GLY H 1 1 13 4808 1 1 16 GLY HA2 H 2.206 7.174 2.557 1.00 . A A . 16 GLY HA2 1 1 13 4809 1 1 16 GLY HA3 H 0.856 7.196 1.422 1.00 . A A . 16 GLY HA3 1 1 13 4810 1 1 16 GLY N N 0.713 8.570 3.009 1.00 . A A . 16 GLY N 1 1 13 4811 1 1 16 GLY O O 1.771 9.250 0.134 1.00 . A A . 16 GLY O 1 1 13 4812 1 1 17 LEU C C 4.642 9.381 -0.718 1.00 . A A . 17 LEU C 1 1 13 4813 1 1 17 LEU CA C 4.307 10.007 0.638 1.00 . A A . 17 LEU CA 1 1 13 4814 1 1 17 LEU CB C 5.574 10.256 1.440 1.00 . A A . 17 LEU CB 1 1 13 4815 1 1 17 LEU CD1 C 7.555 8.802 1.135 1.00 . A A . 17 LEU CD1 1 1 13 4816 1 1 17 LEU CD2 C 6.361 8.857 3.329 1.00 . A A . 17 LEU CD2 1 1 13 4817 1 1 17 LEU CG C 6.196 8.923 1.813 1.00 . A A . 17 LEU CG 1 1 13 4818 1 1 17 LEU H H 3.897 8.669 2.276 1.00 . A A . 17 LEU H 1 1 13 4819 1 1 17 LEU HA H 3.783 10.928 0.506 1.00 . A A . 17 LEU HA 1 1 13 4820 1 1 17 LEU HB2 H 6.272 10.828 0.844 1.00 . A A . 17 LEU HB2 1 1 13 4821 1 1 17 LEU HB3 H 5.332 10.804 2.338 1.00 . A A . 17 LEU HB3 1 1 13 4822 1 1 17 LEU HD11 H 8.313 9.224 1.775 1.00 . A A . 17 LEU HD11 1 1 13 4823 1 1 17 LEU HD12 H 7.534 9.339 0.197 1.00 . A A . 17 LEU HD12 1 1 13 4824 1 1 17 LEU HD13 H 7.773 7.762 0.950 1.00 . A A . 17 LEU HD13 1 1 13 4825 1 1 17 LEU HD21 H 7.401 8.995 3.583 1.00 . A A . 17 LEU HD21 1 1 13 4826 1 1 17 LEU HD22 H 6.024 7.896 3.686 1.00 . A A . 17 LEU HD22 1 1 13 4827 1 1 17 LEU HD23 H 5.771 9.639 3.786 1.00 . A A . 17 LEU HD23 1 1 13 4828 1 1 17 LEU HG H 5.554 8.119 1.482 1.00 . A A . 17 LEU HG 1 1 13 4829 1 1 17 LEU N N 3.506 9.065 1.470 1.00 . A A . 17 LEU N 1 1 13 4830 1 1 17 LEU O O 4.839 10.072 -1.698 1.00 . A A . 17 LEU O 1 1 13 4831 1 1 18 SER C C 3.932 6.422 -2.466 1.00 . A A . 18 SER C 1 1 13 4832 1 1 18 SER CA C 5.027 7.419 -2.086 1.00 . A A . 18 SER CA 1 1 13 4833 1 1 18 SER CB C 6.347 6.688 -1.847 1.00 . A A . 18 SER CB 1 1 13 4834 1 1 18 SER H H 4.543 7.537 0.013 1.00 . A A . 18 SER H 1 1 13 4835 1 1 18 SER HA H 5.152 8.155 -2.862 1.00 . A A . 18 SER HA 1 1 13 4836 1 1 18 SER HB2 H 6.452 6.460 -0.802 1.00 . A A . 18 SER HB2 1 1 13 4837 1 1 18 SER HB3 H 6.354 5.767 -2.415 1.00 . A A . 18 SER HB3 1 1 13 4838 1 1 18 SER HG H 7.674 8.072 -1.514 1.00 . A A . 18 SER HG 1 1 13 4839 1 1 18 SER N N 4.706 8.079 -0.787 1.00 . A A . 18 SER N 1 1 13 4840 1 1 18 SER O O 2.884 6.365 -1.854 1.00 . A A . 18 SER O 1 1 13 4841 1 1 18 SER OG O 7.426 7.518 -2.258 1.00 . A A . 18 SER OG 1 1 13 4842 1 1 19 PHE C C 3.721 3.227 -3.735 1.00 . A A . 19 PHE C 1 1 13 4843 1 1 19 PHE CA C 3.160 4.631 -3.907 1.00 . A A . 19 PHE CA 1 1 13 4844 1 1 19 PHE CB C 2.907 4.934 -5.382 1.00 . A A . 19 PHE CB 1 1 13 4845 1 1 19 PHE CD1 C 0.530 4.706 -6.187 1.00 . A A . 19 PHE CD1 1 1 13 4846 1 1 19 PHE CD2 C 1.906 2.715 -6.036 1.00 . A A . 19 PHE CD2 1 1 13 4847 1 1 19 PHE CE1 C -0.539 3.931 -6.653 1.00 . A A . 19 PHE CE1 1 1 13 4848 1 1 19 PHE CE2 C 0.837 1.941 -6.501 1.00 . A A . 19 PHE CE2 1 1 13 4849 1 1 19 PHE CG C 1.753 4.097 -5.879 1.00 . A A . 19 PHE CG 1 1 13 4850 1 1 19 PHE CZ C -0.385 2.549 -6.810 1.00 . A A . 19 PHE CZ 1 1 13 4851 1 1 19 PHE H H 5.030 5.698 -3.948 1.00 . A A . 19 PHE H 1 1 13 4852 1 1 19 PHE HA H 2.253 4.739 -3.343 1.00 . A A . 19 PHE HA 1 1 13 4853 1 1 19 PHE HB2 H 2.671 5.981 -5.498 1.00 . A A . 19 PHE HB2 1 1 13 4854 1 1 19 PHE HB3 H 3.793 4.697 -5.955 1.00 . A A . 19 PHE HB3 1 1 13 4855 1 1 19 PHE HD1 H 0.411 5.771 -6.064 1.00 . A A . 19 PHE HD1 1 1 13 4856 1 1 19 PHE HD2 H 2.849 2.245 -5.797 1.00 . A A . 19 PHE HD2 1 1 13 4857 1 1 19 PHE HE1 H -1.481 4.401 -6.890 1.00 . A A . 19 PHE HE1 1 1 13 4858 1 1 19 PHE HE2 H 0.956 0.875 -6.624 1.00 . A A . 19 PHE HE2 1 1 13 4859 1 1 19 PHE HZ H -1.210 1.952 -7.169 1.00 . A A . 19 PHE HZ 1 1 13 4860 1 1 19 PHE N N 4.174 5.634 -3.475 1.00 . A A . 19 PHE N 1 1 13 4861 1 1 19 PHE O O 3.183 2.415 -3.007 1.00 . A A . 19 PHE O 1 1 13 4862 1 1 20 ILE C C 5.468 1.266 -2.742 1.00 . A A . 20 ILE C 1 1 13 4863 1 1 20 ILE CA C 5.403 1.579 -4.230 1.00 . A A . 20 ILE CA 1 1 13 4864 1 1 20 ILE CB C 6.819 1.631 -4.822 1.00 . A A . 20 ILE CB 1 1 13 4865 1 1 20 ILE CD1 C 7.430 3.904 -5.625 1.00 . A A . 20 ILE CD1 1 1 13 4866 1 1 20 ILE CG1 C 6.856 2.550 -6.043 1.00 . A A . 20 ILE CG1 1 1 13 4867 1 1 20 ILE CG2 C 7.244 0.223 -5.243 1.00 . A A . 20 ILE CG2 1 1 13 4868 1 1 20 ILE H H 5.225 3.612 -4.950 1.00 . A A . 20 ILE H 1 1 13 4869 1 1 20 ILE HA H 4.805 0.843 -4.743 1.00 . A A . 20 ILE HA 1 1 13 4870 1 1 20 ILE HB H 7.505 2.001 -4.072 1.00 . A A . 20 ILE HB 1 1 13 4871 1 1 20 ILE HD11 H 8.503 3.892 -5.742 1.00 . A A . 20 ILE HD11 1 1 13 4872 1 1 20 ILE HD12 H 7.185 4.093 -4.590 1.00 . A A . 20 ILE HD12 1 1 13 4873 1 1 20 ILE HD13 H 7.007 4.681 -6.243 1.00 . A A . 20 ILE HD13 1 1 13 4874 1 1 20 ILE HG12 H 7.480 2.109 -6.807 1.00 . A A . 20 ILE HG12 1 1 13 4875 1 1 20 ILE HG13 H 5.856 2.685 -6.426 1.00 . A A . 20 ILE HG13 1 1 13 4876 1 1 20 ILE HG21 H 6.366 -0.384 -5.407 1.00 . A A . 20 ILE HG21 1 1 13 4877 1 1 20 ILE HG22 H 7.848 -0.219 -4.464 1.00 . A A . 20 ILE HG22 1 1 13 4878 1 1 20 ILE HG23 H 7.819 0.280 -6.155 1.00 . A A . 20 ILE HG23 1 1 13 4879 1 1 20 ILE N N 4.807 2.937 -4.384 1.00 . A A . 20 ILE N 1 1 13 4880 1 1 20 ILE O O 5.348 0.132 -2.322 1.00 . A A . 20 ILE O 1 1 13 4881 1 1 21 GLN C C 4.370 1.426 -0.030 1.00 . A A . 21 GLN C 1 1 13 4882 1 1 21 GLN CA C 5.687 2.063 -0.474 1.00 . A A . 21 GLN CA 1 1 13 4883 1 1 21 GLN CB C 5.847 3.458 0.134 1.00 . A A . 21 GLN CB 1 1 13 4884 1 1 21 GLN CD C 8.171 2.791 0.767 1.00 . A A . 21 GLN CD 1 1 13 4885 1 1 21 GLN CG C 7.321 3.867 0.093 1.00 . A A . 21 GLN CG 1 1 13 4886 1 1 21 GLN H H 5.714 3.188 -2.305 1.00 . A A . 21 GLN H 1 1 13 4887 1 1 21 GLN HA H 6.526 1.440 -0.214 1.00 . A A . 21 GLN HA 1 1 13 4888 1 1 21 GLN HB2 H 5.260 4.165 -0.434 1.00 . A A . 21 GLN HB2 1 1 13 4889 1 1 21 GLN HB3 H 5.506 3.447 1.157 1.00 . A A . 21 GLN HB3 1 1 13 4890 1 1 21 GLN HE21 H 9.581 2.838 -0.630 1.00 . A A . 21 GLN HE21 1 1 13 4891 1 1 21 GLN HE22 H 9.846 1.735 0.631 1.00 . A A . 21 GLN HE22 1 1 13 4892 1 1 21 GLN HG2 H 7.634 3.983 -0.934 1.00 . A A . 21 GLN HG2 1 1 13 4893 1 1 21 GLN HG3 H 7.448 4.804 0.616 1.00 . A A . 21 GLN HG3 1 1 13 4894 1 1 21 GLN N N 5.637 2.282 -1.940 1.00 . A A . 21 GLN N 1 1 13 4895 1 1 21 GLN NE2 N 9.293 2.423 0.209 1.00 . A A . 21 GLN NE2 1 1 13 4896 1 1 21 GLN O O 4.296 0.239 0.221 1.00 . A A . 21 GLN O 1 1 13 4897 1 1 21 GLN OE1 O 7.812 2.278 1.808 1.00 . A A . 21 GLN OE1 1 1 13 4898 1 1 22 CYS C C 1.636 0.503 -0.523 1.00 . A A . 22 CYS C 1 1 13 4899 1 1 22 CYS CA C 2.006 1.633 0.439 1.00 . A A . 22 CYS CA 1 1 13 4900 1 1 22 CYS CB C 1.003 2.787 0.318 1.00 . A A . 22 CYS CB 1 1 13 4901 1 1 22 CYS H H 3.397 3.149 -0.187 1.00 . A A . 22 CYS H 1 1 13 4902 1 1 22 CYS HA H 2.039 1.273 1.455 1.00 . A A . 22 CYS HA 1 1 13 4903 1 1 22 CYS HB2 H 0.857 3.026 -0.727 1.00 . A A . 22 CYS HB2 1 1 13 4904 1 1 22 CYS HB3 H 0.062 2.490 0.754 1.00 . A A . 22 CYS HB3 1 1 13 4905 1 1 22 CYS N N 3.322 2.202 0.040 1.00 . A A . 22 CYS N 1 1 13 4906 1 1 22 CYS O O 1.014 -0.470 -0.146 1.00 . A A . 22 CYS O 1 1 13 4907 1 1 22 CYS SG S 1.635 4.247 1.183 1.00 . A A . 22 CYS SG 1 1 13 4908 1 1 23 LYS C C 2.533 -1.696 -2.479 1.00 . A A . 23 LYS C 1 1 13 4909 1 1 23 LYS CA C 1.697 -0.441 -2.754 1.00 . A A . 23 LYS CA 1 1 13 4910 1 1 23 LYS CB C 2.063 0.154 -4.113 1.00 . A A . 23 LYS CB 1 1 13 4911 1 1 23 LYS CD C 0.231 -1.045 -5.307 1.00 . A A . 23 LYS CD 1 1 13 4912 1 1 23 LYS CE C -0.094 -2.035 -6.428 1.00 . A A . 23 LYS CE 1 1 13 4913 1 1 23 LYS CG C 1.746 -0.859 -5.213 1.00 . A A . 23 LYS CG 1 1 13 4914 1 1 23 LYS H H 2.526 1.419 -2.055 1.00 . A A . 23 LYS H 1 1 13 4915 1 1 23 LYS HA H 0.646 -0.675 -2.727 1.00 . A A . 23 LYS HA 1 1 13 4916 1 1 23 LYS HB2 H 1.491 1.056 -4.276 1.00 . A A . 23 LYS HB2 1 1 13 4917 1 1 23 LYS HB3 H 3.116 0.386 -4.132 1.00 . A A . 23 LYS HB3 1 1 13 4918 1 1 23 LYS HD2 H -0.143 -1.426 -4.368 1.00 . A A . 23 LYS HD2 1 1 13 4919 1 1 23 LYS HD3 H -0.234 -0.095 -5.523 1.00 . A A . 23 LYS HD3 1 1 13 4920 1 1 23 LYS HE2 H 0.629 -2.840 -6.437 1.00 . A A . 23 LYS HE2 1 1 13 4921 1 1 23 LYS HE3 H -1.092 -2.426 -6.308 1.00 . A A . 23 LYS HE3 1 1 13 4922 1 1 23 LYS HG2 H 2.127 -0.497 -6.157 1.00 . A A . 23 LYS HG2 1 1 13 4923 1 1 23 LYS HG3 H 2.209 -1.804 -4.977 1.00 . A A . 23 LYS HG3 1 1 13 4924 1 1 23 LYS HZ1 H 0.959 -0.856 -7.782 1.00 . A A . 23 LYS HZ1 1 1 13 4925 1 1 23 LYS HZ2 H -0.685 -0.452 -7.643 1.00 . A A . 23 LYS HZ2 1 1 13 4926 1 1 23 LYS HZ3 H -0.218 -1.846 -8.496 1.00 . A A . 23 LYS HZ3 1 1 13 4927 1 1 23 LYS N N 2.021 0.625 -1.768 1.00 . A A . 23 LYS N 1 1 13 4928 1 1 23 LYS NZ N -0.003 -1.237 -7.682 1.00 . A A . 23 LYS NZ 1 1 13 4929 1 1 23 LYS O O 2.346 -2.724 -3.099 1.00 . A A . 23 LYS O 1 1 13 4930 1 1 24 THR C C 4.944 -2.712 0.123 1.00 . A A . 24 THR C 1 1 13 4931 1 1 24 THR CA C 4.299 -2.821 -1.263 1.00 . A A . 24 THR CA 1 1 13 4932 1 1 24 THR CB C 5.373 -2.824 -2.352 1.00 . A A . 24 THR CB 1 1 13 4933 1 1 24 THR CG2 C 5.741 -4.266 -2.707 1.00 . A A . 24 THR CG2 1 1 13 4934 1 1 24 THR H H 3.601 -0.788 -1.067 1.00 . A A . 24 THR H 1 1 13 4935 1 1 24 THR HA H 3.707 -3.719 -1.332 1.00 . A A . 24 THR HA 1 1 13 4936 1 1 24 THR HB H 6.252 -2.311 -1.993 1.00 . A A . 24 THR HB 1 1 13 4937 1 1 24 THR HG1 H 5.619 -1.975 -4.085 1.00 . A A . 24 THR HG1 1 1 13 4938 1 1 24 THR HG21 H 6.672 -4.275 -3.254 1.00 . A A . 24 THR HG21 1 1 13 4939 1 1 24 THR HG22 H 4.961 -4.697 -3.317 1.00 . A A . 24 THR HG22 1 1 13 4940 1 1 24 THR HG23 H 5.850 -4.843 -1.801 1.00 . A A . 24 THR HG23 1 1 13 4941 1 1 24 THR N N 3.458 -1.624 -1.559 1.00 . A A . 24 THR N 1 1 13 4942 1 1 24 THR O O 6.046 -3.175 0.338 1.00 . A A . 24 THR O 1 1 13 4943 1 1 24 THR OG1 O 4.876 -2.162 -3.507 1.00 . A A . 24 THR OG1 1 1 13 4944 1 1 25 MET C C 3.760 -2.210 3.485 1.00 . A A . 25 MET C 1 1 13 4945 1 1 25 MET CA C 4.849 -2.004 2.429 1.00 . A A . 25 MET CA 1 1 13 4946 1 1 25 MET CB C 5.449 -0.592 2.503 1.00 . A A . 25 MET CB 1 1 13 4947 1 1 25 MET CE C 3.643 2.973 3.499 1.00 . A A . 25 MET CE 1 1 13 4948 1 1 25 MET CG C 4.384 0.421 2.940 1.00 . A A . 25 MET CG 1 1 13 4949 1 1 25 MET H H 3.387 -1.760 0.894 1.00 . A A . 25 MET H 1 1 13 4950 1 1 25 MET HA H 5.617 -2.733 2.549 1.00 . A A . 25 MET HA 1 1 13 4951 1 1 25 MET HB2 H 6.259 -0.587 3.217 1.00 . A A . 25 MET HB2 1 1 13 4952 1 1 25 MET HB3 H 5.829 -0.314 1.532 1.00 . A A . 25 MET HB3 1 1 13 4953 1 1 25 MET HE1 H 2.799 2.429 3.097 1.00 . A A . 25 MET HE1 1 1 13 4954 1 1 25 MET HE2 H 3.711 3.934 3.016 1.00 . A A . 25 MET HE2 1 1 13 4955 1 1 25 MET HE3 H 3.512 3.116 4.564 1.00 . A A . 25 MET HE3 1 1 13 4956 1 1 25 MET HG2 H 3.628 0.505 2.176 1.00 . A A . 25 MET HG2 1 1 13 4957 1 1 25 MET HG3 H 3.929 0.090 3.861 1.00 . A A . 25 MET HG3 1 1 13 4958 1 1 25 MET N N 4.269 -2.117 1.070 1.00 . A A . 25 MET N 1 1 13 4959 1 1 25 MET O O 3.940 -2.934 4.445 1.00 . A A . 25 MET O 1 1 13 4960 1 1 25 MET SD S 5.162 2.035 3.202 1.00 . A A . 25 MET SD 1 1 13 4961 1 1 26 CYS C C 1.210 -3.229 4.496 1.00 . A A . 26 CYS C 1 1 13 4962 1 1 26 CYS CA C 1.533 -1.745 4.308 1.00 . A A . 26 CYS CA 1 1 13 4963 1 1 26 CYS CB C 0.335 -1.010 3.706 1.00 . A A . 26 CYS CB 1 1 13 4964 1 1 26 CYS H H 2.509 -1.003 2.533 1.00 . A A . 26 CYS H 1 1 13 4965 1 1 26 CYS HA H 1.805 -1.296 5.250 1.00 . A A . 26 CYS HA 1 1 13 4966 1 1 26 CYS HB2 H 0.512 0.055 3.738 1.00 . A A . 26 CYS HB2 1 1 13 4967 1 1 26 CYS HB3 H 0.198 -1.323 2.681 1.00 . A A . 26 CYS HB3 1 1 13 4968 1 1 26 CYS N N 2.631 -1.582 3.314 1.00 . A A . 26 CYS N 1 1 13 4969 1 1 26 CYS O O 1.564 -4.059 3.682 1.00 . A A . 26 CYS O 1 1 13 4970 1 1 26 CYS SG S -1.152 -1.404 4.660 1.00 . A A . 26 CYS SG 1 1 13 4971 1 1 27 TYR C C -1.189 -5.314 5.221 1.00 . A A . 27 TYR C 1 1 13 4972 1 1 27 TYR CA C 0.195 -5.000 5.798 1.00 . A A . 27 TYR CA 1 1 13 4973 1 1 27 TYR CB C 0.190 -5.154 7.318 1.00 . A A . 27 TYR CB 1 1 13 4974 1 1 27 TYR CD1 C 0.455 -7.650 7.100 1.00 . A A . 27 TYR CD1 1 1 13 4975 1 1 27 TYR CD2 C -1.256 -6.783 8.585 1.00 . A A . 27 TYR CD2 1 1 13 4976 1 1 27 TYR CE1 C 0.082 -8.957 7.432 1.00 . A A . 27 TYR CE1 1 1 13 4977 1 1 27 TYR CE2 C -1.629 -8.091 8.917 1.00 . A A . 27 TYR CE2 1 1 13 4978 1 1 27 TYR CG C -0.213 -6.563 7.677 1.00 . A A . 27 TYR CG 1 1 13 4979 1 1 27 TYR CZ C -0.961 -9.178 8.340 1.00 . A A . 27 TYR CZ 1 1 13 4980 1 1 27 TYR H H 0.263 -2.886 6.206 1.00 . A A . 27 TYR H 1 1 13 4981 1 1 27 TYR HA H 0.941 -5.645 5.365 1.00 . A A . 27 TYR HA 1 1 13 4982 1 1 27 TYR HB2 H 1.179 -4.951 7.703 1.00 . A A . 27 TYR HB2 1 1 13 4983 1 1 27 TYR HB3 H -0.517 -4.457 7.748 1.00 . A A . 27 TYR HB3 1 1 13 4984 1 1 27 TYR HD1 H 1.259 -7.479 6.401 1.00 . A A . 27 TYR HD1 1 1 13 4985 1 1 27 TYR HD2 H -1.771 -5.946 9.030 1.00 . A A . 27 TYR HD2 1 1 13 4986 1 1 27 TYR HE1 H 0.597 -9.796 6.987 1.00 . A A . 27 TYR HE1 1 1 13 4987 1 1 27 TYR HE2 H -2.433 -8.262 9.617 1.00 . A A . 27 TYR HE2 1 1 13 4988 1 1 27 TYR HH H -1.449 -10.509 9.619 1.00 . A A . 27 TYR HH 1 1 13 4989 1 1 27 TYR N N 0.539 -3.570 5.561 1.00 . A A . 27 TYR N 1 1 13 4990 1 1 27 TYR O O -2.050 -5.715 5.986 1.00 . A A . 27 TYR O 1 1 13 4991 1 1 27 TYR OXT O -1.361 -5.149 4.025 1.00 . A A . 27 TYR OXT 1 1 13 4992 1 1 27 TYR OH O -1.330 -10.467 8.667 1.00 . A A . 27 TYR OH 1 1 14 4993 1 1 1 GLY C C -5.202 -8.398 2.255 1.00 . A A . 1 GLY C 1 1 14 4994 1 1 1 GLY CA C -5.292 -9.641 1.368 1.00 . A A . 1 GLY CA 1 1 14 4995 1 1 1 GLY H1 H -5.500 -11.235 2.692 1.00 . A A . 1 GLY H1 1 1 14 4996 1 1 1 GLY H2 H -3.960 -10.518 2.708 1.00 . A A . 1 GLY H2 1 1 14 4997 1 1 1 GLY H3 H -4.416 -11.530 1.421 1.00 . A A . 1 GLY H3 1 1 14 4998 1 1 1 GLY HA2 H -4.718 -9.485 0.466 1.00 . A A . 1 GLY HA2 1 1 14 4999 1 1 1 GLY HA3 H -6.325 -9.820 1.110 1.00 . A A . 1 GLY HA3 1 1 14 5000 1 1 1 GLY N N -4.751 -10.820 2.103 1.00 . A A . 1 GLY N 1 1 14 5001 1 1 1 GLY O O -5.915 -8.267 3.230 1.00 . A A . 1 GLY O 1 1 14 5002 1 1 2 GLY C C -4.016 -5.038 1.845 1.00 . A A . 2 GLY C 1 1 14 5003 1 1 2 GLY CA C -4.198 -6.252 2.757 1.00 . A A . 2 GLY CA 1 1 14 5004 1 1 2 GLY H H -3.763 -7.606 1.138 1.00 . A A . 2 GLY H 1 1 14 5005 1 1 2 GLY HA2 H -5.088 -6.124 3.356 1.00 . A A . 2 GLY HA2 1 1 14 5006 1 1 2 GLY HA3 H -3.338 -6.344 3.404 1.00 . A A . 2 GLY HA3 1 1 14 5007 1 1 2 GLY N N -4.331 -7.483 1.928 1.00 . A A . 2 GLY N 1 1 14 5008 1 1 2 GLY O O -4.658 -4.020 2.013 1.00 . A A . 2 GLY O 1 1 14 5009 1 1 3 LEU C C -4.258 -3.363 -0.443 1.00 . A A . 3 LEU C 1 1 14 5010 1 1 3 LEU CA C -2.920 -3.989 -0.047 1.00 . A A . 3 LEU CA 1 1 14 5011 1 1 3 LEU CB C -2.225 -4.592 -1.268 1.00 . A A . 3 LEU CB 1 1 14 5012 1 1 3 LEU CD1 C -0.655 -6.493 -1.667 1.00 . A A . 3 LEU CD1 1 1 14 5013 1 1 3 LEU CD2 C 0.238 -4.235 -1.081 1.00 . A A . 3 LEU CD2 1 1 14 5014 1 1 3 LEU CG C -0.901 -5.228 -0.843 1.00 . A A . 3 LEU CG 1 1 14 5015 1 1 3 LEU H H -2.640 -5.968 0.760 1.00 . A A . 3 LEU H 1 1 14 5016 1 1 3 LEU HA H -2.283 -3.253 0.413 1.00 . A A . 3 LEU HA 1 1 14 5017 1 1 3 LEU HB2 H -2.862 -5.346 -1.710 1.00 . A A . 3 LEU HB2 1 1 14 5018 1 1 3 LEU HB3 H -2.032 -3.815 -1.993 1.00 . A A . 3 LEU HB3 1 1 14 5019 1 1 3 LEU HD11 H -1.258 -6.462 -2.562 1.00 . A A . 3 LEU HD11 1 1 14 5020 1 1 3 LEU HD12 H -0.922 -7.361 -1.082 1.00 . A A . 3 LEU HD12 1 1 14 5021 1 1 3 LEU HD13 H 0.389 -6.549 -1.938 1.00 . A A . 3 LEU HD13 1 1 14 5022 1 1 3 LEU HD21 H 0.337 -3.587 -0.223 1.00 . A A . 3 LEU HD21 1 1 14 5023 1 1 3 LEU HD22 H 0.020 -3.642 -1.957 1.00 . A A . 3 LEU HD22 1 1 14 5024 1 1 3 LEU HD23 H 1.162 -4.775 -1.233 1.00 . A A . 3 LEU HD23 1 1 14 5025 1 1 3 LEU HG H -0.943 -5.484 0.205 1.00 . A A . 3 LEU HG 1 1 14 5026 1 1 3 LEU N N -3.145 -5.138 0.878 1.00 . A A . 3 LEU N 1 1 14 5027 1 1 3 LEU O O -4.385 -2.160 -0.553 1.00 . A A . 3 LEU O 1 1 14 5028 1 1 4 GLY C C -6.954 -2.471 -0.125 1.00 . A A . 4 GLY C 1 1 14 5029 1 1 4 GLY CA C -6.585 -3.635 -1.044 1.00 . A A . 4 GLY CA 1 1 14 5030 1 1 4 GLY H H -5.129 -5.137 -0.564 1.00 . A A . 4 GLY H 1 1 14 5031 1 1 4 GLY HA2 H -6.546 -3.292 -2.066 1.00 . A A . 4 GLY HA2 1 1 14 5032 1 1 4 GLY HA3 H -7.331 -4.413 -0.951 1.00 . A A . 4 GLY HA3 1 1 14 5033 1 1 4 GLY N N -5.255 -4.174 -0.657 1.00 . A A . 4 GLY N 1 1 14 5034 1 1 4 GLY O O -7.597 -1.523 -0.532 1.00 . A A . 4 GLY O 1 1 14 5035 1 1 5 ARG C C -5.692 -0.489 2.223 1.00 . A A . 5 ARG C 1 1 14 5036 1 1 5 ARG CA C -6.886 -1.432 2.064 1.00 . A A . 5 ARG CA 1 1 14 5037 1 1 5 ARG CB C -7.200 -2.129 3.388 1.00 . A A . 5 ARG CB 1 1 14 5038 1 1 5 ARG CD C -8.206 -0.005 4.228 1.00 . A A . 5 ARG CD 1 1 14 5039 1 1 5 ARG CG C -8.447 -1.499 4.010 1.00 . A A . 5 ARG CG 1 1 14 5040 1 1 5 ARG CZ C -9.355 1.033 2.369 1.00 . A A . 5 ARG CZ 1 1 14 5041 1 1 5 ARG H H -6.040 -3.309 1.423 1.00 . A A . 5 ARG H 1 1 14 5042 1 1 5 ARG HA H -7.748 -0.889 1.721 1.00 . A A . 5 ARG HA 1 1 14 5043 1 1 5 ARG HB2 H -7.378 -3.180 3.208 1.00 . A A . 5 ARG HB2 1 1 14 5044 1 1 5 ARG HB3 H -6.367 -2.015 4.063 1.00 . A A . 5 ARG HB3 1 1 14 5045 1 1 5 ARG HD2 H -8.148 0.217 5.285 1.00 . A A . 5 ARG HD2 1 1 14 5046 1 1 5 ARG HD3 H -7.305 0.310 3.725 1.00 . A A . 5 ARG HD3 1 1 14 5047 1 1 5 ARG HE H -10.193 0.823 4.157 1.00 . A A . 5 ARG HE 1 1 14 5048 1 1 5 ARG HG2 H -9.289 -1.637 3.346 1.00 . A A . 5 ARG HG2 1 1 14 5049 1 1 5 ARG HG3 H -8.654 -1.970 4.958 1.00 . A A . 5 ARG HG3 1 1 14 5050 1 1 5 ARG HH11 H -10.013 -0.725 1.673 1.00 . A A . 5 ARG HH11 1 1 14 5051 1 1 5 ARG HH12 H -9.687 0.479 0.474 1.00 . A A . 5 ARG HH12 1 1 14 5052 1 1 5 ARG HH21 H -8.671 2.869 2.776 1.00 . A A . 5 ARG HH21 1 1 14 5053 1 1 5 ARG HH22 H -8.935 2.524 1.102 1.00 . A A . 5 ARG HH22 1 1 14 5054 1 1 5 ARG N N -6.555 -2.535 1.116 1.00 . A A . 5 ARG N 1 1 14 5055 1 1 5 ARG NE N -9.389 0.662 3.619 1.00 . A A . 5 ARG NE 1 1 14 5056 1 1 5 ARG NH1 N -9.713 0.198 1.433 1.00 . A A . 5 ARG NH1 1 1 14 5057 1 1 5 ARG NH2 N -8.954 2.235 2.057 1.00 . A A . 5 ARG NH2 1 1 14 5058 1 1 5 ARG O O -5.839 0.716 2.240 1.00 . A A . 5 ARG O 1 1 14 5059 1 1 6 CYS C C -3.344 0.968 1.462 1.00 . A A . 6 CYS C 1 1 14 5060 1 1 6 CYS CA C -3.310 -0.162 2.492 1.00 . A A . 6 CYS CA 1 1 14 5061 1 1 6 CYS CB C -2.123 -1.088 2.227 1.00 . A A . 6 CYS CB 1 1 14 5062 1 1 6 CYS H H -4.416 -2.001 2.318 1.00 . A A . 6 CYS H 1 1 14 5063 1 1 6 CYS HA H -3.254 0.235 3.492 1.00 . A A . 6 CYS HA 1 1 14 5064 1 1 6 CYS HB2 H -2.273 -1.606 1.291 1.00 . A A . 6 CYS HB2 1 1 14 5065 1 1 6 CYS HB3 H -1.218 -0.503 2.171 1.00 . A A . 6 CYS HB3 1 1 14 5066 1 1 6 CYS N N -4.512 -1.028 2.337 1.00 . A A . 6 CYS N 1 1 14 5067 1 1 6 CYS O O -3.843 2.045 1.722 1.00 . A A . 6 CYS O 1 1 14 5068 1 1 6 CYS SG S -1.982 -2.292 3.570 1.00 . A A . 6 CYS SG 1 1 14 5069 1 1 7 ILE C C -4.137 2.531 -0.780 1.00 . A A . 7 ILE C 1 1 14 5070 1 1 7 ILE CA C -2.812 1.766 -0.764 1.00 . A A . 