NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
387013 | 1m4e | 5501 | cing | 4-filtered-FRED | STAR | entry | full | 254 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1m4e # This FRED archive file contains, for PDB entry <1m4e>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1m4e _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1m4e _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2195.77 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 $Hepcidin A . 1 1 stop_ save_ save_Hepcidin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Hepcidin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ICIFCCGCCHRSKCGMCCKT _Entity.Number_of_monomers 20 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 ILE . 1 1 2 CYS . 1 1 3 ILE . 1 1 4 PHE . 1 1 5 CYS . 1 1 6 CYS . 1 1 7 GLY . 1 1 8 CYS . 1 1 9 CYS . 1 1 10 HIS . 1 1 11 ARG . 1 1 12 SER . 1 1 13 LYS . 1 1 14 CYS . 1 1 15 GLY . 1 1 16 MET . 1 1 17 CYS . 1 1 18 CYS . 1 1 19 LYS . 1 1 20 THR . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ILE 1 1 1 1 CYS 2 2 1 1 ILE 3 3 1 1 PHE 4 4 1 1 CYS 5 5 1 1 CYS 6 6 1 1 GLY 7 7 1 1 CYS 8 8 1 1 CYS 9 9 1 1 HIS 10 10 1 1 ARG 11 11 1 1 SER 12 12 1 1 LYS 13 13 1 1 CYS 14 14 1 1 GLY 15 15 1 1 MET 16 16 1 1 CYS 17 17 1 1 CYS 18 18 1 1 LYS 19 19 1 1 THR 20 20 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 2 . OR 1 1 165 2 . 3 . 1 1 165 3 . . . 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 2 . OR 1 1 196 2 . 3 . 1 1 196 3 . . . 1 1 197 1 2 . OR 1 1 197 2 . 3 . 1 1 197 3 . . . 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 2 . OR 1 1 222 2 . 3 . 1 1 222 3 . . . 1 1 223 1 . . . 1 1 224 1 2 . OR 1 1 224 2 . 3 . 1 1 224 3 . . . 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 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 ILE HA . 1 . HA 1 1 1 1 2 1 1 1 ILE HB . 1 . HB 1 1 2 1 1 1 1 1 ILE HA . 1 . HA 1 1 2 1 2 1 1 1 ILE MD . 1 . HD1% 1 1 3 1 1 1 1 1 ILE HA . 1 . HA 1 1 3 1 2 1 1 1 ILE HG12 . 1 . HG12 1 1 4 1 1 1 1 1 ILE HA . 1 . HA 1 1 4 1 2 1 1 1 ILE HG13 . 1 . HG11 1 1 5 1 1 1 1 1 ILE HA . 1 . HA 1 1 5 1 2 1 1 1 ILE MG . 1 . HG2% 1 1 6 1 1 1 1 1 ILE HA . 1 . HA 1 1 6 1 2 1 1 2 CYS H . 2 . HN 1 1 7 1 1 1 1 1 ILE HA . 1 . HA 1 1 7 1 2 1 1 2 CYS HA . 2 . HA 1 1 8 1 1 1 1 1 ILE HA . 1 . HA 1 1 8 1 2 1 1 2 CYS QB . 2 . HB2 1 1 9 1 1 1 1 1 ILE HB . 1 . HB 1 1 9 1 2 1 1 1 ILE MD . 1 . HD1% 1 1 10 1 1 1 1 1 ILE HB . 1 . HB 1 1 10 1 2 1 1 1 ILE HG12 . 1 . HG12 1 1 11 1 1 1 1 1 ILE HB . 1 . HB 1 1 11 1 2 1 1 1 ILE HG13 . 1 . HG11 1 1 12 1 1 1 1 1 ILE HB . 1 . HB 1 1 12 1 2 1 1 1 ILE MG . 1 . HG2% 1 1 13 1 1 1 1 1 ILE HB . 1 . HB 1 1 13 1 2 1 1 2 CYS H . 2 . HN 1 1 14 1 1 1 1 1 ILE MD . 1 . HD1% 1 1 14 1 2 1 1 1 ILE HG12 . 1 . HG12 1 1 15 1 1 1 1 1 ILE MD . 1 . HD1% 1 1 15 1 2 1 1 1 ILE HG13 . 1 . HG11 1 1 16 1 1 1 1 1 ILE MD . 1 . HD1% 1 1 16 1 2 1 1 2 CYS H . 2 . HN 1 1 17 1 1 1 1 1 ILE HG12 . 1 . HG12 1 1 17 1 2 1 1 2 CYS H . 2 . HN 1 1 18 1 1 1 1 1 ILE HG13 . 1 . HG11 1 1 18 1 2 1 1 1 ILE MG . 1 . HG2% 1 1 19 1 1 1 1 1 ILE HG13 . 1 . HG11 1 1 19 1 2 1 1 2 CYS H . 2 . HN 1 1 20 1 1 1 1 1 ILE MG . 1 . HG2% 1 1 20 1 2 1 1 2 CYS H . 2 . HN 1 1 21 1 1 1 1 2 CYS H . 2 . HN 1 1 21 1 2 1 1 2 CYS HA . 2 . HA 1 1 22 1 1 1 1 2 CYS H . 2 . HN 1 1 22 1 2 1 1 2 CYS QB . 2 . HB2 1 1 23 1 1 1 1 2 CYS H . 2 . HN 1 1 23 1 2 1 1 3 ILE H . 3 . HN 1 1 24 1 1 1 1 2 CYS HA . 2 . HA 1 1 24 1 2 1 1 2 CYS QB . 2 . HB2 1 1 25 1 1 1 1 2 CYS HA . 2 . HA 1 1 25 1 2 1 1 3 ILE H . 3 . HN 1 1 26 1 1 1 1 2 CYS HA . 2 . HA 1 1 26 1 1 1 1 18 CYS HA . 18 . HA 1 1 26 1 2 1 1 3 ILE H . 3 . HN 1 1 27 1 1 1 1 2 CYS HA . 2 . HA 1 1 27 1 2 1 1 3 ILE HA . 3 . HA 1 1 28 1 1 1 1 2 CYS HA . 2 . HA 1 1 28 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 29 1 1 1 1 2 CYS HA . 2 . HA 1 1 29 1 2 1 1 16 MET QB . 16 . HB2 1 1 30 1 1 1 1 2 CYS HA . 2 . HA 1 1 30 1 2 1 1 17 CYS H . 17 . HN 1 1 31 1 1 1 1 2 CYS QB . 2 . HB2 1 1 31 1 2 1 1 3 ILE H . 3 . HN 1 1 32 1 1 1 1 2 CYS QB . 2 . HB2 1 1 32 1 2 1 1 16 MET ME . 16 . HE% 1 1 33 1 1 1 1 2 CYS QB . 2 . HB2 1 1 33 1 2 1 1 17 CYS H . 17 . HN 1 1 34 1 1 1 1 3 ILE H . 3 . HN 1 1 34 1 2 1 1 3 ILE HA . 3 . HA 1 1 35 1 1 1 1 3 ILE H . 3 . HN 1 1 35 1 2 1 1 3 ILE HB . 3 . HB 1 1 36 1 1 1 1 3 ILE H . 3 . HN 1 1 36 1 2 1 1 3 ILE MD . 3 . HD1% 1 1 36 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 37 1 1 1 1 3 ILE H . 3 . HN 1 1 37 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 38 1 1 1 1 3 ILE H . 3 . HN 1 1 38 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1 39 1 1 1 1 3 ILE H . 3 . HN 1 1 39 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 40 1 1 1 1 3 ILE H . 3 . HN 1 1 40 1 2 1 1 4 PHE QB . 4 . HB2 1 1 41 1 1 1 1 3 ILE H . 3 . HN 1 1 41 1 2 1 1 16 MET HA . 16 . HA 1 1 42 1 1 1 1 3 ILE H . 3 . HN 1 1 42 1 2 1 1 17 CYS H . 17 . HN 1 1 43 1 1 1 1 3 ILE H . 3 . HN 1 1 43 1 2 1 1 17 CYS QB . 17 . HB2 1 1 44 1 1 1 1 3 ILE HA . 3 . HA 1 1 44 1 2 1 1 3 ILE HB . 3 . HB 1 1 45 1 1 1 1 3 ILE HA . 3 . HA 1 1 45 1 2 1 1 3 ILE MD . 3 . HD1% 1 1 45 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 46 1 1 1 1 3 ILE HA . 3 . HA 1 1 46 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 47 1 1 1 1 3 ILE HA . 3 . HA 1 1 47 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 48 1 1 1 1 3 ILE HA . 3 . HA 1 1 48 1 2 1 1 4 PHE H . 4 . HN 1 1 49 1 1 1 1 3 ILE HA . 3 . HA 1 1 49 1 2 1 1 4 PHE QB . 4 . HB2 1 1 50 1 1 1 1 3 ILE HB . 3 . HB 1 1 50 1 2 1 1 3 ILE MD . 3 . HD1% 1 1 51 1 1 1 1 3 ILE HB . 3 . HB 1 1 51 1 2 1 1 3 ILE MD . 3 . HD1% 1 1 51 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 52 1 1 1 1 3 ILE HB . 3 . HB 1 1 52 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 53 1 1 1 1 3 ILE HB . 3 . HB 1 1 53 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1 54 1 1 1 1 3 ILE HB . 3 . HB 1 1 54 1 2 1 1 3 ILE MG . 3 . HG2% 1 1 55 1 1 1 1 3 ILE HB . 3 . HB 1 1 55 1 2 1 1 4 PHE H . 4 . HN 1 1 56 1 1 1 1 3 ILE HB . 3 . HB 1 1 56 1 2 1 1 4 PHE QB . 4 . HB2 1 1 57 1 1 1 1 3 ILE MD . 3 . HD1% 1 1 57 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 58 1 1 1 1 3 ILE MD . 3 . HD1% 1 1 58 1 1 1 1 3 ILE MG . 3 . HG2% 1 1 58 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 59 1 1 1 1 3 ILE MD . 3 . HD1% 1 1 59 1 1 1 1 3 ILE MG . 3 . HG2% 1 1 59 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1 60 1 1 1 1 3 ILE MD . 3 . HD1% 1 1 60 1 1 1 1 3 ILE MG . 3 . HG2% 1 1 60 1 2 1 1 4 PHE H . 4 . HN 1 1 61 1 1 1 1 3 ILE MD . 3 . HD1% 1 1 61 1 2 1 1 5 CYS QB . 5 . HB2 1 1 62 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1 62 1 2 1 1 4 PHE H . 4 . HN 1 1 63 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1 63 1 2 1 1 5 CYS QB . 5 . HB2 1 1 64 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1 64 1 2 1 1 17 CYS H . 17 . HN 1 1 65 1 1 1 1 3 ILE HG13 . 3 . HG11 1 1 65 1 2 1 1 4 PHE H . 4 . HN 1 1 66 1 1 1 1 3 ILE HG13 . 3 . HG11 1 1 66 1 2 1 1 4 PHE QB . 4 . HB2 1 1 67 1 1 1 1 3 ILE HG13 . 3 . HG11 1 1 67 1 2 1 1 17 CYS H . 17 . HN 1 1 68 1 1 1 1 3 ILE MG . 3 . HG2% 1 1 68 1 2 1 1 4 PHE H . 4 . HN 1 1 69 1 1 1 1 3 ILE MG . 3 . HG2% 1 1 69 1 2 1 1 4 PHE QB . 4 . HB2 1 1 70 1 1 1 1 4 PHE H . 4 . HN 1 1 70 1 2 1 1 4 PHE QB . 4 . HB2 1 1 71 1 1 1 1 4 PHE H . 4 . HN 1 1 71 1 2 1 1 4 PHE QD . 4 . HD% 1 1 72 1 1 1 1 4 PHE H . 4 . HN 1 1 72 1 2 1 1 5 CYS H . 5 . HN 1 1 73 1 1 1 1 4 PHE H . 4 . HN 1 1 73 1 2 1 1 16 MET HA . 16 . HA 1 1 74 1 1 1 1 4 PHE HA . 4 . HA 1 1 74 1 2 1 1 4 PHE QB . 4 . HB2 1 1 75 1 1 1 1 4 PHE HA . 4 . HA 1 1 75 1 2 1 1 4 PHE QD . 4 . HD% 1 1 76 1 1 1 1 4 PHE HA . 4 . HA 1 1 76 1 2 1 1 4 PHE QE . 4 . HE% 1 1 77 1 1 1 1 4 PHE HA . 4 . HA 1 1 77 1 2 1 1 5 CYS H . 5 . HN 1 1 78 1 1 1 1 4 PHE HA . 4 . HA 1 1 78 1 2 1 1 16 MET H . 16 . HN 1 1 79 1 1 1 1 4 PHE HA . 4 . HA 1 1 79 1 2 1 1 17 CYS H . 17 . HN 1 1 80 1 1 1 1 4 PHE QB . 4 . HB2 1 1 80 1 2 1 1 4 PHE QD . 4 . HD% 1 1 81 1 1 1 1 4 PHE QB . 4 . HB2 1 1 81 1 2 1 1 4 PHE QE . 4 . HE% 1 1 82 1 1 1 1 4 PHE QB . 4 . HB2 1 1 82 1 2 1 1 5 CYS H . 5 . HN 1 1 83 1 1 1 1 4 PHE QB . 4 . HB2 1 1 83 1 2 1 1 16 MET H . 16 . HN 1 1 84 1 1 1 1 4 PHE QB . 4 . HB2 1 1 84 1 2 1 1 16 MET HA . 16 . HA 1 1 85 1 1 1 1 4 PHE QB . 4 . HB2 1 1 85 1 2 1 1 16 MET ME . 16 . HE% 1 1 86 1 1 1 1 4 PHE QD . 4 . HD% 1 1 86 1 2 1 1 5 CYS H . 5 . HN 1 1 87 1 1 1 1 4 PHE QD . 4 . HD% 1 1 87 1 2 1 1 14 CYS QB . 14 . HB2 1 1 88 1 1 1 1 4 PHE QD . 4 . HD% 1 1 88 1 2 1 1 15 GLY H . 15 . HN 1 1 89 1 1 1 1 4 PHE QD . 4 . HD% 1 1 89 1 2 1 1 15 GLY QA . 15 . HA2 1 1 90 1 1 1 1 4 PHE QD . 4 . HD% 1 1 90 1 2 1 1 16 MET H . 16 . HN 1 1 91 1 1 1 1 4 PHE QD . 4 . HD% 1 1 91 1 2 1 1 16 MET HA . 16 . HA 1 1 92 1 1 1 1 4 PHE QD . 4 . HD% 1 1 92 1 2 1 1 16 MET ME . 16 . HE% 1 1 93 1 1 1 1 4 PHE QD . 4 . HD% 1 1 93 1 2 1 1 16 MET QG . 16 . HG2 1 1 94 1 1 1 1 4 PHE QE . 4 . HE% 1 1 94 1 2 1 1 5 CYS H . 5 . HN 1 1 95 1 1 1 1 4 PHE QE . 4 . HE% 1 1 95 1 2 1 1 14 CYS QB . 14 . HB2 1 1 96 1 1 1 1 4 PHE QE . 4 . HE% 1 1 96 1 2 1 1 15 GLY H . 15 . HN 1 1 97 1 1 1 1 4 PHE QE . 4 . HE% 1 1 97 1 2 1 1 15 GLY QA . 15 . HA2 1 1 98 1 1 1 1 4 PHE QE . 4 . HE% 1 1 98 1 2 1 1 16 MET H . 16 . HN 1 1 99 1 1 1 1 4 PHE QE . 4 . HE% 1 1 99 1 2 1 1 16 MET QG . 16 . HG2 1 1 100 1 1 1 1 4 PHE HZ . 4 . HZ 1 1 100 1 2 1 1 14 CYS QB . 14 . HB2 1 1 101 1 1 1 1 4 PHE HZ . 4 . HZ 1 1 101 1 2 1 1 15 GLY QA . 15 . HA2 1 1 102 1 1 1 1 5 CYS H . 5 . HN 1 1 102 1 2 1 1 5 CYS QB . 5 . HB2 1 1 103 1 1 1 1 5 CYS H . 5 . HN 1 1 103 1 2 1 1 14 CYS HA . 14 . HA 1 1 104 1 1 1 1 5 CYS H . 5 . HN 1 1 104 1 2 1 1 14 CYS QB . 14 . HB2 1 1 105 1 1 1 1 5 CYS H . 5 . HN 1 1 105 1 2 1 1 15 GLY H . 15 . HN 1 1 106 1 1 1 1 5 CYS H . 5 . HN 1 1 106 1 2 1 1 16 MET HA . 16 . HA 1 1 107 1 1 1 1 5 CYS H . 5 . HN 1 1 107 1 2 1 1 17 CYS H . 17 . HN 1 1 108 1 1 1 1 5 CYS H . 5 . HN 1 1 108 1 2 1 1 17 CYS QB . 17 . HB2 1 1 109 1 1 1 1 5 CYS HA . 5 . HA 1 1 109 1 2 1 1 5 CYS QB . 