7 ILE CA 1 1 14 5071 1 1 7 ILE CB C -2.608 0.968 -2.047 1.00 . A A . 7 ILE CB 1 1 14 5072 1 1 7 ILE CD1 C -1.109 -0.974 -1.605 1.00 . A A . 7 ILE CD1 1 1 14 5073 1 1 7 ILE CG1 C -1.172 0.478 -2.083 1.00 . A A . 7 ILE CG1 1 1 14 5074 1 1 7 ILE CG2 C -2.878 1.841 -3.270 1.00 . A A . 7 ILE CG2 1 1 14 5075 1 1 7 ILE H H -2.421 -0.151 0.109 1.00 . A A . 7 ILE H 1 1 14 5076 1 1 7 ILE HA H -1.988 2.445 -0.619 1.00 . A A . 7 ILE HA 1 1 14 5077 1 1 7 ILE HB H -3.267 0.123 -2.051 1.00 . A A . 7 ILE HB 1 1 14 5078 1 1 7 ILE HD11 H -2.099 -1.405 -1.633 1.00 . A A . 7 ILE HD11 1 1 14 5079 1 1 7 ILE HD12 H -0.732 -1.004 -0.594 1.00 . A A . 7 ILE HD12 1 1 14 5080 1 1 7 ILE HD13 H -0.453 -1.538 -2.252 1.00 . A A . 7 ILE HD13 1 1 14 5081 1 1 7 ILE HG12 H -0.797 0.543 -3.086 1.00 . A A . 7 ILE HG12 1 1 14 5082 1 1 7 ILE HG13 H -0.583 1.096 -1.432 1.00 . A A . 7 ILE HG13 1 1 14 5083 1 1 7 ILE HG21 H -3.634 1.376 -3.884 1.00 . A A . 7 ILE HG21 1 1 14 5084 1 1 7 ILE HG22 H -1.967 1.949 -3.840 1.00 . A A . 7 ILE HG22 1 1 14 5085 1 1 7 ILE HG23 H -3.220 2.812 -2.949 1.00 . A A . 7 ILE HG23 1 1 14 5086 1 1 7 ILE N N -2.818 0.725 0.294 1.00 . A A . 7 ILE N 1 1 14 5087 1 1 7 ILE O O -4.157 3.739 -0.669 1.00 . A A . 7 ILE O 1 1 14 5088 1 1 8 TYR C C -6.553 3.647 0.160 1.00 . A A . 8 TYR C 1 1 14 5089 1 1 8 TYR CA C -6.553 2.560 -0.914 1.00 . A A . 8 TYR CA 1 1 14 5090 1 1 8 TYR CB C -7.598 1.488 -0.609 1.00 . A A . 8 TYR CB 1 1 14 5091 1 1 8 TYR CD1 C -9.352 3.250 -1.064 1.00 . A A . 8 TYR CD1 1 1 14 5092 1 1 8 TYR CD2 C -9.747 0.978 -1.815 1.00 . A A . 8 TYR CD2 1 1 14 5093 1 1 8 TYR CE1 C -10.587 3.640 -1.597 1.00 . A A . 8 TYR CE1 1 1 14 5094 1 1 8 TYR CE2 C -10.982 1.368 -2.346 1.00 . A A . 8 TYR CE2 1 1 14 5095 1 1 8 TYR CG C -8.932 1.916 -1.175 1.00 . A A . 8 TYR CG 1 1 14 5096 1 1 8 TYR CZ C -11.402 2.700 -2.236 1.00 . A A . 8 TYR CZ 1 1 14 5097 1 1 8 TYR H H -5.212 0.871 -0.986 1.00 . A A . 8 TYR H 1 1 14 5098 1 1 8 TYR HA H -6.742 2.991 -1.879 1.00 . A A . 8 TYR HA 1 1 14 5099 1 1 8 TYR HB2 H -7.297 0.556 -1.065 1.00 . A A . 8 TYR HB2 1 1 14 5100 1 1 8 TYR HB3 H -7.684 1.354 0.457 1.00 . A A . 8 TYR HB3 1 1 14 5101 1 1 8 TYR HD1 H -8.725 3.976 -0.568 1.00 . A A . 8 TYR HD1 1 1 14 5102 1 1 8 TYR HD2 H -9.421 -0.048 -1.895 1.00 . A A . 8 TYR HD2 1 1 14 5103 1 1 8 TYR HE1 H -10.911 4.667 -1.512 1.00 . A A . 8 TYR HE1 1 1 14 5104 1 1 8 TYR HE2 H -11.611 0.643 -2.840 1.00 . A A . 8 TYR HE2 1 1 14 5105 1 1 8 TYR HH H -12.461 3.790 -3.393 1.00 . A A . 8 TYR HH 1 1 14 5106 1 1 8 TYR N N -5.242 1.847 -0.905 1.00 . A A . 8 TYR N 1 1 14 5107 1 1 8 TYR O O -6.506 4.825 -0.133 1.00 . A A . 8 TYR O 1 1 14 5108 1 1 8 TYR OH O -12.620 3.085 -2.761 1.00 . A A . 8 TYR OH 1 1 14 5109 1 1 9 ASN C C -5.324 5.117 2.422 1.00 . A A . 9 ASN C 1 1 14 5110 1 1 9 ASN CA C -6.590 4.254 2.492 1.00 . A A . 9 ASN CA 1 1 14 5111 1 1 9 ASN CB C -6.602 3.410 3.761 1.00 . A A . 9 ASN CB 1 1 14 5112 1 1 9 ASN CG C -7.447 4.104 4.823 1.00 . A A . 9 ASN CG 1 1 14 5113 1 1 9 ASN H H -6.633 2.315 1.614 1.00 . A A . 9 ASN H 1 1 14 5114 1 1 9 ASN HA H -7.469 4.864 2.447 1.00 . A A . 9 ASN HA 1 1 14 5115 1 1 9 ASN HB2 H -7.024 2.439 3.541 1.00 . A A . 9 ASN HB2 1 1 14 5116 1 1 9 ASN HB3 H -5.596 3.289 4.120 1.00 . A A . 9 ASN HB3 1 1 14 5117 1 1 9 ASN HD21 H -8.919 4.529 3.563 1.00 . A A . 9 ASN HD21 1 1 14 5118 1 1 9 ASN HD22 H -9.155 5.043 5.156 1.00 . A A . 9 ASN HD22 1 1 14 5119 1 1 9 ASN N N -6.597 3.260 1.399 1.00 . A A . 9 ASN N 1 1 14 5120 1 1 9 ASN ND2 N -8.603 4.601 4.487 1.00 . A A . 9 ASN ND2 1 1 14 5121 1 1 9 ASN O O -5.356 6.304 2.679 1.00 . A A . 9 ASN O 1 1 14 5122 1 1 9 ASN OD1 O -7.054 4.194 5.970 1.00 . A A . 9 ASN OD1 1 1 14 5123 1 1 10 CYS C C -2.945 6.180 0.735 1.00 . A A . 10 CYS C 1 1 14 5124 1 1 10 CYS CA C -2.948 5.308 1.996 1.00 . A A . 10 CYS CA 1 1 14 5125 1 1 10 CYS CB C -1.833 4.260 1.944 1.00 . A A . 10 CYS CB 1 1 14 5126 1 1 10 CYS H H -4.203 3.577 1.883 1.00 . A A . 10 CYS H 1 1 14 5127 1 1 10 CYS HA H -2.837 5.914 2.870 1.00 . A A . 10 CYS HA 1 1 14 5128 1 1 10 CYS HB2 H -1.898 3.626 2.816 1.00 . A A . 10 CYS HB2 1 1 14 5129 1 1 10 CYS HB3 H -1.940 3.660 1.055 1.00 . A A . 10 CYS HB3 1 1 14 5130 1 1 10 CYS N N -4.210 4.529 2.080 1.00 . A A . 10 CYS N 1 1 14 5131 1 1 10 CYS O O -3.223 7.361 0.788 1.00 . A A . 10 CYS O 1 1 14 5132 1 1 10 CYS SG S -0.225 5.092 1.924 1.00 . A A . 10 CYS SG 1 1 14 5133 1 1 11 MET C C -3.766 7.393 -1.697 1.00 . A A . 11 MET C 1 1 14 5134 1 1 11 MET CA C -2.613 6.387 -1.667 1.00 . A A . 11 MET CA 1 1 14 5135 1 1 11 MET CB C -2.790 5.347 -2.769 1.00 . A A . 11 MET CB 1 1 14 5136 1 1 11 MET CE C 0.729 6.351 -3.090 1.00 . A A . 11 MET CE 1 1 14 5137 1 1 11 MET CG C -1.436 4.715 -3.089 1.00 . A A . 11 MET CG 1 1 14 5138 1 1 11 MET H H -2.410 4.652 -0.413 1.00 . A A . 11 MET H 1 1 14 5139 1 1 11 MET HA H -1.670 6.887 -1.789 1.00 . A A . 11 MET HA 1 1 14 5140 1 1 11 MET HB2 H -3.478 4.585 -2.439 1.00 . A A . 11 MET HB2 1 1 14 5141 1 1 11 MET HB3 H -3.179 5.824 -3.655 1.00 . A A . 11 MET HB3 1 1 14 5142 1 1 11 MET HE1 H 0.924 5.574 -2.362 1.00 . A A . 11 MET HE1 1 1 14 5143 1 1 11 MET HE2 H 0.391 7.240 -2.585 1.00 . A A . 11 MET HE2 1 1 14 5144 1 1 11 MET HE3 H 1.635 6.571 -3.639 1.00 . A A . 11 MET HE3 1 1 14 5145 1 1 11 MET HG2 H -0.863 4.599 -2.177 1.00 . A A . 11 MET HG2 1 1 14 5146 1 1 11 MET HG3 H -1.589 3.751 -3.540 1.00 . A A . 11 MET HG3 1 1 14 5147 1 1 11 MET N N -2.632 5.604 -0.397 1.00 . A A . 11 MET N 1 1 14 5148 1 1 11 MET O O -3.562 8.590 -1.682 1.00 . A A . 11 MET O 1 1 14 5149 1 1 11 MET SD S -0.543 5.785 -4.242 1.00 . A A . 11 MET SD 1 1 14 5150 1 1 12 ASN C C -5.942 8.991 -0.804 1.00 . A A . 12 ASN C 1 1 14 5151 1 1 12 ASN CA C -6.152 7.822 -1.768 1.00 . A A . 12 ASN CA 1 1 14 5152 1 1 12 ASN CB C -7.329 6.959 -1.317 1.00 . A A . 12 ASN CB 1 1 14 5153 1 1 12 ASN CG C -8.643 7.669 -1.644 1.00 . A A . 12 ASN CG 1 1 14 5154 1 1 12 ASN H H -5.106 5.939 -1.751 1.00 . A A . 12 ASN H 1 1 14 5155 1 1 12 ASN HA H -6.322 8.185 -2.766 1.00 . A A . 12 ASN HA 1 1 14 5156 1 1 12 ASN HB2 H -7.295 6.009 -1.830 1.00 . A A . 12 ASN HB2 1 1 14 5157 1 1 12 ASN HB3 H -7.268 6.794 -0.251 1.00 . A A . 12 ASN HB3 1 1 14 5158 1 1 12 ASN HD21 H -9.021 8.145 0.246 1.00 . A A . 12 ASN HD21 1 1 14 5159 1 1 12 ASN HD22 H -10.185 8.658 -0.877 1.00 . A A . 12 ASN HD22 1 1 14 5160 1 1 12 ASN N N -4.974 6.908 -1.739 1.00 . A A . 12 ASN N 1 1 14 5161 1 1 12 ASN ND2 N -9.341 8.202 -0.678 1.00 . A A . 12 ASN ND2 1 1 14 5162 1 1 12 ASN O O -6.210 10.132 -1.124 1.00 . A A . 12 ASN O 1 1 14 5163 1 1 12 ASN OD1 O -9.041 7.739 -2.790 1.00 . A A . 12 ASN OD1 1 1 14 5164 1 1 13 SER C C -4.895 9.202 2.736 1.00 . A A . 13 SER C 1 1 14 5165 1 1 13 SER CA C -5.225 9.800 1.366 1.00 . A A . 13 SER CA 1 1 14 5166 1 1 13 SER CB C -6.536 10.586 1.424 1.00 . A A . 13 SER CB 1 1 14 5167 1 1 13 SER H H -5.249 7.791 0.608 1.00 . A A . 13 SER H 1 1 14 5168 1 1 13 SER HA H -4.427 10.437 1.032 1.00 . A A . 13 SER HA 1 1 14 5169 1 1 13 SER HB2 H -6.428 11.510 0.881 1.00 . A A . 13 SER HB2 1 1 14 5170 1 1 13 SER HB3 H -7.327 9.997 0.975 1.00 . A A . 13 SER HB3 1 1 14 5171 1 1 13 SER HG H -6.429 11.703 3.013 1.00 . A A . 13 SER HG 1 1 14 5172 1 1 13 SER N N -5.460 8.713 0.375 1.00 . A A . 13 SER N 1 1 14 5173 1 1 13 SER O O -5.772 8.855 3.501 1.00 . A A . 13 SER O 1 1 14 5174 1 1 13 SER OG O -6.852 10.874 2.780 1.00 . A A . 13 SER OG 1 1 14 5175 1 1 14 GLY C C -1.719 8.459 4.460 1.00 . A A . 14 GLY C 1 1 14 5176 1 1 14 GLY CA C -3.244 8.510 4.360 1.00 . A A . 14 GLY CA 1 1 14 5177 1 1 14 GLY H H -2.948 9.363 2.428 1.00 . A A . 14 GLY H 1 1 14 5178 1 1 14 GLY HA2 H -3.638 9.132 5.148 1.00 . A A . 14 GLY HA2 1 1 14 5179 1 1 14 GLY HA3 H -3.641 7.514 4.446 1.00 . A A . 14 GLY HA3 1 1 14 5180 1 1 14 GLY N N -3.635 9.080 3.051 1.00 . A A . 14 GLY N 1 1 14 5181 1 1 14 GLY O O -1.152 8.601 5.525 1.00 . A A . 14 GLY O 1 1 14 5182 1 1 15 GLY C C 1.009 9.563 2.996 1.00 . A A . 15 GLY C 1 1 14 5183 1 1 15 GLY CA C 0.437 8.200 3.386 1.00 . A A . 15 GLY CA 1 1 14 5184 1 1 15 GLY H H -1.530 8.148 2.509 1.00 . A A . 15 GLY H 1 1 14 5185 1 1 15 GLY HA2 H 0.767 7.941 4.384 1.00 . A A . 15 GLY HA2 1 1 14 5186 1 1 15 GLY HA3 H 0.781 7.454 2.685 1.00 . A A . 15 GLY HA3 1 1 14 5187 1 1 15 GLY N N -1.052 8.259 3.358 1.00 . A A . 15 GLY N 1 1 14 5188 1 1 15 GLY O O 1.734 10.183 3.747 1.00 . A A . 15 GLY O 1 1 14 5189 1 1 16 GLY C C 2.720 11.290 1.231 1.00 . A A . 16 GLY C 1 1 14 5190 1 1 16 GLY CA C 1.200 11.357 1.383 1.00 . A A . 16 GLY CA 1 1 14 5191 1 1 16 GLY H H 0.094 9.529 1.239 1.00 . A A . 16 GLY H 1 1 14 5192 1 1 16 GLY HA2 H 0.752 11.617 0.432 1.00 . A A . 16 GLY HA2 1 1 14 5193 1 1 16 GLY HA3 H 0.944 12.098 2.118 1.00 . A A . 16 GLY HA3 1 1 14 5194 1 1 16 GLY N N 0.683 10.037 1.825 1.00 . A A . 16 GLY N 1 1 14 5195 1 1 16 GLY O O 3.418 12.264 1.437 1.00 . A A . 16 GLY O 1 1 14 5196 1 1 17 LEU C C 5.025 9.456 -0.691 1.00 . A A . 17 LEU C 1 1 14 5197 1 1 17 LEU CA C 4.720 10.025 0.692 1.00 . A A . 17 LEU CA 1 1 14 5198 1 1 17 LEU CB C 5.244 9.061 1.776 1.00 . A A . 17 LEU CB 1 1 14 5199 1 1 17 LEU CD1 C 3.485 7.304 2.047 1.00 . A A . 17 LEU CD1 1 1 14 5200 1 1 17 LEU CD2 C 4.706 8.181 4.040 1.00 . A A . 17 LEU CD2 1 1 14 5201 1 1 17 LEU CG C 4.119 8.545 2.678 1.00 . A A . 17 LEU CG 1 1 14 5202 1 1 17 LEU H H 2.661 9.378 0.699 1.00 . A A . 17 LEU H 1 1 14 5203 1 1 17 LEU HA H 5.186 10.985 0.809 1.00 . A A . 17 LEU HA 1 1 14 5204 1 1 17 LEU HB2 H 5.722 8.220 1.297 1.00 . A A . 17 LEU HB2 1 1 14 5205 1 1 17 LEU HB3 H 5.973 9.580 2.383 1.00 . A A . 17 LEU HB3 1 1 14 5206 1 1 17 LEU HD11 H 2.879 6.797 2.782 1.00 . A A . 17 LEU HD11 1 1 14 5207 1 1 17 LEU HD12 H 4.262 6.640 1.702 1.00 . A A . 17 LEU HD12 1 1 14 5208 1 1 17 LEU HD13 H 2.868 7.600 1.213 1.00 . A A . 17 LEU HD13 1 1 14 5209 1 1 17 LEU HD21 H 5.730 8.520 4.090 1.00 . A A . 17 LEU HD21 1 1 14 5210 1 1 17 LEU HD22 H 4.672 7.110 4.172 1.00 . A A . 17 LEU HD22 1 1 14 5211 1 1 17 LEU HD23 H 4.129 8.659 4.818 1.00 . A A . 17 LEU HD23 1 1 14 5212 1 1 17 LEU HG H 3.370 9.308 2.803 1.00 . A A . 17 LEU HG 1 1 14 5213 1 1 17 LEU N N 3.241 10.149 0.866 1.00 . A A . 17 LEU N 1 1 14 5214 1 1 17 LEU O O 5.490 10.150 -1.574 1.00 . A A . 17 LEU O 1 1 14 5215 1 1 18 SER C C 3.990 6.504 -2.522 1.00 . A A . 18 SER C 1 1 14 5216 1 1 18 SER CA C 5.039 7.569 -2.206 1.00 . A A . 18 SER CA 1 1 14 5217 1 1 18 SER CB C 6.415 6.927 -2.066 1.00 . A A . 18 SER CB 1 1 14 5218 1 1 18 SER H H 4.393 7.659 -0.152 1.00 . A A . 18 SER H 1 1 14 5219 1 1 18 SER HA H 5.061 8.318 -2.980 1.00 . A A . 18 SER HA 1 1 14 5220 1 1 18 SER HB2 H 6.677 6.858 -1.026 1.00 . A A . 18 SER HB2 1 1 14 5221 1 1 18 SER HB3 H 6.390 5.933 -2.492 1.00 . A A . 18 SER HB3 1 1 14 5222 1 1 18 SER HG H 7.080 7.846 -3.646 1.00 . A A . 18 SER HG 1 1 14 5223 1 1 18 SER N N 4.766 8.195 -0.882 1.00 . A A . 18 SER N 1 1 14 5224 1 1 18 SER O O 2.980 6.386 -1.858 1.00 . A A . 18 SER O 1 1 14 5225 1 1 18 SER OG O 7.379 7.724 -2.742 1.00 . A A . 18 SER OG 1 1 14 5226 1 1 19 PHE C C 3.914 3.293 -3.654 1.00 . A A . 19 PHE C 1 1 14 5227 1 1 19 PHE CA C 3.281 4.648 -3.919 1.00 . A A . 19 PHE CA 1 1 14 5228 1 1 19 PHE CB C 3.050 4.857 -5.417 1.00 . A A . 19 PHE CB 1 1 14 5229 1 1 19 PHE CD1 C 0.867 4.107 -6.429 1.00 . A A . 19 PHE CD1 1 1 14 5230 1 1 19 PHE CD2 C 2.586 2.446 -6.020 1.00 . A A . 19 PHE CD2 1 1 14 5231 1 1 19 PHE CE1 C 0.027 3.114 -6.941 1.00 . A A . 19 PHE CE1 1 1 14 5232 1 1 19 PHE CE2 C 1.743 1.452 -6.534 1.00 . A A . 19 PHE CE2 1 1 14 5233 1 1 19 PHE CG C 2.146 3.776 -5.967 1.00 . A A . 19 PHE CG 1 1 14 5234 1 1 19 PHE CZ C 0.465 1.786 -6.993 1.00 . A A . 19 PHE CZ 1 1 14 5235 1 1 19 PHE H H 5.068 5.842 -4.042 1.00 . A A . 19 PHE H 1 1 14 5236 1 1 19 PHE HA H 2.357 4.741 -3.381 1.00 . A A . 19 PHE HA 1 1 14 5237 1 1 19 PHE HB2 H 2.593 5.820 -5.573 1.00 . A A . 19 PHE HB2 1 1 14 5238 1 1 19 PHE HB3 H 3.998 4.826 -5.928 1.00 . A A . 19 PHE HB3 1 1 14 5239 1 1 19 PHE HD1 H 0.530 5.132 -6.391 1.00 . A A . 19 PHE HD1 1 1 14 5240 1 1 19 PHE HD2 H 3.571 2.187 -5.669 1.00 . A A . 19 PHE HD2 1 1 14 5241 1 1 19 PHE HE1 H -0.960 3.371 -7.298 1.00 . A A . 19 PHE HE1 1 1 14 5242 1 1 19 PHE HE2 H 2.081 0.428 -6.575 1.00 . A A . 19 PHE HE2 1 1 14 5243 1 1 19 PHE HZ H -0.184 1.018 -7.389 1.00 . A A . 19 PHE HZ 1 1 14 5244 1 1 19 PHE N N 4.238 5.723 -3.534 1.00 . A A . 19 PHE N 1 1 14 5245 1 1 19 PHE O O 3.409 2.494 -2.892 1.00 . A A . 19 PHE O 1 1 14 5246 1 1 20 ILE C C 5.748 1.488 -2.524 1.00 . A A . 20 ILE C 1 1 14 5247 1 1 20 ILE CA C 5.699 1.723 -4.027 1.00 . A A . 20 ILE CA 1 1 14 5248 1 1 20 ILE CB C 7.124 1.828 -4.587 1.00 . A A . 20 ILE CB 1 1 14 5249 1 1 20 ILE CD1 C 7.625 4.082 -5.514 1.00 . A A . 20 ILE CD1 1 1 14 5250 1 1 20 ILE CG1 C 7.144 2.673 -5.862 1.00 . A A . 20 ILE CG1 1 1 14 5251 1 1 20 ILE CG2 C 7.643 0.426 -4.910 1.00 . A A . 20 ILE CG2 1 1 14 5252 1 1 20 ILE H H 5.415 3.700 -4.867 1.00 . A A . 20 ILE H 1 1 14 5253 1 1 20 ILE HA H 5.157 0.930 -4.513 1.00 . A A . 20 ILE HA 1 1 14 5254 1 1 20 ILE HB H 7.765 2.282 -3.844 1.00 . A A . 20 ILE HB 1 1 14 5255 1 1 20 ILE HD11 H 8.660 4.190 -5.801 1.00 . A A . 20 ILE HD11 1 1 14 5256 1 1 20 ILE HD12 H 7.530 4.241 -4.449 1.00 . A A . 20 ILE HD12 1 1 14 5257 1 1 20 ILE HD13 H 7.025 4.808 -6.041 1.00 . A A . 20 ILE HD13 1 1 14 5258 1 1 20 ILE HG12 H 7.816 2.227 -6.581 1.00 . A A . 20 ILE HG12 1 1 14 5259 1 1 20 ILE HG13 H 6.150 2.725 -6.279 1.00 . A A . 20 ILE HG13 1 1 14 5260 1 1 20 ILE HG21 H 8.231 0.061 -4.081 1.00 . A A . 20 ILE HG21 1 1 14 5261 1 1 20 ILE HG22 H 8.257 0.465 -5.797 1.00 . A A . 20 ILE HG22 1 1 14 5262 1 1 20 ILE HG23 H 6.807 -0.237 -5.078 1.00 . A A . 20 ILE HG23 1 1 14 5263 1 1 20 ILE N N 5.028 3.034 -4.267 1.00 . A A . 20 ILE N 1 1 14 5264 1 1 20 ILE O O 5.639 0.376 -2.050 1.00 . A A . 20 ILE O 1 1 14 5265 1 1 21 GLN C C 4.673 1.661 0.157 1.00 . A A . 21 GLN C 1 1 14 5266 1 1 21 GLN CA C 5.934 2.392 -0.295 1.00 . A A . 21 GLN CA 1 1 14 5267 1 1 21 GLN CB C 5.954 3.821 0.254 1.00 . A A . 21 GLN CB 1 1 14 5268 1 1 21 GLN CD C 8.134 4.055 1.454 1.00 . A A . 21 GLN CD 1 1 14 5269 1 1 21 GLN CG C 7.373 4.385 0.169 1.00 . A A . 21 GLN CG 1 1 14 5270 1 1 21 GLN H H 5.969 3.432 -2.177 1.00 . A A . 21 GLN H 1 1 14 5271 1 1 21 GLN HA H 6.821 1.861 0.008 1.00 . A A . 21 GLN HA 1 1 14 5272 1 1 21 GLN HB2 H 5.285 4.439 -0.328 1.00 . A A . 21 GLN HB2 1 1 14 5273 1 1 21 GLN HB3 H 5.632 3.813 1.285 1.00 . A A . 21 GLN HB3 1 1 14 5274 1 1 21 GLN HE21 H 9.637 3.172 0.502 1.00 . A A . 21 GLN HE21 1 1 14 5275 1 1 21 GLN HE22 H 9.774 3.214 2.193 1.00 . A A . 21 GLN HE22 1 1 14 5276 1 1 21 GLN HG2 H 7.885 3.946 -0.675 1.00 . A A . 21 GLN HG2 1 1 14 5277 1 1 21 GLN HG3 H 7.328 5.457 0.046 1.00 . A A . 21 GLN HG3 1 1 14 5278 1 1 21 GLN N N 5.896 2.543 -1.771 1.00 . A A . 21 GLN N 1 1 14 5279 1 1 21 GLN NE2 N 9.276 3.427 1.376 1.00 . A A . 21 GLN NE2 1 1 14 5280 1 1 21 GLN O O 4.689 0.476 0.422 1.00 . A A . 21 GLN O 1 1 14 5281 1 1 21 GLN OE1 O 7.687 4.370 2.539 1.00 . A A . 21 GLN OE1 1 1 14 5282 1 1 22 CYS C C 1.936 0.590 -0.335 1.00 . A A . 22 CYS C 1 1 14 5283 1 1 22 CYS CA C 2.300 1.710 0.642 1.00 . A A . 22 CYS CA 1 1 14 5284 1 1 22 CYS CB C 1.253 2.822 0.587 1.00 . A A . 22 CYS CB 1 1 14 5285 1 1 22 CYS H H 3.583 3.309 -0.005 1.00 . A A . 22 CYS H 1 1 14 5286 1 1 22 CYS HA H 2.380 1.325 1.646 1.00 . A A . 22 CYS HA 1 1 14 5287 1 1 22 CYS HB2 H 1.553 3.563 -0.141 1.00 . A A . 22 CYS HB2 1 1 14 5288 1 1 22 CYS HB3 H 0.298 2.402 0.302 1.00 . A A . 22 CYS HB3 1 1 14 5289 1 1 22 CYS N N 3.573 2.358 0.226 1.00 . A A . 22 CYS N 1 1 14 5290 1 1 22 CYS O O 1.338 -0.398 0.039 1.00 . A A . 22 CYS O 1 1 14 5291 1 1 22 CYS SG S 1.108 3.601 2.213 1.00 . A A . 22 CYS SG 1 1 14 5292 1 1 23 LYS C C 2.359 -1.704 -2.016 1.00 . A A . 23 LYS C 1 1 14 5293 1 1 23 LYS CA C 1.950 -0.337 -2.570 1.00 . A A . 23 LYS CA 1 1 14 5294 1 1 23 LYS CB C 2.765 -0.006 -3.817 1.00 . A A . 23 LYS CB 1 1 14 5295 1 1 23 LYS CD C 1.198 -1.529 -5.025 1.00 . A A . 23 LYS CD 1 1 14 5296 1 1 23 LYS CE C 1.100 -2.724 -5.977 1.00 . A A . 23 LYS CE 1 1 14 5297 1 1 23 LYS CG C 2.668 -1.168 -4.808 1.00 . A A . 23 LYS CG 1 1 14 5298 1 1 23 LYS H H 2.773 1.537 -1.883 1.00 . A A . 23 LYS H 1 1 14 5299 1 1 23 LYS HA H 0.895 -0.318 -2.802 1.00 . A A . 23 LYS HA 1 1 14 5300 1 1 23 LYS HB2 H 2.376 0.893 -4.275 1.00 . A A . 23 LYS HB2 1 1 14 5301 1 1 23 LYS HB3 H 3.797 0.145 -3.543 1.00 . A A . 23 LYS HB3 1 1 14 5302 1 1 23 LYS HD2 H 0.747 -1.787 -4.077 1.00 . A A . 23 LYS HD2 1 1 14 5303 1 1 23 LYS HD3 H 0.679 -0.686 -5.455 1.00 . A A . 23 LYS HD3 1 1 14 5304 1 1 23 LYS HE2 H 1.484 -3.615 -5.500 1.00 . A A . 23 LYS HE2 1 1 14 5305 1 1 23 LYS HE3 H 0.079 -2.872 -6.290 1.00 . A A . 23 LYS HE3 1 1 14 5306 1 1 23 LYS HG2 H 3.113 -0.878 -5.749 1.00 . A A . 23 LYS HG2 1 1 14 5307 1 1 23 LYS HG3 H 3.193 -2.024 -4.411 1.00 . A A . 23 LYS HG3 1 1 14 5308 1 1 23 LYS HZ1 H 1.873 -1.329 -7.315 1.00 . A A . 23 LYS HZ1 1 1 14 5309 1 1 23 LYS HZ2 H 1.612 -2.866 -7.990 1.00 . A A . 23 LYS HZ2 1 1 14 5310 1 1 23 LYS HZ3 H 2.933 -2.602 -6.955 1.00 . A A . 23 LYS HZ3 1 1 14 5311 1 1 23 LYS N N 2.288 0.731 -1.588 1.00 . A A . 23 LYS N 1 1 14 5312 1 1 23 LYS NZ N 1.944 -2.353 -7.147 1.00 . A A . 23 LYS NZ 1 1 14 5313 1 1 23 LYS O O 1.845 -2.727 -2.419 1.00 . A A . 23 LYS O 1 1 14 5314 1 1 24 THR C C 4.050 -2.871 0.973 1.00 . A A . 24 THR C 1 1 14 5315 1 1 24 THR CA C 3.731 -3.029 -0.517 1.00 . A A . 24 THR CA 1 1 14 5316 1 1 24 THR CB C 4.990 -3.404 -1.304 1.00 . A A . 24 THR CB 1 1 14 5317 1 1 24 THR CG2 C 4.896 -4.862 -1.756 1.00 . A A . 24 THR CG2 1 1 14 5318 1 1 24 THR H H 3.690 -0.890 -0.786 1.00 . A A . 24 THR H 1 1 14 5319 1 1 24 THR HA H 2.973 -3.780 -0.659 1.00 . A A . 24 THR HA 1 1 14 5320 1 1 24 THR HB H 5.858 -3.283 -0.674 1.00 . A A . 24 THR HB 1 1 14 5321 1 1 24 THR HG1 H 5.406 -1.699 -2.144 1.00 . A A . 24 THR HG1 1 1 14 5322 1 1 24 THR HG21 H 3.878 -5.207 -1.650 1.00 . A A . 24 THR HG21 1 1 14 5323 1 1 24 THR HG22 H 5.547 -5.471 -1.147 1.00 . A A . 24 THR HG22 1 1 14 5324 1 1 24 THR HG23 H 5.196 -4.938 -2.791 1.00 . A A . 24 THR HG23 1 1 14 5325 1 1 24 THR N N 3.285 -1.727 -1.095 1.00 . A A . 24 THR N 1 1 14 5326 1 1 24 THR O O 3.807 -3.758 1.766 1.00 . A A . 24 THR O 1 1 14 5327 1 1 24 THR OG1 O 5.109 -2.561 -2.442 1.00 . A A . 24 THR OG1 1 1 14 5328 1 1 25 MET C C 3.786 -2.016 3.685 1.00 . A A . 25 MET C 1 1 14 5329 1 1 25 MET CA C 4.932 -1.537 2.794 1.00 . A A . 25 MET CA 1 1 14 5330 1 1 25 MET CB C 5.128 -0.027 2.945 1.00 . A A . 25 MET CB 1 1 14 5331 1 1 25 MET CE C 8.106 1.752 3.956 1.00 . A A . 25 MET CE 1 1 14 5332 1 1 25 MET CG C 6.449 0.386 2.290 1.00 . A A . 25 MET CG 1 1 14 5333 1 1 25 MET H H 4.784 -1.049 0.705 1.00 . A A . 25 MET H 1 1 14 5334 1 1 25 MET HA H 5.843 -2.050 3.043 1.00 . A A . 25 MET HA 1 1 14 5335 1 1 25 MET HB2 H 4.310 0.493 2.469 1.00 . A A . 25 MET HB2 1 1 14 5336 1 1 25 MET HB3 H 5.155 0.230 3.993 1.00 . A A . 25 MET HB3 1 1 14 5337 1 1 25 MET HE1 H 8.365 2.356 3.097 1.00 . A A . 25 MET HE1 1 1 14 5338 1 1 25 MET HE2 H 8.917 1.777 4.667 1.00 . A A . 25 MET HE2 1 1 14 5339 1 1 25 MET HE3 H 7.212 2.141 4.421 1.00 . A A . 25 MET HE3 1 1 14 5340 1 1 25 MET HG2 H 6.590 -0.177 1.379 1.00 . A A . 25 MET HG2 1 1 14 5341 1 1 25 MET HG3 H 6.424 1.441 2.061 1.00 . A A . 25 MET HG3 1 1 14 5342 1 1 25 MET N N 4.595 -1.751 1.358 1.00 . A A . 25 MET N 1 1 14 5343 1 1 25 MET O O 3.840 -3.084 4.262 1.00 . A A . 25 MET O 1 1 14 5344 1 1 25 MET SD S 7.816 0.046 3.427 1.00 . A A . 25 MET SD 1 1 14 5345 1 1 26 CYS C C 1.204 -3.090 4.336 1.00 . A A . 26 CYS C 1 1 14 5346 1 1 26 CYS CA C 1.603 -1.649 4.658 1.00 . A A . 26 CYS CA 1 1 14 5347 1 1 26 CYS CB C 0.470 -0.684 4.310 1.00 . A A . 26 CYS CB 1 1 14 5348 1 1 26 CYS H H 2.729 -0.376 3.327 1.00 . A A . 26 CYS H 1 1 14 5349 1 1 26 CYS HA H 1.859 -1.556 5.702 1.00 . A A . 26 CYS HA 1 1 14 5350 1 1 26 CYS HB2 H 0.704 0.299 4.692 1.00 . A A . 26 CYS HB2 1 1 14 5351 1 1 26 CYS HB3 H 0.355 -0.635 3.237 1.00 . A A . 26 CYS HB3 1 1 14 5352 1 1 26 CYS N N 2.751 -1.234 3.802 1.00 . A A . 26 CYS N 1 1 14 5353 1 1 26 CYS O O 0.658 -3.376 3.289 1.00 . A A . 26 CYS O 1 1 14 5354 1 1 26 CYS SG S -1.071 -1.270 5.055 1.00 . A A . 26 CYS SG 1 1 14 5355 1 1 27 TYR C C -0.111 -5.818 5.787 1.00 . A A . 27 TYR C 1 1 14 5356 1 1 27 TYR CA C 1.129 -5.426 4.978 1.00 . A A . 27 TYR CA 1 1 14 5357 1 1 27 TYR CB C 2.352 -6.212 5.451 1.00 . A A . 27 TYR CB 1 1 14 5358 1 1 27 TYR CD1 C 2.402 -7.794 3.488 1.00 . A A . 27 TYR CD1 1 1 14 5359 1 1 27 TYR CD2 C 2.209 -8.713 5.723 1.00 . A A . 27 TYR CD2 1 1 14 5360 1 1 27 TYR CE1 C 2.376 -9.088 2.953 1.00 . A A . 27 TYR CE1 1 1 14 5361 1 1 27 TYR CE2 C 2.181 -10.007 5.188 1.00 . A A . 27 TYR CE2 1 1 14 5362 1 1 27 TYR CG C 2.319 -7.606 4.873 1.00 . A A . 27 TYR CG 1 1 14 5363 1 1 27 TYR CZ C 2.265 -10.194 3.804 1.00 . A A . 27 TYR CZ 1 1 14 5364 1 1 27 TYR H H 1.927 -3.746 6.063 1.00 . A A . 27 TYR H 1 1 14 5365 1 1 27 TYR HA H 0.965 -5.598 3.926 1.00 . A A . 27 TYR HA 1 1 14 5366 1 1 27 TYR HB2 H 3.250 -5.707 5.122 1.00 . A A . 27 TYR HB2 1 1 14 5367 1 1 27 TYR HB3 H 2.345 -6.270 6.531 1.00 . A A . 27 TYR HB3 1 1 14 5368 1 1 27 TYR HD1 H 2.488 -6.940 2.831 1.00 . A A . 27 TYR HD1 1 1 14 5369 1 1 27 TYR HD2 H 2.144 -8.570 6.792 1.00 . A A . 27 TYR HD2 1 1 14 5370 1 1 27 TYR HE1 H 2.441 -9.232 1.885 1.00 . A A . 27 TYR HE1 1 1 14 5371 1 1 27 TYR HE2 H 2.096 -10.860 5.845 1.00 . A A . 27 TYR HE2 1 1 14 5372 1 1 27 TYR HH H 2.478 -12.083 3.979 1.00 . A A . 27 TYR HH 1 1 14 5373 1 1 27 TYR N N 1.481 -4.000 5.228 1.00 . A A . 27 TYR N 1 1 14 5374 1 1 27 TYR O O -1.159 -5.239 5.546 1.00 . A A . 27 TYR O 1 1 14 5375 1 1 27 TYR OXT O 0.008 -6.688 6.634 1.00 . A A . 27 TYR OXT 1 1 14 5376 1 1 27 TYR OH O 2.240 -11.470 3.279 1.00 . A A . 27 TYR OH 1 1 15 5377 1 1 1 GLY C C -5.430 -6.574 4.251 1.00 . A A . 1 GLY C 1 1 15 5378 1 1 1 GLY CA C -6.318 -7.730 3.787 1.00 . A A . 1 GLY CA 1 1 15 5379 1 1 1 GLY H1 H -4.731 -8.556 2.721 1.00 . A A . 1 GLY H1 1 1 15 5380 1 1 1 GLY H2 H -6.060 -9.599 2.905 1.00 . A A . 1 GLY H2 1 1 15 5381 1 1 1 GLY H3 H -5.021 -9.302 4.216 1.00 . A A . 1 GLY H3 1 1 15 5382 1 1 1 GLY HA2 H -6.919 -7.410 2.948 1.00 . A A . 1 GLY HA2 1 1 15 5383 1 1 1 GLY HA3 H -6.964 -8.030 4.599 1.00 . A A . 1 GLY HA3 1 1 15 5384 1 1 1 GLY N N -5.469 -8.883 3.376 1.00 . A A . 1 GLY N 1 1 15 5385 1 1 1 GLY O O -5.667 -5.970 5.278 1.00 . A A . 1 GLY O 1 1 15 5386 1 1 2 GLY C C -3.204 -4.269 2.683 1.00 . A A . 2 GLY C 1 1 15 5387 1 1 2 GLY CA C -3.505 -5.143 3.902 1.00 . A A . 2 GLY CA 1 1 15 5388 1 1 2 GLY H H -4.232 -6.758 2.678 1.00 . A A . 2 GLY H 1 1 15 5389 1 1 2 GLY HA2 H -3.987 -4.547 4.665 1.00 . A A . 2 GLY HA2 1 1 15 5390 1 1 2 GLY HA3 H -2.582 -5.545 4.290 1.00 . A A . 2 GLY HA3 1 1 15 5391 1 1 2 GLY N N -4.407 -6.260 3.503 1.00 . A A . 2 GLY N 1 1 15 5392 1 1 2 GLY O O -3.463 -3.082 2.680 1.00 . A A . 2 GLY O 1 1 15 5393 1 1 3 LEU C C -3.612 -3.381 -0.104 1.00 . A A . 3 LEU C 1 1 15 5394 1 1 3 LEU CA C -2.345 -4.050 0.428 1.00 . A A . 3 LEU CA 1 1 15 5395 1 1 3 LEU CB C -1.809 -5.066 -0.581 1.00 . A A . 3 LEU CB 1 1 15 5396 1 1 3 LEU CD1 C -0.373 -7.104 -0.397 1.00 . A A . 3 LEU CD1 1 1 15 5397 1 1 3 LEU CD2 C 0.669 -4.875 -0.815 1.00 . A A . 3 LEU CD2 1 1 15 5398 1 1 3 LEU CG C -0.464 -5.608 -0.095 1.00 . A A . 3 LEU CG 1 1 15 5399 1 1 3 LEU H H -2.460 -5.806 1.671 1.00 . A A . 3 LEU H 1 1 15 5400 1 1 3 LEU HA H -1.592 -3.313 0.643 1.00 . A A . 3 LEU HA 1 1 15 5401 1 1 3 LEU HB2 H -2.512 -5.882 -0.677 1.00 . A A . 3 LEU HB2 1 1 15 5402 1 1 3 LEU HB3 H -1.678 -4.589 -1.540 1.00 . A A . 3 LEU HB3 1 1 15 5403 1 1 3 LEU HD11 H 0.250 -7.583 0.343 1.00 . A A . 3 LEU HD11 1 1 15 5404 1 1 3 LEU HD12 H 0.055 -7.248 -1.377 1.00 . A A . 3 LEU HD12 1 1 15 5405 1 1 3 LEU HD13 H -1.362 -7.537 -0.368 1.00 . A A . 3 LEU HD13 1 1 15 5406 1 1 3 LEU HD21 H 1.553 -5.495 -0.822 1.00 . A A . 3 LEU HD21 1 1 15 5407 1 1 3 LEU HD22 H 0.884 -3.949 -0.302 1.00 . A A . 3 LEU HD22 1 1 15 5408 1 1 3 LEU HD23 H 0.371 -4.661 -1.832 1.00 . A A . 3 LEU HD23 1 1 15 5409 1 1 3 LEU HG H -0.377 -5.449 0.971 1.00 . A A . 3 LEU HG 1 1 15 5410 1 1 3 LEU N N -2.661 -4.847 1.648 1.00 . A A . 3 LEU N 1 1 15 5411 1 1 3 LEU O O -3.660 -2.184 -0.307 1.00 . A A . 3 LEU O 1 1 15 5412 1 1 4 GLY C C -6.223 -2.274 -0.111 1.00 . A A . 4 GLY C 1 1 15 5413 1 1 4 GLY CA C -5.906 -3.573 -0.850 1.00 . A A . 4 GLY CA 1 1 15 5414 1 1 4 GLY H H -4.571 -5.108 -0.160 1.00 . A A . 4 GLY H 1 1 15 5415 1 1 4 GLY HA2 H -5.799 -3.371 -1.903 1.00 . A A . 4 GLY HA2 1 1 15 5416 1 1 4 GLY HA3 H -6.712 -4.277 -0.696 1.00 . A A . 4 GLY HA3 1 1 15 5417 1 1 4 GLY N N -4.637 -4.149 -0.331 1.00 . A A . 4 GLY N 1 1 15 5418 1 1 4 GLY O O -6.412 -1.234 -0.712 1.00 . A A . 4 GLY O 1 1 15 5419 1 1 5 ARG C C -5.376 -0.175 2.017 1.00 . A A . 5 ARG C 1 1 15 5420 1 1 5 ARG CA C -6.597 -1.093 1.971 1.00 . A A . 5 ARG CA 1 1 15 5421 1 1 5 ARG CB C -6.954 -1.591 3.371 1.00 . A A . 5 ARG CB 1 1 15 5422 1 1 5 ARG CD C -9.339 -1.238 2.700 1.00 . A A . 5 ARG CD 1 1 15 5423 1 1 5 ARG CG C -8.353 -2.212 3.351 1.00 . A A . 5 ARG CG 1 1 15 5424 1 1 5 ARG CZ C -9.562 -0.839 0.319 1.00 . A A . 5 ARG CZ 1 1 15 5425 1 1 5 ARG H H -6.133 -3.175 1.649 1.00 . A A . 5 ARG H 1 1 15 5426 1 1 5 ARG HA H -7.433 -0.574 1.539 1.00 . A A . 5 ARG HA 1 1 15 5427 1 1 5 ARG HB2 H -6.234 -2.333 3.684 1.00 . A A . 5 ARG HB2 1 1 15 5428 1 1 5 ARG HB3 H -6.940 -0.762 4.062 1.00 . A A . 5 ARG HB3 1 1 15 5429 1 1 5 ARG HD2 H -10.295 -1.281 3.203 1.00 . A A . 5 ARG HD2 1 1 15 5430 1 1 5 ARG HD3 H -8.945 -0.234 2.722 1.00 . A A . 5 ARG HD3 1 1 15 5431 1 1 5 ARG HE H -9.481 -2.666 1.093 1.00 . A A . 5 ARG HE 1 1 15 5432 1 1 5 ARG HG2 H -8.329 -3.133 2.785 1.00 . A A . 5 ARG HG2 1 1 15 5433 1 1 5 ARG HG3 H -8.670 -2.419 4.362 1.00 . A A . 5 ARG HG3 1 1 15 5434 1 1 5 ARG HH11 H -8.377 -1.869 -0.922 1.00 . A A . 5 ARG HH11 1 1 15 5435 1 1 5 ARG HH12 H -9.004 -0.381 -1.548 1.00 . A A . 5 ARG HH12 1 1 15 5436 1 1 5 ARG HH21 H -10.770 0.397 1.331 1.00 . A A . 5 ARG HH21 1 1 15 5437 1 1 5 ARG HH22 H -10.361 0.897 -0.276 1.00 . A A . 5 ARG HH22 1 1 15 5438 1 1 5 ARG N N -6.287 -2.325 1.188 1.00 . A A . 5 ARG N 1 1 15 5439 1 1 5 ARG NE N -9.467 -1.706 1.291 1.00 . A A . 5 ARG NE 1 1 15 5440 1 1 5 ARG NH1 N -8.932 -1.046 -0.805 1.00 . A A . 5 ARG NH1 1 1 15 5441 1 1 5 ARG NH2 N -10.287 0.236 0.470 1.00 . A A . 5 ARG NH2 1 1 15 5442 1 1 5 ARG O O -5.494 1.033 1.950 1.00 . A A . 5 ARG O 1 1 15 5443 1 1 6 CYS C C -3.087 1.191 1.070 1.00 . A A . 6 CYS C 1 1 15 5444 1 1 6 CYS CA C -2.984 0.120 2.155 1.00 . A A . 6 CYS CA 1 1 15 5445 1 1 6 CYS CB C -1.824 -0.831 1.861 1.00 . A A . 6 CYS CB 1 1 15 5446 1 1 6 CYS H H -4.129 -1.707 2.167 1.00 . A A . 6 CYS H 1 1 15 5447 1 1 6 CYS HA H -2.861 0.571 3.127 1.00 . A A . 6 CYS HA 1 1 15 5448 1 1 6 CYS HB2 H -2.213 -1.762 1.475 1.00 . A A . 6 CYS HB2 1 1 15 5449 1 1 6 CYS HB3 H -1.169 -0.384 1.129 1.00 . A A . 6 CYS HB3 1 1 15 5450 1 1 6 CYS N N -4.205 -0.733 2.121 1.00 . A A . 6 CYS N 1 1 15 5451 1 1 6 CYS O O -3.524 2.298 1.313 1.00 . A A . 6 CYS O 1 1 15 5452 1 1 6 CYS SG S -0.901 -1.147 3.384 1.00 . A A . 6 CYS SG 1 1 15 5453 1 1 7 ILE C C -4.092 2.625 -1.169 1.00 . A A . 7 ILE C 1 1 15 5454 1 1 7 ILE CA C -2.781 1.840 -1.243 1.00 . A A . 7 ILE CA 1 1 15 5455 1 1 7 ILE CB C -2.727 0.972 -2.494 1.00 . A A . 7 ILE CB 1 1 15 5456 1 1 7 ILE CD1 C -1.415 -1.119 -2.153 1.00 . A A . 7 ILE CD1 1 1 15 5457 1 1 7 ILE CG1 C -1.348 0.345 -2.591 1.00 . A A . 7 ILE CG1 1 1 15 5458 1 1 7 ILE CG2 C -2.997 1.816 -3.738 1.00 . A A . 7 ILE CG2 1 1 15 5459 1 1 7 ILE H H -2.359 -0.043 -0.302 1.00 . A A . 7 ILE H 1 1 15 5460 1 1 7 ILE HA H -1.937 2.511 -1.219 1.00 . A A . 7 ILE HA 1 1 15 5461 1 1 7 ILE HB H -3.462 0.194 -2.418 1.00 . A A . 7 ILE HB 1 1 15 5462 1 1 7 ILE HD11 H -2.438 -1.463 -2.208 1.00 . A A . 7 ILE HD11 1 1 15 5463 1 1 7 ILE HD12 H -1.059 -1.209 -1.138 1.00 . A A . 7 ILE HD12 1 1 15 5464 1 1 7 ILE HD13 H -0.798 -1.719 -2.806 1.00 . A A . 7 ILE HD13 1 1 15 5465 1 1 7 ILE HG12 H -0.997 0.404 -3.607 1.00 . A A . 7 ILE HG12 1 1 15 5466 1 1 7 ILE HG13 H -0.679 0.882 -1.944 1.00 . A A . 7 ILE HG13 1 1 15 5467 1 1 7 ILE HG21 H -3.791 1.364 -4.314 1.00 . A A . 7 ILE HG21 1 1 15 5468 1 1 7 ILE HG22 H -2.102 1.867 -4.339 1.00 . A A . 7 ILE HG22 1 1 15 5469 1 1 7 ILE HG23 H -3.290 2.811 -3.442 1.00 . A A . 7 ILE HG23 1 1 15 5470 1 1 7 ILE N N -2.699 0.860 -0.128 1.00 . A A . 7 ILE N 1 1 15 5471 1 1 7 ILE O O -4.104 3.833 -1.268 1.00 . A A . 7 ILE O 1 1 15 5472 1 1 8 TYR C C -6.323 3.916 -0.001 1.00 . A A . 8 TYR C 1 1 15 5473 1 1 8 TYR CA C -6.489 2.692 -0.902 1.00 . A A . 8 TYR CA 1 1 15 5474 1 1 8 TYR CB C -7.478 1.698 -0.290 1.00 . A A . 8 TYR CB 1 1 15 5475 1 1 8 TYR CD1 C -9.452 3.229 -0.631 1.00 . A A . 8 TYR CD1 1 1 15 5476 1 1 8 TYR CD2 C -9.036 2.339 1.586 1.00 . A A . 8 TYR CD2 1 1 15 5477 1 1 8 TYR CE1 C -10.569 3.919 -0.145 1.00 . A A . 8 TYR CE1 1 1 15 5478 1 1 8 TYR CE2 C -10.154 3.027 2.072 1.00 . A A . 8 TYR CE2 1 1 15 5479 1 1 8 TYR CG C -8.685 2.441 0.235 1.00 . A A . 8 TYR CG 1 1 15 5480 1 1 8 TYR CZ C -10.920 3.818 1.207 1.00 . A A . 8 TYR CZ 1 1 15 5481 1 1 8 TYR H H -5.175 0.980 -0.903 1.00 . A A . 8 TYR H 1 1 15 5482 1 1 8 TYR HA H -6.822 2.988 -1.882 1.00 . A A . 8 TYR HA 1 1 15 5483 1 1 8 TYR HB2 H -7.791 0.992 -1.045 1.00 . A A . 8 TYR HB2 1 1 15 5484 1 1 8 TYR HB3 H -7.003 1.169 0.521 1.00 . A A . 8 TYR HB3 1 1 15 5485 1 1 8 TYR HD1 H -9.181 3.308 -1.674 1.00 . A A . 8 TYR HD1 1 1 15 5486 1 1 8 TYR HD2 H -8.445 1.730 2.253 1.00 . A A . 8 TYR HD2 1 1 15 5487 1 1 8 TYR HE1 H -11.160 4.528 -0.813 1.00 . A A . 8 TYR HE1 1 1 15 5488 1 1 8 TYR HE2 H -10.425 2.950 3.114 1.00 . A A . 8 TYR HE2 1 1 15 5489 1 1 8 TYR HH H -12.787 3.925 1.593 1.00 . A A . 8 TYR HH 1 1 15 5490 1 1 8 TYR N N -5.196 1.956 -0.989 1.00 . A A . 8 TYR N 1 1 15 5491 1 1 8 TYR O O -6.198 5.031 -0.465 1.00 . A A . 8 TYR O 1 1 15 5492 1 1 8 TYR OH O -12.022 4.497 1.686 1.00 . A A . 8 TYR OH 1 1 15 5493 1 1 9 ASN C C -4.799 5.532 2.039 1.00 . A A . 9 ASN C 1 1 15 5494 1 1 9 ASN CA C -6.165 4.857 2.220 1.00 . A A . 9 ASN CA 1 1 15 5495 1 1 9 ASN CB C -6.274 4.241 3.614 1.00 . A A . 9 ASN CB 1 1 15 5496 1 1 9 ASN CG C -7.231 5.073 4.470 1.00 . A A . 9 ASN CG 1 1 15 5497 1 1 9 ASN H H -6.428 2.810 1.634 1.00 . A A . 9 ASN H 1 1 15 5498 1 1 9 ASN HA H -6.959 5.564 2.071 1.00 . A A . 9 ASN HA 1 1 15 5499 1 1 9 ASN HB2 H -6.647 3.230 3.532 1.00 . A A . 9 ASN HB2 1 1 15 5500 1 1 9 ASN HB3 H -5.299 4.228 4.078 1.00 . A A . 9 ASN HB3 1 1 15 5501 1 1 9 ASN HD21 H -8.780 4.803 3.256 1.00 . A A . 9 ASN HD21 1 1 15 5502 1 1 9 ASN HD22 H -9.091 5.752 4.629 1.00 . A A . 9 ASN HD22 1 1 15 5503 1 1 9 ASN N N -6.322 3.714 1.283 1.00 . A A . 9 ASN N 1 1 15 5504 1 1 9 ASN ND2 N -8.470 5.223 4.086 1.00 . A A . 9 ASN ND2 1 1 15 5505 1 1 9 ASN O O -4.635 6.702 2.323 1.00 . A A . 9 ASN O 1 1 15 5506 1 1 9 ASN OD1 O -6.848 5.594 5.498 1.00 . A A . 9 ASN OD1 1 1 15 5507 1 1 10 CYS C C -2.403 6.248 0.132 1.00 . A A . 10 CYS C 1 1 15 5508 1 1 10 CYS CA C -2.465 5.402 1.405 1.00 . A A . 10 CYS CA 1 1 15 5509 1 1 10 CYS CB C -1.516 4.207 1.304 1.00 . A A . 10 CYS CB 1 1 15 5510 1 1 10 CYS H H -3.956 3.865 1.372 1.00 . A A . 10 CYS H 1 1 15 5511 1 1 10 CYS HA H -2.214 5.992 2.257 1.00 . A A . 10 CYS HA 1 1 15 5512 1 1 10 CYS HB2 H -1.871 3.412 1.942 1.00 . A A . 10 CYS HB2 1 1 15 5513 1 1 10 CYS HB3 H -1.482 3.860 0.282 1.00 . A A . 10 CYS HB3 1 1 15 5514 1 1 10 CYS N N -3.815 4.804 1.583 1.00 . A A . 10 CYS N 1 1 15 5515 1 1 10 CYS O O -2.235 7.451 0.177 1.00 . A A . 10 CYS O 1 1 15 5516 1 1 10 CYS SG S 0.144 4.702 1.829 1.00 . A A . 10 CYS SG 1 1 15 5517 1 1 11 MET C C -3.599 7.392 -2.375 1.00 . A A . 11 MET C 1 1 15 5518 1 1 11 MET CA C -2.465 6.370 -2.286 1.00 . A A . 11 MET CA 1 1 15 5519 1 1 11 MET CB C -2.629 5.304 -3.359 1.00 . A A . 11 MET CB 1 1 15 5520 1 1 11 MET CE C 0.650 6.419 -3.260 1.00 . A A . 11 MET CE 1 1 15 5521 1 1 11 MET CG C -1.310 4.552 -3.532 1.00 . A A . 11 MET CG 1 1 15 5522 1 1 11 MET H H -2.653 4.652 -1.004 1.00 . A A . 11 MET H 1 1 15 5523 1 1 11 MET HA H -1.512 6.849 -2.397 1.00 . A A . 11 MET HA 1 1 15 5524 1 1 11 MET HB2 H -3.404 4.615 -3.063 1.00 . A A . 11 MET HB2 1 1 15 5525 1 1 11 MET HB3 H -2.900 5.773 -4.292 1.00 . A A . 11 MET HB3 1 1 15 5526 1 1 11 MET HE1 H 0.575 5.856 -2.340 1.00 . A A . 11 MET HE1 1 1 15 5527 1 1 11 MET HE2 H 0.189 7.385 -3.127 1.00 . A A . 11 MET HE2 1 1 15 5528 1 1 11 MET HE3 H 1.690 6.550 -3.525 1.00 . A A . 11 MET HE3 1 1 15 5529 1 1 11 MET HG2 H -0.852 4.392 -2.565 1.00 . A A . 11 MET HG2 1 1 15 5530 1 1 11 MET HG3 H -1.504 3.601 -3.999 1.00 . A A . 11 MET HG3 1 1 15 5531 1 1 11 MET N N -2.525 5.622 -0.999 1.00 . A A . 11 MET N 1 1 15 5532 1 1 11 MET O O -3.376 8.560 -2.623 1.00 . A A . 11 MET O 1 1 15 5533 1 1 11 MET SD S -0.198 5.521 -4.582 1.00 . A A . 11 MET SD 1 1 15 5534 1 1 12 ASN C C -5.626 9.235 -1.620 1.00 . A A . 12 ASN C 1 1 15 5535 1 1 12 ASN CA C -5.971 7.891 -2.266 1.00 . A A . 12 ASN CA 1 1 15 5536 1 1 12 ASN CB C -7.095 7.200 -1.495 1.00 . A A . 12 ASN CB 1 1 15 5537 1 1 12 ASN CG C -8.349 8.075 -1.528 1.00 . A A . 12 ASN CG 1 1 15 5538 1 1 12 ASN H H -4.962 6.004 -1.994 1.00 . A A . 12 ASN H 1 1 15 5539 1 1 12 ASN HA H -6.266 8.035 -3.290 1.00 . A A . 12 ASN HA 1 1 15 5540 1 1 12 ASN HB2 H -7.309 6.245 -1.952 1.00 . A A . 12 ASN HB2 1 1 15 5541 1 1 12 ASN HB3 H -6.790 7.050 -0.471 1.00 . A A . 12 ASN HB3 1 1 15 5542 1 1 12 ASN HD21 H -9.069 7.351 0.174 1.00 . A A . 12 ASN HD21 1 1 15 5543 1 1 12 ASN HD22 H -10.029 8.533 -0.574 1.00 . A A . 12 ASN HD22 1 1 15 5544 1 1 12 ASN N N -4.811 6.954 -2.184 1.00 . A A . 12 ASN N 1 1 15 5545 1 1 12 ASN ND2 N -9.222 7.979 -0.562 1.00 . A A . 12 ASN ND2 1 1 15 5546 1 1 12 ASN O O -5.422 10.224 -2.295 1.00 . A A . 12 ASN O 1 1 15 5547 1 1 12 ASN OD1 O -8.537 8.853 -2.441 1.00 . A A . 12 ASN OD1 1 1 15 5548 1 1 13 SER C C -5.524 10.430 1.878 1.00 . A A . 13 SER C 1 1 15 5549 1 1 13 SER CA C -5.226 10.550 0.380 1.00 . A A . 13 SER CA 1 1 15 5550 1 1 13 SER CB C -6.125 11.612 -0.256 1.00 . A A . 13 SER CB 1 1 15 5551 1 1 13 SER H H -5.722 8.464 0.201 1.00 . A A . 13 SER H 1 1 15 5552 1 1 13 SER HA H -4.193 10.800 0.222 1.00 . A A . 13 SER HA 1 1 15 5553 1 1 13 SER HB2 H -6.320 12.396 0.457 1.00 . A A . 13 SER HB2 1 1 15 5554 1 1 13 SER HB3 H -5.630 12.031 -1.122 1.00 . A A . 13 SER HB3 1 1 15 5555 1 1 13 SER HG H -7.595 11.361 -1.506 1.00 . A A . 13 SER HG 1 1 15 5556 1 1 13 SER N N -5.558 9.274 -0.318 1.00 . A A . 13 SER N 1 1 15 5557 1 1 13 SER O O -6.658 10.521 2.304 1.00 . A A . 13 SER O 1 1 15 5558 1 1 13 SER OG O -7.357 11.016 -0.642 1.00 . A A . 13 SER OG 1 1 15 5559 1 1 14 GLY C C -3.417 9.745 4.822 1.00 . A A . 14 GLY C 1 1 15 5560 1 1 14 GLY CA C -4.734 10.105 4.137 1.00 . A A . 14 GLY CA 1 1 15 5561 1 1 14 GLY H H -3.614 10.159 2.321 1.00 . A A . 14 GLY H 1 1 15 5562 1 1 14 GLY HA2 H -5.096 11.042 4.521 1.00 . A A . 14 GLY HA2 1 1 15 5563 1 1 14 GLY HA3 H -5.454 9.329 4.322 1.00 . A A . 14 GLY HA3 1 1 15 5564 1 1 14 GLY N N -4.514 10.228 2.677 1.00 . A A . 14 GLY N 1 1 15 5565 1 1 14 GLY O O -2.993 10.393 5.759 1.00 . A A . 14 GLY O 1 1 15 5566 1 1 15 GLY C C -0.645 7.539 3.945 1.00 . A A . 15 GLY C 1 1 15 5567 1 1 15 GLY CA C -1.476 8.303 4.976 1.00 . A A . 15 GLY CA 1 1 15 5568 1 1 15 GLY H H -3.134 8.212 3.605 1.00 . A A . 15 GLY H 1 1 15 5569 1 1 15 GLY HA2 H -0.935 9.183 5.299 1.00 . A A . 15 GLY HA2 1 1 15 5570 1 1 15 GLY HA3 H -1.670 7.663 5.823 1.00 . A A . 15 GLY HA3 1 1 15 5571 1 1 15 GLY N N -2.769 8.716 4.360 1.00 . A A . 15 GLY N 1 1 15 5572 1 1 15 GLY O O -0.696 6.329 3.868 1.00 . A A . 15 GLY O 1 1 15 5573 1 1 16 GLY C C 1.931 8.557 1.517 1.00 . A A . 16 GLY C 1 1 15 5574 1 1 16 GLY CA C 0.950 7.557 2.131 1.00 . A A . 16 GLY CA 1 1 15 5575 1 1 16 GLY H H 0.149 9.204 3.227 1.00 . A A . 16 GLY H 1 1 15 5576 1 1 16 GLY HA2 H 1.497 6.757 2.599 1.00 . A A . 16 GLY HA2 1 1 15 5577 1 1 16 GLY HA3 H 0.313 7.162 1.357 1.00 . A A . 16 GLY HA3 1 1 15 5578 1 1 16 GLY N N 0.120 8.237 3.152 1.00 . A A . 16 GLY N 1 1 15 5579 1 1 16 GLY O O 1.666 9.153 0.493 1.00 . A A . 16 GLY O 1 1 15 5580 1 1 17 LEU C C 4.460 9.302 0.162 1.00 . A A . 17 LEU C 1 1 15 5581 1 1 17 LEU CA C 4.065 9.702 1.586 1.00 . A A . 17 LEU CA 1 1 15 5582 1 1 17 LEU CB C 5.258 9.602 2.522 1.00 . A A . 17 LEU CB 1 1 15 5583 1 1 17 LEU CD1 C 6.998 7.884 2.136 1.00 . A A . 17 LEU CD1 1 1 15 5584 1 1 17 LEU CD2 C 5.606 7.820 4.212 1.00 . A A . 17 LEU CD2 1 1 15 5585 1 1 17 LEU CG C 5.613 8.139 2.719 1.00 . A A . 17 LEU CG 1 1 15 5586 1 1 17 LEU H H 3.259 8.249 2.959 1.00 . A A . 17 LEU H 1 1 15 5587 1 1 17 LEU HA H 3.677 10.697 1.603 1.00 . A A . 17 LEU HA 1 1 15 5588 1 1 17 LEU HB2 H 6.099 10.125 2.089 1.00 . A A . 17 LEU HB2 1 1 15 5589 1 1 17 LEU HB3 H 5.008 10.043 3.474 1.00 . A A . 17 LEU HB3 1 1 15 5590 1 1 17 LEU HD11 H 7.018 8.215 1.108 1.00 . A A . 17 LEU HD11 1 1 15 5591 1 1 17 LEU HD12 H 7.218 6.830 2.182 1.00 . A A . 17 LEU HD12 1 1 15 5592 1 1 17 LEU HD13 H 7.732 8.434 2.705 1.00 . A A . 17 LEU HD13 1 1 15 5593 1 1 17 LEU HD21 H 5.023 6.928 4.386 1.00 . A A . 17 LEU HD21 1 1 15 5594 1 1 17 LEU HD22 H 5.169 8.647 4.753 1.00 . A A . 17 LEU HD22 1 1 15 5595 1 1 17 LEU HD23 H 6.617 7.663 4.551 1.00 . A A . 17 LEU HD23 1 1 15 5596 1 1 17 LEU HG H 4.889 7.519 2.211 1.00 . A A . 17 LEU HG 1 1 15 5597 1 1 17 LEU N N 3.065 8.742 2.134 1.00 . A A . 