5 . HB2 1 1 110 1 1 1 1 5 CYS HA . 5 . HA 1 1 110 1 2 1 1 6 CYS H . 6 . HN 1 1 111 1 1 1 1 5 CYS QB . 5 . HB2 1 1 111 1 2 1 1 6 CYS H . 6 . HN 1 1 112 1 1 1 1 5 CYS QB . 5 . HB2 1 1 112 1 1 1 1 6 CYS QB . 6 . HB2 1 1 112 1 2 1 1 6 CYS H . 6 . HN 1 1 113 1 1 1 1 5 CYS QB . 5 . HB2 1 1 113 1 2 1 1 6 CYS HA . 6 . HA 1 1 114 1 1 1 1 5 CYS QB . 5 . HB2 1 1 114 1 2 1 1 17 CYS QB . 17 . HB2 1 1 115 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 115 1 1 1 1 6 CYS QB . 6 . HB2 1 1 115 1 2 1 1 6 CYS H . 6 . HN 1 1 116 1 1 1 1 6 CYS H . 6 . HN 1 1 116 1 2 1 1 6 CYS HA . 6 . HA 1 1 117 1 1 1 1 6 CYS H . 6 . HN 1 1 117 1 2 1 1 6 CYS QB . 6 . HB2 1 1 118 1 1 1 1 6 CYS H . 6 . HN 1 1 118 1 2 1 1 7 GLY H . 7 . HN 1 1 119 1 1 1 1 6 CYS H . 6 . HN 1 1 119 1 2 1 1 14 CYS QB . 14 . HB2 1 1 120 1 1 1 1 6 CYS HA . 6 . HA 1 1 120 1 2 1 1 6 CYS QB . 6 . HB2 1 1 121 1 1 1 1 6 CYS HA . 6 . HA 1 1 121 1 2 1 1 7 GLY H . 7 . HN 1 1 122 1 1 1 1 6 CYS HA . 6 . HA 1 1 122 1 2 1 1 7 GLY QA . 7 . HA2 1 1 123 1 1 1 1 6 CYS HA . 6 . HA 1 1 123 1 2 1 1 14 CYS H . 14 . HN 1 1 124 1 1 1 1 6 CYS HA . 6 . HA 1 1 124 1 2 1 1 14 CYS HA . 14 . HA 1 1 125 1 1 1 1 6 CYS HA . 6 . HA 1 1 125 1 2 1 1 14 CYS QB . 14 . HB2 1 1 126 1 1 1 1 6 CYS HA . 6 . HA 1 1 126 1 2 1 1 15 GLY H . 15 . HN 1 1 127 1 1 1 1 6 CYS QB . 6 . HB2 1 1 127 1 2 1 1 7 GLY H . 7 . HN 1 1 128 1 1 1 1 6 CYS QB . 6 . HB2 1 1 128 1 2 1 1 7 GLY QA . 7 . HA2 1 1 129 1 1 1 1 6 CYS QB . 6 . HB2 1 1 129 1 2 1 1 14 CYS HA . 14 . HA 1 1 130 1 1 1 1 6 CYS QB . 6 . HB2 1 1 130 1 2 1 1 14 CYS QB . 14 . HB2 1 1 131 1 1 1 1 7 GLY H . 7 . HN 1 1 131 1 2 1 1 7 GLY QA . 7 . HA2 1 1 132 1 1 1 1 7 GLY H . 7 . HN 1 1 132 1 2 1 1 8 CYS H . 8 . HN 1 1 133 1 1 1 1 7 GLY H . 7 . HN 1 1 133 1 2 1 1 12 SER HA . 12 . HA 1 1 134 1 1 1 1 7 GLY H . 7 . HN 1 1 134 1 2 1 1 13 LYS H . 13 . HN 1 1 135 1 1 1 1 7 GLY H . 7 . HN 1 1 135 1 2 1 1 14 CYS HA . 14 . HA 1 1 136 1 1 1 1 7 GLY QA . 7 . HA2 1 1 136 1 2 1 1 8 CYS H . 8 . HN 1 1 137 1 1 1 1 7 GLY QA . 7 . HA2 1 1 137 1 2 1 1 8 CYS HA . 8 . HA 1 1 138 1 1 1 1 7 GLY QA . 7 . HA2 1 1 138 1 2 1 1 11 ARG HA . 11 . HA 1 1 139 1 1 1 1 7 GLY QA . 7 . HA2 1 1 139 1 2 1 1 12 SER H . 12 . HN 1 1 140 1 1 1 1 7 GLY QA . 7 . HA2 1 1 140 1 2 1 1 12 SER HA . 12 . HA 1 1 141 1 1 1 1 7 GLY QA . 7 . HA2 1 1 141 1 2 1 1 12 SER QB . 12 . HB2 1 1 142 1 1 1 1 7 GLY QA . 7 . HA2 1 1 142 1 2 1 1 13 LYS H . 13 . HN 1 1 143 1 1 1 1 8 CYS H . 8 . HN 1 1 143 1 2 1 1 8 CYS QB . 8 . HB2 1 1 144 1 1 1 1 8 CYS H . 8 . HN 1 1 144 1 1 1 1 11 ARG H . 11 . HN 1 1 144 1 2 1 1 10 HIS H . 10 . HN 1 1 145 1 1 1 1 8 CYS HA . 8 . HA 1 1 145 1 2 1 1 8 CYS QB . 8 . HB2 1 1 146 1 1 1 1 8 CYS HA . 8 . HA 1 1 146 1 2 1 1 9 CYS H . 9 . HN 1 1 147 1 1 1 1 8 CYS HA . 8 . HA 1 1 147 1 2 1 1 10 HIS H . 10 . HN 1 1 148 1 1 1 1 8 CYS QB . 8 . HB2 1 1 148 1 2 1 1 9 CYS H . 9 . HN 1 1 149 1 1 1 1 9 CYS H . 9 . HN 1 1 149 1 2 1 1 10 HIS H . 10 . HN 1 1 150 1 1 1 1 9 CYS HA . 9 . HA 1 1 150 1 2 1 1 10 HIS H . 10 . HN 1 1 151 1 1 1 1 9 CYS QB . 9 . HB2 1 1 151 1 2 1 1 10 HIS H . 10 . HN 1 1 152 1 1 1 1 10 HIS H . 10 . HN 1 1 152 1 2 1 1 10 HIS HA . 10 . HA 1 1 153 1 1 1 1 10 HIS H . 10 . HN 1 1 153 1 2 1 1 10 HIS QB . 10 . HB2 1 1 154 1 1 1 1 10 HIS H . 10 . HN 1 1 154 1 2 1 1 11 ARG H . 11 . HN 1 1 155 1 1 1 1 10 HIS HA . 10 . HA 1 1 155 1 2 1 1 10 HIS QB . 10 . HB2 1 1 156 1 1 1 1 10 HIS QB . 10 . HB2 1 1 156 1 2 1 1 10 HIS HD1 . 10 . HD1 1 1 156 1 2 1 1 10 HIS HD2 . 10 . HD2 1 1 157 1 1 1 1 11 ARG HA . 11 . HA 1 1 157 1 2 1 1 11 ARG QG . 11 . HG2 1 1 158 1 1 1 1 11 ARG HA . 11 . HA 1 1 158 1 2 1 1 12 SER H . 12 . HN 1 1 159 1 1 1 1 11 ARG HA . 11 . HA 1 1 159 1 2 1 1 12 SER HA . 12 . HA 1 1 160 1 1 1 1 11 ARG HA . 11 . HA 1 1 160 1 2 1 1 13 LYS H . 13 . HN 1 1 161 1 1 1 1 11 ARG QB . 11 . HB2 1 1 161 1 2 1 1 11 ARG QD . 11 . HD2 1 1 162 1 1 1 1 11 ARG QB . 11 . HB2 1 1 162 1 2 1 1 11 ARG HE . 11 . HE 1 1 163 1 1 1 1 11 ARG QB . 11 . HB2 1 1 163 1 2 1 1 11 ARG QG . 11 . HG2 1 1 164 1 1 1 1 11 ARG QB . 11 . HB2 1 1 164 1 2 1 1 12 SER H . 12 . HN 1 1 165 2 1 1 1 11 ARG HB2 . 11 . HB2 1 1 165 2 2 1 1 11 ARG QG . 11 . HG2 1 1 165 3 1 1 1 19 LYS QB . 19 . HB2 1 1 165 3 2 1 1 19 LYS QG . 19 . HG2 1 1 166 1 1 1 1 11 ARG HB3 . 11 . HB1 1 1 166 1 1 1 1 13 LYS QB . 13 . HB2 1 1 166 1 2 1 1 13 LYS H . 13 . HN 1 1 167 1 1 1 1 11 ARG QD . 11 . HD2 1 1 167 1 2 1 1 11 ARG HE . 11 . HE 1 1 168 1 1 1 1 11 ARG QD . 11 . HD2 1 1 168 1 2 1 1 13 LYS H . 13 . HN 1 1 169 1 1 1 1 11 ARG HE . 11 . HE 1 1 169 1 2 1 1 11 ARG QG . 11 . HG2 1 1 170 1 1 1 1 11 ARG QG . 11 . HG2 1 1 170 1 2 1 1 12 SER H . 12 . HN 1 1 171 1 1 1 1 11 ARG QG . 11 . HG2 1 1 171 1 2 1 1 13 LYS H . 13 . HN 1 1 172 1 1 1 1 12 SER H . 12 . HN 1 1 172 1 2 1 1 12 SER HA . 12 . HA 1 1 173 1 1 1 1 12 SER H . 12 . HN 1 1 173 1 2 1 1 12 SER QB . 12 . HB2 1 1 174 1 1 1 1 12 SER H . 12 . HN 1 1 174 1 2 1 1 13 LYS H . 13 . HN 1 1 175 1 1 1 1 12 SER HA . 12 . HA 1 1 175 1 2 1 1 12 SER QB . 12 . HB2 1 1 176 1 1 1 1 12 SER HA . 12 . HA 1 1 176 1 2 1 1 13 LYS H . 13 . HN 1 1 177 1 1 1 1 12 SER QB . 12 . HB2 1 1 177 1 2 1 1 13 LYS H . 13 . HN 1 1 178 1 1 1 1 13 LYS H . 13 . HN 1 1 178 1 2 1 1 13 LYS HA . 13 . HA 1 1 179 1 1 1 1 13 LYS H . 13 . HN 1 1 179 1 2 1 1 13 LYS QB . 13 . HB2 1 1 180 1 1 1 1 13 LYS H . 13 . HN 1 1 180 1 2 1 1 13 LYS QB . 13 . HB2 1 1 180 1 2 1 1 13 LYS QG . 13 . HG2 1 1 181 1 1 1 1 13 LYS H . 13 . HN 1 1 181 1 2 1 1 13 LYS QD . 13 . HD2 1 1 181 1 2 1 1 13 LYS QG . 13 . HG2 1 1 182 1 1 1 1 13 LYS H . 13 . HN 1 1 182 1 2 1 1 13 LYS HD3 . 13 . HD1 1 1 182 1 2 1 1 13 LYS QG . 13 . HG2 1 1 183 1 1 1 1 13 LYS H . 13 . HN 1 1 183 1 2 1 1 13 LYS QG . 13 . HG2 1 1 184 1 1 1 1 13 LYS H . 13 . HN 1 1 184 1 2 1 1 14 CYS H . 14 . HN 1 1 185 1 1 1 1 13 LYS HA . 13 . HA 1 1 185 1 2 1 1 13 LYS QB . 13 . HB2 1 1 186 1 1 1 1 13 LYS HA . 13 . HA 1 1 186 1 2 1 1 13 LYS QB . 13 . HB2 1 1 186 1 2 1 1 13 LYS HG2 . 13 . HG2 1 1 187 1 1 1 1 13 LYS HA . 13 . HA 1 1 187 1 2 1 1 13 LYS QB . 13 . HB2 1 1 187 1 2 1 1 13 LYS QG . 13 . HG2 1 1 188 1 1 1 1 13 LYS HA . 13 . HA 1 1 188 1 2 1 1 13 LYS QD . 13 . HD2 1 1 188 1 2 1 1 13 LYS QG . 13 . HG2 1 1 189 1 1 1 1 13 LYS HA . 13 . HA 1 1 189 1 2 1 1 13 LYS HD2 . 13 . HD2 1 1 189 1 2 1 1 13 LYS QG . 13 . HG2 1 1 190 1 1 1 1 13 LYS HA . 13 . HA 1 1 190 1 2 1 1 13 LYS QG . 13 . HG2 1 1 191 1 1 1 1 13 LYS HA . 13 . HA 1 1 191 1 2 1 1 14 CYS H . 14 . HN 1 1 192 1 1 1 1 13 LYS QB . 13 . HB2 1 1 192 1 2 1 1 13 LYS QD . 13 . HD2 1 1 193 1 1 1 1 13 LYS QB . 13 . HB2 1 1 193 1 2 1 1 13 LYS HD2 . 13 . HD2 1 1 193 1 2 1 1 13 LYS QG . 13 . HG2 1 1 194 1 1 1 1 13 LYS QB . 13 . HB2 1 1 194 1 2 1 1 13 LYS QG . 13 . HG2 1 1 195 1 1 1 1 13 LYS QB . 13 . HB2 1 1 195 1 2 1 1 14 CYS H . 14 . HN 1 1 196 2 1 1 1 13 LYS QD . 13 . HD2 1 1 196 2 2 1 1 13 LYS QE . 13 . HE2 1 1 196 2 2 1 1 13 LYS QG . 13 . HG2 1 1 196 3 1 1 1 13 LYS QE . 13 . HE2 1 1 196 3 2 1 1 13 LYS HG3 . 13 . HG1 1 1 197 2 1 1 1 13 LYS QD . 13 . HD2 1 1 197 2 2 1 1 13 LYS QE . 13 . HE2 1 1 197 2 2 1 1 13 LYS QG . 13 . HG2 1 1 197 3 1 1 1 13 LYS HE2 . 13 . HE2 1 1 197 3 2 1 1 13 LYS HG3 . 13 . HG1 1 1 198 1 1 1 1 13 LYS QD . 13 . HD2 1 1 198 1 2 1 1 13 LYS QG . 13 . HG2 1 1 199 1 1 1 1 13 LYS QE . 13 . HE2 1 1 199 1 2 1 1 13 LYS QG . 13 . HG2 1 1 200 1 1 1 1 13 LYS QG . 13 . HG2 1 1 200 1 2 1 1 14 CYS H . 14 . HN 1 1 201 1 1 1 1 14 CYS H . 14 . HN 1 1 201 1 2 1 1 14 CYS HA . 14 . HA 1 1 202 1 1 1 1 14 CYS H . 14 . HN 1 1 202 1 2 1 1 14 CYS QB . 14 . HB2 1 1 203 1 1 1 1 14 CYS H . 14 . HN 1 1 203 1 2 1 1 15 GLY H . 15 . HN 1 1 204 1 1 1 1 14 CYS H . 14 . HN 1 1 204 1 1 1 1 16 MET H . 16 . HN 1 1 204 1 2 1 1 15 GLY H . 15 . HN 1 1 205 1 1 1 1 14 CYS HA . 14 . HA 1 1 205 1 2 1 1 14 CYS QB . 14 . HB2 1 1 206 1 1 1 1 14 CYS HA . 14 . HA 1 1 206 1 2 1 1 15 GLY H . 15 . HN 1 1 207 1 1 1 1 14 CYS QB . 14 . HB2 1 1 207 1 2 1 1 15 GLY H . 15 . HN 1 1 208 1 1 1 1 15 GLY H . 15 . HN 1 1 208 1 2 1 1 15 GLY QA . 15 . HA2 1 1 209 1 1 1 1 15 GLY H . 15 . HN 1 1 209 1 2 1 1 16 MET H . 16 . HN 1 1 210 1 1 1 1 15 GLY QA . 15 . HA2 1 1 210 1 2 1 1 16 MET H . 16 . HN 1 1 211 1 1 1 1 15 GLY HA2 . 15 . HA2 1 1 211 1 2 1 1 16 MET QG . 16 . HG2 1 1 212 1 1 1 1 16 MET H . 16 . HN 1 1 212 1 2 1 1 16 MET HA . 16 . HA 1 1 213 1 1 1 1 16 MET H . 16 . HN 1 1 213 1 2 1 1 16 MET QB . 16 . HB2 1 1 214 1 1 1 1 16 MET H . 16 . HN 1 1 214 1 2 1 1 16 MET QB . 16 . HB2 1 1 214 1 2 1 1 16 MET ME . 16 . HE% 1 1 215 1 1 1 1 16 MET H . 16 . HN 1 1 215 1 2 1 1 16 MET ME . 16 . HE% 1 1 216 1 1 1 1 16 MET H . 16 . HN 1 1 216 1 2 1 1 16 MET QG . 16 . HG2 1 1 217 1 1 1 1 16 MET H . 16 . HN 1 1 217 1 2 1 1 17 CYS H . 17 . HN 1 1 218 1 1 1 1 16 MET HA . 16 . HA 1 1 218 1 2 1 1 16 MET QB . 16 . HB2 1 1 219 1 1 1 1 16 MET HA . 16 . HA 1 1 219 1 2 1 1 16 MET ME . 16 . HE% 1 1 220 1 1 1 1 16 MET HA . 16 . HA 1 1 220 1 2 1 1 16 MET QG . 16 . HG2 1 1 221 1 1 1 1 16 MET HA . 16 . HA 1 1 221 1 2 1 1 17 CYS H . 17 . HN 1 1 222 2 1 1 1 16 MET QB . 16 . HB2 1 1 222 2 2 1 1 16 MET HG2 . 16 . HG2 1 1 222 3 1 1 1 16 MET QB . 16 . HB2 1 1 222 3 1 1 1 16 MET ME . 16 . HE% 1 1 222 3 2 1 1 16 MET HG3 . 16 . HG1 1 1 223 1 1 1 1 16 MET QB . 16 . HB2 1 1 223 1 2 1 1 16 MET ME . 16 . HE% 1 1 224 2 1 1 1 16 MET HB2 . 16 . HB2 1 1 224 2 1 1 1 16 MET ME . 16 . HE% 1 1 224 2 2 1 1 16 MET QG . 16 . HG2 1 1 224 3 1 1 1 16 MET HB3 . 16 . HB1 1 1 224 3 2 1 1 16 MET HG3 . 16 . HG1 1 1 225 1 1 1 1 16 MET QB . 16 . HB2 1 1 225 1 2 1 1 16 MET QG . 16 . HG2 1 1 226 1 1 1 1 16 MET QB . 16 . HB2 1 1 226 1 2 1 1 17 CYS H . 17 . HN 1 1 227 1 1 1 1 16 MET ME . 16 . HE% 1 1 227 1 2 1 1 16 MET QG . 16 . HG2 1 1 228 1 1 1 1 16 MET QG . 16 . HG2 1 1 228 1 2 1 1 17 CYS H . 17 . HN 1 1 229 1 1 1 1 17 CYS H . 17 . HN 1 1 229 1 2 1 1 17 CYS HA . 17 . HA 1 1 230 1 1 1 1 17 CYS H . 17 . HN 1 1 230 1 2 1 1 17 CYS QB . 17 . HB2 1 1 231 1 1 1 1 17 CYS H . 