17 LEU N 1 1 15 5598 1 1 17 LEU O O 5.008 10.090 -0.584 1.00 . A A . 17 LEU O 1 1 15 5599 1 1 18 SER C C 3.635 6.499 -2.045 1.00 . A A . 18 SER C 1 1 15 5600 1 1 18 SER CA C 4.546 7.639 -1.598 1.00 . A A . 18 SER CA 1 1 15 5601 1 1 18 SER CB C 5.989 7.154 -1.497 1.00 . A A . 18 SER CB 1 1 15 5602 1 1 18 SER H H 3.745 7.465 0.394 1.00 . A A . 18 SER H 1 1 15 5603 1 1 18 SER HA H 4.485 8.459 -2.292 1.00 . A A . 18 SER HA 1 1 15 5604 1 1 18 SER HB2 H 6.298 7.155 -0.468 1.00 . A A . 18 SER HB2 1 1 15 5605 1 1 18 SER HB3 H 6.058 6.148 -1.890 1.00 . A A . 18 SER HB3 1 1 15 5606 1 1 18 SER HG H 6.839 7.726 -3.152 1.00 . A A . 18 SER HG 1 1 15 5607 1 1 18 SER N N 4.186 8.086 -0.222 1.00 . A A . 18 SER N 1 1 15 5608 1 1 18 SER O O 2.594 6.252 -1.469 1.00 . A A . 18 SER O 1 1 15 5609 1 1 18 SER OG O 6.832 8.025 -2.240 1.00 . A A . 18 SER OG 1 1 15 5610 1 1 19 PHE C C 3.888 3.349 -3.284 1.00 . A A . 19 PHE C 1 1 15 5611 1 1 19 PHE CA C 3.196 4.676 -3.579 1.00 . A A . 19 PHE CA 1 1 15 5612 1 1 19 PHE CB C 3.099 4.904 -5.088 1.00 . A A . 19 PHE CB 1 1 15 5613 1 1 19 PHE CD1 C 1.409 3.025 -4.901 1.00 . A A . 19 PHE CD1 1 1 15 5614 1 1 19 PHE CD2 C 1.866 3.979 -7.082 1.00 . A A . 19 PHE CD2 1 1 15 5615 1 1 19 PHE CE1 C 0.490 2.142 -5.480 1.00 . A A . 19 PHE CE1 1 1 15 5616 1 1 19 PHE CE2 C 0.947 3.096 -7.661 1.00 . A A . 19 PHE CE2 1 1 15 5617 1 1 19 PHE CG C 2.100 3.946 -5.702 1.00 . A A . 19 PHE CG 1 1 15 5618 1 1 19 PHE CZ C 0.259 2.178 -6.859 1.00 . A A . 19 PHE CZ 1 1 15 5619 1 1 19 PHE H H 4.870 6.031 -3.517 1.00 . A A . 19 PHE H 1 1 15 5620 1 1 19 PHE HA H 2.216 4.695 -3.137 1.00 . A A . 19 PHE HA 1 1 15 5621 1 1 19 PHE HB2 H 2.785 5.919 -5.275 1.00 . A A . 19 PHE HB2 1 1 15 5622 1 1 19 PHE HB3 H 4.070 4.741 -5.534 1.00 . A A . 19 PHE HB3 1 1 15 5623 1 1 19 PHE HD1 H 1.587 2.996 -3.836 1.00 . A A . 19 PHE HD1 1 1 15 5624 1 1 19 PHE HD2 H 2.397 4.687 -7.701 1.00 . A A . 19 PHE HD2 1 1 15 5625 1 1 19 PHE HE1 H -0.041 1.433 -4.862 1.00 . A A . 19 PHE HE1 1 1 15 5626 1 1 19 PHE HE2 H 0.769 3.124 -8.725 1.00 . A A . 19 PHE HE2 1 1 15 5627 1 1 19 PHE HZ H -0.451 1.497 -7.306 1.00 . A A . 19 PHE HZ 1 1 15 5628 1 1 19 PHE N N 4.026 5.806 -3.074 1.00 . A A . 19 PHE N 1 1 15 5629 1 1 19 PHE O O 3.324 2.460 -2.681 1.00 . A A . 19 PHE O 1 1 15 5630 1 1 20 ILE C C 5.866 1.688 -1.930 1.00 . A A . 20 ILE C 1 1 15 5631 1 1 20 ILE CA C 5.850 1.944 -3.434 1.00 . A A . 20 ILE CA 1 1 15 5632 1 1 20 ILE CB C 7.288 2.140 -3.937 1.00 . A A . 20 ILE CB 1 1 15 5633 1 1 20 ILE CD1 C 7.736 4.445 -4.760 1.00 . A A . 20 ILE CD1 1 1 15 5634 1 1 20 ILE CG1 C 7.312 3.035 -5.177 1.00 . A A . 20 ILE CG1 1 1 15 5635 1 1 20 ILE CG2 C 7.888 0.779 -4.292 1.00 . A A . 20 ILE CG2 1 1 15 5636 1 1 20 ILE H H 5.539 3.957 -4.174 1.00 . A A . 20 ILE H 1 1 15 5637 1 1 20 ILE HA H 5.383 1.121 -3.952 1.00 . A A . 20 ILE HA 1 1 15 5638 1 1 20 ILE HB H 7.879 2.595 -3.153 1.00 . A A . 20 ILE HB 1 1 15 5639 1 1 20 ILE HD11 H 8.663 4.702 -5.248 1.00 . A A . 20 ILE HD11 1 1 15 5640 1 1 20 ILE HD12 H 7.873 4.475 -3.688 1.00 . A A . 20 ILE HD12 1 1 15 5641 1 1 20 ILE HD13 H 6.970 5.150 -5.044 1.00 . A A . 20 ILE HD13 1 1 15 5642 1 1 20 ILE HG12 H 8.016 2.641 -5.895 1.00 . A A . 20 ILE HG12 1 1 15 5643 1 1 20 ILE HG13 H 6.327 3.072 -5.617 1.00 . A A . 20 ILE HG13 1 1 15 5644 1 1 20 ILE HG21 H 7.092 0.078 -4.498 1.00 . A A . 20 ILE HG21 1 1 15 5645 1 1 20 ILE HG22 H 8.479 0.419 -3.463 1.00 . A A . 20 ILE HG22 1 1 15 5646 1 1 20 ILE HG23 H 8.515 0.879 -5.165 1.00 . A A . 20 ILE HG23 1 1 15 5647 1 1 20 ILE N N 5.112 3.218 -3.700 1.00 . A A . 20 ILE N 1 1 15 5648 1 1 20 ILE O O 5.948 0.563 -1.479 1.00 . A A . 20 ILE O 1 1 15 5649 1 1 21 GLN C C 4.526 1.844 0.774 1.00 . A A . 21 GLN C 1 1 15 5650 1 1 21 GLN CA C 5.801 2.557 0.326 1.00 . A A . 21 GLN CA 1 1 15 5651 1 1 21 GLN CB C 5.851 3.974 0.892 1.00 . A A . 21 GLN CB 1 1 15 5652 1 1 21 GLN CD C 8.338 4.159 1.012 1.00 . A A . 21 GLN CD 1 1 15 5653 1 1 21 GLN CG C 7.077 4.697 0.336 1.00 . A A . 21 GLN CG 1 1 15 5654 1 1 21 GLN H H 5.723 3.631 -1.539 1.00 . A A . 21 GLN H 1 1 15 5655 1 1 21 GLN HA H 6.675 2.006 0.629 1.00 . A A . 21 GLN HA 1 1 15 5656 1 1 21 GLN HB2 H 4.956 4.508 0.608 1.00 . A A . 21 GLN HB2 1 1 15 5657 1 1 21 GLN HB3 H 5.919 3.931 1.969 1.00 . A A . 21 GLN HB3 1 1 15 5658 1 1 21 GLN HE21 H 9.382 4.094 -0.677 1.00 . A A . 21 GLN HE21 1 1 15 5659 1 1 21 GLN HE22 H 10.212 3.579 0.711 1.00 . A A . 21 GLN HE22 1 1 15 5660 1 1 21 GLN HG2 H 7.140 4.529 -0.729 1.00 . A A . 21 GLN HG2 1 1 15 5661 1 1 21 GLN HG3 H 6.990 5.753 0.531 1.00 . A A . 21 GLN HG3 1 1 15 5662 1 1 21 GLN N N 5.789 2.731 -1.150 1.00 . A A . 21 GLN N 1 1 15 5663 1 1 21 GLN NE2 N 9.399 3.924 0.288 1.00 . A A . 21 GLN NE2 1 1 15 5664 1 1 21 GLN O O 4.450 1.303 1.860 1.00 . A A . 21 GLN O 1 1 15 5665 1 1 21 GLN OE1 O 8.360 3.948 2.207 1.00 . A A . 21 GLN OE1 1 1 15 5666 1 1 22 CYS C C 1.858 0.148 -0.770 1.00 . A A . 22 CYS C 1 1 15 5667 1 1 22 CYS CA C 2.247 1.162 0.307 1.00 . A A . 22 CYS CA 1 1 15 5668 1 1 22 CYS CB C 1.214 2.285 0.369 1.00 . A A . 22 CYS CB 1 1 15 5669 1 1 22 CYS H H 3.610 2.284 -0.928 1.00 . A A . 22 CYS H 1 1 15 5670 1 1 22 CYS HA H 2.334 0.682 1.268 1.00 . A A . 22 CYS HA 1 1 15 5671 1 1 22 CYS HB2 H 1.497 3.070 -0.319 1.00 . A A . 22 CYS HB2 1 1 15 5672 1 1 22 CYS HB3 H 0.246 1.895 0.093 1.00 . A A . 22 CYS HB3 1 1 15 5673 1 1 22 CYS N N 3.524 1.839 -0.059 1.00 . A A . 22 CYS N 1 1 15 5674 1 1 22 CYS O O 1.310 -0.899 -0.483 1.00 . A A . 22 CYS O 1 1 15 5675 1 1 22 CYS SG S 1.138 2.957 2.048 1.00 . A A . 22 CYS SG 1 1 15 5676 1 1 23 LYS C C 2.055 -1.929 -2.707 1.00 . A A . 23 LYS C 1 1 15 5677 1 1 23 LYS CA C 1.770 -0.481 -3.112 1.00 . A A . 23 LYS CA 1 1 15 5678 1 1 23 LYS CB C 2.659 -0.069 -4.287 1.00 . A A . 23 LYS CB 1 1 15 5679 1 1 23 LYS CD C 1.087 -1.452 -5.654 1.00 . A A . 23 LYS CD 1 1 15 5680 1 1 23 LYS CE C 0.908 -1.896 -7.107 1.00 . A A . 23 LYS CE 1 1 15 5681 1 1 23 LYS CG C 2.558 -1.115 -5.398 1.00 . A A . 23 LYS CG 1 1 15 5682 1 1 23 LYS H H 2.566 1.310 -2.215 1.00 . A A . 23 LYS H 1 1 15 5683 1 1 23 LYS HA H 0.736 -0.364 -3.379 1.00 . A A . 23 LYS HA 1 1 15 5684 1 1 23 LYS HB2 H 2.333 0.890 -4.664 1.00 . A A . 23 LYS HB2 1 1 15 5685 1 1 23 LYS HB3 H 3.684 0.005 -3.955 1.00 . A A . 23 LYS HB3 1 1 15 5686 1 1 23 LYS HD2 H 0.780 -2.248 -4.991 1.00 . A A . 23 LYS HD2 1 1 15 5687 1 1 23 LYS HD3 H 0.481 -0.576 -5.471 1.00 . A A . 23 LYS HD3 1 1 15 5688 1 1 23 LYS HE2 H -0.096 -2.268 -7.264 1.00 . A A . 23 LYS HE2 1 1 15 5689 1 1 23 LYS HE3 H 1.118 -1.080 -7.780 1.00 . A A . 23 LYS HE3 1 1 15 5690 1 1 23 LYS HG2 H 3.001 -0.725 -6.302 1.00 . A A . 23 LYS HG2 1 1 15 5691 1 1 23 LYS HG3 H 3.082 -2.011 -5.098 1.00 . A A . 23 LYS HG3 1 1 15 5692 1 1 23 LYS HZ1 H 1.791 -3.397 -8.248 1.00 . A A . 23 LYS HZ1 1 1 15 5693 1 1 23 LYS HZ2 H 1.752 -3.726 -6.581 1.00 . A A . 23 LYS HZ2 1 1 15 5694 1 1 23 LYS HZ3 H 2.864 -2.601 -7.204 1.00 . A A . 23 LYS HZ3 1 1 15 5695 1 1 23 LYS N N 2.130 0.456 -2.009 1.00 . A A . 23 LYS N 1 1 15 5696 1 1 23 LYS NZ N 1.904 -2.987 -7.300 1.00 . A A . 23 LYS NZ 1 1 15 5697 1 1 23 LYS O O 1.204 -2.790 -2.806 1.00 . A A . 23 LYS O 1 1 15 5698 1 1 24 THR C C 4.341 -3.623 -0.525 1.00 . A A . 24 THR C 1 1 15 5699 1 1 24 THR CA C 3.584 -3.602 -1.859 1.00 . A A . 24 THR CA 1 1 15 5700 1 1 24 THR CB C 4.477 -4.131 -2.984 1.00 . A A . 24 THR CB 1 1 15 5701 1 1 24 THR CG2 C 3.674 -5.082 -3.872 1.00 . A A . 24 THR CG2 1 1 15 5702 1 1 24 THR H H 3.918 -1.497 -2.196 1.00 . A A . 24 THR H 1 1 15 5703 1 1 24 THR HA H 2.689 -4.199 -1.792 1.00 . A A . 24 THR HA 1 1 15 5704 1 1 24 THR HB H 5.313 -4.664 -2.559 1.00 . A A . 24 THR HB 1 1 15 5705 1 1 24 THR HG1 H 5.914 -3.058 -3.738 1.00 . A A . 24 THR HG1 1 1 15 5706 1 1 24 THR HG21 H 2.979 -4.514 -4.473 1.00 . A A . 24 THR HG21 1 1 15 5707 1 1 24 THR HG22 H 3.128 -5.779 -3.253 1.00 . A A . 24 THR HG22 1 1 15 5708 1 1 24 THR HG23 H 4.347 -5.625 -4.519 1.00 . A A . 24 THR HG23 1 1 15 5709 1 1 24 THR N N 3.246 -2.204 -2.260 1.00 . A A . 24 THR N 1 1 15 5710 1 1 24 THR O O 4.647 -4.673 0.004 1.00 . A A . 24 THR O 1 1 15 5711 1 1 24 THR OG1 O 4.954 -3.042 -3.762 1.00 . A A . 24 THR OG1 1 1 15 5712 1 1 25 MET C C 4.496 -2.914 2.457 1.00 . A A . 25 MET C 1 1 15 5713 1 1 25 MET CA C 5.395 -2.453 1.307 1.00 . A A . 25 MET CA 1 1 15 5714 1 1 25 MET CB C 5.806 -0.995 1.492 1.00 . A A . 25 MET CB 1 1 15 5715 1 1 25 MET CE C 8.434 1.251 2.451 1.00 . A A . 25 MET CE 1 1 15 5716 1 1 25 MET CG C 7.285 -0.834 1.142 1.00 . A A . 25 MET CG 1 1 15 5717 1 1 25 MET H H 4.412 -1.643 -0.414 1.00 . A A . 25 MET H 1 1 15 5718 1 1 25 MET HA H 6.268 -3.071 1.239 1.00 . A A . 25 MET HA 1 1 15 5719 1 1 25 MET HB2 H 5.212 -0.372 0.842 1.00 . A A . 25 MET HB2 1 1 15 5720 1 1 25 MET HB3 H 5.647 -0.702 2.519 1.00 . A A . 25 MET HB3 1 1 15 5721 1 1 25 MET HE1 H 9.368 1.561 2.900 1.00 . A A . 25 MET HE1 1 1 15 5722 1 1 25 MET HE2 H 7.618 1.762 2.935 1.00 . A A . 25 MET HE2 1 1 15 5723 1 1 25 MET HE3 H 8.435 1.495 1.398 1.00 . A A . 25 MET HE3 1 1 15 5724 1 1 25 MET HG2 H 7.641 -1.735 0.665 1.00 . A A . 25 MET HG2 1 1 15 5725 1 1 25 MET HG3 H 7.406 0.001 0.469 1.00 . A A . 25 MET HG3 1 1 15 5726 1 1 25 MET N N 4.654 -2.479 0.021 1.00 . A A . 25 MET N 1 1 15 5727 1 1 25 MET O O 4.462 -4.078 2.802 1.00 . A A . 25 MET O 1 1 15 5728 1 1 25 MET SD S 8.236 -0.537 2.653 1.00 . A A . 25 MET SD 1 1 15 5729 1 1 26 CYS C C 2.080 -3.648 3.821 1.00 . A A . 26 CYS C 1 1 15 5730 1 1 26 CYS CA C 2.880 -2.395 4.185 1.00 . A A . 26 CYS CA 1 1 15 5731 1 1 26 CYS CB C 1.951 -1.195 4.385 1.00 . A A . 26 CYS CB 1 1 15 5732 1 1 26 CYS H H 3.815 -1.074 2.765 1.00 . A A . 26 CYS H 1 1 15 5733 1 1 26 CYS HA H 3.458 -2.564 5.079 1.00 . A A . 26 CYS HA 1 1 15 5734 1 1 26 CYS HB2 H 1.259 -1.408 5.183 1.00 . A A . 26 CYS HB2 1 1 15 5735 1 1 26 CYS HB3 H 2.538 -0.325 4.640 1.00 . A A . 26 CYS HB3 1 1 15 5736 1 1 26 CYS N N 3.772 -2.008 3.056 1.00 . A A . 26 CYS N 1 1 15 5737 1 1 26 CYS O O 1.160 -3.604 3.029 1.00 . A A . 26 CYS O 1 1 15 5738 1 1 26 CYS SG S 1.031 -0.875 2.859 1.00 . A A . 26 CYS SG 1 1 15 5739 1 1 27 TYR C C 0.339 -6.040 4.799 1.00 . A A . 27 TYR C 1 1 15 5740 1 1 27 TYR CA C 1.692 -6.025 4.083 1.00 . A A . 27 TYR CA 1 1 15 5741 1 1 27 TYR CB C 2.590 -7.145 4.609 1.00 . A A . 27 TYR CB 1 1 15 5742 1 1 27 TYR CD1 C 1.970 -9.455 5.403 1.00 . A A . 27 TYR CD1 1 1 15 5743 1 1 27 TYR CD2 C 1.204 -8.725 3.222 1.00 . A A . 27 TYR CD2 1 1 15 5744 1 1 27 TYR CE1 C 1.333 -10.687 5.214 1.00 . A A . 27 TYR CE1 1 1 15 5745 1 1 27 TYR CE2 C 0.567 -9.956 3.033 1.00 . A A . 27 TYR CE2 1 1 15 5746 1 1 27 TYR CG C 1.905 -8.473 4.407 1.00 . A A . 27 TYR CG 1 1 15 5747 1 1 27 TYR CZ C 0.631 -10.938 4.028 1.00 . A A . 27 TYR CZ 1 1 15 5748 1 1 27 TYR H H 3.174 -4.780 5.029 1.00 . A A . 27 TYR H 1 1 15 5749 1 1 27 TYR HA H 1.559 -6.131 3.019 1.00 . A A . 27 TYR HA 1 1 15 5750 1 1 27 TYR HB2 H 3.529 -7.136 4.072 1.00 . A A . 27 TYR HB2 1 1 15 5751 1 1 27 TYR HB3 H 2.775 -6.992 5.664 1.00 . A A . 27 TYR HB3 1 1 15 5752 1 1 27 TYR HD1 H 2.511 -9.262 6.318 1.00 . A A . 27 TYR HD1 1 1 15 5753 1 1 27 TYR HD2 H 1.154 -7.968 2.453 1.00 . A A . 27 TYR HD2 1 1 15 5754 1 1 27 TYR HE1 H 1.382 -11.445 5.983 1.00 . A A . 27 TYR HE1 1 1 15 5755 1 1 27 TYR HE2 H 0.026 -10.150 2.118 1.00 . A A . 27 TYR HE2 1 1 15 5756 1 1 27 TYR HH H -0.912 -12.059 4.119 1.00 . A A . 27 TYR HH 1 1 15 5757 1 1 27 TYR N N 2.427 -4.767 4.394 1.00 . A A . 27 TYR N 1 1 15 5758 1 1 27 TYR O O 0.059 -7.017 5.475 1.00 . A A . 27 TYR O 1 1 15 5759 1 1 27 TYR OXT O -0.395 -5.077 4.657 1.00 . A A . 27 TYR OXT 1 1 15 5760 1 1 27 TYR OH O 0.003 -12.152 3.842 1.00 . A A . 27 TYR OH 1 1 16 5761 1 1 1 GLY C C -3.088 -9.602 2.053 1.00 . A A . 1 GLY C 1 1 16 5762 1 1 1 GLY CA C -4.102 -10.518 1.365 1.00 . A A . 1 GLY CA 1 1 16 5763 1 1 1 GLY H1 H -4.889 -12.054 2.530 1.00 . A A . 1 GLY H1 1 1 16 5764 1 1 1 GLY H2 H -3.194 -11.949 2.575 1.00 . A A . 1 GLY H2 1 1 16 5765 1 1 1 GLY H3 H -3.972 -12.591 1.208 1.00 . A A . 1 GLY H3 1 1 16 5766 1 1 1 GLY HA2 H -3.876 -10.578 0.309 1.00 . A A . 1 GLY HA2 1 1 16 5767 1 1 1 GLY HA3 H -5.094 -10.115 1.498 1.00 . A A . 1 GLY HA3 1 1 16 5768 1 1 1 GLY N N -4.034 -11.881 1.964 1.00 . A A . 1 GLY N 1 1 16 5769 1 1 1 GLY O O -2.255 -10.046 2.818 1.00 . A A . 1 GLY O 1 1 16 5770 1 1 2 GLY C C -2.748 -5.958 2.345 1.00 . A A . 2 GLY C 1 1 16 5771 1 1 2 GLY CA C -2.193 -7.380 2.425 1.00 . A A . 2 GLY CA 1 1 16 5772 1 1 2 GLY H H -3.832 -7.989 1.167 1.00 . A A . 2 GLY H 1 1 16 5773 1 1 2 GLY HA2 H -2.051 -7.656 3.461 1.00 . A A . 2 GLY HA2 1 1 16 5774 1 1 2 GLY HA3 H -1.247 -7.424 1.907 1.00 . A A . 2 GLY HA3 1 1 16 5775 1 1 2 GLY N N -3.153 -8.326 1.786 1.00 . A A . 2 GLY N 1 1 16 5776 1 1 2 GLY O O -3.094 -5.358 3.343 1.00 . A A . 2 GLY O 1 1 16 5777 1 1 3 LEU C C -4.606 -3.850 1.903 1.00 . A A . 3 LEU C 1 1 16 5778 1 1 3 LEU CA C -3.369 -4.026 1.021 1.00 . A A . 3 LEU CA 1 1 16 5779 1 1 3 LEU CB C -3.743 -3.877 -0.459 1.00 . A A . 3 LEU CB 1 1 16 5780 1 1 3 LEU CD1 C -2.773 -3.783 -2.759 1.00 . A A . 3 LEU CD1 1 1 16 5781 1 1 3 LEU CD2 C -1.251 -3.907 -0.784 1.00 . A A . 3 LEU CD2 1 1 16 5782 1 1 3 LEU CG C -2.599 -4.364 -1.355 1.00 . A A . 3 LEU CG 1 1 16 5783 1 1 3 LEU H H -2.550 -5.914 0.373 1.00 . A A . 3 LEU H 1 1 16 5784 1 1 3 LEU HA H -2.616 -3.303 1.283 1.00 . A A . 3 LEU HA 1 1 16 5785 1 1 3 LEU HB2 H -4.630 -4.460 -0.662 1.00 . A A . 3 LEU HB2 1 1 16 5786 1 1 3 LEU HB3 H -3.944 -2.837 -0.671 1.00 . A A . 3 LEU HB3 1 1 16 5787 1 1 3 LEU HD11 H -3.560 -3.043 -2.746 1.00 . A A . 3 LEU HD11 1 1 16 5788 1 1 3 LEU HD12 H -3.034 -4.574 -3.446 1.00 . A A . 3 LEU HD12 1 1 16 5789 1 1 3 LEU HD13 H -1.849 -3.321 -3.074 1.00 . A A . 3 LEU HD13 1 1 16 5790 1 1 3 LEU HD21 H -1.409 -3.080 -0.110 1.00 . A A . 3 LEU HD21 1 1 16 5791 1 1 3 LEU HD22 H -0.606 -3.595 -1.592 1.00 . A A . 3 LEU HD22 1 1 16 5792 1 1 3 LEU HD23 H -0.790 -4.725 -0.251 1.00 . A A . 3 LEU HD23 1 1 16 5793 1 1 3 LEU HG H -2.621 -5.443 -1.412 1.00 . A A . 3 LEU HG 1 1 16 5794 1 1 3 LEU N N -2.834 -5.412 1.163 1.00 . A A . 3 LEU N 1 1 16 5795 1 1 3 LEU O O -4.628 -3.044 2.810 1.00 . A A . 3 LEU O 1 1 16 5796 1 1 4 GLY C C -7.192 -3.015 2.714 1.00 . A A . 4 GLY C 1 1 16 5797 1 1 4 GLY CA C -6.870 -4.488 2.463 1.00 . A A . 4 GLY CA 1 1 16 5798 1 1 4 GLY H H -5.590 -5.247 0.912 1.00 . A A . 4 GLY H 1 1 16 5799 1 1 4 GLY HA2 H -7.693 -4.954 1.938 1.00 . A A . 4 GLY HA2 1 1 16 5800 1 1 4 GLY HA3 H -6.719 -4.985 3.407 1.00 . A A . 4 GLY HA3 1 1 16 5801 1 1 4 GLY N N -5.633 -4.603 1.644 1.00 . A A . 4 GLY N 1 1 16 5802 1 1 4 GLY O O -7.152 -2.540 3.832 1.00 . A A . 4 GLY O 1 1 16 5803 1 1 5 ARG C C -6.613 -0.025 2.188 1.00 . A A . 5 ARG C 1 1 16 5804 1 1 5 ARG CA C -7.863 -0.848 1.844 1.00 . A A . 5 ARG CA 1 1 16 5805 1 1 5 ARG CB C -8.874 -0.807 2.988 1.00 . A A . 5 ARG CB 1 1 16 5806 1 1 5 ARG CD C -10.678 0.222 1.579 1.00 . A A . 5 ARG CD 1 1 16 5807 1 1 5 ARG CG C -9.799 0.403 2.823 1.00 . A A . 5 ARG CG 1 1 16 5808 1 1 5 ARG CZ C -10.548 2.116 0.062 1.00 . A A . 5 ARG CZ 1 1 16 5809 1 1 5 ARG H H -7.554 -2.704 0.795 1.00 . A A . 5 ARG H 1 1 16 5810 1 1 5 ARG HA H -8.316 -0.471 0.943 1.00 . A A . 5 ARG HA 1 1 16 5811 1 1 5 ARG HB2 H -9.461 -1.714 2.979 1.00 . A A . 5 ARG HB2 1 1 16 5812 1 1 5 ARG HB3 H -8.345 -0.730 3.925 1.00 . A A . 5 ARG HB3 1 1 16 5813 1 1 5 ARG HD2 H -10.126 -0.278 0.797 1.00 . A A . 5 ARG HD2 1 1 16 5814 1 1 5 ARG HD3 H -11.568 -0.334 1.826 1.00 . A A . 5 ARG HD3 1 1 16 5815 1 1 5 ARG HE H -11.656 2.137 1.711 1.00 . A A . 5 ARG HE 1 1 16 5816 1 1 5 ARG HG2 H -10.428 0.494 3.697 1.00 . A A . 5 ARG HG2 1 1 16 5817 1 1 5 ARG HG3 H -9.206 1.295 2.714 1.00 . A A . 5 ARG HG3 1 1 16 5818 1 1 5 ARG HH11 H -10.488 3.987 0.775 1.00 . A A . 5 ARG HH11 1 1 16 5819 1 1 5 ARG HH12 H -9.931 3.789 -0.853 1.00 . A A . 5 ARG HH12 1 1 16 5820 1 1 5 ARG HH21 H -10.487 0.366 -0.911 1.00 . A A . 5 ARG HH21 1 1 16 5821 1 1 5 ARG HH22 H -9.924 1.738 -1.803 1.00 . A A . 5 ARG HH22 1 1 16 5822 1 1 5 ARG N N -7.522 -2.293 1.682 1.00 . A A . 5 ARG N 1 1 16 5823 1 1 5 ARG NE N -11.042 1.607 1.161 1.00 . A A . 5 ARG NE 1 1 16 5824 1 1 5 ARG NH1 N -10.302 3.396 -0.011 1.00 . A A . 5 ARG NH1 1 1 16 5825 1 1 5 ARG NH2 N -10.301 1.346 -0.964 1.00 . A A . 5 ARG NH2 1 1 16 5826 1 1 5 ARG O O -6.686 1.169 2.390 1.00 . A A . 5 ARG O 1 1 16 5827 1 1 6 CYS C C -3.992 1.220 1.522 1.00 . A A . 6 CYS C 1 1 16 5828 1 1 6 CYS CA C -4.229 0.129 2.569 1.00 . A A . 6 CYS CA 1 1 16 5829 1 1 6 CYS CB C -3.091 -0.889 2.535 1.00 . A A . 6 CYS CB 1 1 16 5830 1 1 6 CYS H H -5.420 -1.605 2.079 1.00 . A A . 6 CYS H 1 1 16 5831 1 1 6 CYS HA H -4.302 0.564 3.551 1.00 . A A . 6 CYS HA 1 1 16 5832 1 1 6 CYS HB2 H -3.346 -1.693 1.861 1.00 . A A . 6 CYS HB2 1 1 16 5833 1 1 6 CYS HB3 H -2.187 -0.406 2.190 1.00 . A A . 6 CYS HB3 1 1 16 5834 1 1 6 CYS N N -5.468 -0.642 2.248 1.00 . A A . 6 CYS N 1 1 16 5835 1 1 6 CYS O O -4.361 2.362 1.708 1.00 . A A . 6 CYS O 1 1 16 5836 1 1 6 CYS SG S -2.827 -1.544 4.203 1.00 . A A . 6 CYS SG 1 1 16 5837 1 1 7 ILE C C -4.263 2.835 -0.807 1.00 . A A . 7 ILE C 1 1 16 5838 1 1 7 ILE CA C -3.088 1.878 -0.635 1.00 . A A . 7 ILE CA 1 1 16 5839 1 1 7 ILE CB C -2.867 1.047 -1.888 1.00 . A A . 7 ILE CB 1 1 16 5840 1 1 7 ILE CD1 C -1.760 -1.110 -1.311 1.00 . A A . 7 ILE CD1 1 1 16 5841 1 1 7 ILE CG1 C -1.532 0.333 -1.760 1.00 . A A . 7 ILE CG1 1 1 16 5842 1 1 7 ILE CG2 C -2.858 1.953 -3.120 1.00 . A A . 7 ILE CG2 1 1 16 5843 1 1 7 ILE H H -3.072 -0.051 0.301 1.00 . A A . 7 ILE H 1 1 16 5844 1 1 7 ILE HA H -2.195 2.429 -0.397 1.00 . A A . 7 ILE HA 1 1 16 5845 1 1 7 ILE HB H -3.648 0.319 -1.977 1.00 . A A . 7 ILE HB 1 1 16 5846 1 1 7 ILE HD11 H -2.813 -1.344 -1.370 1.00 . A A . 7 ILE HD11 1 1 16 5847 1 1 7 ILE HD12 H -1.422 -1.225 -0.291 1.00 . A A . 7 ILE HD12 1 1 16 5848 1 1 7 ILE HD13 H -1.206 -1.779 -1.951 1.00 . A A . 7 ILE HD13 1 1 16 5849 1 1 7 ILE HG12 H -1.031 0.338 -2.708 1.00 . A A . 7 ILE HG12 1 1 16 5850 1 1 7 ILE HG13 H -0.935 0.847 -1.029 1.00 . A A . 7 ILE HG13 1 1 16 5851 1 1 7 ILE HG21 H -3.867 2.063 -3.492 1.00 . A A . 7 ILE HG21 1 1 16 5852 1 1 7 ILE HG22 H -2.238 1.511 -3.887 1.00 . A A . 7 ILE HG22 1 1 16 5853 1 1 7 ILE HG23 H -2.465 2.922 -2.852 1.00 . A A . 7 ILE HG23 1 1 16 5854 1 1 7 ILE N N -3.368 0.874 0.426 1.00 . A A . 7 ILE N 1 1 16 5855 1 1 7 ILE O O -4.236 3.924 -0.288 1.00 . A A . 7 ILE O 1 1 16 5856 1 1 8 TYR C C -6.632 4.273 -0.531 1.00 . A A . 8 TYR C 1 1 16 5857 1 1 8 TYR CA C -6.458 3.365 -1.744 1.00 . A A . 8 TYR CA 1 1 16 5858 1 1 8 TYR CB C -7.727 2.502 -1.908 1.00 . A A . 8 TYR CB 1 1 16 5859 1 1 8 TYR CD1 C -6.842 0.490 -0.679 1.00 . A A . 8 TYR CD1 1 1 16 5860 1 1 8 TYR CD2 C -7.743 0.199 -2.907 1.00 . A A . 8 TYR CD2 1 1 16 5861 1 1 8 TYR CE1 C -6.567 -0.876 -0.610 1.00 . A A . 8 TYR CE1 1 1 16 5862 1 1 8 TYR CE2 C -7.471 -1.168 -2.838 1.00 . A A . 8 TYR CE2 1 1 16 5863 1 1 8 TYR CG C -7.428 1.026 -1.828 1.00 . A A . 8 TYR CG 1 1 16 5864 1 1 8 TYR CZ C -6.881 -1.709 -1.689 1.00 . A A . 8 TYR CZ 1 1 16 5865 1 1 8 TYR H H -5.256 1.566 -1.963 1.00 . A A . 8 TYR H 1 1 16 5866 1 1 8 TYR HA H -6.315 3.961 -2.626 1.00 . A A . 8 TYR HA 1 1 16 5867 1 1 8 TYR HB2 H -8.424 2.757 -1.127 1.00 . A A . 8 TYR HB2 1 1 16 5868 1 1 8 TYR HB3 H -8.178 2.721 -2.865 1.00 . A A . 8 TYR HB3 1 1 16 5869 1 1 8 TYR HD1 H -6.599 1.133 0.154 1.00 . A A . 8 TYR HD1 1 1 16 5870 1 1 8 TYR HD2 H -8.198 0.615 -3.794 1.00 . A A . 8 TYR HD2 1 1 16 5871 1 1 8 TYR HE1 H -6.116 -1.286 0.280 1.00 . A A . 8 TYR HE1 1 1 16 5872 1 1 8 TYR HE2 H -7.716 -1.804 -3.670 1.00 . A A . 8 TYR HE2 1 1 16 5873 1 1 8 TYR HH H -5.681 -3.187 -1.833 1.00 . A A . 8 TYR HH 1 1 16 5874 1 1 8 TYR N N -5.278 2.447 -1.540 1.00 . A A . 8 TYR N 1 1 16 5875 1 1 8 TYR O O -6.301 5.439 -0.560 1.00 . A A . 8 TYR O 1 1 16 5876 1 1 8 TYR OH O -6.610 -3.060 -1.623 1.00 . A A . 8 TYR OH 1 1 16 5877 1 1 9 ASN C C -6.043 5.346 2.082 1.00 . A A . 9 ASN C 1 1 16 5878 1 1 9 ASN CA C -7.327 4.576 1.748 1.00 . A A . 9 ASN CA 1 1 16 5879 1 1 9 ASN CB C -7.666 3.591 2.859 1.00 . A A . 9 ASN CB 1 1 16 5880 1 1 9 ASN CG C -8.705 4.214 3.786 1.00 . A A . 9 ASN CG 1 1 16 5881 1 1 9 ASN H H -7.396 2.803 0.548 1.00 . A A . 9 ASN H 1 1 16 5882 1 1 9 ASN HA H -8.145 5.243 1.594 1.00 . A A . 9 ASN HA 1 1 16 5883 1 1 9 ASN HB2 H -8.067 2.690 2.426 1.00 . A A . 9 ASN HB2 1 1 16 5884 1 1 9 ASN HB3 H -6.775 3.357 3.423 1.00 . A A . 9 ASN HB3 1 1 16 5885 1 1 9 ASN HD21 H -9.836 4.866 2.293 1.00 . A A . 9 ASN HD21 1 1 16 5886 1 1 9 ASN HD22 H -10.409 5.220 3.847 1.00 . A A . 9 ASN HD22 1 1 16 5887 1 1 9 ASN N N -7.138 3.744 0.540 1.00 . A A . 9 ASN N 1 1 16 5888 1 1 9 ASN ND2 N -9.737 4.818 3.266 1.00 . A A . 9 ASN ND2 1 1 16 5889 1 1 9 ASN O O -6.083 6.465 2.554 1.00 . A A . 9 ASN O 1 1 16 5890 1 1 9 ASN OD1 O -8.579 4.154 4.993 1.00 . A A . 9 ASN OD1 1 1 16 5891 1 1 10 CYS C C -3.225 6.391 1.048 1.00 . A A . 10 CYS C 1 1 16 5892 1 1 10 CYS CA C -3.619 5.420 2.161 1.00 . A A . 10 CYS CA 1 1 16 5893 1 1 10 CYS CB C -2.601 4.279 2.254 1.00 . A A . 10 CYS CB 1 1 16 5894 1 1 10 CYS H H -4.897 3.847 1.483 1.00 . A A . 10 CYS H 1 1 16 5895 1 1 10 CYS HA H -3.684 5.926 3.094 1.00 . A A . 10 CYS HA 1 1 16 5896 1 1 10 CYS HB2 H -2.773 3.719 3.159 1.00 . A A . 10 CYS HB2 1 1 16 5897 1 1 10 CYS HB3 H -2.719 3.624 1.403 1.00 . A A . 10 CYS HB3 1 1 16 5898 1 1 10 CYS N N -4.907 4.747 1.852 1.00 . A A . 10 CYS N 1 1 16 5899 1 1 10 CYS O O -3.209 7.590 1.223 1.00 . A A . 10 CYS O 1 1 16 5900 1 1 10 CYS SG S -0.917 4.948 2.268 1.00 . A A . 10 CYS SG 1 1 16 5901 1 1 11 MET C C -3.574 7.632 -1.723 1.00 . A A . 11 MET C 1 1 16 5902 1 1 11 MET CA C -2.457 6.703 -1.226 1.00 . A A . 11 MET CA 1 1 16 5903 1 1 11 MET CB C -2.089 5.684 -2.295 1.00 . A A . 11 MET CB 1 1 16 5904 1 1 11 MET CE C 0.464 6.874 -2.206 1.00 . A A . 11 MET CE 1 1 16 5905 1 1 11 MET CG C -1.061 4.698 -1.725 1.00 . A A . 11 MET CG 1 1 16 5906 1 1 11 MET H H -2.890 4.894 -0.179 1.00 . A A . 11 MET H 1 1 16 5907 1 1 11 MET HA H -1.590 7.270 -0.961 1.00 . A A . 11 MET HA 1 1 16 5908 1 1 11 MET HB2 H -2.976 5.145 -2.595 1.00 . A A . 11 MET HB2 1 1 16 5909 1 1 11 MET HB3 H -1.666 6.190 -3.146 1.00 . A A . 11 MET HB3 1 1 16 5910 1 1 11 MET HE1 H 1.219 7.582 -1.903 1.00 . A A . 11 MET HE1 1 1 16 5911 1 1 11 MET HE2 H -0.473 7.387 -2.348 1.00 . A A . 11 MET HE2 1 1 16 5912 1 1 11 MET HE3 H 0.753 6.400 -3.133 1.00 . A A . 11 MET HE3 1 1 16 5913 1 1 11 MET HG2 H -1.537 4.054 -1.002 1.00 . A A . 11 MET HG2 1 1 16 5914 1 1 11 MET HG3 H -0.657 4.101 -2.523 1.00 . A A . 11 MET HG3 1 1 16 5915 1 1 11 MET N N -2.886 5.864 -0.083 1.00 . A A . 11 MET N 1 1 16 5916 1 1 11 MET O O -3.373 8.819 -1.885 1.00 . A A . 11 MET O 1 1 16 5917 1 1 11 MET SD S 0.278 5.613 -0.923 1.00 . A A . 11 MET SD 1 1 16 5918 1 1 12 ASN C C -5.881 9.315 -1.783 1.00 . A A . 12 ASN C 1 1 16 5919 1 1 12 ASN CA C -5.854 7.961 -2.499 1.00 . A A . 12 ASN CA 1 1 16 5920 1 1 12 ASN CB C -7.136 7.181 -2.207 1.00 . A A . 12 ASN CB 1 1 16 5921 1 1 12 ASN CG C -8.312 7.860 -2.910 1.00 . A A . 12 ASN CG 1 1 16 5922 1 1 12 ASN H H -4.871 6.142 -1.865 1.00 . A A . 12 ASN H 1 1 16 5923 1 1 12 ASN HA H -5.752 8.106 -3.562 1.00 . A A . 12 ASN HA 1 1 16 5924 1 1 12 ASN HB2 H -7.033 6.169 -2.568 1.00 . A A . 12 ASN HB2 1 1 16 5925 1 1 12 ASN HB3 H -7.316 7.169 -1.143 1.00 . A A . 12 ASN HB3 1 1 16 5926 1 1 12 ASN HD21 H -8.361 9.391 -1.648 1.00 . A A . 12 ASN HD21 1 1 16 5927 1 1 12 ASN HD22 H -9.522 9.433 -2.886 1.00 . A A . 12 ASN HD22 1 1 16 5928 1 1 12 ASN N N -4.737 7.104 -1.987 1.00 . A A . 12 ASN N 1 1 16 5929 1 1 12 ASN ND2 N -8.770 8.988 -2.443 1.00 . A A . 12 ASN ND2 1 1 16 5930 1 1 12 ASN O O -6.326 10.305 -2.326 1.00 . A A . 12 ASN O 1 1 16 5931 1 1 12 ASN OD1 O -8.817 7.359 -3.894 1.00 . A A . 12 ASN OD1 1 1 16 5932 1 1 13 SER C C -4.753 10.475 1.543 1.00 . A A . 13 SER C 1 1 16 5933 1 1 13 SER CA C -5.400 10.657 0.169 1.00 . A A . 13 SER CA 1 1 16 5934 1 1 13 SER CB C -6.871 11.044 0.310 1.00 . A A . 13 SER CB 1 1 16 5935 1 1 13 SER H H -5.045 8.567 -0.152 1.00 . A A . 13 SER H 1 1 16 5936 1 1 13 SER HA H -4.875 11.401 -0.397 1.00 . A A . 13 SER HA 1 1 16 5937 1 1 13 SER HB2 H -6.980 11.767 1.101 1.00 . A A . 13 SER HB2 1 1 16 5938 1 1 13 SER HB3 H -7.219 11.476 -0.619 1.00 . A A . 13 SER HB3 1 1 16 5939 1 1 13 SER HG H -8.544 10.054 0.363 1.00 . A A . 13 SER HG 1 1 16 5940 1 1 13 SER N N -5.404 9.368 -0.571 1.00 . A A . 13 SER N 1 1 16 5941 1 1 13 SER O O -5.322 10.814 2.561 1.00 . A A . 13 SER O 1 1 16 5942 1 1 13 SER OG O -7.635 9.888 0.625 1.00 . A A . 13 SER OG 1 1 16 5943 1 1 14 GLY C C -1.495 9.113 2.598 1.00 . A A . 14 GLY C 1 1 16 5944 1 1 14 GLY CA C -2.872 9.723 2.861 1.00 . A A . 14 GLY CA 1 1 16 5945 1 1 14 GLY H H -3.133 9.672 0.747 1.00 . A A . 14 GLY H 1 1 16 5946 1 1 14 GLY HA2 H -2.760 10.669 3.364 1.00 . A A . 14 GLY HA2 1 1 16 5947 1 1 14 GLY HA3 H -3.450 9.049 3.469 1.00 . A A . 14 GLY HA3 1 1 16 5948 1 1 14 GLY N N -3.567 9.937 1.573 1.00 . A A . 14 GLY N 1 1 16 5949 1 1 14 GLY O O -0.982 8.344 3.387 1.00 . A A . 14 GLY O 1 1 16 5950 1 1 15 GLY C C 1.523 9.868 1.679 1.00 . A A . 15 GLY C 1 1 16 5951 1 1 15 GLY CA C 0.455 8.902 1.174 1.00 . A A . 15 GLY CA 1 1 16 5952 1 1 15 GLY H H -1.321 10.078 0.874 1.00 . A A . 15 GLY H 1 1 16 5953 1 1 15 GLY HA2 H 0.575 7.941 1.657 1.00 . A A . 15 GLY HA2 1 1 16 5954 1 1 15 GLY HA3 H 0.555 8.786 0.104 1.00 . A A . 15 GLY HA3 1 1 16 5955 1 1 15 GLY N N -0.891 9.454 1.492 1.00 . A A . 15 GLY N 1 1 16 5956 1 1 15 GLY O O 2.292 10.416 0.916 1.00 . A A . 15 GLY O 1 1 16 5957 1 1 16 GLY C C 3.921 10.835 2.839 1.00 . A A . 16 GLY C 1 1 16 5958 1 1 16 GLY CA C 2.574 11.020 3.539 1.00 . A A . 16 GLY CA 1 1 16 5959 1 1 16 GLY H H 0.929 9.635 3.556 1.00 . A A . 16 GLY H 1 1 16 5960 1 1 16 GLY HA2 H 2.233 12.036 3.403 1.00 . A A . 16 GLY HA2 1 1 16 5961 1 1 16 GLY HA3 H 2.690 10.817 4.595 1.00 . A A . 16 GLY HA3 1 1 16 5962 1 1 16 GLY N N 1.566 10.085 2.965 1.00 . A A . 16 GLY N 1 1 16 5963 1 1 16 GLY O O 4.720 11.747 2.764 1.00 . A A . 16 GLY O 1 1 16 5964 1 1 17 LEU C C 5.275 9.208 0.141 1.00 . A A . 17 LEU C 1 1 16 5965 1 1 17 LEU CA C 5.491 9.437 1.638 1.00 . A A . 17 LEU CA 1 1 16 5966 1 1 17 LEU CB C 6.144 8.195 2.274 1.00 . A A . 17 LEU CB 1 1 16 5967 1 1 17 LEU CD1 C 4.305 6.529 2.539 1.00 . A A . 17 LEU CD1 1 1 16 5968 1 1 17 LEU CD2 C 6.069 6.741 4.288 1.00 . A A . 17 LEU CD2 1 1 16 5969 1 1 17 LEU CG C 5.217 7.505 3.280 1.00 . A A . 17 LEU CG 1 1 16 5970 1 1 17 LEU H H 3.535 8.934 2.397 1.00 . A A . 17 LEU H 1 1 16 5971 1 1 17 LEU HA H 6.131 10.286 1.790 1.00 . A A . 17 LEU HA 1 1 16 5972 1 1 17 LEU HB2 H 6.397 7.493 1.493 1.00 . A A . 17 LEU HB2 1 1 16 5973 1 1 17 LEU HB3 H 7.051 8.496 2.780 1.00 . A A . 17 LEU HB3 1 1 16 5974 1 1 17 LEU HD11 H 3.873 5.833 3.241 1.00 . A A . 17 LEU HD11 1 1 16 5975 1 1 17 LEU HD12 H 4.883 5.988 1.803 1.00 . A A . 17 LEU HD12 1 1 16 5976 1 1 17 LEU HD13 H 3.518 7.077 2.042 1.00 . A A . 17 LEU HD13 1 1 16 5977 1 1 17 LEU HD21 H 6.522 5.890 3.801 1.00 . A A . 17 LEU HD21 1 1 16 5978 1 1 17 LEU HD22 H 5.447 6.403 5.101 1.00 . A A . 17 LEU HD22 1 1 16 5979 1 1 17 LEU HD23 H 6.841 7.392 4.669 1.00 . A A . 17 LEU HD23 1 1 16 5980 1 1 17 LEU HG H 4.619 8.239 3.799 1.00 . A A . 17 LEU HG 1 1 16 5981 1 1 17 LEU N N 4.186 9.663 2.326 1.00 . A A . 17 LEU N 1 1 16 5982 1 1 17 LEU O O 5.460 10.097 -0.666 1.00 . A A . 17 LEU O 1 1 16 5983 1 1 18 SER C C 3.706 6.572 -1.872 1.00 . A A . 18 SER C 1 1 16 5984 1 1 18 SER CA C 4.694 7.725 -1.685 1.00 . A A . 18 SER CA 1 1 16 5985 1 1 18 SER CB C 6.074 7.313 -2.177 1.00 . A A . 18 SER CB 1 1 16 5986 1 1 18 SER H H 4.774 7.313 0.422 1.00 . A A . 18 SER H 1 1 16 5987 1 1 18 SER HA H 4.361 8.600 -2.212 1.00 . A A . 18 SER HA 1 1 16 5988 1 1 18 SER HB2 H 6.695 7.071 -1.332 1.00 . A A . 18 SER HB2 1 1 16 5989 1 1 18 SER HB3 H 5.981 6.444 -2.812 1.00 . A A . 18 SER HB3 1 1 16 5990 1 1 18 SER HG H 6.530 8.221 -3.838 1.00 . A A . 18 SER HG 1 1 16 5991 1 1 18 SER N N 4.901 8.017 -0.239 1.00 . A A . 18 SER N 1 1 16 5992 1 1 18 SER O O 3.015 6.168 -0.958 1.00 . A A . 18 SER O 1 1 16 5993 1 1 18 SER OG O 6.658 8.389 -2.901 1.00 . A A . 18 SER OG 1 1 16 5994 1 1 19 PHE C C 3.464 3.593 -3.087 1.00 . A A . 19 PHE C 1 1 16 5995 1 1 19 PHE CA C 2.735 4.899 -3.344 1.00 . A A . 19 PHE CA 1 1 16 5996 1 1 19 PHE CB C 2.396 5.039 -4.830 1.00 . A A . 19 PHE CB 1 1 16 5997 1 1 19 PHE CD1 C 0.741 3.149 -5.081 1.00 . A A . 19 PHE CD1 1 1 16 5998 1 1 19 PHE CD2 C 2.867 3.007 -6.238 1.00 . A A . 19 PHE CD2 1 1 16 5999 1 1 19 PHE CE1 C 0.374 1.904 -5.605 1.00 . A A . 19 PHE CE1 1 1 16 6000 1 1 19 PHE CE2 C 2.501 1.764 -6.762 1.00 . A A . 19 PHE CE2 1 1 16 6001 1 1 19 PHE CG C 1.988 3.699 -5.398 1.00 . A A . 19 PHE CG 1 1 16 6002 1 1 19 PHE CZ C 1.254 1.211 -6.447 1.00 . A A . 19 PHE CZ 1 1 16 6003 1 1 19 PHE H H 4.234 6.384 -3.769 1.00 . A A . 19 PHE H 1 1 16 6004 1 1 19 PHE HA H 1.846 4.955 -2.745 1.00 . A A . 19 PHE HA 1 1 16 6005 1 1 19 PHE HB2 H 1.589 5.738 -4.946 1.00 . A A . 19 PHE HB2 1 1 16 6006 1 1 19 PHE HB3 H 3.265 5.402 -5.362 1.00 . A A . 19 PHE HB3 1 1 16 6007 1 1 19 PHE HD1 H 0.062 3.683 -4.432 1.00 . A A . 19 PHE HD1 1 1 16 6008 1 1 19 PHE HD2 H 3.829 3.432 -6.480 1.00 . A A . 19 PHE HD2 1 1 16 6009 1 1 19 PHE HE1 H -0.586 1.478 -5.361 1.00 . A A . 19 PHE HE1 1 1 16 6010 1 1 19 PHE HE2 H 3.182 1.231 -7.410 1.00 . A A . 19 PHE HE2 1 1 16 6011 1 1 19 PHE HZ H 0.971 0.251 -6.852 1.00 . A A . 19 PHE HZ 1 1 16 6012 1 1 19 PHE N N 3.654 6.038 -3.059 1.00 . A A . 19 PHE N 1 1 16 6013 1 1 19 PHE O O 3.061 2.789 -2.268 1.00 . A A . 19 PHE O 1 1 16 6014 1 1 20 ILE C C 5.387 1.801 -2.121 1.00 . A A . 20 ILE C 1 1 16 6015 1 1 20 ILE CA C 5.315 2.133 -3.608 1.00 . A A . 20 ILE CA 1 1 16 6016 1 1 20 ILE CB C 6.699 2.435 -4.178 1.00 . A A . 20 ILE CB 1 1 16 6017 1 1 20 ILE CD1 C 8.638 3.997 -4.073 1.00 . A A . 20 ILE CD1 1 1 16 6018 1 1 20 ILE CG1 C 7.184 3.786 -3.654 1.00 . A A . 20 ILE CG1 1 1 16 6019 1 1 20 ILE CG2 C 6.624 2.483 -5.706 1.00 . A A . 20 ILE CG2 1 1 16 6020 1 1 20 ILE H H 4.820 4.060 -4.442 1.00 . A A . 20 ILE H 1 1 16 6021 1 1 20 ILE HA H 4.856 1.324 -4.148 1.00 . A A . 20 ILE HA 1 1 16 6022 1 1 20 ILE HB H 7.386 1.662 -3.876 1.00 . A A . 20 ILE HB 1 1 16 6023 1 1 20 ILE HD11 H 8.669 4.606 -4.964 1.00 . A A . 20 ILE HD11 1 1 16 6024 1 1 20 ILE HD12 H 9.097 3.040 -4.273 1.00 . A A . 20 ILE HD12 1 1 16 6025 1 1 20 ILE HD13 H 9.173 4.495 -3.277 1.00 . A A . 20 ILE HD13 1 1 16 6026 1 1 20 ILE HG12 H 6.570 4.573 -4.067 1.00 . A A . 20 ILE HG12 1 1 16 6027 1 1 20 ILE HG13 H 7.114 3.801 -2.577 1.00 . A A . 20 ILE HG13 1 1 16 6028 1 1 20 ILE HG21 H 6.280 1.529 -6.080 1.00 . A A . 20 ILE HG21 1 1 16 6029 1 1 20 ILE HG22 H 7.604 2.696 -6.108 1.00 . A A . 20 ILE HG22 1 1 16 6030 1 1 20 ILE HG23 H 5.934 3.257 -6.008 1.00 . A A . 20 ILE HG23 1 1 16 6031 1 1 20 ILE N N 4.534 3.386 -3.791 1.00 . A A . 20 ILE N 1 1 16 6032 1 1 20 ILE O O 5.437 0.651 -1.730 1.00 . A A . 20 ILE O 1 1 16 6033 1 1 21 GLN C C 4.112 1.735 0.520 1.00 . A A . 21 GLN C 1 1 16 6034 1 1 21 GLN CA C 5.364 2.538 0.174 1.00 . A A . 21 GLN CA 1 1 16 6035 1 1 21 GLN CB C 5.328 3.915 0.836 1.00 . A A . 21 GLN CB 1 1 16 6036 1 1 21 GLN CD C 7.713 3.539 1.469 1.00 . A A . 21 GLN CD 1 1 16 6037 1 1 21 GLN CG C 6.732 4.521 0.833 1.00 . A A . 21 GLN CG 1 1 16 6038 1 1 21 GLN H H 5.275 3.720 -1.620 1.00 . A A . 21 GLN H 1 1 16 6039 1 1 21 GLN HA H 6.256 2.003 0.458 1.00 . A A . 21 GLN HA 1 1 16 6040 1 1 21 GLN HB2 H 4.655 4.560 0.287 1.00 . A A . 21 GLN HB2 1 1 16 6041 1 1 21 GLN HB3 H 4.982 3.818 1.854 1.00 . A A . 21 GLN HB3 1 1 16 6042 1 1 21 GLN HE21 H 8.598 3.094 -0.251 1.00 . A A . 21 GLN HE21 1 1 16 6043 1 1 21 GLN HE22 H 9.215 2.292 1.112 1.00 . A A . 21 GLN HE22 1 1 16 6044 1 1 21 GLN HG2 H 7.034 4.725 -0.184 1.00 . A A . 21 GLN HG2 1 1 16 6045 1 1 21 GLN HG3 H 6.729 5.442 1.399 1.00 . A A . 21 GLN HG3 1 1 16 6046 1 1 21 GLN N N 5.347 2.802 -1.285 1.00 . A A . 21 GLN N 1 1 16 6047 1 1 21 GLN NE2 N 8.581 2.923 0.714 1.00 . A A . 21 GLN NE2 1 1 16 6048 1 1 21 GLN O O 4.140 0.530 0.578 1.00 . A A . 21 GLN O 1 1 16 6049 1 1 21 GLN OE1 O 7.692 3.328 2.666 1.00 . A A . 21 GLN OE1 1 1 16 6050 1 1 22 CYS C C 1.530 0.550 -0.017 1.00 . A A . 22 CYS C 1 1 16 6051 1 1 22 CYS CA C 1.752 1.649 1.028 1.00 . A A . 22 CYS CA 1 1 16 6052 1 1 22 CYS CB C 0.634 2.695 0.949 1.00 . A A . 22 CYS CB 1 1 16 6053 1 1 22 CYS H H 2.990 3.364 0.646 1.00 . A A . 22 CYS H 1 1 16 6054 1 1 22 CYS HA H 1.801 1.224 2.017 1.00 . A A . 22 CYS HA 1 1 16 6055 1 1 22 CYS HB2 H 0.948 3.508 0.309 1.00 . A A . 22 CYS HB2 1 1 16 6056 1 1 22 CYS HB3 H -0.255 2.236 0.537 1.00 . A A . 22 CYS HB3 1 1 16 6057 1 1 22 CYS N N 3.005 2.392 0.718 1.00 . A A . 22 CYS N 1 1 16 6058 1 1 22 CYS O O 0.971 -0.487 0.275 1.00 . A A . 22 CYS O 1 1 16 6059 1 1 22 CYS SG S 0.266 3.339 2.603 1.00 . A A . 22 CYS SG 1 1 16 6060 1 1 23 LYS C C 2.439 -1.584 -1.893 1.00 . A A . 23 LYS C 1 1 16 6061 1 1 23 LYS CA C 1.762 -0.266 -2.288 1.00 . A A . 23 LYS CA 1 1 16 6062 1 1 23 LYS CB C 2.425 0.323 -3.530 1.00 . A A . 23 LYS CB 1 1 16 6063 1 1 23 LYS CD C 1.308 -1.540 -4.755 1.00 . A A . 23 LYS CD 1 1 16 6064 1 1 23 LYS CE C 1.358 -2.346 -6.055 1.00 . A A . 23 LYS CE 1 1 16 6065 1 1 23 LYS CG C 2.617 -0.771 -4.580 1.00 . A A . 23 LYS CG 1 1 16 6066 1 1 23 LYS H H 2.408 1.617 -1.464 1.00 . A A . 23 LYS H 1 1 16 6067 1 1 23 LYS HA H 0.714 -0.422 -2.472 1.00 . A A . 23 LYS HA 1 1 16 6068 1 1 23 LYS HB2 H 1.800 1.106 -3.934 1.00 . A A . 23 LYS HB2 1 1 16 6069 1 1 23 LYS HB3 H 3.385 0.732 -3.260 1.00 . A A . 23 LYS HB3 1 1 16 6070 1 1 23 LYS HD2 H 1.171 -2.211 -3.919 1.00 . A A . 23 LYS HD2 1 1 16 6071 1 1 23 LYS HD3 H 0.485 -0.843 -4.795 1.00 . A A . 23 LYS HD3 1 1 16 6072 1 1 23 LYS HE2 H 0.370 -2.706 -6.311 1.00 . A A . 23 LYS HE2 1 1 16 6073 1 1 23 LYS HE3 H 1.760 -1.745 -6.855 1.00 . A A . 23 LYS HE3 1 1 16 6074 1 1 23 LYS HG2 H 2.900 -0.322 -5.521 1.00 . A A . 23 LYS HG2 1 1 16 6075 1 1 23 LYS HG3 H 3.391 -1.450 -4.257 1.00 . A A . 23 LYS HG3 1 1 16 6076 1 1 23 LYS HZ1 H 2.138 -3.796 -4.782 1.00 . A A . 23 LYS HZ1 1 1 16 6077 1 1 23 LYS HZ2 H 3.256 -3.186 -5.905 1.00 . A A . 23 LYS HZ2 1 1 16 6078 1 1 23 LYS HZ3 H 2.054 -4.276 -6.406 1.00 . A A . 23 LYS HZ3 1 1 16 6079 1 1 23 LYS N N 1.959 0.769 -1.236 1.00 . A A . 23 LYS N 1 1 16 6080 1 1 23 LYS NZ N 2.270 -3.487 -5.765 1.00 . A A . 23 LYS NZ 1 1 16 6081 1 1 23 LYS O O 1.854 -2.645 -1.984 1.00 . A A . 23 LYS O 1 1 16 6082 1 1 24 THR C C 4.609 -2.843 0.431 1.00 . A A . 24 THR C 1 1 16 6083 1 1 24 THR CA C 4.385 -2.780 -1.082 1.00 . A A . 24 THR CA 1 1 16 6084 1 1 24 THR CB C 5.729 -2.720 -1.817 1.00 . A A . 24 THR CB 1 1 16 6085 1 1 24 THR CG2 C 5.837 -3.901 -2.783 1.00 . A A . 24 THR CG2 1 1 16 6086 1 1 24 THR H H 4.124 -0.661 -1.410 1.00 . A A . 24 THR H 1 1 16 6087 1 1 24 THR HA H 3.829 -3.643 -1.413 1.00 . A A . 24 THR HA 1 1 16 6088 1 1 24 THR HB H 6.533 -2.774 -1.099 1.00 . A A . 24 THR HB 1 1 16 6089 1 1 24 THR HG1 H 6.754 -1.272 -2.619 1.00 . A A . 24 THR HG1 1 1 16 6090 1 1 24 THR HG21 H 5.543 -3.584 -3.773 1.00 . A A . 24 THR HG21 1 1 16 6091 1 1 24 THR HG22 H 5.187 -4.697 -2.453 1.00 . A A . 24 THR HG22 1 1 16 6092 1 1 24 THR HG23 H 6.856 -4.256 -2.806 1.00 . A A . 24 THR HG23 1 1 16 6093 1 1 24 THR N N 3.669 -1.525 -1.467 1.00 . A A . 24 THR N 1 1 16 6094 1 1 24 THR O O 4.834 -3.900 0.989 1.00 . A A . 24 THR O 1 1 16 6095 1 1 24 THR OG1 O 5.824 -1.501 -2.542 1.00 . A A . 24 THR OG1 1 1 16 6096 1 1 25 MET C C 3.673 -2.551 3.247 1.00 . A A . 25 MET C 1 1 16 6097 1 1 25 MET CA C 4.766 -1.733 2.572 1.00 . A A . 25 MET CA 1 1 16 6098 1 1 25 MET CB C 4.681 -0.269 2.998 1.00 . A A . 25 MET CB 1 1 16 6099 1 1 25 MET CE C 6.434 1.049 5.057 1.00 . A A . 25 MET CE 1 1 16 6100 1 1 25 MET CG C 5.894 0.491 2.457 1.00 . A A . 25 MET CG 1 1 16 6101 1 1 25 MET H H 4.373 -0.884 0.646 1.00 . A A . 25 MET H 1 1 16 6102 1 1 25 MET HA H 5.734 -2.128 2.805 1.00 . A A . 25 MET HA 1 1 16 6103 1 1 25 MET HB2 H 3.775 0.169 2.604 1.00 . A A . 25 MET HB2 1 1 16 6104 1 1 25 MET HB3 H 4.671 -0.207 4.075 1.00 . A A . 25 MET HB3 1 1 16 6105 1 1 25 MET HE1 H 6.991 1.909 5.404 1.00 . A A . 25 MET HE1 1 1 16 6106 1 1 25 MET HE2 H 6.380 0.317 5.846 1.00 . A A . 25 MET HE2 1 1 16 6107 1 1 25 MET HE3 H 5.434 1.349 4.777 1.00 . A A . 25 MET HE3 1 1 16 6108 1 1 25 MET HG2 H 6.181 0.079 1.502 1.00 . A A . 25 MET HG2 1 1 16 6109 1 1 25 MET HG3 H 5.642 1.534 2.339 1.00 . A A . 25 MET HG3 1 1 16 6110 1 1 25 MET N N 4.554 -1.727 1.104 1.00 . A A . 25 MET N 1 1 16 6111 1 1 25 MET O O 3.921 -3.599 3.811 1.00 . A A . 25 MET O 1 1 16 6112 1 1 25 MET SD S 7.271 0.332 3.621 1.00 . A A . 25 MET SD 1 1 16 6113 1 1 26 CYS C C 1.175 -4.188 3.129 1.00 . A A . 26 CYS C 1 1 16 6114 1 1 26 CYS CA C 1.345 -2.836 3.820 1.00 . A A . 26 CYS CA 1 1 16 6115 1 1 26 CYS CB C 0.107 -1.962 3.619 1.00 . A A . 26 CYS CB 1 1 16 6116 1 1 26 CYS H H 2.289 -1.233 2.721 1.00 . A A . 26 CYS H 1 1 16 6117 1 1 26 CYS HA H 1.534 -2.977 4.871 1.00 . A A . 26 CYS HA 1 1 16 6118 1 1 26 CYS HB2 H 0.151 -1.116 4.288 1.00 . A A . 26 CYS HB2 1 1 16 6119 1 1 26 CYS HB3 H 0.076 -1.611 2.597 1.00 . A A . 26 CYS HB3 1 1 16 6120 1 1 26 CYS N N 2.462 -2.081 3.188 1.00 . A A . 26 CYS N 1 1 16 6121 1 1 26 CYS O O 0.599 -4.288 2.064 1.00 . A A . 26 CYS O 1 1 16 6122 1 1 26 CYS SG S -1.381 -2.931 3.969 1.00 . A A . 26 CYS SG 1 1 16 6123 1 1 27 TYR C C 0.925 -7.557 4.093 1.00 . A A . 