17 . HN 1 1 231 1 2 1 1 18 CYS H . 18 . HN 1 1 232 1 1 1 1 17 CYS H . 17 . HN 1 1 232 1 2 1 1 18 CYS HA . 18 . HA 1 1 233 1 1 1 1 17 CYS HA . 17 . HA 1 1 233 1 2 1 1 17 CYS QB . 17 . HB2 1 1 234 1 1 1 1 17 CYS HA . 17 . HA 1 1 234 1 2 1 1 18 CYS H . 18 . HN 1 1 235 1 1 1 1 17 CYS HA . 17 . HA 1 1 235 1 2 1 1 18 CYS QB . 18 . HB2 1 1 236 1 1 1 1 17 CYS QB . 17 . HB2 1 1 236 1 2 1 1 18 CYS H . 18 . HN 1 1 237 1 1 1 1 18 CYS H . 18 . HN 1 1 237 1 2 1 1 18 CYS HA . 18 . HA 1 1 238 1 1 1 1 18 CYS H . 18 . HN 1 1 238 1 2 1 1 18 CYS QB . 18 . HB2 1 1 239 1 1 1 1 18 CYS H . 18 . HN 1 1 239 1 2 1 1 19 LYS H . 19 . HN 1 1 240 1 1 1 1 18 CYS HA . 18 . HA 1 1 240 1 2 1 1 18 CYS QB . 18 . HB2 1 1 241 1 1 1 1 18 CYS HA . 18 . HA 1 1 241 1 2 1 1 19 LYS H . 19 . HN 1 1 242 1 1 1 1 18 CYS HA . 18 . HA 1 1 242 1 2 1 1 19 LYS HA . 19 . HA 1 1 243 1 1 1 1 18 CYS QB . 18 . HB2 1 1 243 1 2 1 1 19 LYS H . 19 . HN 1 1 244 1 1 1 1 18 CYS QB . 18 . HB2 1 1 244 1 2 1 1 19 LYS QE . 19 . HE2 1 1 245 1 1 1 1 19 LYS H . 19 . HN 1 1 245 1 1 1 1 20 THR H . 20 . HN 1 1 245 1 2 1 1 19 LYS HA . 19 . HA 1 1 246 1 1 1 1 19 LYS H . 19 . HN 1 1 246 1 2 1 1 19 LYS QB . 19 . HB2 1 1 247 1 1 1 1 19 LYS H . 19 . HN 1 1 247 1 1 1 1 20 THR H . 20 . HN 1 1 247 1 2 1 1 19 LYS QB . 19 . HB2 1 1 248 1 1 1 1 19 LYS H . 19 . HN 1 1 248 1 2 1 1 19 LYS QD . 19 . HD2 1 1 249 1 1 1 1 19 LYS H . 19 . HN 1 1 249 1 2 1 1 19 LYS QE . 19 . HE2 1 1 250 1 1 1 1 19 LYS H . 19 . HN 1 1 250 1 2 1 1 19 LYS QG . 19 . HG2 1 1 251 1 1 1 1 19 LYS HA . 19 . HA 1 1 251 1 2 1 1 19 LYS QB . 19 . HB2 1 1 252 1 1 1 1 19 LYS QB . 19 . HB2 1 1 252 1 2 1 1 19 LYS QG . 19 . HG2 1 1 253 1 1 1 1 19 LYS QD . 19 . HD2 1 1 253 1 2 1 1 19 LYS QG . 19 . HG2 1 1 254 1 1 1 1 20 THR H . 20 . HN 1 1 254 1 2 1 1 20 THR HA . 20 . HA 1 1 254 1 2 1 1 20 THR HB . 20 . HB 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.0 1.5 2.5 1 1 2 1 . . . . . 3.8 2.0 5.6 1 1 3 1 . . . . . 3.4 2.0 4.8 1 1 4 1 . . . . . 3.9 2.0 5.8 1 1 5 1 . . . . . 2.4 1.7 3.1 1 1 6 1 . . . . . 1.8 1.4 2.2 1 1 7 1 . . . . . 3.6 2.0 5.2 1 1 8 1 . . . . . 4.1 2.0 6.0 1 1 9 1 . . . . . 2.8 1.8 3.8 1 1 10 1 . . . . . 2.9 1.8 4.0 1 1 11 1 . . . . . 2.5 1.7 3.3 1 1 12 1 . . . . . 2.0 1.5 2.5 1 1 13 1 . . . . . 2.6 1.7 3.5 1 1 14 1 . . . . . 2.3 1.7 2.9 1 1 15 1 . . . . . 2.0 1.5 2.5 1 1 16 1 . . . . . 2.7 0.0 6.0 1 1 17 1 . . . . . 3.9 2.0 5.8 1 1 18 1 . . . . . 3.5 2.0 5.0 1 1 19 1 . . . . . 3.5 2.0 5.0 1 1 20 1 . . . . . 4.4 2.0 6.0 1 1 21 1 . . . . . 2.2 1.6 2.8 1 1 22 1 . . . . . 2.3 1.7 2.9 1 1 23 1 . . . . . 4.3 2.0 6.0 1 1 24 1 . . . . . 1.9 1.5 2.3 1 1 25 1 . . . . . 1.7 1.3 2.2 1 1 26 1 . . . . . 1.6 1.3 2.2 1 1 27 1 . . . . . 4.4 2.0 6.0 1 1 28 1 . . . . . 5.2 1.8 6.0 1 1 29 1 . . . . . 4.4 2.0 6.0 1 1 30 1 . . . . . 3.8 2.0 5.6 1 1 31 1 . . . . . 2.8 1.8 3.8 1 1 32 1 . . . . . 3.8 2.0 5.6 1 1 33 1 . . . . . 2.7 1.8 3.6 1 1 34 1 . . . . . 2.4 1.7 3.1 1 1 35 1 . . . . . 3.6 2.0 5.2 1 1 36 1 . . . . . 3.1 1.9 4.3 1 1 37 1 . . . . . 1.9 1.5 2.3 1 1 38 1 . . . . . 2.6 1.7 3.5 1 1 39 1 . . . . . 2.9 1.8 4.0 1 1 40 1 . . . . . 4.2 2.0 6.0 1 1 41 1 . . . . . 3.5 2.0 5.0 1 1 42 1 . . . . . 2.4 1.7 3.1 1 1 43 1 . . . . . 4.4 1.9 6.0 1 1 44 1 . . . . . 2.0 1.5 2.5 1 1 45 1 . . . . . 3.3 2.0 4.6 1 1 46 1 . . . . . 3.7 2.0 5.4 1 1 47 1 . . . . . 2.0 1.5 2.5 1 1 48 1 . . . . . 1.7 1.3 2.2 1 1 49 1 . . . . . 3.8 2.0 5.6 1 1 50 1 . . . . . 2.9 1.9 3.9 1 1 51 1 . . . . . 2.1 1.6 2.6 1 1 52 1 . . . . . 2.8 1.8 3.8 1 1 53 1 . . . . . 2.4 1.7 3.1 1 1 54 1 . . . . . 2.2 1.6 2.8 1 1 55 1 . . . . . 2.8 1.8 3.8 1 1 56 1 . . . . . 3.9 2.0 5.8 1 1 57 1 . . . . . 2.2 1.6 2.8 1 1 58 1 . . . . . 1.9 1.4 2.4 1 1 59 1 . . . . . 2.1 1.6 2.6 1 1 60 1 . . . . . 4.5 2.0 6.0 1 1 61 1 . . . . . 4.1 2.0 6.0 1 1 62 1 . . . . . 4.1 2.0 6.0 1 1 63 1 . . . . . 5.9 1.6 6.0 1 1 64 1 . . . . . 4.0 2.0 6.0 1 1 65 1 . . . . . 3.8 2.0 5.6 1 1 66 1 . . . . . 4.0 2.0 6.0 1 1 67 1 . . . . . 3.4 1.9 4.9 1 1 68 1 . . . . . 4.0 2.0 6.0 1 1 69 1 . . . . . 2.2 0.0 6.0 1 1 70 1 . . . . . 1.8 1.4 2.2 1 1 71 1 . . . . . 3.8 2.0 5.6 1 1 72 1 . . . . . 3.9 2.0 5.8 1 1 73 1 . . . . . 3.4 2.0 4.8 1 1 74 1 . . . . . 1.9 1.5 2.3 1 1 75 1 . . . . . 1.8 1.4 2.2 1 1 76 1 . . . . . 4.8 2.0 6.0 1 1 77 1 . . . . . 1.5 1.2 2.2 1 1 78 1 . . . . . 3.5 2.0 5.0 1 1 79 1 . . . . . 2.4 1.7 3.1 1 1 80 1 . . . . . 1.7 1.4 2.2 1 1 81 1 . . . . . 3.1 1.9 4.3 1 1 82 1 . . . . . 3.2 1.9 4.5 1 1 83 1 . . . . . 5.6 1.7 6.0 1 1 84 1 . . . . . 3.3 2.0 4.6 1 1 85 1 . . . . . . 2.0 6.0 1 1 86 1 . . . . . 3.1 1.9 4.3 1 1 87 1 . . . . . 3.2 1.9 4.5 1 1 88 1 . . . . . 3.3 1.9 4.7 1 1 89 1 . . . . . 3.0 1.9 4.1 1 1 90 1 . . . . . 2.3 1.6 3.0 1 1 91 1 . . . . . 1.3 1.1 2.2 1 1 92 1 . . . . . 4.0 2.0 6.0 1 1 93 1 . . . . . 3.1 2.0 4.3 1 1 94 1 . . . . . 4.4 2.0 6.0 1 1 95 1 . . . . . 2.6 1.8 3.4 1 1 96 1 . . . . . 3.6 2.0 5.2 1 1 97 1 . . . . . 2.3 1.7 2.8 1 1 98 1 . . . . . 3.1 2.0 4.3 1 1 99 1 . . . . . 4.1 2.0 6.0 1 1 100 1 . . . . . 2.5 1.7 3.3 1 1 101 1 . . . . . 4.3 2.0 6.0 1 1 102 1 . . . . . 2.7 1.8 3.6 1 1 103 1 . . . . . 3.6 1.9 5.3 1 1 104 1 . . . . . 4.1 2.0 6.0 1 1 105 1 . . . . . 2.3 1.6 3.0 1 1 106 1 . . . . . 2.2 1.6 2.8 1 1 107 1 . . . . . 3.0 1.9 4.1 1 1 108 1 . . . . . 4.2 2.0 6.0 1 1 109 1 . . . . . 2.2 1.6 2.8 1 1 110 1 . . . . . 1.9 1.5 2.3 1 1 111 1 . . . . . 3.3 1.9 4.7 1 1 112 1 . . . . . 2.6 1.8 3.4 1 1 113 1 . . . . . 3.7 1.9 5.5 1 1 114 1 . . . . . 3.3 1.9 4.7 1 1 115 1 . . . . . 2.5 1.7 3.3 1 1 116 1 . . . . . 3.0 1.9 4.1 1 1 117 1 . . . . . 2.8 1.8 3.8 1 1 118 1 . . . . . 4.2 2.0 6.0 1 1 119 1 . . . . . 4.1 2.0 6.0 1 1 120 1 . . . . . 2.1 1.6 2.6 1 1 121 1 . . . . . 1.9 1.4 2.4 1 1 122 1 . . . . . 3.7 2.0 5.4 1 1 123 1 . . . . . 3.7 2.0 5.4 1 1 124 1 . . . . . 1.7 1.3 2.2 1 1 125 1 . . . . . 3.2 1.9 4.5 1 1 126 1 . . . . . 2.7 1.8 3.6 1 1 127 1 . . . . . 4.1 2.0 6.0 1 1 128 1 . . . . . 5.2 1.9 6.0 1 1 129 1 . . . . . 3.9 2.0 5.8 1 1 130 1 . . . . . 4.0 2.0 6.0 1 1 131 1 . . . . . 1.9 1.5 2.3 1 1 132 1 . . . . . 2.6 1.8 3.4 1 1 133 1 . . . . . 4.3 2.0 6.0 1 1 134 1 . . . . . 4.5 2.0 6.0 1 1 135 1 . . . . . 2.5 1.7 3.3 1 1 136 1 . . . . . 3.1 1.9 4.3 1 1 137 1 . . . . . 3.5 2.0 5.0 1 1 138 1 . . . . . 4.8 1.9 6.0 1 1 139 1 . . . . . 5.0 1.9 6.0 1 1 140 1 . . . . . 2.0 1.5 2.5 1 1 141 1 . . . . . 4.6 2.0 6.0 1 1 142 1 . . . . . 3.6 1.9 5.3 1 1 143 1 . . . . . 3.4 1.9 4.9 1 1 144 1 . . . . . 4.6 2.0 6.0 1 1 145 1 . . . . . 2.1 1.6 2.6 1 1 146 1 . . . . . 4.1 2.0 6.0 1 1 147 1 . . . . . 2.4 0.0 6.0 1 1 148 1 . . . . . 3.6 2.0 5.2 1 1 149 1 . . . . . 2.5 1.7 3.3 1 1 150 1 . . . . . 4.1 2.0 6.0 1 1 151 1 . . . . . 3.6 2.0 5.2 1 1 152 1 . . . . . 2.4 1.7 3.1 1 1 153 1 . . . . . 3.0 1.9 4.1 1 1 154 1 . . . . . 3.8 2.0 5.6 1 1 155 1 . . . . . 2.5 1.7 3.3 1 1 156 1 . . . . . 2.7 1.8 3.6 1 1 157 1 . . . . . 3.2 1.9 4.5 1 1 158 1 . . . . . 1.9 1.5 2.3 1 1 159 1 . . . . . 4.3 2.0 6.0 1 1 160 1 . . . . . 4.2 2.0 6.0 1 1 161 1 . . . . . 2.8 1.8 3.8 1 1 162 1 . . . . . 3.5 2.0 5.0 1 1 163 1 . . . . . 2.1 1.6 2.6 1 1 164 1 . . . . . 3.3 2.0 4.6 1 1 165 2 . . . . . 2.2 1.6 2.8 1 1 165 3 . . . . . 2.2 1.6 2.8 1 1 166 1 . . . . . 2.6 1.8 3.4 1 1 167 1 . . . . . 2.3 1.7 2.9 1 1 168 1 . . . . . 4.4 2.0 6.0 1 1 169 1 . . . . . 3.0 1.9 4.1 1 1 170 1 . . . . . 3.9 2.0 5.8 1 1 171 1 . . . . . 3.3 1.9 4.7 1 1 172 1 . . . . . 2.4 1.7 3.1 1 1 173 1 . . . . . 2.5 1.7 3.3 1 1 174 1 . . . . . 2.1 1.6 2.6 1 1 175 1 . . . . . 1.9 1.5 2.3 1 1 176 1 . . . . . 2.6 1.7 3.5 1 1 177 1 . . . . . 2.6 1.7 3.5 1 1 178 1 . . . . . 2.3 1.7 2.9 1 1 179 1 . . . . . 2.6 1.8 3.4 1 1 180 1 . . . . . 2.3 1.6 3.0 1 1 181 1 . . . . . 2.7 1.8 3.6 1 1 182 1 . . . . . 2.6 1.7 3.5 1 1 183 1 . . . . . 2.5 1.7 3.3 1 1 184 1 . . . . . 3.8 2.0 5.6 1 1 185 1 . . . . . 2.4 1.7 3.1 1 1 186 1 . . . . . 2.6 1.8 3.4 1 1 187 1 . . . . . 2.5 1.7 3.3 1 1 188 1 . . . . . 3.3 1.9 4.7 1 1 189 1 . . . . . 3.1 1.9 4.3 1 1 190 1 . . . . . 2.6 1.7 3.5 1 1 191 1 . . . . . 1.7 1.4 2.2 1 1 192 1 . . . . . 2.8 1.8 3.8 1 1 193 1 . . . . . 2.3 1.7 2.9 1 1 194 1 . . . . . 1.8 1.4 2.2 1 1 195 1 . . . . . 2.8 1.8 3.8 1 1 196 2 . . . . . 1.9 1.4 2.4 1 1 196 3 . . . . . 1.9 1.4 2.4 1 1 197 2 . . . . . 1.9 1.5 2.3 1 1 197 3 . . . . . 1.9 1.5 2.3 1 1 198 1 . . . . . 2.2 1.6 2.8 1 1 199 1 . . . . . 2.9 1.8 4.0 1 1 200 1 . . . . . 3.9 2.0 5.8 1 1 201 1 . . . . . 2.4 1.7 3.1 1 1 202 1 . . . . . 2.2 1.6 2.8 1 1 203 1 . . . . . 4.3 2.0 6.0 1 1 204 1 . . . . . 3.5 2.0 5.0 1 1 205 1 . . . . . 2.4 1.7 3.1 1 1 206 1 . . . . . 1.7 1.4 2.2 1 1 207 1 . . . . . 2.9 1.8 4.0 1 1 208 1 . . . . . 2.4 1.7 3.1 1 1 209 1 . . . . . 3.6 1.9 5.3 1 1 210 1 . . . . . 1.9 1.5 2.3 1 1 211 1 . . . . . 4.3 2.0 6.0 1 1 212 1 . . . . . 2.2 1.6 2.8 1 1 213 1 . . . . . 2.2 1.6 2.8 1 1 214 1 . . . . . 2.1 1.5 2.7 1 1 215 1 . . . . . 4.8 2.0 6.0 1 1 216 1 . . . . . 2.0 1.5 2.5 1 1 217 1 . . . . . 3.8 2.0 5.6 1 1 218 1 . . . . . 2.1 1.6 2.6 1 1 219 1 . . . . . 3.6 2.0 5.2 1 1 220 1 . . . . . 2.6 1.7 3.5 1 1 221 1 . . . . . 1.6 1.3 2.2 1 1 222 2 . . . . . 2.1 1.5 2.7 1 1 222 3 . . . . . 2.1 1.5 2.7 1 1 223 1 . . . . . 2.0 1.5 2.5 1 1 224 2 . . . . . 2.2 1.6 2.8 1 1 224 3 . . . . . 2.2 1.6 2.8 1 1 225 1 . . . . . 2.0 1.5 2.5 1 1 226 1 . . . . . 3.0 1.9 4.1 1 1 227 1 . . . . . 2.2 1.6 2.8 1 1 228 1 . . . . . 3.7 2.0 5.4 1 1 229 1 . . . . . 2.4 1.7 3.1 1 1 230 1 . . . . . 2.2 1.6 2.8 1 1 231 1 . . . . . 3.6 2.0 5.2 1 1 232 1 . . . . . 3.7 2.0 5.4 1 1 233 1 . . . . . 2.2 1.6 2.8 1 1 234 1 . . . . . 1.7 1.4 2.2 1 1 235 1 . . . . . 4.0 2.0 6.0 1 1 236 1 . . . . . 3.9 2.0 5.8 1 1 237 1 . . . . . 2.4 1.7 3.1 1 1 238 1 . . . . . 2.2 1.6 2.8 1 1 239 1 . . . . . 3.2 1.9 4.5 1 1 240 1 . . . . . 2.0 1.5 2.5 1 1 241 1 . . . . . 2.0 1.5 2.5 1 1 242 1 . . . . . 3.9 2.0 5.8 1 1 243 1 . . . . . 2.9 1.9 3.9 1 1 244 1 . . . . . 2.2 1.6 2.8 1 1 245 1 . . . . . 1.9 1.5 2.3 1 1 246 1 . . . . . 2.9 1.8 4.0 1 1 247 1 . . . . . 3.6 2.0 5.2 1 1 248 1 . . . . . 2.8 1.8 3.8 1 1 249 1 . . . . . 3.1 1.9 4.3 1 1 250 1 . . . . . 3.1 1.9 4.3 1 1 251 1 . . . . . 2.5 1.7 3.3 1 1 252 1 . . . . . 2.1 1.5 2.7 1 1 253 1 . . . . . 2.1 1.6 2.6 1 1 254 1 . . . . . 2.6 1.8 3.4 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 ILE C C 2.848 -8.921 2.534 1.00 . A A . 1 ILE C 1 1 1 2 1 1 1 ILE CA C 3.080 -10.381 2.154 1.00 . A A . 1 ILE CA 1 1 1 3 1 1 1 ILE CB C 1.813 -10.929 1.455 1.00 . A A . 1 ILE CB 1 1 1 4 1 1 1 ILE CD1 C 0.636 -11.685 3.605 1.00 . A A . 1 ILE CD1 1 1 1 5 1 1 1 ILE CG1 C 0.578 -10.817 2.364 1.00 . A A . 1 ILE CG1 1 1 1 6 1 1 1 ILE CG2 C 2.031 -12.371 1.020 1.00 . A A . 1 ILE CG2 1 1 1 7 1 1 1 ILE H1 H 2.954 -10.836 4.187 1.00 . A A . 1 ILE H1 1 1 1 8 1 1 1 ILE H2 H 4.474 -11.137 3.510 1.00 . A A . 1 ILE H2 1 1 1 9 1 1 1 ILE H3 H 3.187 -12.187 3.194 1.00 . A A . 1 ILE H3 1 1 1 10 1 1 1 ILE HA H 3.900 -10.427 1.452 1.00 . A A . 1 ILE HA 1 1 1 11 1 1 1 ILE HB H 1.646 -10.339 0.566 1.00 . A A . 1 ILE HB 1 1 1 12 1 1 1 ILE HD11 H 0.729 -12.721 3.316 1.00 . A A . 1 ILE HD11 1 1 1 13 1 1 1 ILE HD12 H -0.269 -11.552 4.181 1.00 . A A . 1 ILE HD12 1 1 1 14 1 1 1 ILE HD13 H 1.487 -11.401 4.205 1.00 . A A . 1 ILE HD13 1 1 1 15 1 1 1 ILE HG12 H 0.470 -9.792 2.686 1.00 . A A . 1 ILE HG12 1 1 1 16 1 1 1 ILE HG13 H -0.298 -11.104 1.800 1.00 . A A . 1 ILE HG13 1 1 1 17 1 1 1 ILE HG21 H 2.892 -12.776 1.530 1.00 . A A . 1 ILE HG21 1 1 1 18 1 1 1 ILE HG22 H 2.196 -12.406 -0.046 1.00 . A A . 1 ILE HG22 1 1 1 19 1 1 1 ILE HG23 H 1.158 -12.957 1.267 1.00 . A A . 1 ILE HG23 1 1 1 20 1 1 1 ILE N N 3.449 -11.191 3.344 1.00 . A A . 1 ILE N 1 1 1 21 1 1 1 ILE O O 2.265 -8.626 3.578 1.00 . A A . 1 ILE O 1 1 1 22 1 1 2 CYS C C 1.675 -6.219 2.024 1.00 . A A . 2 CYS C 1 1 1 23 1 1 2 CYS CA C 3.154 -6.584 1.917 1.00 . A A . 2 CYS CA 1 1 1 24 1 1 2 CYS CB C 3.838 -5.791 0.803 1.00 . A A . 2 CYS CB 1 1 1 25 1 1 2 CYS H H 3.766 -8.315 0.865 1.00 . A A . 2 CYS H 1 1 1 26 1 1 2 CYS HA H 3.633 -6.352 2.857 1.00 . A A . 2 CYS HA 1 1 1 27 1 1 2 CYS HB2 H 3.299 -5.938 -0.120 1.00 . A A . 2 CYS HB2 1 1 1 28 1 1 2 CYS HB3 H 3.830 -4.741 1.059 1.00 . A A . 2 CYS HB3 1 1 1 29 1 1 2 CYS N N 3.309 -8.015 1.678 1.00 . A A . 2 CYS N 1 1 1 30 1 1 2 CYS O O 0.830 -6.767 1.312 1.00 . A A . 2 CYS O 1 1 1 31 1 1 2 CYS SG S 5.573 -6.283 0.520 1.00 . A A . 2 CYS SG 1 1 1 32 1 1 3 ILE C C -0.540 -4.086 1.955 1.00 . A A . 3 ILE C 1 1 1 33 1 1 3 ILE CA C -0.016 -4.887 3.133 1.00 . A A . 3 ILE CA 1 1 1 34 1 1 3 ILE CB C -0.181 -4.074 4.423 1.00 . A A . 3 ILE CB 1 1 1 35 1 1 3 ILE CD1 C 0.804 -2.095 5.688 1.00 . A A . 3 ILE CD1 1 1 1 36 1 1 3 ILE CG1 C 1.015 -3.144 4.617 1.00 . A A . 3 ILE CG1 1 1 1 37 1 1 3 ILE CG2 C -0.341 -5.004 5.617 1.00 . A A . 3 ILE CG2 1 1 1 38 1 1 3 ILE H H 2.069 -4.893 3.469 1.00 . A A . 3 ILE H 1 1 1 39 1 1 3 ILE HA H -0.614 -5.780 3.231 1.00 . A A . 3 ILE HA 1 1 1 40 1 1 3 ILE HB H -1.078 -3.489 4.329 1.00 . A A . 3 ILE HB 1 1 1 41 1 1 3 ILE HD11 H -0.230 -2.108 6.006 1.00 . A A . 3 ILE HD11 1 1 1 42 1 1 3 ILE HD12 H 1.046 -1.120 5.292 1.00 . A A . 3 ILE HD12 1 1 1 43 1 1 3 ILE HD13 H 1.442 -2.310 6.533 1.00 . A A . 3 ILE HD13 1 1 1 44 1 1 3 ILE HG12 H 1.874 -3.733 4.900 1.00 . A A . 3 ILE HG12 1 1 1 45 1 1 3 ILE HG13 H 1.226 -2.641 3.687 1.00 . A A . 3 ILE HG13 1 1 1 46 1 1 3 ILE HG21 H 0.402 -4.764 6.363 1.00 . A A . 3 ILE HG21 1 1 1 47 1 1 3 ILE HG22 H -0.213 -6.027 5.297 1.00 . A A . 3 ILE HG22 1 1 1 48 1 1 3 ILE HG23 H -1.328 -4.880 6.039 1.00 . A A . 3 ILE HG23 1 1 1 49 1 1 3 ILE N N 1.362 -5.300 2.929 1.00 . A A . 3 ILE N 1 1 1 50 1 1 3 ILE O O -0.324 -2.878 1.859 1.00 . A A . 3 ILE O 1 1 1 51 1 1 4 PHE C C -2.602 -2.916 0.250 1.00 . A A . 4 PHE C 1 1 1 52 1 1 4 PHE CA C -1.803 -4.160 -0.125 1.00 . A A . 4 PHE CA 1 1 1 53 1 1 4 PHE CB C -2.700 -5.164 -0.853 1.00 . A A . 4 PHE CB 1 1 1 54 1 1 4 PHE CD1 C -2.215 -4.228 -3.132 1.00 . A A . 4 PHE CD1 1 1 1 55 1 1 4 PHE CD2 C -4.470 -4.787 -2.592 1.00 . A A . 4 PHE CD2 1 1 1 56 1 1 4 PHE CE1 C -2.614 -3.820 -4.390 1.00 . A A . 4 PHE CE1 1 1 1 57 1 1 4 PHE CE2 C -4.875 -4.379 -3.849 1.00 . A A . 4 PHE CE2 1 1 1 58 1 1 4 PHE CG C -3.138 -4.715 -2.219 1.00 . A A . 4 PHE CG 1 1 1 59 1 1 4 PHE CZ C -3.945 -3.896 -4.750 1.00 . A A . 4 PHE CZ 1 1 1 60 1 1 4 PHE H H -1.356 -5.742 1.209 1.00 . A A . 4 PHE H 1 1 1 61 1 1 4 PHE HA H -0.992 -3.874 -0.776 1.00 . A A . 4 PHE HA 1 1 1 62 1 1 4 PHE HB2 H -2.166 -6.094 -0.966 1.00 . A A . 4 PHE HB2 1 1 1 63 1 1 4 PHE HB3 H -3.587 -5.335 -0.260 1.00 . A A . 4 PHE HB3 1 1 1 64 1 1 4 PHE HD1 H -1.174 -4.167 -2.851 1.00 . A A . 4 PHE HD1 1 1 1 65 1 1 4 PHE HD2 H -5.198 -5.164 -1.889 1.00 . A A . 4 PHE HD2 1 1 1 66 1 1 4 PHE HE1 H -1.885 -3.442 -5.092 1.00 . A A . 4 PHE HE1 1 1 1 67 1 1 4 PHE HE2 H -5.916 -4.440 -4.129 1.00 . A A . 4 PHE HE2 1 1 1 68 1 1 4 PHE HZ H -4.259 -3.578 -5.733 1.00 . A A . 4 PHE HZ 1 1 1 69 1 1 4 PHE N N -1.231 -4.781 1.064 1.00 . A A . 4 PHE N 1 1 1 70 1 1 4 PHE O O -3.703 -3.011 0.792 1.00 . A A . 4 PHE O 1 1 1 71 1 1 5 CYS C C -3.560 -0.036 -0.905 1.00 . A A . 5 CYS C 1 1 1 72 1 1 5 CYS CA C -2.683 -0.481 0.256 1.00 . A A . 5 CYS CA 1 1 1 73 1 1 5 CYS CB C -1.638 0.594 0.565 1.00 . A A . 5 CYS CB 1 1 1 74 1 1 5 CYS H H -1.158 -1.744 -0.481 1.00 . A A . 5 CYS H 1 1 1 75 1 1 5 CYS HA H -3.307 -0.625 1.125 1.00 . A A . 5 CYS HA 1 1 1 76 1 1 5 CYS HB2 H -0.937 0.649 -0.253 1.00 . A A . 5 CYS HB2 1 1 1 77 1 1 5 CYS HB3 H -2.135 1.547 0.671 1.00 . A A . 5 CYS HB3 1 1 1 78 1 1 5 CYS N N -2.035 -1.750 -0.045 1.00 . A A . 5 CYS N 1 1 1 79 1 1 5 CYS O O -3.158 0.797 -1.715 1.00 . A A . 5 CYS O 1 1 1 80 1 1 5 CYS SG S -0.684 0.293 2.089 1.00 . A A . 5 CYS SG 1 1 1 81 1 1 6 CYS C C -6.385 1.042 -1.783 1.00 . A A . 6 CYS C 1 1 1 82 1 1 6 CYS CA C -5.684 -0.282 -2.058 1.00 . A A . 6 CYS CA 1 1 1 83 1 1 6 CYS CB C -6.705 -1.406 -2.245 1.00 . A A . 6 CYS CB 1 1 1 84 1 1 6 CYS H H -5.012 -1.276 -0.315 1.00 . A A . 6 CYS H 1 1 1 85 1 1 6 CYS HA H -5.108 -0.175 -2.963 1.00 . A A . 6 CYS HA 1 1 1 86 1 1 6 CYS HB2 H -6.226 -2.352 -2.040 1.00 . A A . 6 CYS HB2 1 1 1 87 1 1 6 CYS HB3 H -7.516 -1.262 -1.548 1.00 . A A . 6 CYS HB3 1 1 1 88 1 1 6 CYS N N -4.754 -0.611 -0.987 1.00 . A A . 6 CYS N 1 1 1 89 1 1 6 CYS O O -7.611 1.106 -1.675 1.00 . A A . 6 CYS O 1 1 1 90 1 1 6 CYS SG S -7.422 -1.503 -3.920 1.00 . A A . 6 CYS SG 1 1 1 91 1 1 7 GLY C C -6.842 3.514 -0.085 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C -6.124 3.422 -1.416 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H -4.624 1.976 -1.778 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H -5.313 4.134 -1.424 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H -6.818 3.677 -2.204 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N -5.589 2.098 -1.676 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O -7.900 4.135 0.014 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 CYS C C -6.554 4.202 2.989 1.00 . A A . 8 CYS C 1 1 1 99 1 1 8 CYS CA C -6.865 2.917 2.275 1.00 . A A . 8 CYS CA 1 1 1 100 1 1 8 CYS CB C -6.309 1.782 3.157 1.00 . A A . 8 CYS CB 1 1 1 101 1 1 8 CYS H H -5.423 2.417 0.805 1.00 . A A . 8 CYS H 1 1 1 102 1 1 8 CYS HA H -7.932 2.804 2.177 1.00 . A A . 8 CYS HA 1 1 1 103 1 1 8 CYS HB2 H -6.965 1.645 4.003 1.00 . A A . 8 CYS HB2 1 1 1 104 1 1 8 CYS HB3 H -6.287 0.870 2.579 1.00 . A A . 8 CYS HB3 1 1 1 105 1 1 8 CYS N N -6.267 2.895 0.944 1.00 . A A . 8 CYS N 1 1 1 106 1 1 8 CYS O O -7.422 4.850 3.575 1.00 . A A . 8 CYS O 1 1 1 107 1 1 8 CYS SG S -4.607 2.066 3.818 1.00 . A A . 8 CYS SG 1 1 1 108 1 1 9 CYS C C -3.830 6.472 2.935 1.00 . A A . 9 CYS C 1 1 1 109 1 1 9 CYS CA C -4.757 5.590 3.770 1.00 . A A . 9 CYS CA 1 1 1 110 1 1 9 CYS CB C -4.034 4.951 4.945 1.00 . A A . 9 CYS CB 1 1 1 111 1 1 9 CYS H H -4.641 3.864 2.606 1.00 . A A . 9 CYS H 1 1 1 112 1 1 9 CYS HA H -5.583 6.175 4.138 1.00 . A A . 9 CYS HA 1 1 1 113 1 1 9 CYS HB2 H -3.005 4.762 4.674 1.00 . A A . 9 CYS HB2 1 1 1 114 1 1 9 CYS HB3 H -4.069 5.618 5.793 1.00 . A A . 9 CYS HB3 1 1 1 115 1 1 9 CYS N N -5.272 4.482 3.029 1.00 . A A . 9 CYS N 1 1 1 116 1 1 9 CYS O O -4.051 7.678 2.810 1.00 . A A . 9 CYS O 1 1 1 117 1 1 9 CYS SG S -4.798 3.350 5.451 1.00 . A A . 9 CYS SG 1 1 1 118 1 1 10 HIS C C -2.402 6.957 0.196 1.00 . A A . 10 HIS C 1 1 1 119 1 1 10 HIS CA C -1.818 6.588 1.561 1.00 . A A . 10 HIS CA 1 1 1 120 1 1 10 HIS CB C -0.550 5.747 1.388 1.00 . A A . 10 HIS CB 1 1 1 121 1 1 10 HIS CD2 C 0.424 4.224 3.249 1.00 . A A . 10 HIS CD2 1 1 1 122 1 1 10 HIS CE1 C 1.151 5.792 4.598 1.00 . A A . 10 HIS CE1 1 1 1 123 1 1 10 HIS CG C 0.131 5.418 2.681 1.00 . A A . 10 HIS CG 1 1 1 124 1 1 10 HIS H H -2.666 4.902 2.520 1.00 . A A . 10 HIS H 1 1 1 125 1 1 10 HIS HA H -1.563 7.497 2.085 1.00 . A A . 10 HIS HA 1 1 1 126 1 1 10 HIS HB2 H -0.806 4.817 0.902 1.00 . A A . 10 HIS HB2 1 1 1 127 1 1 10 HIS HB3 H 0.151 6.288 0.771 1.00 . A A . 10 HIS HB3 1 1 1 128 1 1 10 HIS HD1 H 0.537 7.348 3.420 1.00 . A A . 10 HIS HD1 1 1 1 129 1 1 10 HIS HD2 H 0.201 3.248 2.842 1.00 . A A . 10 HIS HD2 1 1 1 130 1 1 10 HIS HE1 H 1.601 6.296 5.440 1.00 . A A . 10 HIS HE1 1 1 1 131 1 1 10 HIS HE2 H 1.289 3.816 5.118 1.00 . A A . 10 HIS HE2 1 1 1 132 1 1 10 HIS N N -2.789 5.864 2.376 1.00 . A A . 10 HIS N 1 1 1 133 1 1 10 HIS ND1 N 0.599 6.379 3.551 1.00 . A A . 10 HIS ND1 1 1 1 134 1 1 10 HIS NE2 N 1.056 4.485 4.440 1.00 . A A . 10 HIS NE2 1 1 1 135 1 1 10 HIS O O -3.553 7.382 0.100 1.00 . A A . 10 HIS O 1 1 1 136 1 1 11 ARG C C -3.291 6.340 -2.580 1.00 . A A . 11 ARG C 1 1 1 137 1 1 11 ARG CA C -2.029 7.112 -2.213 1.00 . A A . 11 ARG CA 1 1 1 138 1 1 11 ARG CB C -0.916 6.784 -3.212 1.00 . A A . 11 ARG CB 1 1 1 139 1 1 11 ARG CD C 0.124 9.075 -3.245 1.00 . A A . 11 ARG CD 1 1 1 140 1 1 11 ARG CG C 0.355 7.592 -3.002 1.00 . A A . 11 ARG CG 1 1 1 141 1 1 11 ARG CZ C 1.424 11.167 -3.277 1.00 . A A . 