27 TYR C 1 1 16 6124 1 1 27 TYR CA C 1.567 -6.575 3.110 1.00 . A A . 27 TYR CA 1 1 16 6125 1 1 27 TYR CB C 3.009 -6.970 2.816 1.00 . A A . 27 TYR CB 1 1 16 6126 1 1 27 TYR CD1 C 3.220 -7.732 0.422 1.00 . A A . 27 TYR CD1 1 1 16 6127 1 1 27 TYR CD2 C 2.880 -9.398 2.151 1.00 . A A . 27 TYR CD2 1 1 16 6128 1 1 27 TYR CE1 C 3.248 -8.741 -0.546 1.00 . A A . 27 TYR CE1 1 1 16 6129 1 1 27 TYR CE2 C 2.907 -10.408 1.182 1.00 . A A . 27 TYR CE2 1 1 16 6130 1 1 27 TYR CG C 3.036 -8.059 1.771 1.00 . A A . 27 TYR CG 1 1 16 6131 1 1 27 TYR CZ C 3.091 -10.080 -0.167 1.00 . A A . 27 TYR CZ 1 1 16 6132 1 1 27 TYR H H 2.150 -5.119 4.580 1.00 . A A . 27 TYR H 1 1 16 6133 1 1 27 TYR HA H 1.001 -6.527 2.194 1.00 . A A . 27 TYR HA 1 1 16 6134 1 1 27 TYR HB2 H 3.546 -6.104 2.451 1.00 . A A . 27 TYR HB2 1 1 16 6135 1 1 27 TYR HB3 H 3.473 -7.326 3.724 1.00 . A A . 27 TYR HB3 1 1 16 6136 1 1 27 TYR HD1 H 3.341 -6.699 0.130 1.00 . A A . 27 TYR HD1 1 1 16 6137 1 1 27 TYR HD2 H 2.737 -9.651 3.192 1.00 . A A . 27 TYR HD2 1 1 16 6138 1 1 27 TYR HE1 H 3.391 -8.487 -1.587 1.00 . A A . 27 TYR HE1 1 1 16 6139 1 1 27 TYR HE2 H 2.786 -11.441 1.475 1.00 . A A . 27 TYR HE2 1 1 16 6140 1 1 27 TYR HH H 2.752 -11.871 -0.733 1.00 . A A . 27 TYR HH 1 1 16 6141 1 1 27 TYR N N 1.682 -5.227 3.726 1.00 . A A . 27 TYR N 1 1 16 6142 1 1 27 TYR O O 1.404 -7.642 5.213 1.00 . A A . 27 TYR O 1 1 16 6143 1 1 27 TYR OXT O -0.033 -8.208 3.710 1.00 . A A . 27 TYR OXT 1 1 16 6144 1 1 27 TYR OH O 3.120 -11.075 -1.123 1.00 . A A . 27 TYR OH 1 1 17 6145 1 1 1 GLY C C -4.678 -7.673 3.670 1.00 . A A . 1 GLY C 1 1 17 6146 1 1 1 GLY CA C -6.094 -8.162 3.360 1.00 . A A . 1 GLY CA 1 1 17 6147 1 1 1 GLY H1 H -7.767 -7.540 4.432 1.00 . A A . 1 GLY H1 1 1 17 6148 1 1 1 GLY H2 H -7.579 -6.767 2.931 1.00 . A A . 1 GLY H2 1 1 17 6149 1 1 1 GLY H3 H -6.584 -6.341 4.241 1.00 . A A . 1 GLY H3 1 1 17 6150 1 1 1 GLY HA2 H -6.288 -9.078 3.901 1.00 . A A . 1 GLY HA2 1 1 17 6151 1 1 1 GLY HA3 H -6.185 -8.345 2.300 1.00 . A A . 1 GLY HA3 1 1 17 6152 1 1 1 GLY N N -7.081 -7.124 3.772 1.00 . A A . 1 GLY N 1 1 17 6153 1 1 1 GLY O O -3.893 -8.366 4.286 1.00 . A A . 1 GLY O 1 1 17 6154 1 1 2 GLY C C -2.649 -4.851 2.510 1.00 . A A . 2 GLY C 1 1 17 6155 1 1 2 GLY CA C -2.981 -5.951 3.520 1.00 . A A . 2 GLY CA 1 1 17 6156 1 1 2 GLY H H -4.994 -5.941 2.752 1.00 . A A . 2 GLY H 1 1 17 6157 1 1 2 GLY HA2 H -2.946 -5.545 4.520 1.00 . A A . 2 GLY HA2 1 1 17 6158 1 1 2 GLY HA3 H -2.258 -6.748 3.428 1.00 . A A . 2 GLY HA3 1 1 17 6159 1 1 2 GLY N N -4.346 -6.484 3.248 1.00 . A A . 2 GLY N 1 1 17 6160 1 1 2 GLY O O -2.572 -3.687 2.848 1.00 . A A . 2 GLY O 1 1 17 6161 1 1 3 LEU C C -3.408 -3.549 -0.298 1.00 . A A . 3 LEU C 1 1 17 6162 1 1 3 LEU CA C -2.124 -4.185 0.237 1.00 . A A . 3 LEU CA 1 1 17 6163 1 1 3 LEU CB C -1.405 -4.954 -0.872 1.00 . A A . 3 LEU CB 1 1 17 6164 1 1 3 LEU CD1 C 0.486 -6.516 -1.358 1.00 . A A . 3 LEU CD1 1 1 17 6165 1 1 3 LEU CD2 C 0.523 -5.112 0.708 1.00 . A A . 3 LEU CD2 1 1 17 6166 1 1 3 LEU CG C -0.372 -5.898 -0.252 1.00 . A A . 3 LEU CG 1 1 17 6167 1 1 3 LEU H H -2.518 -6.155 1.018 1.00 . A A . 3 LEU H 1 1 17 6168 1 1 3 LEU HA H -1.473 -3.432 0.646 1.00 . A A . 3 LEU HA 1 1 17 6169 1 1 3 LEU HB2 H -2.125 -5.528 -1.436 1.00 . A A . 3 LEU HB2 1 1 17 6170 1 1 3 LEU HB3 H -0.906 -4.258 -1.528 1.00 . A A . 3 LEU HB3 1 1 17 6171 1 1 3 LEU HD11 H 0.058 -6.280 -2.320 1.00 . A A . 3 LEU HD11 1 1 17 6172 1 1 3 LEU HD12 H 0.518 -7.589 -1.231 1.00 . A A . 3 LEU HD12 1 1 17 6173 1 1 3 LEU HD13 H 1.488 -6.117 -1.301 1.00 . A A . 3 LEU HD13 1 1 17 6174 1 1 3 LEU HD21 H -0.037 -4.858 1.596 1.00 . A A . 3 LEU HD21 1 1 17 6175 1 1 3 LEU HD22 H 0.863 -4.208 0.225 1.00 . A A . 3 LEU HD22 1 1 17 6176 1 1 3 LEU HD23 H 1.376 -5.716 0.982 1.00 . A A . 3 LEU HD23 1 1 17 6177 1 1 3 LEU HG H -0.881 -6.683 0.289 1.00 . A A . 3 LEU HG 1 1 17 6178 1 1 3 LEU N N -2.451 -5.211 1.270 1.00 . A A . 3 LEU N 1 1 17 6179 1 1 3 LEU O O -3.499 -2.349 -0.462 1.00 . A A . 3 LEU O 1 1 17 6180 1 1 4 GLY C C -6.058 -2.543 -0.326 1.00 . A A . 4 GLY C 1 1 17 6181 1 1 4 GLY CA C -5.677 -3.805 -1.100 1.00 . A A . 4 GLY CA 1 1 17 6182 1 1 4 GLY H H -4.296 -5.312 -0.435 1.00 . A A . 4 GLY H 1 1 17 6183 1 1 4 GLY HA2 H -5.559 -3.564 -2.143 1.00 . A A . 4 GLY HA2 1 1 17 6184 1 1 4 GLY HA3 H -6.458 -4.544 -0.984 1.00 . A A . 4 GLY HA3 1 1 17 6185 1 1 4 GLY N N -4.397 -4.350 -0.573 1.00 . A A . 4 GLY N 1 1 17 6186 1 1 4 GLY O O -6.033 -1.448 -0.849 1.00 . A A . 4 GLY O 1 1 17 6187 1 1 5 ARG C C -5.624 -0.538 1.861 1.00 . A A . 5 ARG C 1 1 17 6188 1 1 5 ARG CA C -6.800 -1.504 1.733 1.00 . A A . 5 ARG CA 1 1 17 6189 1 1 5 ARG CB C -7.195 -2.072 3.097 1.00 . A A . 5 ARG CB 1 1 17 6190 1 1 5 ARG CD C -9.485 -2.194 2.081 1.00 . A A . 5 ARG CD 1 1 17 6191 1 1 5 ARG CG C -8.689 -1.833 3.341 1.00 . A A . 5 ARG CG 1 1 17 6192 1 1 5 ARG CZ C -9.892 -0.740 0.176 1.00 . A A . 5 ARG CZ 1 1 17 6193 1 1 5 ARG H H -6.427 -3.586 1.316 1.00 . A A . 5 ARG H 1 1 17 6194 1 1 5 ARG HA H -7.642 -1.004 1.289 1.00 . A A . 5 ARG HA 1 1 17 6195 1 1 5 ARG HB2 H -6.991 -3.132 3.118 1.00 . A A . 5 ARG HB2 1 1 17 6196 1 1 5 ARG HB3 H -6.623 -1.580 3.871 1.00 . A A . 5 ARG HB3 1 1 17 6197 1 1 5 ARG HD2 H -8.869 -2.765 1.399 1.00 . A A . 5 ARG HD2 1 1 17 6198 1 1 5 ARG HD3 H -10.373 -2.747 2.342 1.00 . A A . 5 ARG HD3 1 1 17 6199 1 1 5 ARG HE H -10.079 -0.124 2.055 1.00 . A A . 5 ARG HE 1 1 17 6200 1 1 5 ARG HG2 H -9.021 -2.447 4.164 1.00 . A A . 5 ARG HG2 1 1 17 6201 1 1 5 ARG HG3 H -8.852 -0.792 3.580 1.00 . A A . 5 ARG HG3 1 1 17 6202 1 1 5 ARG HH11 H -11.477 0.483 0.202 1.00 . A A . 5 ARG HH11 1 1 17 6203 1 1 5 ARG HH12 H -10.831 0.126 -1.365 1.00 . A A . 5 ARG HH12 1 1 17 6204 1 1 5 ARG HH21 H -8.310 -1.923 -0.163 1.00 . A A . 5 ARG HH21 1 1 17 6205 1 1 5 ARG HH22 H -9.042 -1.230 -1.569 1.00 . A A . 5 ARG HH22 1 1 17 6206 1 1 5 ARG N N -6.413 -2.692 0.919 1.00 . A A . 5 ARG N 1 1 17 6207 1 1 5 ARG NE N -9.857 -0.882 1.476 1.00 . A A . 5 ARG NE 1 1 17 6208 1 1 5 ARG NH1 N -10.805 0.014 -0.372 1.00 . A A . 5 ARG NH1 1 1 17 6209 1 1 5 ARG NH2 N -9.013 -1.345 -0.577 1.00 . A A . 5 ARG NH2 1 1 17 6210 1 1 5 ARG O O -5.793 0.665 1.833 1.00 . A A . 5 ARG O 1 1 17 6211 1 1 6 CYS C C -3.364 0.960 1.054 1.00 . A A . 6 CYS C 1 1 17 6212 1 1 6 CYS CA C -3.251 -0.146 2.101 1.00 . A A . 6 CYS CA 1 1 17 6213 1 1 6 CYS CB C -2.040 -1.033 1.811 1.00 . A A . 6 CYS CB 1 1 17 6214 1 1 6 CYS H H -4.313 -2.020 1.999 1.00 . A A . 6 CYS H 1 1 17 6215 1 1 6 CYS HA H -3.181 0.271 3.092 1.00 . A A . 6 CYS HA 1 1 17 6216 1 1 6 CYS HB2 H -2.372 -1.962 1.371 1.00 . A A . 6 CYS HB2 1 1 17 6217 1 1 6 CYS HB3 H -1.380 -0.525 1.122 1.00 . A A . 6 CYS HB3 1 1 17 6218 1 1 6 CYS N N -4.431 -1.049 1.988 1.00 . A A . 6 CYS N 1 1 17 6219 1 1 6 CYS O O -3.818 2.053 1.332 1.00 . A A . 6 CYS O 1 1 17 6220 1 1 6 CYS SG S -1.157 -1.375 3.353 1.00 . A A . 6 CYS SG 1 1 17 6221 1 1 7 ILE C C -4.389 2.436 -1.145 1.00 . A A . 7 ILE C 1 1 17 6222 1 1 7 ILE CA C -3.059 1.684 -1.235 1.00 . A A . 7 ILE CA 1 1 17 6223 1 1 7 ILE CB C -2.975 0.846 -2.505 1.00 . A A . 7 ILE CB 1 1 17 6224 1 1 7 ILE CD1 C -1.550 -1.188 -2.288 1.00 . A A . 7 ILE CD1 1 1 17 6225 1 1 7 ILE CG1 C -1.561 0.304 -2.627 1.00 . A A . 7 ILE CG1 1 1 17 6226 1 1 7 ILE CG2 C -3.315 1.693 -3.730 1.00 . A A . 7 ILE CG2 1 1 17 6227 1 1 7 ILE H H -2.614 -0.218 -0.354 1.00 . A A . 7 ILE H 1 1 17 6228 1 1 7 ILE HA H -2.231 2.371 -1.185 1.00 . A A . 7 ILE HA 1 1 17 6229 1 1 7 ILE HB H -3.660 0.023 -2.434 1.00 . A A . 7 ILE HB 1 1 17 6230 1 1 7 ILE HD11 H -2.565 -1.536 -2.167 1.00 . A A . 7 ILE HD11 1 1 17 6231 1 1 7 ILE HD12 H -1.003 -1.345 -1.370 1.00 . A A . 7 ILE HD12 1 1 17 6232 1 1 7 ILE HD13 H -1.074 -1.735 -3.089 1.00 . A A . 7 ILE HD13 1 1 17 6233 1 1 7 ILE HG12 H -1.206 0.449 -3.631 1.00 . A A . 7 ILE HG12 1 1 17 6234 1 1 7 ILE HG13 H -0.927 0.831 -1.937 1.00 . A A . 7 ILE HG13 1 1 17 6235 1 1 7 ILE HG21 H -2.443 1.779 -4.362 1.00 . A A . 7 ILE HG21 1 1 17 6236 1 1 7 ILE HG22 H -3.628 2.674 -3.414 1.00 . A A . 7 ILE HG22 1 1 17 6237 1 1 7 ILE HG23 H -4.113 1.221 -4.283 1.00 . A A . 7 ILE HG23 1 1 17 6238 1 1 7 ILE N N -2.968 0.674 -0.152 1.00 . A A . 7 ILE N 1 1 17 6239 1 1 7 ILE O O -4.424 3.648 -1.137 1.00 . A A . 7 ILE O 1 1 17 6240 1 1 8 TYR C C -6.706 3.588 0.017 1.00 . A A . 8 TYR C 1 1 17 6241 1 1 8 TYR CA C -6.800 2.422 -0.969 1.00 . A A . 8 TYR CA 1 1 17 6242 1 1 8 TYR CB C -7.770 1.365 -0.447 1.00 . A A . 8 TYR CB 1 1 17 6243 1 1 8 TYR CD1 C -9.444 2.216 1.235 1.00 . A A . 8 TYR CD1 1 1 17 6244 1 1 8 TYR CD2 C -9.938 2.452 -1.128 1.00 . A A . 8 TYR CD2 1 1 17 6245 1 1 8 TYR CE1 C -10.660 2.832 1.550 1.00 . A A . 8 TYR CE1 1 1 17 6246 1 1 8 TYR CE2 C -11.155 3.068 -0.812 1.00 . A A . 8 TYR CE2 1 1 17 6247 1 1 8 TYR CG C -9.083 2.026 -0.104 1.00 . A A . 8 TYR CG 1 1 17 6248 1 1 8 TYR CZ C -11.517 3.258 0.526 1.00 . A A . 8 TYR CZ 1 1 17 6249 1 1 8 TYR H H -5.439 0.752 -1.068 1.00 . A A . 8 TYR H 1 1 17 6250 1 1 8 TYR HA H -7.118 2.772 -1.935 1.00 . A A . 8 TYR HA 1 1 17 6251 1 1 8 TYR HB2 H -7.931 0.615 -1.207 1.00 . A A . 8 TYR HB2 1 1 17 6252 1 1 8 TYR HB3 H -7.359 0.903 0.438 1.00 . A A . 8 TYR HB3 1 1 17 6253 1 1 8 TYR HD1 H -8.785 1.888 2.024 1.00 . A A . 8 TYR HD1 1 1 17 6254 1 1 8 TYR HD2 H -9.658 2.306 -2.161 1.00 . A A . 8 TYR HD2 1 1 17 6255 1 1 8 TYR HE1 H -10.941 2.979 2.583 1.00 . A A . 8 TYR HE1 1 1 17 6256 1 1 8 TYR HE2 H -11.814 3.397 -1.602 1.00 . A A . 8 TYR HE2 1 1 17 6257 1 1 8 TYR HH H -12.529 4.622 1.398 1.00 . A A . 8 TYR HH 1 1 17 6258 1 1 8 TYR N N -5.483 1.731 -1.068 1.00 . A A . 8 TYR N 1 1 17 6259 1 1 8 TYR O O -6.687 4.741 -0.365 1.00 . A A . 8 TYR O 1 1 17 6260 1 1 8 TYR OH O -12.716 3.865 0.838 1.00 . A A . 8 TYR OH 1 1 17 6261 1 1 9 ASN C C -5.259 5.153 2.150 1.00 . A A . 9 ASN C 1 1 17 6262 1 1 9 ASN CA C -6.564 4.365 2.301 1.00 . A A . 9 ASN CA 1 1 17 6263 1 1 9 ASN CB C -6.599 3.639 3.646 1.00 . A A . 9 ASN CB 1 1 17 6264 1 1 9 ASN CG C -8.030 3.636 4.189 1.00 . A A . 9 ASN CG 1 1 17 6265 1 1 9 ASN H H -6.674 2.357 1.563 1.00 . A A . 9 ASN H 1 1 17 6266 1 1 9 ASN HA H -7.410 5.018 2.218 1.00 . A A . 9 ASN HA 1 1 17 6267 1 1 9 ASN HB2 H -6.262 2.621 3.514 1.00 . A A . 9 ASN HB2 1 1 17 6268 1 1 9 ASN HB3 H -5.952 4.146 4.347 1.00 . A A . 9 ASN HB3 1 1 17 6269 1 1 9 ASN HD21 H -8.134 5.614 4.324 1.00 . A A . 9 ASN HD21 1 1 17 6270 1 1 9 ASN HD22 H -9.529 4.780 4.814 1.00 . A A . 9 ASN HD22 1 1 17 6271 1 1 9 ASN N N -6.651 3.290 1.282 1.00 . A A . 9 ASN N 1 1 17 6272 1 1 9 ASN ND2 N -8.613 4.770 4.464 1.00 . A A . 9 ASN ND2 1 1 17 6273 1 1 9 ASN O O -5.192 6.324 2.469 1.00 . A A . 9 ASN O 1 1 17 6274 1 1 9 ASN OD1 O -8.624 2.591 4.363 1.00 . A A . 9 ASN OD1 1 1 17 6275 1 1 10 CYS C C -2.913 6.074 0.242 1.00 . A A . 10 CYS C 1 1 17 6276 1 1 10 CYS CA C -2.926 5.238 1.525 1.00 . A A . 10 CYS CA 1 1 17 6277 1 1 10 CYS CB C -1.861 4.142 1.475 1.00 . A A . 10 CYS CB 1 1 17 6278 1 1 10 CYS H H -4.281 3.584 1.436 1.00 . A A . 10 CYS H 1 1 17 6279 1 1 10 CYS HA H -2.759 5.863 2.373 1.00 . A A . 10 CYS HA 1 1 17 6280 1 1 10 CYS HB2 H -2.117 3.359 2.174 1.00 . A A . 10 CYS HB2 1 1 17 6281 1 1 10 CYS HB3 H -1.809 3.729 0.479 1.00 . A A . 10 CYS HB3 1 1 17 6282 1 1 10 CYS N N -4.217 4.523 1.678 1.00 . A A . 10 CYS N 1 1 17 6283 1 1 10 CYS O O -2.992 7.286 0.280 1.00 . A A . 10 CYS O 1 1 17 6284 1 1 10 CYS SG S -0.254 4.847 1.920 1.00 . A A . 10 CYS SG 1 1 17 6285 1 1 11 MET C C -3.921 7.236 -2.184 1.00 . A A . 11 MET C 1 1 17 6286 1 1 11 MET CA C -2.794 6.204 -2.170 1.00 . A A . 11 MET CA 1 1 17 6287 1 1 11 MET CB C -3.009 5.161 -3.259 1.00 . A A . 11 MET CB 1 1 17 6288 1 1 11 MET CE C 0.480 6.101 -3.452 1.00 . A A . 11 MET CE 1 1 17 6289 1 1 11 MET CG C -1.682 4.462 -3.553 1.00 . A A . 11 MET CG 1 1 17 6290 1 1 11 MET H H -2.751 4.465 -0.903 1.00 . A A . 11 MET H 1 1 17 6291 1 1 11 MET HA H -1.843 6.681 -2.307 1.00 . A A . 11 MET HA 1 1 17 6292 1 1 11 MET HB2 H -3.736 4.438 -2.927 1.00 . A A . 11 MET HB2 1 1 17 6293 1 1 11 MET HB3 H -3.364 5.645 -4.156 1.00 . A A . 11 MET HB3 1 1 17 6294 1 1 11 MET HE1 H 1.420 6.322 -3.939 1.00 . A A . 11 MET HE1 1 1 17 6295 1 1 11 MET HE2 H 0.639 5.350 -2.694 1.00 . A A . 11 MET HE2 1 1 17 6296 1 1 11 MET HE3 H 0.087 6.996 -2.992 1.00 . A A . 11 MET HE3 1 1 17 6297 1 1 11 MET HG2 H -1.139 4.312 -2.629 1.00 . A A . 11 MET HG2 1 1 17 6298 1 1 11 MET HG3 H -1.875 3.510 -4.013 1.00 . A A . 11 MET HG3 1 1 17 6299 1 1 11 MET N N -2.814 5.440 -0.892 1.00 . A A . 11 MET N 1 1 17 6300 1 1 11 MET O O -3.690 8.420 -2.335 1.00 . A A . 11 MET O 1 1 17 6301 1 1 11 MET SD S -0.700 5.486 -4.677 1.00 . A A . 11 MET SD 1 1 17 6302 1 1 12 ASN C C -5.957 8.953 -1.127 1.00 . A A . 12 ASN C 1 1 17 6303 1 1 12 ASN CA C -6.278 7.759 -2.028 1.00 . A A . 12 ASN CA 1 1 17 6304 1 1 12 ASN CB C -7.465 6.973 -1.472 1.00 . A A . 12 ASN CB 1 1 17 6305 1 1 12 ASN CG C -8.741 7.808 -1.615 1.00 . A A . 12 ASN CG 1 1 17 6306 1 1 12 ASN H H -5.301 5.838 -1.905 1.00 . A A . 12 ASN H 1 1 17 6307 1 1 12 ASN HA H -6.489 8.090 -3.028 1.00 . A A . 12 ASN HA 1 1 17 6308 1 1 12 ASN HB2 H -7.574 6.050 -2.022 1.00 . A A . 12 ASN HB2 1 1 17 6309 1 1 12 ASN HB3 H -7.297 6.754 -0.429 1.00 . A A . 12 ASN HB3 1 1 17 6310 1 1 12 ASN HD21 H -9.295 7.546 0.275 1.00 . A A . 12 ASN HD21 1 1 17 6311 1 1 12 ASN HD22 H -10.342 8.497 -0.664 1.00 . A A . 12 ASN HD22 1 1 17 6312 1 1 12 ASN N N -5.137 6.798 -2.026 1.00 . A A . 12 ASN N 1 1 17 6313 1 1 12 ASN ND2 N -9.524 7.963 -0.582 1.00 . A A . 12 ASN ND2 1 1 17 6314 1 1 12 ASN O O -6.130 10.094 -1.504 1.00 . A A . 12 ASN O 1 1 17 6315 1 1 12 ASN OD1 O -9.025 8.325 -2.677 1.00 . A A . 12 ASN OD1 1 1 17 6316 1 1 13 SER C C -4.936 9.243 2.412 1.00 . A A . 13 SER C 1 1 17 6317 1 1 13 SER CA C -5.145 9.797 1.000 1.00 . A A . 13 SER CA 1 1 17 6318 1 1 13 SER CB C -6.345 10.744 0.971 1.00 . A A . 13 SER CB 1 1 17 6319 1 1 13 SER H H -5.352 7.766 0.336 1.00 . A A . 13 SER H 1 1 17 6320 1 1 13 SER HA H -4.261 10.310 0.663 1.00 . A A . 13 SER HA 1 1 17 6321 1 1 13 SER HB2 H -6.412 11.273 1.907 1.00 . A A . 13 SER HB2 1 1 17 6322 1 1 13 SER HB3 H -6.223 11.455 0.165 1.00 . A A . 13 SER HB3 1 1 17 6323 1 1 13 SER HG H -7.660 9.430 1.548 1.00 . A A . 13 SER HG 1 1 17 6324 1 1 13 SER N N -5.486 8.692 0.062 1.00 . A A . 13 SER N 1 1 17 6325 1 1 13 SER O O -5.876 8.889 3.096 1.00 . A A . 13 SER O 1 1 17 6326 1 1 13 SER OG O -7.533 9.987 0.776 1.00 . A A . 13 SER OG 1 1 17 6327 1 1 14 GLY C C -1.972 8.862 4.565 1.00 . A A . 14 GLY C 1 1 17 6328 1 1 14 GLY CA C -3.441 8.640 4.214 1.00 . A A . 14 GLY CA 1 1 17 6329 1 1 14 GLY H H -2.971 9.453 2.297 1.00 . A A . 14 GLY H 1 1 17 6330 1 1 14 GLY HA2 H -4.061 9.160 4.920 1.00 . A A . 14 GLY HA2 1 1 17 6331 1 1 14 GLY HA3 H -3.659 7.585 4.240 1.00 . A A . 14 GLY HA3 1 1 17 6332 1 1 14 GLY N N -3.711 9.165 2.856 1.00 . A A . 14 GLY N 1 1 17 6333 1 1 14 GLY O O -1.643 9.600 5.472 1.00 . A A . 14 GLY O 1 1 17 6334 1 1 15 GLY C C 0.857 9.699 3.489 1.00 . A A . 15 GLY C 1 1 17 6335 1 1 15 GLY CA C 0.364 8.404 4.135 1.00 . A A . 15 GLY CA 1 1 17 6336 1 1 15 GLY H H -1.379 7.644 3.123 1.00 . A A . 15 GLY H 1 1 17 6337 1 1 15 GLY HA2 H 0.516 8.452 5.206 1.00 . A A . 15 GLY HA2 1 1 17 6338 1 1 15 GLY HA3 H 0.914 7.569 3.727 1.00 . A A . 15 GLY HA3 1 1 17 6339 1 1 15 GLY N N -1.088 8.231 3.850 1.00 . A A . 15 GLY N 1 1 17 6340 1 1 15 GLY O O 1.579 10.469 4.091 1.00 . A A . 15 GLY O 1 1 17 6341 1 1 16 GLY C C 2.436 11.216 1.501 1.00 . A A . 16 GLY C 1 1 17 6342 1 1 16 GLY CA C 0.909 11.188 1.585 1.00 . A A . 16 GLY CA 1 1 17 6343 1 1 16 GLY H H -0.115 9.320 1.806 1.00 . A A . 16 GLY H 1 1 17 6344 1 1 16 GLY HA2 H 0.491 11.214 0.587 1.00 . A A . 16 GLY HA2 1 1 17 6345 1 1 16 GLY HA3 H 0.565 12.040 2.144 1.00 . A A . 16 GLY HA3 1 1 17 6346 1 1 16 GLY N N 0.469 9.946 2.270 1.00 . A A . 16 GLY N 1 1 17 6347 1 1 16 GLY O O 3.043 12.265 1.425 1.00 . A A . 16 GLY O 1 1 17 6348 1 1 17 LEU C C 4.973 9.542 0.041 1.00 . A A . 17 LEU C 1 1 17 6349 1 1 17 LEU CA C 4.555 10.038 1.422 1.00 . A A . 17 LEU CA 1 1 17 6350 1 1 17 LEU CB C 5.066 9.060 2.499 1.00 . A A . 17 LEU CB 1 1 17 6351 1 1 17 LEU CD1 C 3.362 7.240 2.686 1.00 . A A . 17 LEU CD1 1 1 17 6352 1 1 17 LEU CD2 C 4.472 8.135 4.733 1.00 . A A . 17 LEU CD2 1 1 17 6353 1 1 17 LEU CG C 3.926 8.495 3.353 1.00 . A A . 17 LEU CG 1 1 17 6354 1 1 17 LEU H H 2.556 9.234 1.565 1.00 . A A . 17 LEU H 1 1 17 6355 1 1 17 LEU HA H 4.956 11.017 1.602 1.00 . A A . 17 LEU HA 1 1 17 6356 1 1 17 LEU HB2 H 5.579 8.243 2.016 1.00 . A A . 17 LEU HB2 1 1 17 6357 1 1 17 LEU HB3 H 5.764 9.580 3.141 1.00 . A A . 17 LEU HB3 1 1 17 6358 1 1 17 LEU HD11 H 4.068 6.873 1.956 1.00 . A A . 17 LEU HD11 1 1 17 6359 1 1 17 LEU HD12 H 2.430 7.479 2.197 1.00 . A A . 17 LEU HD12 1 1 17 6360 1 1 17 LEU HD13 H 3.193 6.481 3.435 1.00 . A A . 17 LEU HD13 1 1 17 6361 1 1 17 LEU HD21 H 3.919 7.297 5.132 1.00 . A A . 17 LEU HD21 1 1 17 6362 1 1 17 LEU HD22 H 4.367 8.983 5.393 1.00 . A A . 17 LEU HD22 1 1 17 6363 1 1 17 LEU HD23 H 5.515 7.870 4.648 1.00 . A A . 17 LEU HD23 1 1 17 6364 1 1 17 LEU HG H 3.147 9.231 3.455 1.00 . A A . 17 LEU HG 1 1 17 6365 1 1 17 LEU N N 3.063 10.070 1.508 1.00 . A A . 17 LEU N 1 1 17 6366 1 1 17 LEU O O 5.633 10.231 -0.711 1.00 . A A . 17 LEU O 1 1 17 6367 1 1 18 SER C C 3.972 6.690 -2.029 1.00 . A A . 18 SER C 1 1 17 6368 1 1 18 SER CA C 4.962 7.777 -1.617 1.00 . A A . 18 SER CA 1 1 17 6369 1 1 18 SER CB C 6.353 7.181 -1.419 1.00 . A A . 18 SER CB 1 1 17 6370 1 1 18 SER H H 4.066 7.812 0.341 1.00 . A A . 18 SER H 1 1 17 6371 1 1 18 SER HA H 4.999 8.548 -2.365 1.00 . A A . 18 SER HA 1 1 17 6372 1 1 18 SER HB2 H 6.626 7.245 -0.382 1.00 . A A . 18 SER HB2 1 1 17 6373 1 1 18 SER HB3 H 6.348 6.144 -1.727 1.00 . A A . 18 SER HB3 1 1 17 6374 1 1 18 SER HG H 6.883 8.118 -3.040 1.00 . A A . 18 SER HG 1 1 17 6375 1 1 18 SER N N 4.593 8.342 -0.289 1.00 . A A . 18 SER N 1 1 17 6376 1 1 18 SER O O 2.890 6.577 -1.487 1.00 . A A . 18 SER O 1 1 17 6377 1 1 18 SER OG O 7.292 7.915 -2.196 1.00 . A A . 18 SER OG 1 1 17 6378 1 1 19 PHE C C 4.016 3.451 -3.057 1.00 . A A . 19 PHE C 1 1 17 6379 1 1 19 PHE CA C 3.439 4.804 -3.453 1.00 . A A . 19 PHE CA 1 1 17 6380 1 1 19 PHE CB C 3.407 4.948 -4.976 1.00 . A A . 19 PHE CB 1 1 17 6381 1 1 19 PHE CD1 C 1.487 3.311 -4.755 1.00 . A A . 19 PHE CD1 1 1 17 6382 1 1 19 PHE CD2 C 2.380 3.785 -6.959 1.00 . A A . 19 PHE CD2 1 1 17 6383 1 1 19 PHE CE1 C 0.560 2.429 -5.321 1.00 . A A . 19 PHE CE1 1 1 17 6384 1 1 19 PHE CE2 C 1.452 2.904 -7.525 1.00 . A A . 19 PHE CE2 1 1 17 6385 1 1 19 PHE CG C 2.400 3.991 -5.574 1.00 . A A . 19 PHE CG 1 1 17 6386 1 1 19 PHE CZ C 0.543 2.225 -6.706 1.00 . A A . 19 PHE CZ 1 1 17 6387 1 1 19 PHE H H 5.222 6.012 -3.401 1.00 . A A . 