11 ARG CZ 1 1 1 142 1 1 11 ARG H H -0.690 6.456 -0.715 1.00 . A A . 11 ARG H 1 1 1 143 1 1 11 ARG HA H -2.241 8.169 -2.257 1.00 . A A . 11 ARG HA 1 1 1 144 1 1 11 ARG HB2 H -0.668 5.737 -3.126 1.00 . A A . 11 ARG HB2 1 1 1 145 1 1 11 ARG HB3 H -1.278 6.977 -4.212 1.00 . A A . 11 ARG HB3 1 1 1 146 1 1 11 ARG HD2 H -0.251 9.210 -4.248 1.00 . A A . 11 ARG HD2 1 1 1 147 1 1 11 ARG HD3 H -0.608 9.433 -2.537 1.00 . A A . 11 ARG HD3 1 1 1 148 1 1 11 ARG HE H 2.165 9.368 -2.835 1.00 . A A . 11 ARG HE 1 1 1 149 1 1 11 ARG HG2 H 0.694 7.452 -1.987 1.00 . A A . 11 ARG HG2 1 1 1 150 1 1 11 ARG HG3 H 1.111 7.238 -3.688 1.00 . A A . 11 ARG HG3 1 1 1 151 1 1 11 ARG HH11 H -0.529 11.381 -3.754 1.00 . A A . 11 ARG HH11 1 1 1 152 1 1 11 ARG HH12 H 0.403 12.841 -3.770 1.00 . A A . 11 ARG HH12 1 1 1 153 1 1 11 ARG HH21 H 3.395 11.282 -2.852 1.00 . A A . 11 ARG HH21 1 1 1 154 1 1 11 ARG HH22 H 2.634 12.784 -3.254 1.00 . A A . 11 ARG HH22 1 1 1 155 1 1 11 ARG N N -1.598 6.796 -0.856 1.00 . A A . 11 ARG N 1 1 1 156 1 1 11 ARG NE N 1.352 9.852 -3.091 1.00 . A A . 11 ARG NE 1 1 1 157 1 1 11 ARG NH1 N 0.343 11.852 -3.629 1.00 . A A . 11 ARG NH1 1 1 1 158 1 1 11 ARG NH2 N 2.578 11.796 -3.115 1.00 . A A . 11 ARG NH2 1 1 1 159 1 1 11 ARG O O -3.458 5.184 -2.189 1.00 . A A . 11 ARG O 1 1 1 160 1 1 12 SER C C -5.116 5.093 -4.568 1.00 . A A . 12 SER C 1 1 1 161 1 1 12 SER CA C -5.414 6.354 -3.768 1.00 . A A . 12 SER CA 1 1 1 162 1 1 12 SER CB C -6.241 7.325 -4.614 1.00 . A A . 12 SER CB 1 1 1 163 1 1 12 SER H H -3.977 7.899 -3.626 1.00 . A A . 12 SER H 1 1 1 164 1 1 12 SER HA H -5.974 6.086 -2.886 1.00 . A A . 12 SER HA 1 1 1 165 1 1 12 SER HB2 H -7.163 6.846 -4.908 1.00 . A A . 12 SER HB2 1 1 1 166 1 1 12 SER HB3 H -6.464 8.206 -4.031 1.00 . A A . 12 SER HB3 1 1 1 167 1 1 12 SER HG H -4.662 8.026 -5.538 1.00 . A A . 12 SER HG 1 1 1 168 1 1 12 SER N N -4.171 6.983 -3.340 1.00 . A A . 12 SER N 1 1 1 169 1 1 12 SER O O -5.848 4.106 -4.491 1.00 . A A . 12 SER O 1 1 1 170 1 1 12 SER OG O -5.537 7.714 -5.780 1.00 . A A . 12 SER OG 1 1 1 171 1 1 13 LYS C C -3.323 2.788 -5.279 1.00 . A A . 13 LYS C 1 1 1 172 1 1 13 LYS CA C -3.623 4.002 -6.153 1.00 . A A . 13 LYS CA 1 1 1 173 1 1 13 LYS CB C -2.393 4.365 -6.986 1.00 . A A . 13 LYS CB 1 1 1 174 1 1 13 LYS CD C -3.738 5.453 -8.816 1.00 . A A . 13 LYS CD 1 1 1 175 1 1 13 LYS CE C -3.936 6.710 -9.648 1.00 . A A . 13 LYS CE 1 1 1 176 1 1 13 LYS CG C -2.581 5.610 -7.842 1.00 . A A . 13 LYS CG 1 1 1 177 1 1 13 LYS H H -3.490 5.957 -5.348 1.00 . A A . 13 LYS H 1 1 1 178 1 1 13 LYS HA H -4.440 3.762 -6.816 1.00 . A A . 13 LYS HA 1 1 1 179 1 1 13 LYS HB2 H -1.559 4.535 -6.321 1.00 . A A . 13 LYS HB2 1 1 1 180 1 1 13 LYS HB3 H -2.158 3.538 -7.640 1.00 . A A . 13 LYS HB3 1 1 1 181 1 1 13 LYS HD2 H -3.532 4.625 -9.476 1.00 . A A . 13 LYS HD2 1 1 1 182 1 1 13 LYS HD3 H -4.641 5.256 -8.258 1.00 . A A . 13 LYS HD3 1 1 1 183 1 1 13 LYS HE2 H -3.033 6.901 -10.209 1.00 . A A . 13 LYS HE2 1 1 1 184 1 1 13 LYS HE3 H -4.757 6.549 -10.331 1.00 . A A . 13 LYS HE3 1 1 1 185 1 1 13 LYS HG2 H -2.781 6.451 -7.195 1.00 . A A . 13 LYS HG2 1 1 1 186 1 1 13 LYS HG3 H -1.673 5.791 -8.399 1.00 . A A . 13 LYS HG3 1 1 1 187 1 1 13 LYS HZ1 H -4.242 8.759 -9.378 1.00 . A A . 13 LYS HZ1 1 1 1 188 1 1 13 LYS HZ2 H -3.517 7.995 -8.055 1.00 . A A . 13 LYS HZ2 1 1 1 189 1 1 13 LYS HZ3 H -5.169 7.786 -8.350 1.00 . A A . 13 LYS HZ3 1 1 1 190 1 1 13 LYS N N -4.031 5.138 -5.334 1.00 . A A . 13 LYS N 1 1 1 191 1 1 13 LYS NZ N -4.238 7.896 -8.798 1.00 . A A . 13 LYS NZ 1 1 1 192 1 1 13 LYS O O -2.554 2.874 -4.322 1.00 . A A . 13 LYS O 1 1 1 193 1 1 14 CYS C C -2.358 -0.160 -5.097 1.00 . A A . 14 CYS C 1 1 1 194 1 1 14 CYS CA C -3.749 0.425 -4.861 1.00 . A A . 14 CYS CA 1 1 1 195 1 1 14 CYS CB C -4.831 -0.588 -5.246 1.00 . A A . 14 CYS CB 1 1 1 196 1 1 14 CYS H H -4.544 1.659 -6.385 1.00 . A A . 14 CYS H 1 1 1 197 1 1 14 CYS HA H -3.852 0.661 -3.812 1.00 . A A . 14 CYS HA 1 1 1 198 1 1 14 CYS HB2 H -4.746 -0.816 -6.299 1.00 . A A . 14 CYS HB2 1 1 1 199 1 1 14 CYS HB3 H -4.692 -1.491 -4.672 1.00 . A A . 14 CYS HB3 1 1 1 200 1 1 14 CYS N N -3.940 1.660 -5.614 1.00 . A A . 14 CYS N 1 1 1 201 1 1 14 CYS O O -1.886 -0.223 -6.232 1.00 . A A . 14 CYS O 1 1 1 202 1 1 14 CYS SG S -6.528 0.011 -4.940 1.00 . A A . 14 CYS SG 1 1 1 203 1 1 15 GLY C C 0.142 -1.683 -2.801 1.00 . A A . 15 GLY C 1 1 1 204 1 1 15 GLY CA C -0.372 -1.152 -4.126 1.00 . A A . 15 GLY CA 1 1 1 205 1 1 15 GLY H H -2.127 -0.507 -3.131 1.00 . A A . 15 GLY H 1 1 1 206 1 1 15 GLY HA2 H -0.396 -1.961 -4.841 1.00 . A A . 15 GLY HA2 1 1 1 207 1 1 15 GLY HA3 H 0.306 -0.390 -4.482 1.00 . A A . 15 GLY HA3 1 1 1 208 1 1 15 GLY N N -1.703 -0.583 -4.015 1.00 . A A . 15 GLY N 1 1 1 209 1 1 15 GLY O O 0.033 -1.014 -1.774 1.00 . A A . 15 GLY O 1 1 1 210 1 1 16 MET C C 2.188 -2.599 -0.883 1.00 . A A . 16 MET C 1 1 1 211 1 1 16 MET CA C 1.228 -3.526 -1.623 1.00 . A A . 16 MET CA 1 1 1 212 1 1 16 MET CB C 1.936 -4.833 -1.984 1.00 . A A . 16 MET CB 1 1 1 213 1 1 16 MET CE C 2.630 -7.164 -4.036 1.00 . A A . 16 MET CE 1 1 1 214 1 1 16 MET CG C 3.098 -4.653 -2.948 1.00 . A A . 16 MET CG 1 1 1 215 1 1 16 MET H H 0.750 -3.374 -3.679 1.00 . A A . 16 MET H 1 1 1 216 1 1 16 MET HA H 0.395 -3.748 -0.974 1.00 . A A . 16 MET HA 1 1 1 217 1 1 16 MET HB2 H 2.313 -5.287 -1.079 1.00 . A A . 16 MET HB2 1 1 1 218 1 1 16 MET HB3 H 1.220 -5.502 -2.439 1.00 . A A . 16 MET HB3 1 1 1 219 1 1 16 MET HE1 H 2.367 -6.746 -4.996 1.00 . A A . 16 MET HE1 1 1 1 220 1 1 16 MET HE2 H 1.768 -7.142 -3.385 1.00 . A A . 16 MET HE2 1 1 1 221 1 1 16 MET HE3 H 2.958 -8.185 -4.165 1.00 . A A . 16 MET HE3 1 1 1 222 1 1 16 MET HG2 H 2.720 -4.246 -3.874 1.00 . A A . 16 MET HG2 1 1 1 223 1 1 16 MET HG3 H 3.804 -3.960 -2.514 1.00 . A A . 16 MET HG3 1 1 1 224 1 1 16 MET N N 0.698 -2.892 -2.828 1.00 . A A . 16 MET N 1 1 1 225 1 1 16 MET O O 3.030 -1.943 -1.498 1.00 . A A . 16 MET O 1 1 1 226 1 1 16 MET SD S 3.954 -6.200 -3.307 1.00 . A A . 16 MET SD 1 1 1 227 1 1 17 CYS C C 3.947 -2.579 2.004 1.00 . A A . 17 CYS C 1 1 1 228 1 1 17 CYS CA C 2.933 -1.723 1.261 1.00 . A A . 17 CYS CA 1 1 1 229 1 1 17 CYS CB C 2.113 -0.892 2.252 1.00 . A A . 17 CYS CB 1 1 1 230 1 1 17 CYS H H 1.385 -3.114 0.882 1.00 . A A . 17 CYS H 1 1 1 231 1 1 17 CYS HA H 3.463 -1.054 0.599 1.00 . A A . 17 CYS HA 1 1 1 232 1 1 17 CYS HB2 H 1.369 -1.525 2.710 1.00 . A A . 17 CYS HB2 1 1 1 233 1 1 17 CYS HB3 H 2.773 -0.510 3.018 1.00 . A A . 17 CYS HB3 1 1 1 234 1 1 17 CYS N N 2.066 -2.558 0.443 1.00 . A A . 17 CYS N 1 1 1 235 1 1 17 CYS O O 3.621 -3.238 2.992 1.00 . A A . 17 CYS O 1 1 1 236 1 1 17 CYS SG S 1.247 0.528 1.507 1.00 . A A . 17 CYS SG 1 1 1 237 1 1 18 CYS C C 6.980 -2.522 3.165 1.00 . A A . 18 CYS C 1 1 1 238 1 1 18 CYS CA C 6.254 -3.338 2.105 1.00 . A A . 18 CYS CA 1 1 1 239 1 1 18 CYS CB C 7.226 -3.782 1.015 1.00 . A A . 18 CYS CB 1 1 1 240 1 1 18 CYS H H 5.363 -2.021 0.717 1.00 . A A . 18 CYS H 1 1 1 241 1 1 18 CYS HA H 5.820 -4.206 2.574 1.00 . A A . 18 CYS HA 1 1 1 242 1 1 18 CYS HB2 H 7.717 -2.910 0.607 1.00 . A A . 18 CYS HB2 1 1 1 243 1 1 18 CYS HB3 H 7.966 -4.440 1.447 1.00 . A A . 18 CYS HB3 1 1 1 244 1 1 18 CYS N N 5.176 -2.564 1.510 1.00 . A A . 18 CYS N 1 1 1 245 1 1 18 CYS O O 8.196 -2.341 3.105 1.00 . A A . 18 CYS O 1 1 1 246 1 1 18 CYS SG S 6.427 -4.667 -0.365 1.00 . A A . 18 CYS SG 1 1 1 247 1 1 19 LYS C C 6.773 -1.961 6.526 1.00 . A A . 19 LYS C 1 1 1 248 1 1 19 LYS CA C 6.781 -1.210 5.198 1.00 . A A . 19 LYS CA 1 1 1 249 1 1 19 LYS CB C 5.997 0.097 5.320 1.00 . A A . 19 LYS CB 1 1 1 250 1 1 19 LYS CD C 7.100 1.111 3.299 1.00 . A A . 19 LYS CD 1 1 1 251 1 1 19 LYS CE C 6.891 1.514 1.849 1.00 . A A . 19 LYS CE 1 1 1 252 1 1 19 LYS CG C 5.780 0.790 3.983 1.00 . A A . 19 LYS CG 1 1 1 253 1 1 19 LYS H H 5.255 -2.199 4.110 1.00 . A A . 19 LYS H 1 1 1 254 1 1 19 LYS HA H 7.802 -0.980 4.935 1.00 . A A . 19 LYS HA 1 1 1 255 1 1 19 LYS HB2 H 5.031 -0.114 5.755 1.00 . A A . 19 LYS HB2 1 1 1 256 1 1 19 LYS HB3 H 6.536 0.770 5.968 1.00 . A A . 19 LYS HB3 1 1 1 257 1 1 19 LYS HD2 H 7.579 1.926 3.822 1.00 . A A . 19 LYS HD2 1 1 1 258 1 1 19 LYS HD3 H 7.733 0.237 3.332 1.00 . A A . 19 LYS HD3 1 1 1 259 1 1 19 LYS HE2 H 7.848 1.764 1.417 1.00 . A A . 19 LYS HE2 1 1 1 260 1 1 19 LYS HE3 H 6.464 0.677 1.315 1.00 . A A . 19 LYS HE3 1 1 1 261 1 1 19 LYS HG2 H 5.203 0.142 3.342 1.00 . A A . 19 LYS HG2 1 1 1 262 1 1 19 LYS HG3 H 5.238 1.710 4.149 1.00 . A A . 19 LYS HG3 1 1 1 263 1 1 19 LYS HZ1 H 5.878 3.159 2.644 1.00 . A A . 19 LYS HZ1 1 1 1 264 1 1 19 LYS HZ2 H 5.046 2.381 1.394 1.00 . A A . 19 LYS HZ2 1 1 1 265 1 1 19 LYS HZ3 H 6.372 3.369 1.040 1.00 . A A . 19 LYS HZ3 1 1 1 266 1 1 19 LYS N N 6.219 -2.023 4.127 1.00 . A A . 19 LYS N 1 1 1 267 1 1 19 LYS NZ N 5.983 2.688 1.722 1.00 . A A . 19 LYS NZ 1 1 1 268 1 1 19 LYS O O 5.748 -2.502 6.941 1.00 . A A . 19 LYS O 1 1 1 269 1 1 20 THR C C 7.257 -1.961 9.556 1.00 . A A . 20 THR C 1 1 1 270 1 1 20 THR CA C 8.062 -2.666 8.469 1.00 . A A . 20 THR CA 1 1 1 271 1 1 20 THR CB C 9.538 -2.747 8.904 1.00 . A A . 20 THR CB 1 1 1 272 1 1 20 THR CG2 C 10.157 -1.359 8.988 1.00 . A A . 20 THR CG2 1 1 1 273 1 1 20 THR H H 8.706 -1.534 6.803 1.00 . A A . 20 THR H 1 1 1 274 1 1 20 THR HA H 7.687 -3.673 8.353 1.00 . A A . 20 THR HA 1 1 1 275 1 1 20 THR HB H 10.082 -3.322 8.169 1.00 . A A . 20 THR HB 1 1 1 276 1 1 20 THR HG1 H 10.537 -3.722 10.298 1.00 . A A . 20 THR HG1 1 1 1 277 1 1 20 THR HG21 H 9.957 -0.934 9.960 1.00 . A A . 20 THR HG21 1 1 1 278 1 1 20 THR HG22 H 9.728 -0.727 8.224 1.00 . A A . 20 THR HG22 1 1 1 279 1 1 20 THR HG23 H 11.224 -1.431 8.839 1.00 . A A . 20 THR HG23 1 1 1 280 1 1 20 THR N N 7.926 -1.986 7.188 1.00 . A A . 20 THR N 1 1 1 281 1 1 20 THR O O 7.116 -2.538 10.655 1.00 . A A . 20 THR O 1 1 1 282 1 1 20 THR OXT O 6.776 -0.837 9.301 1.00 . A A . 20 THR OXT 1 1 1 283 1 1 20 THR OG1 O 9.642 -3.399 10.176 1.00 . A A . 20 THR OG1 1 1 2 284 1 1 1 ILE C C 3.263 -8.800 2.198 1.00 . A A . 1 ILE C 1 1 2 285 1 1 1 ILE CA C 3.818 -10.172 1.829 1.00 . A A . 1 ILE CA 1 1 2 286 1 1 1 ILE CB C 2.727 -10.977 1.091 1.00 . A A . 1 ILE CB 1 1 2 287 1 1 1 ILE CD1 C 0.413 -12.018 1.360 1.00 . A A . 1 ILE CD1 1 1 2 288 1 1 1 ILE CG1 C 1.554 -11.279 2.029 1.00 . A A . 1 ILE CG1 1 1 2 289 1 1 1 ILE CG2 C 3.313 -12.267 0.531 1.00 . A A . 1 ILE CG2 1 1 2 290 1 1 1 ILE H1 H 4.414 -10.235 3.827 1.00 . A A . 1 ILE H1 1 1 2 291 1 1 1 ILE H2 H 5.219 -11.343 2.836 1.00 . A A . 1 ILE H2 1 1 2 292 1 1 1 ILE H3 H 3.620 -11.634 3.304 1.00 . A A . 1 ILE H3 1 1 2 293 1 1 1 ILE HA H 4.654 -10.039 1.157 1.00 . A A . 1 ILE HA 1 1 2 294 1 1 1 ILE HB H 2.374 -10.383 0.261 1.00 . A A . 1 ILE HB 1 1 2 295 1 1 1 ILE HD11 H 0.295 -11.657 0.348 1.00 . A A . 1 ILE HD11 1 1 2 296 1 1 1 ILE HD12 H -0.499 -11.848 1.912 1.00 . A A . 1 ILE HD12 1 1 2 297 1 1 1 ILE HD13 H 0.632 -13.075 1.342 1.00 . A A . 1 ILE HD13 1 1 2 298 1 1 1 ILE HG12 H 1.905 -11.887 2.849 1.00 . A A . 1 ILE HG12 1 1 2 299 1 1 1 ILE HG13 H 1.164 -10.349 2.417 1.00 . A A . 1 ILE HG13 1 1 2 300 1 1 1 ILE HG21 H 4.254 -12.054 0.045 1.00 . A A . 1 ILE HG21 1 1 2 301 1 1 1 ILE HG22 H 2.626 -12.692 -0.185 1.00 . A A . 1 ILE HG22 1 1 2 302 1 1 1 ILE HG23 H 3.475 -12.967 1.337 1.00 . A A . 1 ILE HG23 1 1 2 303 1 1 1 ILE N N 4.300 -10.897 3.033 1.00 . A A . 1 ILE N 1 1 2 304 1 1 1 ILE O O 2.509 -8.662 3.162 1.00 . A A . 1 ILE O 1 1 2 305 1 1 2 CYS C C 1.661 -6.346 1.530 1.00 . A A . 2 CYS C 1 1 2 306 1 1 2 CYS CA C 3.180 -6.425 1.669 1.00 . A A . 2 CYS CA 1 1 2 307 1 1 2 CYS CB C 3.863 -5.452 0.709 1.00 . A A . 2 CYS CB 1 1 2 308 1 1 2 CYS H H 4.245 -7.958 0.670 1.00 . A A . 2 CYS H 1 1 2 309 1 1 2 CYS HA H 3.449 -6.164 2.681 1.00 . A A . 2 CYS HA 1 1 2 310 1 1 2 CYS HB2 H 3.539 -5.663 -0.299 1.00 . A A . 2 CYS HB2 1 1 2 311 1 1 2 CYS HB3 H 3.581 -4.444 0.972 1.00 . A A . 2 CYS HB3 1 1 2 312 1 1 2 CYS N N 3.642 -7.786 1.423 1.00 . A A . 2 CYS N 1 1 2 313 1 1 2 CYS O O 1.073 -6.908 0.601 1.00 . A A . 2 CYS O 1 1 2 314 1 1 2 CYS SG S 5.685 -5.545 0.740 1.00 . A A . 2 CYS SG 1 1 2 315 1 1 3 ILE C C -0.891 -4.549 1.382 1.00 . A A . 3 ILE C 1 1 2 316 1 1 3 ILE CA C -0.424 -5.534 2.441 1.00 . A A . 3 ILE CA 1 1 2 317 1 1 3 ILE CB C -0.988 -5.126 3.816 1.00 . A A . 3 ILE CB 1 1 2 318 1 1 3 ILE CD1 C -0.800 -3.400 5.684 1.00 . A A . 3 ILE CD1 1 1 2 319 1 1 3 ILE CG1 C -0.255 -3.898 4.362 1.00 . A A . 3 ILE CG1 1 1 2 320 1 1 3 ILE CG2 C -0.891 -6.290 4.792 1.00 . A A . 3 ILE CG2 1 1 2 321 1 1 3 ILE H H 1.531 -5.228 3.180 1.00 . A A . 3 ILE H 1 1 2 322 1 1 3 ILE HA H -0.825 -6.507 2.198 1.00 . A A . 3 ILE HA 1 1 2 323 1 1 3 ILE HB H -2.032 -4.886 3.687 1.00 . A A . 3 ILE HB 1 1 2 324 1 1 3 ILE HD11 H -0.781 -4.201 6.406 1.00 . A A . 3 ILE HD11 1 1 2 325 1 1 3 ILE HD12 H -1.816 -3.059 5.549 1.00 . A A . 3 ILE HD12 1 1 2 326 1 1 3 ILE HD13 H -0.190 -2.581 6.039 1.00 . A A . 3 ILE HD13 1 1 2 327 1 1 3 ILE HG12 H 0.787 -4.144 4.506 1.00 . A A . 3 ILE HG12 1 1 2 328 1 1 3 ILE HG13 H -0.334 -3.094 3.646 1.00 . A A . 3 ILE HG13 1 1 2 329 1 1 3 ILE HG21 H -0.313 -5.991 5.655 1.00 . A A . 3 ILE HG21 1 1 2 330 1 1 3 ILE HG22 H -0.408 -7.127 4.308 1.00 . A A . 3 ILE HG22 1 1 2 331 1 1 3 ILE HG23 H -1.882 -6.581 5.106 1.00 . A A . 3 ILE HG23 1 1 2 332 1 1 3 ILE N N 1.022 -5.657 2.464 1.00 . A A . 3 ILE N 1 1 2 333 1 1 3 ILE O O -0.928 -3.341 1.614 1.00 . A A . 3 ILE O 1 1 2 334 1 1 4 PHE C C -2.756 -3.255 -0.383 1.00 . A A . 4 PHE C 1 1 2 335 1 1 4 PHE CA C -1.746 -4.279 -0.895 1.00 . A A . 4 PHE CA 1 1 2 336 1 1 4 PHE CB C -2.393 -5.187 -1.947 1.00 . A A . 4 PHE CB 1 1 2 337 1 1 4 PHE CD1 C -1.596 -3.793 -3.878 1.00 . A A . 4 PHE CD1 1 1 2 338 1 1 4 PHE CD2 C -3.806 -4.684 -3.958 1.00 . A A . 4 PHE CD2 1 1 2 339 1 1 4 PHE CE1 C -1.784 -3.206 -5.114 1.00 . A A . 4 PHE CE1 1 1 2 340 1 1 4 PHE CE2 C -4.000 -4.100 -5.196 1.00 . A A . 4 PHE CE2 1 1 2 341 1 1 4 PHE CG C -2.603 -4.536 -3.285 1.00 . A A . 4 PHE CG 1 1 2 342 1 1 4 PHE CZ C -2.987 -3.361 -5.775 1.00 . A A . 4 PHE CZ 1 1 2 343 1 1 4 PHE H H -1.197 -6.063 0.118 1.00 . A A . 4 PHE H 1 1 2 344 1 1 4 PHE HA H -0.906 -3.760 -1.334 1.00 . A A . 4 PHE HA 1 1 2 345 1 1 4 PHE HB2 H -1.764 -6.051 -2.098 1.00 . A A . 4 PHE HB2 1 1 2 346 1 1 4 PHE HB3 H -3.356 -5.513 -1.582 1.00 . A A . 4 PHE HB3 1 1 2 347 1 1 4 PHE HD1 H -0.654 -3.669 -3.360 1.00 . A A . 4 PHE HD1 1 1 2 348 1 1 4 PHE HD2 H -4.599 -5.261 -3.506 1.00 . A A . 4 PHE HD2 1 1 2 349 1 1 4 PHE HE1 H -0.990 -2.628 -5.565 1.00 . A A . 4 PHE HE1 1 1 2 350 1 1 4 PHE HE2 H -4.941 -4.223 -5.710 1.00 . A A . 4 PHE HE2 1 1 2 351 1 1 4 PHE HZ H -3.136 -2.904 -6.742 1.00 . A A . 4 PHE HZ 1 1 2 352 1 1 4 PHE N N -1.257 -5.088 0.221 1.00 . A A . 4 PHE N 1 1 2 353 1 1 4 PHE O O -3.943 -3.551 -0.241 1.00 . A A . 4 PHE O 1 1 2 354 1 1 5 CYS C C -3.663 -0.090 -0.617 1.00 . A A . 5 CYS C 1 1 2 355 1 1 5 CYS CA C -3.097 -0.995 0.471 1.00 . A A . 5 CYS CA 1 1 2 356 1 1 5 CYS CB C -2.295 -0.177 1.491 1.00 . A A . 5 CYS CB 1 1 2 357 1 1 5 CYS H H -1.303 -1.898 -0.191 1.00 . A A . 5 CYS H 1 1 2 358 1 1 5 CYS HA H -3.923 -1.463 0.985 1.00 . A A . 5 CYS HA 1 1 2 359 1 1 5 CYS HB2 H -2.829 0.735 1.709 1.00 . A A . 5 CYS HB2 1 1 2 360 1 1 5 CYS HB3 H -2.191 -0.753 2.399 1.00 . A A . 5 CYS HB3 1 1 2 361 1 1 5 CYS N N -2.262 -2.061 -0.070 1.00 . A A . 5 CYS N 1 1 2 362 1 1 5 CYS O O -2.919 0.544 -1.365 1.00 . A A . 5 CYS O 1 1 2 363 1 1 5 CYS SG S -0.621 0.283 0.931 1.00 . A A . 5 CYS SG 1 1 2 364 1 1 6 CYS C C -5.931 2.209 -1.102 1.00 . A A . 6 CYS C 1 1 2 365 1 1 6 CYS CA C -5.673 0.817 -1.659 1.00 . A A . 6 CYS CA 1 1 2 366 1 1 6 CYS CB C -6.984 0.173 -2.108 1.00 . A A . 6 CYS CB 1 1 2 367 1 1 6 CYS H H -5.525 -0.543 -0.047 1.00 . A A . 6 CYS H 1 1 2 368 1 1 6 CYS HA H -5.020 0.914 -2.513 1.00 . A A . 6 CYS HA 1 1 2 369 1 1 6 CYS HB2 H -7.487 -0.241 -1.248 1.00 . A A . 6 CYS HB2 1 1 2 370 1 1 6 CYS HB3 H -7.612 0.929 -2.559 1.00 . A A . 6 CYS HB3 1 1 2 371 1 1 6 CYS N N -4.990 -0.023 -0.683 1.00 . A A . 6 CYS N 1 1 2 372 1 1 6 CYS O O -7.079 2.627 -0.945 1.00 . A A . 6 CYS O 1 1 2 373 1 1 6 CYS SG S -6.772 -1.166 -3.323 1.00 . A A . 6 CYS SG 1 1 2 374 1 1 7 GLY C C -5.439 4.287 1.170 1.00 . A A . 7 GLY C 1 1 2 375 1 1 7 GLY CA C -4.976 4.263 -0.271 1.00 . A A . 7 GLY CA 1 1 2 376 1 1 7 GLY H H -3.968 2.531 -0.959 1.00 . A A . 7 GLY H 1 1 2 377 1 1 7 GLY HA2 H -4.015 4.751 -0.335 1.00 . A A . 7 GLY HA2 1 1 2 378 1 1 7 GLY HA3 H -5.684 4.813 -0.873 1.00 . A A . 7 GLY HA3 1 1 2 379 1 1 7 GLY N N -4.855 2.921 -0.806 1.00 . A A . 7 GLY N 1 1 2 380 1 1 7 GLY O O -6.363 5.024 1.517 1.00 . A A . 7 GLY O 1 1 2 381 1 1 8 CYS C C -4.941 4.766 4.078 1.00 . A A . 8 CYS C 1 1 2 382 1 1 8 CYS CA C -5.147 3.429 3.425 1.00 . A A . 8 CYS CA 1 1 2 383 1 1 8 CYS CB C -4.247 2.438 4.185 1.00 . A A . 8 CYS CB 1 1 2 384 1 1 8 CYS H H -4.064 2.925 1.677 1.00 . A A . 8 CYS H 1 1 2 385 1 1 8 CYS HA H -6.178 3.128 3.519 1.00 . A A . 8 CYS HA 1 1 2 386 1 1 8 CYS HB2 H -4.693 2.229 5.146 1.00 . A A . 8 CYS HB2 1 1 2 387 1 1 8 CYS HB3 H -4.185 1.520 3.619 1.00 . A A . 8 CYS HB3 1 1 2 388 1 1 8 CYS N N -4.795 3.486 2.012 1.00 . A A . 8 CYS N 1 1 2 389 1 1 8 CYS O O -5.776 5.259 4.837 1.00 . A A . 8 CYS O 1 1 2 390 1 1 8 CYS SG S -2.522 3.029 4.487 1.00 . A A . 8 CYS SG 1 1 2 391 1 1 9 CYS C C -2.756 7.487 3.480 1.00 . A A . 9 CYS C 1 1 2 392 1 1 9 CYS CA C -3.309 6.476 4.483 1.00 . A A . 9 CYS CA 1 1 2 393 1 1 9 CYS CB C -2.255 6.012 5.477 1.00 . A A . 9 CYS CB 1 1 2 394 1 1 9 CYS H H -3.121 4.770 3.302 1.00 . A A . 9 CYS H 1 1 2 395 1 1 9 CYS HA H -4.135 6.911 5.021 1.00 . A A . 9 CYS HA 1 1 2 396 1 1 9 CYS HB2 H -1.289 5.997 4.994 1.00 . A A . 9 CYS HB2 1 1 2 397 1 1 9 CYS HB3 H -2.230 6.690 6.316 1.00 . A A . 9 CYS HB3 1 1 2 398 1 1 9 CYS N N -3.754 5.273 3.855 1.00 . A A . 9 CYS N 1 1 2 399 1 1 9 CYS O O -3.208 8.631 3.423 1.00 . A A . 9 CYS O 1 1 2 400 1 1 9 CYS SG S -2.601 4.319 6.125 1.00 . A A . 9 CYS SG 1 1 2 401 1 1 10 HIS C C -1.981 7.985 0.409 1.00 . A A . 10 HIS C 1 1 2 402 1 1 10 HIS CA C -1.149 7.923 1.694 1.00 . A A . 10 HIS CA 1 1 2 403 1 1 10 HIS CB C 0.276 7.444 1.399 1.00 . A A . 10 HIS CB 1 1 2 404 1 1 10 HIS CD2 C 1.052 4.986 1.687 1.00 . A A . 10 HIS CD2 1 1 2 405 1 1 10 HIS CE1 C -0.005 4.109 -0.021 1.00 . A A . 10 HIS CE1 1 1 2 406 1 1 10 HIS CG C 0.371 5.984 1.075 1.00 . A A . 10 HIS CG 1 1 2 407 1 1 10 HIS H H -1.452 6.135 2.790 1.00 . A A . 10 HIS H 1 1 2 408 1 1 10 HIS HA H -1.098 8.916 2.115 1.00 . A A . 10 HIS HA 1 1 2 409 1 1 10 HIS HB2 H 0.664 7.995 0.556 1.00 . A A . 10 HIS HB2 1 1 2 410 1 1 10 HIS HB3 H 0.897 7.635 2.262 1.00 . A A . 10 HIS HB3 1 1 2 411 1 1 10 HIS HD1 H -0.859 5.865 -0.631 1.00 . A A . 10 HIS HD1 1 1 2 412 1 1 10 HIS HD2 H 1.678 5.080 2.563 1.00 . A A . 10 HIS HD2 1 1 2 413 1 1 10 HIS HE1 H -0.375 3.400 -0.747 1.00 . A A . 10 HIS HE1 1 1 2 414 1 1 10 HIS HE2 H 1.104 2.936 1.240 1.00 . A A . 10 HIS HE2 1 1 2 415 1 1 10 HIS N N -1.772 7.057 2.693 1.00 . A A . 10 HIS N 1 1 2 416 1 1 10 HIS ND1 N -0.280 5.401 0.008 1.00 . A A . 10 HIS ND1 1 1 2 417 1 1 10 HIS NE2 N 0.802 3.832 0.986 1.00 . A A . 10 HIS NE2 1 1 2 418 1 1 10 HIS O O -3.205 8.104 0.462 1.00 . A A . 10 HIS O 1 1 2 419 1 1 11 ARG C C -3.112 6.953 -2.116 1.00 . A A . 11 ARG C 1 1 2 420 1 1 11 ARG CA C -1.982 7.977 -2.037 1.00 . A A . 11 ARG CA 1 1 2 421 1 1 11 ARG CB C -0.979 7.743 -3.170 1.00 . A A . 11 ARG CB 1 1 2 422 1 1 11 ARG CD C 0.698 6.219 -4.251 1.00 . A A . 11 ARG CD 1 1 2 423 1 1 11 ARG CG C -0.339 6.365 -3.149 1.00 . A A . 11 ARG CG 1 1 2 424 1 1 11 ARG CZ C 0.845 6.446 -6.698 1.00 . A A . 11 ARG CZ 1 1 2 425 1 1 11 ARG H H -0.332 7.832 -0.721 1.00 . A A . 11 ARG H 1 1 2 426 1 1 11 ARG HA H -2.405 8.965 -2.143 1.00 . A A . 11 ARG HA 1 1 2 427 1 1 11 ARG HB2 H -1.487 7.866 -4.116 1.00 . A A . 11 ARG HB2 1 1 2 428 1 1 11 ARG HB3 H -0.195 8.481 -3.096 1.00 . A A . 