19 PHE H 1 1 17 6388 1 1 19 PHE HA H 2.452 4.927 -3.046 1.00 . A A . 19 PHE HA 1 1 17 6389 1 1 19 PHE HB2 H 3.138 5.961 -5.232 1.00 . A A . 19 PHE HB2 1 1 17 6390 1 1 19 PHE HB3 H 4.387 4.728 -5.374 1.00 . A A . 19 PHE HB3 1 1 17 6391 1 1 19 PHE HD1 H 1.500 3.466 -3.687 1.00 . A A . 19 PHE HD1 1 1 17 6392 1 1 19 PHE HD2 H 3.081 4.309 -7.593 1.00 . A A . 19 PHE HD2 1 1 17 6393 1 1 19 PHE HE1 H -0.142 1.905 -4.690 1.00 . A A . 19 PHE HE1 1 1 17 6394 1 1 19 PHE HE2 H 1.439 2.747 -8.593 1.00 . A A . 19 PHE HE2 1 1 17 6395 1 1 19 PHE HZ H -0.174 1.544 -7.143 1.00 . A A . 19 PHE HZ 1 1 17 6396 1 1 19 PHE N N 4.343 5.893 -2.985 1.00 . A A . 19 PHE N 1 1 17 6397 1 1 19 PHE O O 3.379 2.656 -2.397 1.00 . A A . 19 PHE O 1 1 17 6398 1 1 20 ILE C C 5.723 1.683 -1.580 1.00 . A A . 20 ILE C 1 1 17 6399 1 1 20 ILE CA C 5.854 1.886 -3.086 1.00 . A A . 20 ILE CA 1 1 17 6400 1 1 20 ILE CB C 7.340 1.976 -3.466 1.00 . A A . 20 ILE CB 1 1 17 6401 1 1 20 ILE CD1 C 7.978 4.212 -4.348 1.00 . A A . 20 ILE CD1 1 1 17 6402 1 1 20 ILE CG1 C 7.526 2.804 -4.739 1.00 . A A . 20 ILE CG1 1 1 17 6403 1 1 20 ILE CG2 C 7.886 0.568 -3.706 1.00 . A A . 20 ILE CG2 1 1 17 6404 1 1 20 ILE H H 5.713 3.858 -3.972 1.00 . A A . 20 ILE H 1 1 17 6405 1 1 20 ILE HA H 5.380 1.078 -3.619 1.00 . A A . 20 ILE HA 1 1 17 6406 1 1 20 ILE HB H 7.887 2.435 -2.654 1.00 . A A . 20 ILE HB 1 1 17 6407 1 1 20 ILE HD11 H 9.036 4.203 -4.128 1.00 . A A . 20 ILE HD11 1 1 17 6408 1 1 20 ILE HD12 H 7.432 4.534 -3.472 1.00 . A A . 20 ILE HD12 1 1 17 6409 1 1 20 ILE HD13 H 7.784 4.892 -5.164 1.00 . A A . 20 ILE HD13 1 1 17 6410 1 1 20 ILE HG12 H 8.276 2.341 -5.364 1.00 . A A . 20 ILE HG12 1 1 17 6411 1 1 20 ILE HG13 H 6.591 2.861 -5.274 1.00 . A A . 20 ILE HG13 1 1 17 6412 1 1 20 ILE HG21 H 7.315 -0.143 -3.127 1.00 . A A . 20 ILE HG21 1 1 17 6413 1 1 20 ILE HG22 H 8.922 0.527 -3.405 1.00 . A A . 20 ILE HG22 1 1 17 6414 1 1 20 ILE HG23 H 7.805 0.325 -4.755 1.00 . A A . 20 ILE HG23 1 1 17 6415 1 1 20 ILE N N 5.227 3.192 -3.451 1.00 . A A . 20 ILE N 1 1 17 6416 1 1 20 ILE O O 5.733 0.573 -1.086 1.00 . A A . 20 ILE O 1 1 17 6417 1 1 21 GLN C C 4.169 1.922 0.988 1.00 . A A . 21 GLN C 1 1 17 6418 1 1 21 GLN CA C 5.475 2.632 0.632 1.00 . A A . 21 GLN CA 1 1 17 6419 1 1 21 GLN CB C 5.468 4.067 1.154 1.00 . A A . 21 GLN CB 1 1 17 6420 1 1 21 GLN CD C 7.358 5.364 2.149 1.00 . A A . 21 GLN CD 1 1 17 6421 1 1 21 GLN CG C 6.826 4.709 0.874 1.00 . A A . 21 GLN CG 1 1 17 6422 1 1 21 GLN H H 5.599 3.645 -1.265 1.00 . A A . 21 GLN H 1 1 17 6423 1 1 21 GLN HA H 6.319 2.099 1.033 1.00 . A A . 21 GLN HA 1 1 17 6424 1 1 21 GLN HB2 H 4.691 4.630 0.656 1.00 . A A . 21 GLN HB2 1 1 17 6425 1 1 21 GLN HB3 H 5.287 4.064 2.218 1.00 . A A . 21 GLN HB3 1 1 17 6426 1 1 21 GLN HE21 H 9.179 4.600 1.944 1.00 . A A . 21 GLN HE21 1 1 17 6427 1 1 21 GLN HE22 H 8.951 5.578 3.312 1.00 . A A . 21 GLN HE22 1 1 17 6428 1 1 21 GLN HG2 H 7.520 3.949 0.543 1.00 . A A . 21 GLN HG2 1 1 17 6429 1 1 21 GLN HG3 H 6.718 5.456 0.105 1.00 . A A . 21 GLN HG3 1 1 17 6430 1 1 21 GLN N N 5.603 2.757 -0.844 1.00 . A A . 21 GLN N 1 1 17 6431 1 1 21 GLN NE2 N 8.599 5.165 2.497 1.00 . A A . 21 GLN NE2 1 1 17 6432 1 1 21 GLN O O 4.043 1.316 2.033 1.00 . A A . 21 GLN O 1 1 17 6433 1 1 21 GLN OE1 O 6.639 6.063 2.834 1.00 . A A . 21 GLN OE1 1 1 17 6434 1 1 22 CYS C C 1.554 0.351 -0.727 1.00 . A A . 22 CYS C 1 1 17 6435 1 1 22 CYS CA C 1.900 1.320 0.404 1.00 . A A . 22 CYS CA 1 1 17 6436 1 1 22 CYS CB C 0.883 2.454 0.465 1.00 . A A . 22 CYS CB 1 1 17 6437 1 1 22 CYS H H 3.316 2.484 -0.711 1.00 . A A . 22 CYS H 1 1 17 6438 1 1 22 CYS HA H 1.937 0.802 1.349 1.00 . A A . 22 CYS HA 1 1 17 6439 1 1 22 CYS HB2 H 1.112 3.184 -0.300 1.00 . A A . 22 CYS HB2 1 1 17 6440 1 1 22 CYS HB3 H -0.105 2.058 0.300 1.00 . A A . 22 CYS HB3 1 1 17 6441 1 1 22 CYS N N 3.195 1.991 0.124 1.00 . A A . 22 CYS N 1 1 17 6442 1 1 22 CYS O O 0.952 -0.681 -0.507 1.00 . A A . 22 CYS O 1 1 17 6443 1 1 22 CYS SG S 0.957 3.241 2.094 1.00 . A A . 22 CYS SG 1 1 17 6444 1 1 23 LYS C C 1.793 -1.684 -2.678 1.00 . A A . 23 LYS C 1 1 17 6445 1 1 23 LYS CA C 1.630 -0.220 -3.087 1.00 . A A . 23 LYS CA 1 1 17 6446 1 1 23 LYS CB C 2.658 0.155 -4.154 1.00 . A A . 23 LYS CB 1 1 17 6447 1 1 23 LYS CD C 1.238 -0.761 -5.984 1.00 . A A . 23 LYS CD 1 1 17 6448 1 1 23 LYS CE C 0.896 -2.106 -6.631 1.00 . A A . 23 LYS CE 1 1 17 6449 1 1 23 LYS CG C 2.599 -0.858 -5.296 1.00 . A A . 23 LYS CG 1 1 17 6450 1 1 23 LYS H H 2.413 1.519 -2.089 1.00 . A A . 23 LYS H 1 1 17 6451 1 1 23 LYS HA H 0.636 -0.040 -3.455 1.00 . A A . 23 LYS HA 1 1 17 6452 1 1 23 LYS HB2 H 2.439 1.142 -4.535 1.00 . A A . 23 LYS HB2 1 1 17 6453 1 1 23 LYS HB3 H 3.648 0.148 -3.720 1.00 . A A . 23 LYS HB3 1 1 17 6454 1 1 23 LYS HD2 H 0.484 -0.509 -5.252 1.00 . A A . 23 LYS HD2 1 1 17 6455 1 1 23 LYS HD3 H 1.274 0.003 -6.742 1.00 . A A . 23 LYS HD3 1 1 17 6456 1 1 23 LYS HE2 H 1.153 -2.918 -5.965 1.00 . A A . 23 LYS HE2 1 1 17 6457 1 1 23 LYS HE3 H -0.151 -2.143 -6.888 1.00 . A A . 23 LYS HE3 1 1 17 6458 1 1 23 LYS HG2 H 3.382 -0.644 -6.010 1.00 . A A . 23 LYS HG2 1 1 17 6459 1 1 23 LYS HG3 H 2.733 -1.854 -4.902 1.00 . A A . 23 LYS HG3 1 1 17 6460 1 1 23 LYS HZ1 H 2.669 -1.768 -7.666 1.00 . A A . 23 LYS HZ1 1 1 17 6461 1 1 23 LYS HZ2 H 1.270 -1.601 -8.614 1.00 . A A . 23 LYS HZ2 1 1 17 6462 1 1 23 LYS HZ3 H 1.822 -3.147 -8.176 1.00 . A A . 23 LYS HZ3 1 1 17 6463 1 1 23 LYS N N 1.932 0.678 -1.936 1.00 . A A . 23 LYS N 1 1 17 6464 1 1 23 LYS NZ N 1.727 -2.159 -7.866 1.00 . A A . 23 LYS NZ 1 1 17 6465 1 1 23 LYS O O 0.889 -2.485 -2.817 1.00 . A A . 23 LYS O 1 1 17 6466 1 1 24 THR C C 3.990 -3.506 -0.460 1.00 . A A . 24 THR C 1 1 17 6467 1 1 24 THR CA C 3.167 -3.450 -1.753 1.00 . A A . 24 THR CA 1 1 17 6468 1 1 24 THR CB C 3.941 -4.085 -2.908 1.00 . A A . 24 THR CB 1 1 17 6469 1 1 24 THR CG2 C 5.246 -3.319 -3.134 1.00 . A A . 24 THR CG2 1 1 17 6470 1 1 24 THR H H 3.651 -1.373 -2.075 1.00 . A A . 24 THR H 1 1 17 6471 1 1 24 THR HA H 2.225 -3.957 -1.621 1.00 . A A . 24 THR HA 1 1 17 6472 1 1 24 THR HB H 3.346 -4.045 -3.806 1.00 . A A . 24 THR HB 1 1 17 6473 1 1 24 THR HG1 H 3.431 -5.952 -2.716 1.00 . A A . 24 THR HG1 1 1 17 6474 1 1 24 THR HG21 H 5.195 -2.789 -4.074 1.00 . A A . 24 THR HG21 1 1 17 6475 1 1 24 THR HG22 H 6.073 -4.013 -3.156 1.00 . A A . 24 THR HG22 1 1 17 6476 1 1 24 THR HG23 H 5.392 -2.611 -2.330 1.00 . A A . 24 THR HG23 1 1 17 6477 1 1 24 THR N N 2.940 -2.036 -2.174 1.00 . A A . 24 THR N 1 1 17 6478 1 1 24 THR O O 4.332 -4.567 0.019 1.00 . A A . 24 THR O 1 1 17 6479 1 1 24 THR OG1 O 4.233 -5.439 -2.591 1.00 . A A . 24 THR OG1 1 1 17 6480 1 1 25 MET C C 4.270 -2.879 2.530 1.00 . A A . 25 MET C 1 1 17 6481 1 1 25 MET CA C 5.114 -2.374 1.358 1.00 . A A . 25 MET CA 1 1 17 6482 1 1 25 MET CB C 5.508 -0.915 1.569 1.00 . A A . 25 MET CB 1 1 17 6483 1 1 25 MET CE C 7.753 1.369 2.725 1.00 . A A . 25 MET CE 1 1 17 6484 1 1 25 MET CG C 6.968 -0.715 1.166 1.00 . A A . 25 MET CG 1 1 17 6485 1 1 25 MET H H 4.040 -1.529 -0.286 1.00 . A A . 25 MET H 1 1 17 6486 1 1 25 MET HA H 5.992 -2.976 1.234 1.00 . A A . 25 MET HA 1 1 17 6487 1 1 25 MET HB2 H 4.878 -0.286 0.960 1.00 . A A . 25 MET HB2 1 1 17 6488 1 1 25 MET HB3 H 5.382 -0.654 2.609 1.00 . A A . 25 MET HB3 1 1 17 6489 1 1 25 MET HE1 H 6.717 1.597 2.935 1.00 . A A . 25 MET HE1 1 1 17 6490 1 1 25 MET HE2 H 8.031 1.808 1.780 1.00 . A A . 25 MET HE2 1 1 17 6491 1 1 25 MET HE3 H 8.382 1.773 3.507 1.00 . A A . 25 MET HE3 1 1 17 6492 1 1 25 MET HG2 H 7.326 -1.598 0.657 1.00 . A A . 25 MET HG2 1 1 17 6493 1 1 25 MET HG3 H 7.046 0.137 0.507 1.00 . A A . 25 MET HG3 1 1 17 6494 1 1 25 MET N N 4.315 -2.375 0.108 1.00 . A A . 25 MET N 1 1 17 6495 1 1 25 MET O O 4.319 -4.039 2.891 1.00 . A A . 25 MET O 1 1 17 6496 1 1 25 MET SD S 7.970 -0.426 2.647 1.00 . A A . 25 MET SD 1 1 17 6497 1 1 26 CYS C C 1.916 -3.738 3.944 1.00 . A A . 26 CYS C 1 1 17 6498 1 1 26 CYS CA C 2.650 -2.435 4.274 1.00 . A A . 26 CYS CA 1 1 17 6499 1 1 26 CYS CB C 1.655 -1.292 4.464 1.00 . A A . 26 CYS CB 1 1 17 6500 1 1 26 CYS H H 3.476 -1.084 2.816 1.00 . A A . 26 CYS H 1 1 17 6501 1 1 26 CYS HA H 3.248 -2.554 5.163 1.00 . A A . 26 CYS HA 1 1 17 6502 1 1 26 CYS HB2 H 0.946 -1.554 5.233 1.00 . A A . 26 CYS HB2 1 1 17 6503 1 1 26 CYS HB3 H 2.186 -0.397 4.754 1.00 . A A . 26 CYS HB3 1 1 17 6504 1 1 26 CYS N N 3.499 -2.014 3.126 1.00 . A A . 26 CYS N 1 1 17 6505 1 1 26 CYS O O 1.488 -3.954 2.828 1.00 . A A . 26 CYS O 1 1 17 6506 1 1 26 CYS SG S 0.777 -0.993 2.910 1.00 . A A . 26 CYS SG 1 1 17 6507 1 1 27 TYR C C -0.410 -5.781 5.060 1.00 . A A . 27 TYR C 1 1 17 6508 1 1 27 TYR CA C 1.060 -5.893 4.647 1.00 . A A . 27 TYR CA 1 1 17 6509 1 1 27 TYR CB C 1.785 -6.922 5.514 1.00 . A A . 27 TYR CB 1 1 17 6510 1 1 27 TYR CD1 C 1.564 -8.691 3.732 1.00 . A A . 27 TYR CD1 1 1 17 6511 1 1 27 TYR CD2 C 0.890 -9.228 5.999 1.00 . A A . 27 TYR CD2 1 1 17 6512 1 1 27 TYR CE1 C 1.213 -9.982 3.321 1.00 . A A . 27 TYR CE1 1 1 17 6513 1 1 27 TYR CE2 C 0.538 -10.519 5.588 1.00 . A A . 27 TYR CE2 1 1 17 6514 1 1 27 TYR CG C 1.404 -8.314 5.071 1.00 . A A . 27 TYR CG 1 1 17 6515 1 1 27 TYR CZ C 0.699 -10.896 4.249 1.00 . A A . 27 TYR CZ 1 1 17 6516 1 1 27 TYR H H 2.119 -4.412 5.800 1.00 . A A . 27 TYR H 1 1 17 6517 1 1 27 TYR HA H 1.140 -6.164 3.606 1.00 . A A . 27 TYR HA 1 1 17 6518 1 1 27 TYR HB2 H 2.854 -6.792 5.409 1.00 . A A . 27 TYR HB2 1 1 17 6519 1 1 27 TYR HB3 H 1.503 -6.785 6.548 1.00 . A A . 27 TYR HB3 1 1 17 6520 1 1 27 TYR HD1 H 1.960 -7.985 3.017 1.00 . A A . 27 TYR HD1 1 1 17 6521 1 1 27 TYR HD2 H 0.767 -8.937 7.032 1.00 . A A . 27 TYR HD2 1 1 17 6522 1 1 27 TYR HE1 H 1.337 -10.272 2.288 1.00 . A A . 27 TYR HE1 1 1 17 6523 1 1 27 TYR HE2 H 0.142 -11.224 6.304 1.00 . A A . 27 TYR HE2 1 1 17 6524 1 1 27 TYR HH H 0.149 -12.685 4.627 1.00 . A A . 27 TYR HH 1 1 17 6525 1 1 27 TYR N N 1.766 -4.606 4.906 1.00 . A A . 27 TYR N 1 1 17 6526 1 1 27 TYR O O -1.059 -6.809 5.155 1.00 . A A . 27 TYR O 1 1 17 6527 1 1 27 TYR OXT O -0.862 -4.668 5.274 1.00 . A A . 27 TYR OXT 1 1 17 6528 1 1 27 TYR OH O 0.351 -12.169 3.844 1.00 . A A . 27 TYR OH 1 1 18 6529 1 1 1 GLY C C -3.672 -7.258 4.526 1.00 . A A . 1 GLY C 1 1 18 6530 1 1 1 GLY CA C -4.313 -8.642 4.419 1.00 . A A . 1 GLY CA 1 1 18 6531 1 1 1 GLY H1 H -2.758 -9.228 3.163 1.00 . A A . 1 GLY H1 1 1 18 6532 1 1 1 GLY H2 H -4.225 -8.932 2.359 1.00 . A A . 1 GLY H2 1 1 18 6533 1 1 1 GLY H3 H -4.022 -10.353 3.268 1.00 . A A . 1 GLY H3 1 1 18 6534 1 1 1 GLY HA2 H -5.386 -8.540 4.339 1.00 . A A . 1 GLY HA2 1 1 18 6535 1 1 1 GLY HA3 H -4.070 -9.216 5.301 1.00 . A A . 1 GLY HA3 1 1 18 6536 1 1 1 GLY N N -3.790 -9.342 3.211 1.00 . A A . 1 GLY N 1 1 18 6537 1 1 1 GLY O O -3.508 -6.719 5.603 1.00 . A A . 1 GLY O 1 1 18 6538 1 1 2 GLY C C -3.077 -4.540 2.206 1.00 . A A . 2 GLY C 1 1 18 6539 1 1 2 GLY CA C -2.676 -5.327 3.454 1.00 . A A . 2 GLY CA 1 1 18 6540 1 1 2 GLY H H -3.447 -7.127 2.558 1.00 . A A . 2 GLY H 1 1 18 6541 1 1 2 GLY HA2 H -3.007 -4.799 4.338 1.00 . A A . 2 GLY HA2 1 1 18 6542 1 1 2 GLY HA3 H -1.602 -5.432 3.479 1.00 . A A . 2 GLY HA3 1 1 18 6543 1 1 2 GLY N N -3.307 -6.676 3.416 1.00 . A A . 2 GLY N 1 1 18 6544 1 1 2 GLY O O -3.781 -3.552 2.282 1.00 . A A . 2 GLY O 1 1 18 6545 1 1 3 LEU C C -4.501 -3.989 -0.248 1.00 . A A . 3 LEU C 1 1 18 6546 1 1 3 LEU CA C -2.993 -4.245 -0.197 1.00 . A A . 3 LEU CA 1 1 18 6547 1 1 3 LEU CB C -2.571 -5.181 -1.330 1.00 . A A . 3 LEU CB 1 1 18 6548 1 1 3 LEU CD1 C -0.994 -7.109 -1.148 1.00 . A A . 3 LEU CD1 1 1 18 6549 1 1 3 LEU CD2 C -0.271 -5.007 -2.287 1.00 . A A . 3 LEU CD2 1 1 18 6550 1 1 3 LEU CG C -1.107 -5.583 -1.143 1.00 . A A . 3 LEU CG 1 1 18 6551 1 1 3 LEU H H -2.070 -5.767 1.016 1.00 . A A . 3 LEU H 1 1 18 6552 1 1 3 LEU HA H -2.449 -3.315 -0.265 1.00 . A A . 3 LEU HA 1 1 18 6553 1 1 3 LEU HB2 H -3.193 -6.064 -1.317 1.00 . A A . 3 LEU HB2 1 1 18 6554 1 1 3 LEU HB3 H -2.685 -4.675 -2.277 1.00 . A A . 3 LEU HB3 1 1 18 6555 1 1 3 LEU HD11 H -1.568 -7.510 -1.969 1.00 . A A . 3 LEU HD11 1 1 18 6556 1 1 3 LEU HD12 H -1.376 -7.501 -0.216 1.00 . A A . 3 LEU HD12 1 1 18 6557 1 1 3 LEU HD13 H 0.043 -7.392 -1.259 1.00 . A A . 3 LEU HD13 1 1 18 6558 1 1 3 LEU HD21 H -0.767 -5.199 -3.227 1.00 . A A . 3 LEU HD21 1 1 18 6559 1 1 3 LEU HD22 H 0.702 -5.475 -2.291 1.00 . A A . 3 LEU HD22 1 1 18 6560 1 1 3 LEU HD23 H -0.158 -3.942 -2.150 1.00 . A A . 3 LEU HD23 1 1 18 6561 1 1 3 LEU HG H -0.747 -5.198 -0.200 1.00 . A A . 3 LEU HG 1 1 18 6562 1 1 3 LEU N N -2.636 -4.969 1.056 1.00 . A A . 3 LEU N 1 1 18 6563 1 1 3 LEU O O -4.964 -3.071 -0.896 1.00 . A A . 3 LEU O 1 1 18 6564 1 1 4 GLY C C -7.079 -3.127 0.554 1.00 . A A . 4 GLY C 1 1 18 6565 1 1 4 GLY CA C -6.746 -4.611 0.420 1.00 . A A . 4 GLY CA 1 1 18 6566 1 1 4 GLY H H -4.875 -5.534 0.939 1.00 . A A . 4 GLY H 1 1 18 6567 1 1 4 GLY HA2 H -7.147 -4.989 -0.506 1.00 . A A . 4 GLY HA2 1 1 18 6568 1 1 4 GLY HA3 H -7.182 -5.150 1.251 1.00 . A A . 4 GLY HA3 1 1 18 6569 1 1 4 GLY N N -5.270 -4.799 0.428 1.00 . A A . 4 GLY N 1 1 18 6570 1 1 4 GLY O O -7.531 -2.494 -0.380 1.00 . A A . 4 GLY O 1 1 18 6571 1 1 5 ARG C C -5.877 -0.305 1.995 1.00 . A A . 5 ARG C 1 1 18 6572 1 1 5 ARG CA C -7.169 -1.124 1.909 1.00 . A A . 5 ARG CA 1 1 18 6573 1 1 5 ARG CB C -7.933 -1.063 3.231 1.00 . A A . 5 ARG CB 1 1 18 6574 1 1 5 ARG CD C -10.209 -0.172 2.688 1.00 . A A . 5 ARG CD 1 1 18 6575 1 1 5 ARG CG C -8.825 0.179 3.245 1.00 . A A . 5 ARG CG 1 1 18 6576 1 1 5 ARG CZ C -10.037 -0.408 0.281 1.00 . A A . 5 ARG CZ 1 1 18 6577 1 1 5 ARG H H -6.500 -3.100 2.446 1.00 . A A . 5 ARG H 1 1 18 6578 1 1 5 ARG HA H -7.790 -0.756 1.110 1.00 . A A . 5 ARG HA 1 1 18 6579 1 1 5 ARG HB2 H -8.545 -1.948 3.334 1.00 . A A . 5 ARG HB2 1 1 18 6580 1 1 5 ARG HB3 H -7.234 -1.010 4.051 1.00 . A A . 5 ARG HB3 1 1 18 6581 1 1 5 ARG HD2 H -10.761 -0.760 3.407 1.00 . A A . 5 ARG HD2 1 1 18 6582 1 1 5 ARG HD3 H -10.751 0.725 2.437 1.00 . A A . 5 ARG HD3 1 1 18 6583 1 1 5 ARG HE H -9.694 -1.914 1.530 1.00 . A A . 5 ARG HE 1 1 18 6584 1 1 5 ARG HG2 H -8.924 0.540 4.258 1.00 . A A . 5 ARG HG2 1 1 18 6585 1 1 5 ARG HG3 H -8.377 0.947 2.632 1.00 . A A . 5 ARG HG3 1 1 18 6586 1 1 5 ARG HH11 H -11.614 0.724 0.777 1.00 . A A . 5 ARG HH11 1 1 18 6587 1 1 5 ARG HH12 H -11.044 0.903 -0.848 1.00 . A A . 5 ARG HH12 1 1 18 6588 1 1 5 ARG HH21 H -8.484 -1.406 -0.494 1.00 . A A . 5 ARG HH21 1 1 18 6589 1 1 5 ARG HH22 H -9.272 -0.297 -1.566 1.00 . A A . 5 ARG HH22 1 1 18 6590 1 1 5 ARG N N -6.861 -2.568 1.709 1.00 . A A . 5 ARG N 1 1 18 6591 1 1 5 ARG NE N -9.942 -0.969 1.457 1.00 . A A . 5 ARG NE 1 1 18 6592 1 1 5 ARG NH1 N -10.972 0.475 0.053 1.00 . A A . 5 ARG NH1 1 1 18 6593 1 1 5 ARG NH2 N -9.200 -0.730 -0.667 1.00 . A A . 5 ARG NH2 1 1 18 6594 1 1 5 ARG O O -5.907 0.905 2.094 1.00 . A A . 5 ARG O 1 1 18 6595 1 1 6 CYS C C -3.516 1.001 1.071 1.00 . A A . 6 CYS C 1 1 18 6596 1 1 6 CYS CA C -3.461 -0.196 2.021 1.00 . A A . 6 CYS CA 1 1 18 6597 1 1 6 CYS CB C -2.391 -1.189 1.568 1.00 . A A . 6 CYS CB 1 1 18 6598 1 1 6 CYS H H -4.737 -1.927 1.865 1.00 . A A . 6 CYS H 1 1 18 6599 1 1 6 CYS HA H -3.265 0.127 3.031 1.00 . A A . 6 CYS HA 1 1 18 6600 1 1 6 CYS HB2 H -2.856 -1.994 1.018 1.00 . A A . 6 CYS HB2 1 1 18 6601 1 1 6 CYS HB3 H -1.679 -0.684 0.930 1.00 . A A . 6 CYS HB3 1 1 18 6602 1 1 6 CYS N N -4.745 -0.950 1.951 1.00 . A A . 6 CYS N 1 1 18 6603 1 1 6 CYS O O -3.903 2.090 1.447 1.00 . A A . 6 CYS O 1 1 18 6604 1 1 6 CYS SG S -1.535 -1.859 3.015 1.00 . A A . 6 CYS SG 1 1 18 6605 1 1 7 ILE C C -4.461 2.719 -1.004 1.00 . A A . 7 ILE C 1 1 18 6606 1 1 7 ILE CA C -3.170 1.911 -1.148 1.00 . A A . 7 ILE CA 1 1 18 6607 1 1 7 ILE CB C -3.110 1.197 -2.490 1.00 . A A . 7 ILE CB 1 1 18 6608 1 1 7 ILE CD1 C -1.774 -0.902 -2.361 1.00 . A A . 7 ILE CD1 1 1 18 6609 1 1 7 ILE CG1 C -1.724 0.598 -2.654 1.00 . A A . 7 ILE CG1 1 1 18 6610 1 1 7 ILE CG2 C -3.389 2.178 -3.628 1.00 . A A . 7 ILE CG2 1 1 18 6611 1 1 7 ILE H H -2.834 -0.086 -0.443 1.00 . A A . 7 ILE H 1 1 18 6612 1 1 7 ILE HA H -2.309 2.549 -1.028 1.00 . A A . 7 ILE HA 1 1 18 6613 1 1 7 ILE HB H -3.837 0.409 -2.506 1.00 . A A . 7 ILE HB 1 1 18 6614 1 1 7 ILE HD11 H -2.803 -1.231 -2.345 1.00 . A A . 7 ILE HD11 1 1 18 6615 1 1 7 ILE HD12 H -1.320 -1.097 -1.400 1.00 . A A . 7 ILE HD12 1 1 18 6616 1 1 7 ILE HD13 H -1.236 -1.437 -3.129 1.00 . A A . 7 ILE HD13 1 1 18 6617 1 1 7 ILE HG12 H -1.382 0.758 -3.660 1.00 . A A . 7 ILE HG12 1 1 18 6618 1 1 7 ILE HG13 H -1.056 1.077 -1.959 1.00 . A A . 7 ILE HG13 1 1 18 6619 1 1 7 ILE HG21 H -4.421 2.488 -3.593 1.00 . A A . 7 ILE HG21 1 1 18 6620 1 1 7 ILE HG22 H -3.188 1.697 -4.574 1.00 . A A . 7 ILE HG22 1 1 18 6621 1 1 7 ILE HG23 H -2.751 3.039 -3.522 1.00 . A A . 7 ILE HG23 1 1 18 6622 1 1 7 ILE N N -3.138 0.802 -0.160 1.00 . A A . 7 ILE N 1 1 18 6623 1 1 7 ILE O O -4.441 3.932 -0.966 1.00 . A A . 7 ILE O 1 1 18 6624 1 1 8 TYR C C -6.691 3.894 0.313 1.00 . A A . 8 TYR C 1 1 18 6625 1 1 8 TYR CA C -6.856 2.824 -0.767 1.00 . A A . 8 TYR CA 1 1 18 6626 1 1 8 TYR CB C -7.901 1.793 -0.346 1.00 . A A . 8 TYR CB 1 1 18 6627 1 1 8 TYR CD1 C -9.808 2.697 1.037 1.00 . A A . 8 TYR CD1 1 1 18 6628 1 1 8 TYR CD2 C -9.925 2.883 -1.379 1.00 . A A . 8 TYR CD2 1 1 18 6629 1 1 8 TYR CE1 C -11.052 3.328 1.146 1.00 . A A . 8 TYR CE1 1 1 18 6630 1 1 8 TYR CE2 C -11.169 3.515 -1.268 1.00 . A A . 8 TYR CE2 1 1 18 6631 1 1 8 TYR CG C -9.244 2.474 -0.225 1.00 . A A . 8 TYR CG 1 1 18 6632 1 1 8 TYR CZ C -11.733 3.737 -0.006 1.00 . A A . 8 TYR CZ 1 1 18 6633 1 1 8 TYR H H -5.591 1.085 -0.943 1.00 . A A . 8 TYR H 1 1 18 6634 1 1 8 TYR HA H -7.143 3.271 -1.702 1.00 . A A . 8 TYR HA 1 1 18 6635 1 1 8 TYR HB2 H -7.956 1.014 -1.091 1.00 . A A . 8 TYR HB2 1 1 18 6636 1 1 8 TYR HB3 H -7.627 1.364 0.607 1.00 . A A . 8 TYR HB3 1 1 18 6637 1 1 8 TYR HD1 H -9.285 2.382 1.926 1.00 . A A . 8 TYR HD1 1 1 18 6638 1 1 8 TYR HD2 H -9.491 2.712 -2.352 1.00 . A A . 8 TYR HD2 1 1 18 6639 1 1 8 TYR HE1 H -11.487 3.499 2.120 1.00 . A A . 8 TYR HE1 1 1 18 6640 1 1 8 TYR HE2 H -11.695 3.831 -2.157 1.00 . A A . 8 TYR HE2 1 1 18 6641 1 1 8 TYR HH H -12.982 5.083 -0.529 1.00 . A A . 8 TYR HH 1 1 18 6642 1 1 8 TYR N N -5.584 2.066 -0.917 1.00 . A A . 8 TYR N 1 1 18 6643 1 1 8 TYR O O -6.560 5.066 0.027 1.00 . A A . 8 TYR O 1 1 18 6644 1 1 8 TYR OH O -12.959 4.361 0.103 1.00 . A A . 8 TYR OH 1 1 18 6645 1 1 9 ASN C C -5.185 5.204 2.549 1.00 . A A . 9 ASN C 1 1 18 6646 1 1 9 ASN CA C -6.534 4.483 2.653 1.00 . A A . 9 ASN CA 1 1 18 6647 1 1 9 ASN CB C -6.598 3.651 3.935 1.00 . A A . 9 ASN CB 1 1 18 6648 1 1 9 ASN CG C -8.035 3.625 4.456 1.00 . A A . 9 ASN CG 1 1 18 6649 1 1 9 ASN H H -6.799 2.553 1.761 1.00 . A A . 9 ASN H 1 1 18 6650 1 1 9 ASN HA H -7.343 5.187 2.634 1.00 . A A . 9 ASN HA 1 1 18 6651 1 1 9 ASN HB2 H -6.269 2.643 3.726 1.00 . A A . 9 ASN HB2 1 1 18 6652 1 1 9 ASN HB3 H -5.953 4.092 4.682 1.00 . A A . 9 ASN HB3 1 1 18 6653 1 1 9 ASN HD21 H -7.876 5.367 5.395 1.00 . A A . 9 ASN HD21 1 1 18 6654 1 1 9 ASN HD22 H -9.389 4.607 5.524 1.00 . A A . 9 ASN HD22 1 1 18 6655 1 1 9 ASN N N -6.691 3.497 1.552 1.00 . A A . 9 ASN N 1 1 18 6656 1 1 9 ASN ND2 N -8.469 4.614 5.186 1.00 . A A . 9 ASN ND2 1 1 18 6657 1 1 9 ASN O O -5.038 6.325 2.993 1.00 . A A . 9 ASN O 1 1 18 6658 1 1 9 ASN OD1 O -8.770 2.692 4.199 1.00 . A A . 9 ASN OD1 1 1 18 6659 1 1 10 CYS C C -2.797 6.129 0.639 1.00 . A A . 10 CYS C 1 1 18 6660 1 1 10 CYS CA C -2.864 5.213 1.867 1.00 . A A . 10 CYS CA 1 1 18 6661 1 1 10 CYS CB C -1.874 4.053 1.744 1.00 . A A . 10 CYS CB 1 1 18 6662 1 1 10 CYS H H -4.325 3.668 1.640 1.00 . A A . 10 CYS H 1 1 18 6663 1 1 10 CYS HA H -2.658 5.768 2.754 1.00 . A A . 10 CYS HA 1 1 18 6664 1 1 10 CYS HB2 H -2.236 3.211 2.315 1.00 . A A . 10 CYS HB2 1 1 18 6665 1 1 10 CYS HB3 H -1.775 3.767 0.709 1.00 . A A . 10 CYS HB3 1 1 18 6666 1 1 10 CYS N N -4.196 4.568 1.979 1.00 . A A . 10 CYS N 1 1 18 6667 1 1 10 CYS O O -2.811 7.339 0.756 1.00 . A A . 10 CYS O 1 1 18 6668 1 1 10 CYS SG S -0.260 4.565 2.385 1.00 . A A . 10 CYS SG 1 1 18 6669 1 1 11 MET C C -3.842 7.344 -1.862 1.00 . A A . 11 MET C 1 1 18 6670 1 1 11 MET CA C -2.641 6.400 -1.764 1.00 . A A . 11 MET CA 1 1 18 6671 1 1 11 MET CB C -2.657 5.395 -2.907 1.00 . A A . 11 MET CB 1 1 18 6672 1 1 11 MET CE C 0.591 6.796 -2.460 1.00 . A A . 11 MET CE 1 1 18 6673 1 1 11 MET CG C -1.231 4.902 -3.161 1.00 . A A . 11 MET CG 1 1 18 6674 1 1 11 MET H H -2.704 4.590 -0.606 1.00 . A A . 11 MET H 1 1 18 6675 1 1 11 MET HA H -1.722 6.955 -1.784 1.00 . A A . 11 MET HA 1 1 18 6676 1 1 11 MET HB2 H -3.288 4.561 -2.641 1.00 . A A . 11 MET HB2 1 1 18 6677 1 1 11 MET HB3 H -3.037 5.867 -3.799 1.00 . A A . 11 MET HB3 1 1 18 6678 1 1 11 MET HE1 H 1.636 6.954 -2.690 1.00 . A A . 11 MET HE1 1 1 18 6679 1 1 11 MET HE2 H 0.505 6.054 -1.683 1.00 . A A . 11 MET HE2 1 1 18 6680 1 1 11 MET HE3 H 0.148 7.722 -2.122 1.00 . A A . 11 MET HE3 1 1 18 6681 1 1 11 MET HG2 H -0.771 4.625 -2.221 1.00 . A A . 11 MET HG2 1 1 18 6682 1 1 11 MET HG3 H -1.260 4.047 -3.812 1.00 . A A . 11 MET HG3 1 1 18 6683 1 1 11 MET N N -2.718 5.565 -0.533 1.00 . A A . 11 MET N 1 1 18 6684 1 1 11 MET O O -3.696 8.550 -1.834 1.00 . A A . 11 MET O 1 1 18 6685 1 1 11 MET SD S -0.271 6.223 -3.944 1.00 . A A . 11 MET SD 1 1 18 6686 1 1 12 ASN C C -6.134 8.860 -1.154 1.00 . A A . 12 ASN C 1 1 18 6687 1 1 12 ASN CA C -6.240 7.662 -2.097 1.00 . A A . 12 ASN CA 1 1 18 6688 1 1 12 ASN CB C -7.405 6.759 -1.690 1.00 . A A . 12 ASN CB 1 1 18 6689 1 1 12 ASN CG C -8.675 7.204 -2.418 1.00 . A A . 12 ASN CG 1 1 18 6690 1 1 12 ASN H H -5.106 5.828 -2.012 1.00 . A A . 12 ASN H 1 1 18 6691 1 1 12 ASN HA H -6.372 7.995 -3.109 1.00 . A A . 12 ASN HA 1 1 18 6692 1 1 12 ASN HB2 H -7.175 5.737 -1.954 1.00 . A A . 12 ASN HB2 1 1 18 6693 1 1 12 ASN HB3 H -7.559 6.829 -0.623 1.00 . A A . 12 ASN HB3 1 1 18 6694 1 1 12 ASN HD21 H -8.612 9.052 -1.696 1.00 . A A . 12 ASN HD21 1 1 18 6695 1 1 12 ASN HD22 H -9.915 8.721 -2.732 1.00 . A A . 12 ASN HD22 1 1 18 6696 1 1 12 ASN N N -5.021 6.802 -1.986 1.00 . A A . 12 ASN N 1 1 18 6697 1 1 12 ASN ND2 N -9.103 8.427 -2.269 1.00 . A A . 12 ASN ND2 1 1 18 6698 1 1 12 ASN O O -6.100 9.997 -1.583 1.00 . A A . 12 ASN O 1 1 18 6699 1 1 12 ASN OD1 O -9.283 6.429 -3.129 1.00 . A A . 12 ASN OD1 1 1 18 6700 1 1 13 SER C C -4.955 10.763 0.579 1.00 . A A . 13 SER C 1 1 18 6701 1 1 13 SER CA C -5.970 9.741 1.091 1.00 . A A . 13 SER CA 1 1 18 6702 1 1 13 SER CB C -5.481 9.105 2.391 1.00 . A A . 13 SER CB 1 1 18 6703 1 1 13 SER H H -6.106 7.696 0.446 1.00 . A A . 13 SER H 1 1 18 6704 1 1 13 SER HA H -6.928 10.202 1.241 1.00 . A A . 13 SER HA 1 1 18 6705 1 1 13 SER HB2 H -4.846 8.264 2.166 1.00 . A A . 13 SER HB2 1 1 18 6706 1 1 13 SER HB3 H -4.919 9.835 2.959 1.00 . A A . 13 SER HB3 1 1 18 6707 1 1 13 SER HG H -6.323 8.567 4.061 1.00 . A A . 13 SER HG 1 1 18 6708 1 1 13 SER N N -6.079 8.616 0.123 1.00 . A A . 13 SER N 1 1 18 6709 1 1 13 SER O O -5.298 11.709 -0.103 1.00 . A A . 13 SER O 1 1 18 6710 1 1 13 SER OG O -6.599 8.658 3.146 1.00 . A A . 13 SER OG 1 1 18 6711 1 1 14 GLY C C -1.283 10.896 0.647 1.00 . A A . 14 GLY C 1 1 18 6712 1 1 14 GLY CA C -2.667 11.510 0.427 1.00 . A A . 14 GLY CA 1 1 18 6713 1 1 14 GLY H H -3.461 9.805 1.436 1.00 . A A . 14 GLY H 1 1 18 6714 1 1 14 GLY HA2 H -2.814 11.698 -0.623 1.00 . A A . 14 GLY HA2 1 1 18 6715 1 1 14 GLY HA3 H -2.741 12.434 0.979 1.00 . A A . 14 GLY HA3 1 1 18 6716 1 1 14 GLY N N -3.710 10.571 0.895 1.00 . A A . 14 GLY N 1 1 18 6717 1 1 14 GLY O O -0.293 11.596 0.717 1.00 . A A . 14 GLY O 1 1 18 6718 1 1 15 GLY C C 0.962 9.761 1.915 1.00 . A A . 15 GLY C 1 1 18 6719 1 1 15 GLY CA C 0.108 8.922 0.964 1.00 . A A . 15 GLY CA 1 1 18 6720 1 1 15 GLY H H -2.022 9.048 0.682 1.00 . A A . 15 GLY H 1 1 18 6721 1 1 15 GLY HA2 H -0.052 7.942 1.395 1.00 . A A . 15 GLY HA2 1 1 18 6722 1 1 15 GLY HA3 H 0.619 8.823 0.019 1.00 . A A . 15 GLY HA3 1 1 18 6723 1 1 15 GLY N N -1.210 9.590 0.750 1.00 . A A . 15 GLY N 1 1 18 6724 1 1 15 GLY O O 1.924 10.384 1.510 1.00 . A A . 15 GLY O 1 1 18 6725 1 1 16 GLY C C 2.893 10.437 3.862 1.00 . A A . 16 GLY C 1 1 18 6726 1 1 16 GLY CA C 1.400 10.588 4.154 1.00 . A A . 16 GLY CA 1 1 18 6727 1 1 16 GLY H H -0.168 9.282 3.475 1.00 . A A . 16 GLY H 1 1 18 6728 1 1 16 GLY HA2 H 1.118 11.629 4.071 1.00 . A A . 16 GLY HA2 1 1 18 6729 1 1 16 GLY HA3 H 1.195 10.236 5.155 1.00 . A A . 16 GLY HA3 1 1 18 6730 1 1 16 GLY N N 0.615 9.786 3.174 1.00 . A A . 16 GLY N 1 1 18 6731 1 1 16 GLY O O 3.683 11.316 4.145 1.00 . A A . 16 GLY O 1 1 18 6732 1 1 17 LEU C C 4.929 9.020 1.474 1.00 . A A . 17 LEU C 1 1 18 6733 1 1 17 LEU CA C 4.730 9.120 2.987 1.00 . A A . 17 LEU CA 1 1 18 6734 1 1 17 LEU CB C 5.164 7.804 3.662 1.00 . A A . 17 LEU CB 1 1 18 6735 1 1 17 LEU CD1 C 3.285 6.198 3.276 1.00 . A A . 17 LEU CD1 1 1 18 6736 1 1 17 LEU CD2 C 4.512 6.199 5.443 1.00 . A A . 17 LEU CD2 1 1 18 6737 1 1 17 LEU CG C 3.983 7.075 4.315 1.00 . A A . 17 LEU CG 1 1 18 6738 1 1 17 LEU H H 2.634 8.632 3.078 1.00 . A A . 17 LEU H 1 1 18 6739 1 1 17 LEU HA H 5.311 9.932 3.384 1.00 . A A . 17 LEU HA 1 1 18 6740 1 1 17 LEU HB2 H 5.605 7.158 2.919 1.00 . A A . 17 LEU HB2 1 1 18 6741 1 1 17 LEU HB3 H 5.903 8.025 4.419 1.00 . A A . 17 LEU HB3 1 1 18 6742 1 1 17 LEU HD11 H 2.658 5.476 3.776 1.00 . A A . 17 LEU HD11 1 1 18 6743 1 1 17 LEU HD12 H 4.028 5.682 2.685 1.00 . A A . 17 LEU HD12 1 1 18 6744 1 1 17 LEU HD13 H 2.679 6.817 2.631 1.00 . A A . 17 LEU HD13 1 1 18 6745 1 1 17 LEU HD21 H 3.782 6.155 6.236 1.00 . A A . 17 LEU HD21 1 1 18 6746 1 1 17 LEU HD22 H 5.430 6.623 5.822 1.00 . A A . 17 LEU HD22 1 1 18 6747 1 1 17 LEU HD23 H 4.701 5.207 5.067 1.00 . A A . 17 LEU HD23 1 1 18 6748 1 1 17 LEU HG H 3.282 7.790 4.718 1.00 . A A . 17 LEU HG 1 1 18 6749 1 1 17 LEU N N 3.287 9.329 3.298 1.00 . A A . 17 LEU N 1 1 18 6750 1 1 17 LEU O O 5.342 9.961 0.825 1.00 . A A . 17 LEU O 1 1 18 6751 1 1 18 SER C C 3.853 6.635 -1.076 1.00 . A A . 18 SER C 1 1 18 6752 1 1 18 SER CA C 4.819 7.699 -0.554 1.00 . A A . 18 SER CA 1 1 18 6753 1 1 18 SER CB C 6.258 7.224 -0.706 1.00 . A A . 18 SER CB 1 1 18 6754 1 1 18 SER H H 4.323 7.137 1.455 1.00 . A A . 18 SER H 1 1 18 6755 1 1 18 SER HA H 4.679 8.629 -1.077 1.00 . A A . 18 SER HA 1 1 18 6756 1 1 18 SER HB2 H 6.631 6.902 0.253 1.00 . A A . 18 SER HB2 1 1 18 6757 1 1 18 SER HB3 H 6.290 6.395 -1.397 1.00 . A A . 18 SER HB3 1 1 18 6758 1 1 18 SER HG H 6.981 9.026 -0.569 1.00 . A A . 18 SER HG 1 1 18 6759 1 1 18 SER N N 4.645 7.880 0.912 1.00 . A A . 18 SER N 1 1 18 6760 1 1 18 SER O O 2.908 6.255 -0.414 1.00 . A A . 18 SER O 1 1 18 6761 1 1 18 SER OG O 7.061 8.294 -1.187 1.00 . A A . 18 SER OG 1 1 18 6762 1 1 19 PHE C C 3.829 3.730 -2.639 1.00 . A A . 19 PHE C 1 1 18 6763 1 1 19 PHE CA C 3.208 5.106 -2.844 1.00 . A A . 19 PHE CA 1 1 18 6764 1 1 19 PHE CB C 3.141 5.444 -4.333 1.00 . A A . 19 PHE CB 1 1 18 6765 1 1 19 PHE CD1 C 1.295 3.712 -4.312 1.00 . A A . 19 PHE CD1 1 1 18 6766 1 1 19 PHE CD2 C 2.205 4.432 -6.440 1.00 . A A . 19 PHE CD2 1 1 18 6767 1 1 19 PHE CE1 C 0.419 2.847 -4.979 1.00 . A A . 19 PHE CE1 1 1 18 6768 1 1 19 PHE CE2 C 1.329 3.568 -7.107 1.00 . A A . 19 PHE CE2 1 1 18 6769 1 1 19 PHE CG C 2.189 4.506 -5.042 1.00 . A A . 19 PHE CG 1 1 18 6770 1 1 19 PHE CZ C 0.436 2.775 -6.378 1.00 . A A . 19 PHE CZ 1 1 18 6771 1 1 19 PHE H H 4.868 6.476 -2.766 1.00 . A A . 19 PHE H 1 1 18 6772 1 1 19 PHE HA H 2.227 5.147 -2.406 1.00 . A A . 19 PHE HA 1 1 18 6773 1 1 19 PHE HB2 H 2.799 6.460 -4.452 1.00 . A A . 19 PHE HB2 1 1 18 6774 1 1 19 PHE HB3 H 4.127 5.345 -4.764 1.00 . A A . 19 PHE HB3 1 1 18 6775 1 1 19 PHE HD1 H 1.281 3.767 -3.233 1.00 . A A . 19 PHE HD1 1 1 18 6776 1 1 19 PHE HD2 H 2.893 5.043 -7.005 1.00 . A A . 19 PHE HD2 1 1 18 6777 1 1 19 PHE HE1 H -0.269 2.235 -4.416 1.00 . A A . 19 PHE HE1 1 1 18 6778 1 1 19 PHE HE2 H 1.343 3.512 -8.186 1.00 . A A . 19 PHE HE2 1 1 18 6779 1 1 19 PHE HZ H -0.238 2.108 -6.892 1.00 . A A . 19 PHE HZ 1 1 18 6780 1 1 19 PHE N N 4.095 6.153 -2.259 1.00 . A A . 19 PHE N 1 1 18 6781 1 1 19 PHE O O 3.223 2.833 -2.089 1.00 . A A . 19 PHE O 1 1 18 6782 1 1 20 ILE C C 5.589 1.810 -1.442 1.00 . A A . 20 ILE C 1 1 18 6783 1 1 20 ILE CA C 5.716 2.242 -2.901 1.00 . A A . 20 ILE CA 1 1 18 6784 1 1 20 ILE CB C 7.200 2.440 -3.248 1.00 . A A . 20 ILE CB 1 1 18 6785 1 1 20 ILE CD1 C 7.751 4.806 -3.787 1.00 . A A . 20 ILE CD1 1 1 18 6786 1 1 20 ILE CG1 C 7.363 3.451 -4.383 1.00 . A A . 20 ILE CG1 1 1 18 6787 1 1 20 ILE CG2 C 7.798 1.102 -3.684 1.00 . A A . 20 ILE CG2 1 1 18 6788 1 1 20 ILE H H 5.499 4.312 -3.506 1.00 . A A . 20 ILE H 1 1 18 6789 1 1 20 ILE HA H 5.277 1.504 -3.553 1.00 . A A . 20 ILE HA 1 1 18 6790 1 1 20 ILE HB H 7.725 2.794 -2.372 1.00 . A A . 20 ILE HB 1 1 18 6791 1 1 20 ILE HD11 H 7.345 4.886 -2.788 1.00 . A A . 20 ILE HD11 1 1 18 6792 1 1 20 ILE HD12 H 7.353 5.598 -4.402 1.00 . A A . 20 ILE HD12 1 1 18 6793 1 1 20 ILE HD13 H 8.826 4.885 -3.744 1.00 . A A . 20 ILE HD13 1 1 18 6794 1 1 20 ILE HG12 H 8.138 3.116 -5.057 1.00 . A A . 20 ILE HG12 1 1 18 6795 1 1 20 ILE HG13 H 6.432 3.548 -4.921 1.00 . A A . 20 ILE HG13 1 1 18 6796 1 1 20 ILE HG21 H 8.104 1.164 -4.717 1.00 . A A . 20 ILE HG21 1 1 18 6797 1 1 20 ILE HG22 H 7.059 0.323 -3.574 1.00 . A A . 20 ILE HG22 1 1 18 6798 1 1 20 ILE HG23 H 8.656 0.874 -3.067 1.00 . A A . 20 ILE HG23 1 1 18 6799 1 1 20 ILE N N 5.041 3.565 -3.075 1.00 . A A . 20 ILE N 1 1 18 6800 1 1 20 ILE O O 5.583 0.636 -1.125 1.00 . A A . 20 ILE O 1 1 18 6801 1 1 21 GLN C C 4.060 1.682 1.153 1.00 . A A . 21 GLN C 1 1 18 6802 1 1 21 GLN CA C 5.375 2.417 0.891 1.00 . A A . 21 GLN CA 1 1 18 6803 1 1 21 GLN CB C 5.391 3.760 1.620 1.00 . A A . 21 GLN CB 1 1 18 6804 1 1 21 GLN CD C 7.843 3.912 2.068 1.00 . A A . 21 GLN CD 1 1 18 6805 1 1 21 GLN CG C 6.678 4.510 1.278 1.00 . A A . 21 GLN CG 1 1 18 6806 1 1 21 GLN H H 5.508 3.697 -0.833 1.00 . A A . 21 GLN H 1 1 18 6807 1 1 21 GLN HA H 6.216 1.819 1.202 1.00 . A A . 21 GLN HA 1 1 18 6808 1 1 21 GLN HB2 H 4.539 4.347 1.310 1.00 . A A . 21 GLN HB2 1 1 18 6809 1 1 21 GLN HB3 H 5.346 3.592 2.685 1.00 . A A . 21 GLN HB3 1 1 18 6810 1 1 21 GLN HE21 H 8.791 3.262 0.449 1.00 . A A . 21 GLN HE21 1 1 18 6811 1 1 21 GLN HE22 H 9.565 2.935 1.922 1.00 . A A . 21 GLN HE22 1 1 18 6812 1 1 21 GLN HG2 H 6.876 4.420 0.219 1.00 . A A . 21 GLN HG2 1 1 18 6813 1 1 21 GLN HG3 H 6.567 5.551 1.538 1.00 . A A . 21 GLN HG3 1 1 18 6814 1 1 21 GLN N N 5.495 2.759 -0.551 1.00 . A A . 21 GLN N 1 1 18 6815 1 1 21 GLN NE2 N 8.814 3.320 1.427 1.00 . A A . 21 GLN NE2 1 1 18 6816 1 1 21 GLN O O 3.916 0.971 2.127 1.00 . A A . 21 GLN O 1 1 18 6817 1 1 21 GLN OE1 O 7.872 3.982 3.280 1.00 . A A . 21 GLN OE1 1 1 18 6818 1 1 22 CYS C C 1.435 0.351 -0.761 1.00 . A A . 22 CYS C 1 1 18 6819 1 1 22 CYS CA C 1.791 1.168 0.483 1.00 . A A . 22 CYS CA 1 1 18 6820 1 1 22 CYS CB C 0.785 2.299 0.678 1.00 . A A . 22 CYS CB 1 1 18 6821 1 1 22 CYS H H 3.232 2.431 -0.484 1.00 . A A . 22 CYS H 1 1 18 6822 1 1 22 CYS HA H 1.818 0.537 1.355 1.00 . A A . 22 CYS HA 1 1 18 6823 1 1 22 CYS HB2 H 1.037 3.120 0.022 1.00 . A A . 22 CYS HB2 1 1 18 6824 1 1 22 CYS HB3 H -0.203 1.941 0.443 1.00 . A A . 22 CYS HB3 1 1 18 6825 1 1 22 CYS N N 3.098 1.851 0.290 1.00 . A A . 22 CYS N 1 1 18 6826 1 1 22 CYS O O 0.802 -0.683 -0.675 1.00 . A A . 22 CYS O 1 1 18 6827 1 1 22 CYS SG S 0.832 2.865 2.397 1.00 . A A . 22 CYS SG 1 1 18 6828 1 1 23 LYS C C 1.671 -1.441 -2.948 1.00 . A A . 23 LYS C 1 1 18 6829 1 1 23 LYS CA C 1.521 0.064 -3.171 1.00 . A A . 23 LYS CA 1 1 18 6830 1 1 23 LYS CB C 2.546 0.559 -4.193 1.00 . A A . 23 LYS CB 1 1 18 6831 1 1 23 LYS CD C 1.028 -0.401 -5.931 1.00 . A A . 23 LYS CD 1 1 18 6832 1 1 23 LYS CE C 1.008 -0.649 -7.441 1.00 . A A . 23 LYS CE 1 1 18 6833 1 1 23 LYS CG C 2.477 -0.314 -5.447 1.00 . A A . 23 LYS CG 1 1 18 6834 1 1 23 LYS H H 2.342 1.649 -1.962 1.00 . A A . 23 LYS H 1 1 18 6835 1 1 23 LYS HA H 0.526 0.297 -3.507 1.00 . A A . 23 LYS HA 1 1 18 6836 1 1 23 LYS HB2 H 2.327 1.584 -4.454 1.00 . A A . 23 LYS HB2 1 1 18 6837 1 1 23 LYS HB3 H 3.536 0.499 -3.767 1.00 . A A . 23 LYS HB3 1 1 18 6838 1 1 23 LYS HD2 H 0.528 -1.213 -5.424 1.00 . A A . 23 LYS HD2 1 1 18 6839 1 1 23 LYS HD3 H 0.520 0.527 -5.714 1.00 . A A . 23 LYS HD3 1 1 18 6840 1 1 23 LYS HE2 H -0.009 -0.622 -7.810 1.00 . A A . 23 LYS HE2 1 1 18 6841 1 1 23 LYS HE3 H 1.615 0.081 -7.951 1.00 . A A . 23 LYS HE3 1 1 18 6842 1 1 23 LYS HG2 H 3.092 0.121 -6.222 1.00 . A A . 23 LYS HG2 1 1 18 6843 1 1 23 LYS HG3 H 2.837 -1.306 -5.215 1.00 . A A . 23 LYS HG3 1 1 18 6844 1 1 23 LYS HZ1 H 2.623 -1.960 -7.523 1.00 . A A . 23 LYS HZ1 1 1 18 6845 1 1 23 LYS HZ2 H 1.342 -2.374 -8.558 1.00 . A A . 23 LYS HZ2 1 1 18 6846 1 1 23 LYS HZ3 H 1.209 -2.646 -6.887 1.00 . A A . 23 LYS HZ3 1 1 18 6847 1 1 23 LYS N N 1.836 0.811 -1.917 1.00 . A A . 23 LYS N 1 1 18 6848 1 1 23 LYS NZ N 1.588 -2.010 -7.615 1.00 . A A . 23 LYS NZ 1 1 18 6849 1 1 23 LYS O O 0.756 -2.208 -3.174 1.00 . A A . 23 LYS O 1 1 18 6850 1 1 24 THR C C 3.854 -3.546 -0.989 1.00 . A A . 24 THR C 1 1 18 6851 1 1 24 THR CA C 3.032 -3.324 -2.264 1.00 . A A . 24 THR CA 1 1 18 6852 1 1 24 THR CB C 3.804 -3.818 -3.489 1.00 . A A . 24 THR CB 1 1 18 6853 1 1 24 THR CG2 C 2.821 -4.195 -4.599 1.00 . A A . 24 THR CG2 1 1 18 6854 1 1 24 THR H H 3.540 -1.229 -2.331 1.00 . A A . 24 THR H 1 1 18 6855 1 1 24 THR HA H 2.085 -3.836 -2.196 1.00 . A A . 24 THR HA 1 1 18 6856 1 1 24 THR HB H 4.387 -4.687 -3.221 1.00 . A A . 24 THR HB 1 1 18 6857 1 1 24 THR HG1 H 5.027 -2.338 -3.178 1.00 . A A . 24 THR HG1 1 1 18 6858 1 1 24 THR HG21 H 3.174 -3.799 -5.540 1.00 . A A . 24 THR HG21 1 1 18 6859 1 1 24 THR HG22 H 1.850 -3.781 -4.375 1.00 . A A . 24 THR HG22 1 1 18 6860 1 1 24 THR HG23 H 2.748 -5.270 -4.666 1.00 . A A . 24 THR HG23 1 1 18 6861 1 1 24 THR N N 2.819 -1.867 -2.504 1.00 . A A . 24 THR N 1 1 18 6862 1 1 24 THR O O 4.197 -4.661 -0.650 1.00 . A A . 24 THR O 1 1 18 6863 1 1 24 THR OG1 O 4.669 -2.789 -3.947 1.00 . A A . 24 THR OG1 1 1 18 6864 1 1 25 MET C C 4.143 -3.338 2.050 1.00 . A A . 25 MET C 1 1 18 6865 1 1 25 MET CA C 4.976 -2.660 0.961 1.00 . A A . 25 MET CA 1 1 18 6866 1 1 25 MET CB C 5.348 -1.240 1.377 1.00 . A A . 25 MET CB 1 1 18 6867 1 1 25 MET CE C 7.062 0.194 3.399 1.00 . A A . 25 MET CE 1 1 18 6868 1 1 25 MET CG C 6.784 -0.941 0.944 1.00 . A A . 25 MET CG 1 1 18 6869 1 1 25 MET H H 3.901 -1.607 -0.560 1.00 . A A . 25 MET H 1 1 18 6870 1 1 25 MET HA H 5.862 -3.224 0.756 1.00 . A A . 25 MET HA 1 1 18 6871 1 1 25 MET HB2 H 4.677 -0.543 0.900 1.00 . A A . 25 MET HB2 1 1 18 6872 1 1 25 MET HB3 H 5.269 -1.143 2.449 1.00 . A A . 25 MET HB3 1 1 18 6873 1 1 25 MET HE1 H 6.820 1.056 2.791 1.00 . A A . 25 MET HE1 1 1 18 6874 1 1 25 MET HE2 H 7.717 0.495 4.200 1.00 . A A . 25 MET HE2 1 1 18 6875 1 1 25 MET HE3 H 6.156 -0.224 3.816 1.00 . A A . 25 MET HE3 1 1 18 6876 1 1 25 MET HG2 H 7.091 -1.660 0.198 1.00 . A A . 25 MET HG2 1 1 18 6877 1 1 25 MET HG3 H 6.832 0.053 0.526 1.00 . A A . 25 MET HG3 1 1 18 6878 1 1 25 MET N N 4.177 -2.498 -0.278 1.00 . A A . 25 MET N 1 1 18 6879 1 1 25 MET O O 4.279 -4.517 2.307 1.00 . A A . 25 MET O 1 1 18 6880 1 1 25 MET SD S 7.884 -1.052 2.377 1.00 . A A . 25 MET SD 1 1 18 6881 1 1 26 CYS C C 1.875 -4.544 3.298 1.00 . A A . 26 CYS C 1 1 18 6882 1 1 26 CYS CA C 2.438 -3.198 3.760 1.00 . A A . 26 CYS CA 1 1 18 6883 1 1 26 CYS CB C 1.312 -2.191 3.981 1.00 . A A . 26 CYS CB 1 1 18 6884 1 1 26 CYS H H 3.188 -1.650 2.464 1.00 . A A . 26 CYS H 1 1 18 6885 1 1 26 CYS HA H 3.008 -3.318 4.668 1.00 . A A . 26 CYS HA 1 1 18 6886 1 1 26 CYS HB2 H 0.644 -2.558 4.744 1.00 . A A . 26 CYS HB2 1 1 18 6887 1 1 26 CYS HB3 H 1.730 -1.245 4.293 1.00 . A A . 26 CYS HB3 1 1 18 6888 1 1 26 CYS N N 3.282 -2.599 2.689 1.00 . A A . 26 CYS N 1 1 18 6889 1 1 26 CYS O O 1.162 -4.627 2.318 1.00 . A A . 26 CYS O 1 1 18 6890 1 1 26 CYS SG S 0.397 -1.965 2.436 1.00 . A A . 26 CYS SG 1 1 18 6891 1 1 27 TYR C C 0.697 -7.467 4.645 1.00 . A A . 27 TYR C 1 1 18 6892 1 1 27 TYR CA C 1.678 -6.941 3.593 1.00 . A A . 27 TYR CA 1 1 18 6893 1 1 27 TYR CB C 2.918 -7.833 3.520 1.00 . A A . 27 TYR CB 1 1 18 6894 1 1 27 TYR CD1 C 2.263 -10.257 3.306 1.00 . A A . 27 TYR CD1 1 1 18 6895 1 1 27 TYR CD2 C 2.683 -8.978 1.288 1.00 . A A . 27 TYR CD2 1 1 18 6896 1 1 27 TYR CE1 C 1.981 -11.387 2.530 1.00 . A A . 27 TYR CE1 1 1 18 6897 1 1 27 TYR CE2 C 2.402 -10.109 0.513 1.00 . A A . 27 TYR CE2 1 1 18 6898 1 1 27 TYR CG C 2.614 -9.052 2.685 1.00 . A A . 27 TYR CG 1 1 18 6899 1 1 27 TYR CZ C 2.051 -11.314 1.134 1.00 . A A . 27 TYR CZ 1 1 18 6900 1 1 27 TYR H H 2.771 -5.513 4.781 1.00 . A A . 27 TYR H 1 1 18 6901 1 1 27 TYR HA H 1.204 -6.889 2.627 1.00 . A A . 27 TYR HA 1 1 18 6902 1 1 27 TYR HB2 H 3.731 -7.281 3.070 1.00 . A A . 27 TYR HB2 1 1 18 6903 1 1 27 TYR HB3 H 3.199 -8.142 4.517 1.00 . A A . 27 TYR HB3 1 1 18 6904 1 1 27 TYR HD1 H 2.209 -10.313 4.383 1.00 . A A . 27 TYR HD1 1 1 18 6905 1 1 27 TYR HD2 H 2.955 -8.049 0.809 1.00 . A A . 27 TYR HD2 1 1 18 6906 1 1 27 TYR HE1 H 1.710 -12.317 3.010 1.00 . A A . 27 TYR HE1 1 1 18 6907 1 1 27 TYR HE2 H 2.456 -10.053 -0.564 1.00 . A A . 27 TYR HE2 1 1 18 6908 1 1 27 TYR HH H 2.595 -12.910 0.237 1.00 . A A . 27 TYR HH 1 1 18 6909 1 1 27 TYR N N 2.194 -5.601 3.995 1.00 . A A . 27 TYR N 1 1 18 6910 1 1 27 TYR O O -0.154 -6.703 5.067 1.00 . A A . 27 TYR O 1 1 18 6911 1 1 27 TYR OXT O 0.815 -8.625 5.009 1.00 . A A . 27 TYR OXT 1 1 18 6912 1 1 27 TYR OH O 1.774 -12.429 0.371 1.00 . A A . 27 TYR OH 1 1 stop_ save_
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