11 ARG HB3 1 1 2 429 1 1 11 ARG HD2 H 1.501 6.918 -4.068 1.00 . A A . 11 ARG HD2 1 1 2 430 1 1 11 ARG HD3 H 1.088 5.211 -4.229 1.00 . A A . 11 ARG HD3 1 1 2 431 1 1 11 ARG HE H -0.819 6.695 -5.625 1.00 . A A . 11 ARG HE 1 1 2 432 1 1 11 ARG HG2 H 0.141 6.216 -2.194 1.00 . A A . 11 ARG HG2 1 1 2 433 1 1 11 ARG HG3 H -1.108 5.619 -3.288 1.00 . A A . 11 ARG HG3 1 1 2 434 1 1 11 ARG HH11 H 2.584 5.959 -5.788 1.00 . A A . 11 ARG HH11 1 1 2 435 1 1 11 ARG HH12 H 2.670 6.130 -7.510 1.00 . A A . 11 ARG HH12 1 1 2 436 1 1 11 ARG HH21 H -0.714 6.920 -7.894 1.00 . A A . 11 ARG HH21 1 1 2 437 1 1 11 ARG HH22 H 0.796 6.675 -8.705 1.00 . A A . 11 ARG HH22 1 1 2 438 1 1 11 ARG N N -1.307 7.917 -0.743 1.00 . A A . 11 ARG N 1 1 2 439 1 1 11 ARG NE N 0.135 6.480 -5.574 1.00 . A A . 11 ARG NE 1 1 2 440 1 1 11 ARG NH1 N 2.139 6.154 -6.663 1.00 . A A . 11 ARG NH1 1 1 2 441 1 1 11 ARG NH2 N 0.261 6.700 -7.861 1.00 . A A . 11 ARG NH2 1 1 2 442 1 1 11 ARG O O -2.967 5.820 -1.666 1.00 . A A . 11 ARG O 1 1 2 443 1 1 12 SER C C -5.091 5.280 -3.674 1.00 . A A . 12 SER C 1 1 2 444 1 1 12 SER CA C -5.407 6.507 -2.829 1.00 . A A . 12 SER CA 1 1 2 445 1 1 12 SER CB C -6.567 7.283 -3.453 1.00 . A A . 12 SER CB 1 1 2 446 1 1 12 SER H H -4.285 8.288 -3.028 1.00 . A A . 12 SER H 1 1 2 447 1 1 12 SER HA H -5.696 6.183 -1.841 1.00 . A A . 12 SER HA 1 1 2 448 1 1 12 SER HB2 H -6.812 8.127 -2.827 1.00 . A A . 12 SER HB2 1 1 2 449 1 1 12 SER HB3 H -6.277 7.633 -4.433 1.00 . A A . 12 SER HB3 1 1 2 450 1 1 12 SER HG H -7.703 5.783 -2.908 1.00 . A A . 12 SER HG 1 1 2 451 1 1 12 SER N N -4.238 7.372 -2.690 1.00 . A A . 12 SER N 1 1 2 452 1 1 12 SER O O -5.625 4.196 -3.435 1.00 . A A . 12 SER O 1 1 2 453 1 1 12 SER OG O -7.717 6.465 -3.583 1.00 . A A . 12 SER OG 1 1 2 454 1 1 13 LYS C C -3.417 3.133 -4.792 1.00 . A A . 13 LYS C 1 1 2 455 1 1 13 LYS CA C -3.846 4.377 -5.568 1.00 . A A . 13 LYS CA 1 1 2 456 1 1 13 LYS CB C -2.711 4.829 -6.489 1.00 . A A . 13 LYS CB 1 1 2 457 1 1 13 LYS CD C -4.212 5.637 -8.340 1.00 . A A . 13 LYS CD 1 1 2 458 1 1 13 LYS CE C -4.574 6.804 -9.241 1.00 . A A . 13 LYS CE 1 1 2 459 1 1 13 LYS CG C -3.080 5.997 -7.391 1.00 . A A . 13 LYS CG 1 1 2 460 1 1 13 LYS H H -3.850 6.358 -4.807 1.00 . A A . 13 LYS H 1 1 2 461 1 1 13 LYS HA H -4.707 4.130 -6.171 1.00 . A A . 13 LYS HA 1 1 2 462 1 1 13 LYS HB2 H -1.868 5.125 -5.883 1.00 . A A . 13 LYS HB2 1 1 2 463 1 1 13 LYS HB3 H -2.419 3.999 -7.114 1.00 . A A . 13 LYS HB3 1 1 2 464 1 1 13 LYS HD2 H -3.901 4.804 -8.954 1.00 . A A . 13 LYS HD2 1 1 2 465 1 1 13 LYS HD3 H -5.079 5.356 -7.761 1.00 . A A . 13 LYS HD3 1 1 2 466 1 1 13 LYS HE2 H -3.713 7.062 -9.841 1.00 . A A . 13 LYS HE2 1 1 2 467 1 1 13 LYS HE3 H -5.386 6.506 -9.887 1.00 . A A . 13 LYS HE3 1 1 2 468 1 1 13 LYS HG2 H -3.393 6.829 -6.777 1.00 . A A . 13 LYS HG2 1 1 2 469 1 1 13 LYS HG3 H -2.213 6.281 -7.969 1.00 . A A . 13 LYS HG3 1 1 2 470 1 1 13 LYS HZ1 H -4.202 8.672 -8.383 1.00 . A A . 13 LYS HZ1 1 1 2 471 1 1 13 LYS HZ2 H -5.282 7.714 -7.500 1.00 . A A . 13 LYS HZ2 1 1 2 472 1 1 13 LYS HZ3 H -5.794 8.470 -8.923 1.00 . A A . 13 LYS HZ3 1 1 2 473 1 1 13 LYS N N -4.231 5.464 -4.669 1.00 . A A . 13 LYS N 1 1 2 474 1 1 13 LYS NZ N -4.992 7.999 -8.457 1.00 . A A . 13 LYS NZ 1 1 2 475 1 1 13 LYS O O -2.624 3.215 -3.853 1.00 . A A . 13 LYS O 1 1 2 476 1 1 14 CYS C C -2.136 0.390 -4.719 1.00 . A A . 14 CYS C 1 1 2 477 1 1 14 CYS CA C -3.618 0.711 -4.555 1.00 . A A . 14 CYS CA 1 1 2 478 1 1 14 CYS CB C -4.455 -0.423 -5.150 1.00 . A A . 14 CYS CB 1 1 2 479 1 1 14 CYS H H -4.566 1.983 -5.957 1.00 . A A . 14 CYS H 1 1 2 480 1 1 14 CYS HA H -3.841 0.801 -3.503 1.00 . A A . 14 CYS HA 1 1 2 481 1 1 14 CYS HB2 H -4.213 -0.526 -6.197 1.00 . A A . 14 CYS HB2 1 1 2 482 1 1 14 CYS HB3 H -4.211 -1.344 -4.639 1.00 . A A . 14 CYS HB3 1 1 2 483 1 1 14 CYS N N -3.944 1.980 -5.200 1.00 . A A . 14 CYS N 1 1 2 484 1 1 14 CYS O O -1.539 0.683 -5.754 1.00 . A A . 14 CYS O 1 1 2 485 1 1 14 CYS SG S -6.258 -0.181 -5.025 1.00 . A A . 14 CYS SG 1 1 2 486 1 1 15 GLY C C 0.277 -1.351 -2.529 1.00 . A A . 15 GLY C 1 1 2 487 1 1 15 GLY CA C -0.145 -0.568 -3.747 1.00 . A A . 15 GLY CA 1 1 2 488 1 1 15 GLY H H -2.074 -0.431 -2.887 1.00 . A A . 15 GLY H 1 1 2 489 1 1 15 GLY HA2 H 0.036 -1.163 -4.630 1.00 . A A . 15 GLY HA2 1 1 2 490 1 1 15 GLY HA3 H 0.444 0.336 -3.804 1.00 . A A . 15 GLY HA3 1 1 2 491 1 1 15 GLY N N -1.549 -0.216 -3.692 1.00 . A A . 15 GLY N 1 1 2 492 1 1 15 GLY O O -0.094 -1.006 -1.414 1.00 . A A . 15 GLY O 1 1 2 493 1 1 16 MET C C 2.170 -2.392 -0.555 1.00 . A A . 16 MET C 1 1 2 494 1 1 16 MET CA C 1.490 -3.243 -1.624 1.00 . A A . 16 MET CA 1 1 2 495 1 1 16 MET CB C 2.450 -4.325 -2.126 1.00 . A A . 16 MET CB 1 1 2 496 1 1 16 MET CE C 4.362 -5.555 -4.328 1.00 . A A . 16 MET CE 1 1 2 497 1 1 16 MET CG C 1.851 -5.229 -3.192 1.00 . A A . 16 MET CG 1 1 2 498 1 1 16 MET H H 1.301 -2.652 -3.649 1.00 . A A . 16 MET H 1 1 2 499 1 1 16 MET HA H 0.620 -3.716 -1.194 1.00 . A A . 16 MET HA 1 1 2 500 1 1 16 MET HB2 H 3.326 -3.847 -2.541 1.00 . A A . 16 MET HB2 1 1 2 501 1 1 16 MET HB3 H 2.748 -4.939 -1.291 1.00 . A A . 16 MET HB3 1 1 2 502 1 1 16 MET HE1 H 4.804 -5.007 -3.509 1.00 . A A . 16 MET HE1 1 1 2 503 1 1 16 MET HE2 H 4.010 -4.861 -5.077 1.00 . A A . 16 MET HE2 1 1 2 504 1 1 16 MET HE3 H 5.102 -6.210 -4.763 1.00 . A A . 16 MET HE3 1 1 2 505 1 1 16 MET HG2 H 0.961 -5.691 -2.794 1.00 . A A . 16 MET HG2 1 1 2 506 1 1 16 MET HG3 H 1.591 -4.627 -4.050 1.00 . A A . 16 MET HG3 1 1 2 507 1 1 16 MET N N 1.041 -2.415 -2.734 1.00 . A A . 16 MET N 1 1 2 508 1 1 16 MET O O 3.133 -1.678 -0.840 1.00 . A A . 16 MET O 1 1 2 509 1 1 16 MET SD S 2.986 -6.527 -3.720 1.00 . A A . 16 MET SD 1 1 2 510 1 1 17 CYS C C 3.362 -2.523 2.445 1.00 . A A . 17 CYS C 1 1 2 511 1 1 17 CYS CA C 2.251 -1.719 1.783 1.00 . A A . 17 CYS CA 1 1 2 512 1 1 17 CYS CB C 1.175 -1.349 2.810 1.00 . A A . 17 CYS CB 1 1 2 513 1 1 17 CYS H H 0.914 -3.074 0.855 1.00 . A A . 17 CYS H 1 1 2 514 1 1 17 CYS HA H 2.674 -0.813 1.375 1.00 . A A . 17 CYS HA 1 1 2 515 1 1 17 CYS HB2 H 0.352 -2.043 2.721 1.00 . A A . 17 CYS HB2 1 1 2 516 1 1 17 CYS HB3 H 1.596 -1.430 3.801 1.00 . A A . 17 CYS HB3 1 1 2 517 1 1 17 CYS N N 1.673 -2.478 0.679 1.00 . A A . 17 CYS N 1 1 2 518 1 1 17 CYS O O 3.102 -3.519 3.123 1.00 . A A . 17 CYS O 1 1 2 519 1 1 17 CYS SG S 0.491 0.337 2.634 1.00 . A A . 17 CYS SG 1 1 2 520 1 1 18 CYS C C 6.291 -2.029 4.008 1.00 . A A . 18 CYS C 1 1 2 521 1 1 18 CYS CA C 5.755 -2.775 2.797 1.00 . A A . 18 CYS CA 1 1 2 522 1 1 18 CYS CB C 6.848 -2.916 1.738 1.00 . A A . 18 CYS CB 1 1 2 523 1 1 18 CYS H H 4.739 -1.298 1.676 1.00 . A A . 18 CYS H 1 1 2 524 1 1 18 CYS HA H 5.437 -3.755 3.112 1.00 . A A . 18 CYS HA 1 1 2 525 1 1 18 CYS HB2 H 7.230 -1.934 1.498 1.00 . A A . 18 CYS HB2 1 1 2 526 1 1 18 CYS HB3 H 7.650 -3.520 2.138 1.00 . A A . 18 CYS HB3 1 1 2 527 1 1 18 CYS N N 4.599 -2.092 2.234 1.00 . A A . 18 CYS N 1 1 2 528 1 1 18 CYS O O 7.484 -1.731 4.098 1.00 . A A . 18 CYS O 1 1 2 529 1 1 18 CYS SG S 6.289 -3.688 0.183 1.00 . A A . 18 CYS SG 1 1 2 530 1 1 19 LYS C C 6.437 -1.943 7.157 1.00 . A A . 19 LYS C 1 1 2 531 1 1 19 LYS CA C 5.767 -1.012 6.152 1.00 . A A . 19 LYS CA 1 1 2 532 1 1 19 LYS CB C 4.533 -0.361 6.778 1.00 . A A . 19 LYS CB 1 1 2 533 1 1 19 LYS CD C 4.597 1.757 5.380 1.00 . A A . 19 LYS CD 1 1 2 534 1 1 19 LYS CE C 5.466 1.423 4.174 1.00 . A A . 19 LYS CE 1 1 2 535 1 1 19 LYS CG C 3.764 0.563 5.836 1.00 . A A . 19 LYS CG 1 1 2 536 1 1 19 LYS H H 4.467 -1.998 4.800 1.00 . A A . 19 LYS H 1 1 2 537 1 1 19 LYS HA H 6.469 -0.239 5.877 1.00 . A A . 19 LYS HA 1 1 2 538 1 1 19 LYS HB2 H 3.861 -1.139 7.107 1.00 . A A . 19 LYS HB2 1 1 2 539 1 1 19 LYS HB3 H 4.845 0.218 7.636 1.00 . A A . 19 LYS HB3 1 1 2 540 1 1 19 LYS HD2 H 3.931 2.565 5.114 1.00 . A A . 19 LYS HD2 1 1 2 541 1 1 19 LYS HD3 H 5.232 2.070 6.194 1.00 . A A . 19 LYS HD3 1 1 2 542 1 1 19 LYS HE2 H 6.113 0.596 4.428 1.00 . A A . 19 LYS HE2 1 1 2 543 1 1 19 LYS HE3 H 4.826 1.137 3.352 1.00 . A A . 19 LYS HE3 1 1 2 544 1 1 19 LYS HG2 H 3.463 -0.001 4.967 1.00 . A A . 19 LYS HG2 1 1 2 545 1 1 19 LYS HG3 H 2.884 0.926 6.349 1.00 . A A . 19 LYS HG3 1 1 2 546 1 1 19 LYS HZ1 H 6.589 2.474 2.761 1.00 . A A . 19 LYS HZ1 1 1 2 547 1 1 19 LYS HZ2 H 7.160 2.634 4.344 1.00 . A A . 19 LYS HZ2 1 1 2 548 1 1 19 LYS HZ3 H 5.769 3.465 3.859 1.00 . A A . 19 LYS HZ3 1 1 2 549 1 1 19 LYS N N 5.398 -1.729 4.937 1.00 . A A . 19 LYS N 1 1 2 550 1 1 19 LYS NZ N 6.305 2.580 3.756 1.00 . A A . 19 LYS NZ 1 1 2 551 1 1 19 LYS O O 5.965 -3.053 7.400 1.00 . A A . 19 LYS O 1 1 2 552 1 1 20 THR C C 7.426 -2.542 9.956 1.00 . A A . 20 THR C 1 1 2 553 1 1 20 THR CA C 8.276 -2.272 8.719 1.00 . A A . 20 THR CA 1 1 2 554 1 1 20 THR CB C 9.577 -1.568 9.150 1.00 . A A . 20 THR CB 1 1 2 555 1 1 20 THR CG2 C 10.503 -1.363 7.960 1.00 . A A . 20 THR CG2 1 1 2 556 1 1 20 THR H H 7.868 -0.588 7.503 1.00 . A A . 20 THR H 1 1 2 557 1 1 20 THR HA H 8.537 -3.215 8.260 1.00 . A A . 20 THR HA 1 1 2 558 1 1 20 THR HB H 10.082 -2.189 9.876 1.00 . A A . 20 THR HB 1 1 2 559 1 1 20 THR HG1 H 8.450 0.034 9.391 1.00 . A A . 20 THR HG1 1 1 2 560 1 1 20 THR HG21 H 10.190 -2.001 7.147 1.00 . A A . 20 THR HG21 1 1 2 561 1 1 20 THR HG22 H 11.515 -1.612 8.244 1.00 . A A . 20 THR HG22 1 1 2 562 1 1 20 THR HG23 H 10.461 -0.331 7.645 1.00 . A A . 20 THR HG23 1 1 2 563 1 1 20 THR N N 7.541 -1.482 7.738 1.00 . A A . 20 THR N 1 1 2 564 1 1 20 THR O O 6.390 -1.863 10.119 1.00 . A A . 20 THR O 1 1 2 565 1 1 20 THR OXT O 7.803 -3.427 10.751 1.00 . A A . 20 THR OXT 1 1 2 566 1 1 20 THR OG1 O 9.275 -0.302 9.749 1.00 . A A . 20 THR OG1 1 1 3 567 1 1 1 ILE C C 3.007 -8.383 2.013 1.00 . A A . 1 ILE C 1 1 3 568 1 1 1 ILE CA C 3.685 -9.694 1.628 1.00 . A A . 1 ILE CA 1 1 3 569 1 1 1 ILE CB C 2.716 -10.529 0.757 1.00 . A A . 1 ILE CB 1 1 3 570 1 1 1 ILE CD1 C 1.555 -11.724 2.709 1.00 . A A . 1 ILE CD1 1 1 3 571 1 1 1 ILE CG1 C 1.403 -10.820 1.502 1.00 . A A . 1 ILE CG1 1 1 3 572 1 1 1 ILE CG2 C 3.384 -11.825 0.321 1.00 . A A . 1 ILE CG2 1 1 3 573 1 1 1 ILE H1 H 3.528 -10.189 3.648 1.00 . A A . 1 ILE H1 1 1 3 574 1 1 1 ILE H2 H 5.114 -10.204 3.060 1.00 . A A . 1 ILE H2 1 1 3 575 1 1 1 ILE H3 H 4.056 -11.464 2.669 1.00 . A A . 1 ILE H3 1 1 3 576 1 1 1 ILE HA H 4.561 -9.467 1.036 1.00 . A A . 1 ILE HA 1 1 3 577 1 1 1 ILE HB H 2.494 -9.957 -0.132 1.00 . A A . 1 ILE HB 1 1 3 578 1 1 1 ILE HD11 H 1.028 -12.651 2.533 1.00 . A A . 1 ILE HD11 1 1 3 579 1 1 1 ILE HD12 H 1.142 -11.235 3.579 1.00 . A A . 1 ILE HD12 1 1 3 580 1 1 1 ILE HD13 H 2.602 -11.931 2.875 1.00 . A A . 1 ILE HD13 1 1 3 581 1 1 1 ILE HG12 H 0.979 -9.887 1.843 1.00 . A A . 1 ILE HG12 1 1 3 582 1 1 1 ILE HG13 H 0.711 -11.291 0.820 1.00 . A A . 1 ILE HG13 1 1 3 583 1 1 1 ILE HG21 H 4.367 -11.608 -0.072 1.00 . A A . 1 ILE HG21 1 1 3 584 1 1 1 ILE HG22 H 2.787 -12.297 -0.445 1.00 . A A . 1 ILE HG22 1 1 3 585 1 1 1 ILE HG23 H 3.473 -12.488 1.168 1.00 . A A . 1 ILE HG23 1 1 3 586 1 1 1 ILE N N 4.126 -10.440 2.835 1.00 . A A . 1 ILE N 1 1 3 587 1 1 1 ILE O O 2.212 -8.335 2.951 1.00 . A A . 1 ILE O 1 1 3 588 1 1 2 CYS C C 1.251 -6.017 1.319 1.00 . A A . 2 CYS C 1 1 3 589 1 1 2 CYS CA C 2.762 -6.006 1.555 1.00 . A A . 2 CYS CA 1 1 3 590 1 1 2 CYS CB C 3.445 -4.949 0.688 1.00 . A A . 2 CYS CB 1 1 3 591 1 1 2 CYS H H 3.979 -7.418 0.554 1.00 . A A . 2 CYS H 1 1 3 592 1 1 2 CYS HA H 2.946 -5.776 2.593 1.00 . A A . 2 CYS HA 1 1 3 593 1 1 2 CYS HB2 H 3.166 -5.100 -0.344 1.00 . A A . 2 CYS HB2 1 1 3 594 1 1 2 CYS HB3 H 3.119 -3.969 1.005 1.00 . A A . 2 CYS HB3 1 1 3 595 1 1 2 CYS N N 3.334 -7.318 1.286 1.00 . A A . 2 CYS N 1 1 3 596 1 1 2 CYS O O 0.763 -6.530 0.307 1.00 . A A . 2 CYS O 1 1 3 597 1 1 2 CYS SG S 5.267 -4.989 0.789 1.00 . A A . 2 CYS SG 1 1 3 598 1 1 3 ILE C C -1.413 -4.434 1.124 1.00 . A A . 3 ILE C 1 1 3 599 1 1 3 ILE CA C -0.938 -5.433 2.166 1.00 . A A . 3 ILE CA 1 1 3 600 1 1 3 ILE CB C -1.600 -5.120 3.524 1.00 . A A . 3 ILE CB 1 1 3 601 1 1 3 ILE CD1 C -1.653 -3.438 5.441 1.00 . A A . 3 ILE CD1 1 1 3 602 1 1 3 ILE CG1 C -0.992 -3.859 4.147 1.00 . A A . 3 ILE CG1 1 1 3 603 1 1 3 ILE CG2 C -1.455 -6.308 4.464 1.00 . A A . 3 ILE CG2 1 1 3 604 1 1 3 ILE H H 0.945 -5.073 3.051 1.00 . A A . 3 ILE H 1 1 3 605 1 1 3 ILE HA H -1.261 -6.418 1.864 1.00 . A A . 3 ILE HA 1 1 3 606 1 1 3 ILE HB H -2.652 -4.956 3.351 1.00 . A A . 3 ILE HB 1 1 3 607 1 1 3 ILE HD11 H -0.895 -3.171 6.163 1.00 . A A . 3 ILE HD11 1 1 3 608 1 1 3 ILE HD12 H -2.244 -4.256 5.827 1.00 . A A . 3 ILE HD12 1 1 3 609 1 1 3 ILE HD13 H -2.292 -2.587 5.259 1.00 . A A . 3 ILE HD13 1 1 3 610 1 1 3 ILE HG12 H 0.054 -4.036 4.352 1.00 . A A . 3 ILE HG12 1 1 3 611 1 1 3 ILE HG13 H -1.082 -3.042 3.446 1.00 . A A . 3 ILE HG13 1 1 3 612 1 1 3 ILE HG21 H -1.173 -7.183 3.897 1.00 . A A . 3 ILE HG21 1 1 3 613 1 1 3 ILE HG22 H -2.397 -6.491 4.961 1.00 . A A . 3 ILE HG22 1 1 3 614 1 1 3 ILE HG23 H -0.694 -6.095 5.201 1.00 . A A . 3 ILE HG23 1 1 3 615 1 1 3 ILE N N 0.510 -5.463 2.267 1.00 . A A . 3 ILE N 1 1 3 616 1 1 3 ILE O O -1.527 -3.240 1.398 1.00 . A A . 3 ILE O 1 1 3 617 1 1 4 PHE C C -3.248 -3.153 -0.681 1.00 . A A . 4 PHE C 1 1 3 618 1 1 4 PHE CA C -2.178 -4.122 -1.182 1.00 . A A . 4 PHE CA 1 1 3 619 1 1 4 PHE CB C -2.748 -5.023 -2.280 1.00 . A A . 4 PHE CB 1 1 3 620 1 1 4 PHE CD1 C -1.859 -3.625 -4.163 1.00 . A A . 4 PHE CD1 1 1 3 621 1 1 4 PHE CD2 C -4.088 -4.457 -4.322 1.00 . A A . 4 PHE CD2 1 1 3 622 1 1 4 PHE CE1 C -1.995 -3.015 -5.397 1.00 . A A . 4 PHE CE1 1 1 3 623 1 1 4 PHE CE2 C -4.231 -3.848 -5.555 1.00 . A A . 4 PHE CE2 1 1 3 624 1 1 4 PHE CG C -2.903 -4.351 -3.614 1.00 . A A . 4 PHE CG 1 1 3 625 1 1 4 PHE CZ C -3.182 -3.127 -6.092 1.00 . A A . 4 PHE CZ 1 1 3 626 1 1 4 PHE H H -1.574 -5.910 -0.209 1.00 . A A . 4 PHE H 1 1 3 627 1 1 4 PHE HA H -1.345 -3.557 -1.575 1.00 . A A . 4 PHE HA 1 1 3 628 1 1 4 PHE HB2 H -2.092 -5.870 -2.414 1.00 . A A . 4 PHE HB2 1 1 3 629 1 1 4 PHE HB3 H -3.720 -5.377 -1.972 1.00 . A A . 4 PHE HB3 1 1 3 630 1 1 4 PHE HD1 H -0.930 -3.535 -3.618 1.00 . A A . 4 PHE HD1 1 1 3 631 1 1 4 PHE HD2 H -4.907 -5.020 -3.903 1.00 . A A . 4 PHE HD2 1 1 3 632 1 1 4 PHE HE1 H -1.175 -2.450 -5.814 1.00 . A A . 4 PHE HE1 1 1 3 633 1 1 4 PHE HE2 H -5.161 -3.937 -6.097 1.00 . A A . 4 PHE HE2 1 1 3 634 1 1 4 PHE HZ H -3.292 -2.651 -7.055 1.00 . A A . 4 PHE HZ 1 1 3 635 1 1 4 PHE N N -1.694 -4.946 -0.072 1.00 . A A . 4 PHE N 1 1 3 636 1 1 4 PHE O O -4.431 -3.492 -0.620 1.00 . A A . 4 PHE O 1 1 3 637 1 1 5 CYS C C -4.241 -0.005 -0.819 1.00 . A A . 5 CYS C 1 1 3 638 1 1 5 CYS CA C -3.705 -0.945 0.255 1.00 . A A . 5 CYS CA 1 1 3 639 1 1 5 CYS CB C -2.983 -0.148 1.347 1.00 . A A . 5 CYS CB 1 1 3 640 1 1 5 CYS H H -1.852 -1.767 -0.349 1.00 . A A . 5 CYS H 1 1 3 641 1 1 5 CYS HA H -4.541 -1.458 0.705 1.00 . A A . 5 CYS HA 1 1 3 642 1 1 5 CYS HB2 H -3.590 0.701 1.623 1.00 . A A . 5 CYS HB2 1 1 3 643 1 1 5 CYS HB3 H -2.845 -0.782 2.212 1.00 . A A . 5 CYS HB3 1 1 3 644 1 1 5 CYS N N -2.810 -1.961 -0.288 1.00 . A A . 5 CYS N 1 1 3 645 1 1 5 CYS O O -3.476 0.649 -1.527 1.00 . A A . 5 CYS O 1 1 3 646 1 1 5 CYS SG S -1.345 0.481 0.850 1.00 . A A . 5 CYS SG 1 1 3 647 1 1 6 CYS C C -6.466 2.329 -1.269 1.00 . A A . 6 CYS C 1 1 3 648 1 1 6 CYS CA C -6.214 0.955 -1.875 1.00 . A A . 6 CYS CA 1 1 3 649 1 1 6 CYS CB C -7.520 0.344 -2.381 1.00 . A A . 6 CYS CB 1 1 3 650 1 1 6 CYS H H -6.120 -0.456 -0.303 1.00 . A A . 6 CYS H 1 1 3 651 1 1 6 CYS HA H -5.537 1.075 -2.707 1.00 . A A . 6 CYS HA 1 1 3 652 1 1 6 CYS HB2 H -8.106 0.013 -1.535 1.00 . A A . 6 CYS HB2 1 1 3 653 1 1 6 CYS HB3 H -8.073 1.093 -2.926 1.00 . A A . 6 CYS HB3 1 1 3 654 1 1 6 CYS N N -5.565 0.077 -0.911 1.00 . A A . 6 CYS N 1 1 3 655 1 1 6 CYS O O -7.608 2.768 -1.138 1.00 . A A . 6 CYS O 1 1 3 656 1 1 6 CYS SG S -7.287 -1.087 -3.484 1.00 . A A . 6 CYS SG 1 1 3 657 1 1 7 GLY C C -5.821 4.293 1.159 1.00 . A A . 7 GLY C 1 1 3 658 1 1 7 GLY CA C -5.484 4.322 -0.318 1.00 . A A . 7 GLY CA 1 1 3 659 1 1 7 GLY H H -4.502 2.592 -1.041 1.00 . A A . 7 GLY H 1 1 3 660 1 1 7 GLY HA2 H -4.543 4.833 -0.448 1.00 . A A . 7 GLY HA2 1 1 3 661 1 1 7 GLY HA3 H -6.254 4.874 -0.838 1.00 . A A . 7 GLY HA3 1 1 3 662 1 1 7 GLY N N -5.382 3.001 -0.905 1.00 . A A . 7 GLY N 1 1 3 663 1 1 7 GLY O O -6.622 5.098 1.634 1.00 . A A . 7 GLY O 1 1 3 664 1 1 8 CYS C C -4.762 4.391 4.056 1.00 . A A . 8 CYS C 1 1 3 665 1 1 8 CYS CA C -5.436 3.265 3.328 1.00 . A A . 8 CYS CA 1 1 3 666 1 1 8 CYS CB C -4.840 1.963 3.897 1.00 . A A . 8 CYS CB 1 1 3 667 1 1 8 CYS H H -4.564 2.765 1.462 1.00 . A A . 8 CYS H 1 1 3 668 1 1 8 CYS HA H -6.497 3.289 3.513 1.00 . A A . 8 CYS HA 1 1 3 669 1 1 8 CYS HB2 H -5.251 1.793 4.881 1.00 . A A . 8 CYS HB2 1 1 3 670 1 1 8 CYS HB3 H -5.116 1.141 3.254 1.00 . A A . 8 CYS HB3 1 1 3 671 1 1 8 CYS N N -5.200 3.375 1.892 1.00 . A A . 8 CYS N 1 1 3 672 1 1 8 CYS O O -5.330 5.034 4.940 1.00 . A A . 8 CYS O 1 1 3 673 1 1 8 CYS SG S -2.999 1.954 4.057 1.00 . A A . 8 CYS SG 1 1 3 674 1 1 9 CYS C C -1.873 6.339 3.416 1.00 . A A . 9 CYS C 1 1 3 675 1 1 9 CYS CA C -2.637 5.452 4.401 1.00 . A A . 9 CYS CA 1 1 3 676 1 1 9 CYS CB C -1.710 4.578 5.232 1.00 . A A . 9 CYS CB 1 1 3 677 1 1 9 CYS H H -3.109 3.912 3.080 1.00 . A A . 9 CYS H 1 1 3 678 1 1 9 CYS HA H -3.229 6.067 5.059 1.00 . A A . 9 CYS HA 1 1 3 679 1 1 9 CYS HB2 H -0.845 4.310 4.643 1.00 . A A . 9 CYS HB2 1 1 3 680 1 1 9 CYS HB3 H -1.397 5.120 6.111 1.00 . A A . 9 CYS HB3 1 1 3 681 1 1 9 CYS N N -3.496 4.524 3.739 1.00 . A A . 9 CYS N 1 1 3 682 1 1 9 CYS O O -1.925 7.565 3.501 1.00 . A A . 9 CYS O 1 1 3 683 1 1 9 CYS SG S -2.532 3.022 5.787 1.00 . A A . 9 CYS SG 1 1 3 684 1 1 10 HIS C C -1.275 6.930 0.346 1.00 . A A . 10 HIS C 1 1 3 685 1 1 10 HIS CA C -0.384 6.428 1.485 1.00 . A A . 10 HIS CA 1 1 3 686 1 1 10 HIS CB C 0.730 5.532 0.935 1.00 . A A . 10 HIS CB 1 1 3 687 1 1 10 HIS CD2 C 1.807 5.362 3.295 1.00 . A A . 10 HIS CD2 1 1 3 688 1 1 10 HIS CE1 C 3.499 4.066 2.779 1.00 . A A . 10 HIS CE1 1 1 3 689 1 1 10 HIS CG C 1.725 5.095 1.968 1.00 . A A . 10 HIS CG 1 1 3 690 1 1 10 HIS H H -1.162 4.724 2.475 1.00 . A A . 10 HIS H 1 1 3 691 1 1 10 HIS HA H 0.064 7.280 1.972 1.00 . A A . 10 HIS HA 1 1 3 692 1 1 10 HIS HB2 H 0.289 4.644 0.507 1.00 . A A . 10 HIS HB2 1 1 3 693 1 1 10 HIS HB3 H 1.264 6.068 0.164 1.00 . A A . 10 HIS HB3 1 1 3 694 1 1 10 HIS HD1 H 3.021 3.918 0.795 1.00 . A A . 10 HIS HD1 1 1 3 695 1 1 10 HIS HD2 H 1.125 5.974 3.869 1.00 . A A . 10 HIS HD2 1 1 3 696 1 1 10 HIS HE1 H 4.393 3.466 2.852 1.00 . A A . 10 HIS HE1 1 1 3 697 1 1 10 HIS HE2 H 3.275 4.789 4.682 1.00 . A A . 10 HIS HE2 1 1 3 698 1 1 10 HIS N N -1.164 5.704 2.486 1.00 . A A . 10 HIS N 1 1 3 699 1 1 10 HIS ND1 N 2.801 4.282 1.677 1.00 . A A . 10 HIS ND1 1 1 3 700 1 1 10 HIS NE2 N 2.918 4.711 3.773 1.00 . A A . 10 HIS NE2 1 1 3 701 1 1 10 HIS O O -2.367 7.445 0.583 1.00 . A A . 10 HIS O 1 1 3 702 1 1 11 ARG C C -2.919 6.556 -2.114 1.00 . A A . 11 ARG C 1 1 3 703 1 1 11 ARG CA C -1.545 7.219 -2.066 1.00 . A A . 11 ARG CA 1 1 3 704 1 1 11 ARG CB C -0.761 6.898 -3.340 1.00 . A A . 11 ARG CB 1 1 3 705 1 1 11 ARG CD C -1.402 9.002 -4.561 1.00 . A A . 11 ARG CD 1 1 3 706 1 1 11 ARG CG C -1.378 7.482 -4.601 1.00 . A A . 11 ARG CG 1 1 3 707 1 1 11 ARG CZ C -1.537 9.421 -6.985 1.00 . A A . 11 ARG CZ 1 1 3 708 1 1 11 ARG H H 0.080 6.366 -1.018 1.00 . A A . 11 ARG H 1 1 3 709 1 1 11 ARG HA H -1.677 8.288 -1.995 1.00 . A A . 11 ARG HA 1 1 3 710 1 1 11 ARG HB2 H 0.241 7.290 -3.241 1.00 . A A . 11 ARG HB2 1 1 3 711 1 1 11 ARG HB3 H -0.708 5.825 -3.455 1.00 . A A . 11 ARG HB3 1 1 3 712 1 1 11 ARG HD2 H -1.962 9.317 -3.692 1.00 . A A . 11 ARG HD2 1 1 3 713 1 1 11 ARG HD3 H -0.387 9.363 -4.483 1.00 . A A . 11 ARG HD3 1 1 3 714 1 1 11 ARG HE H -2.840 10.096 -5.634 1.00 . A A . 11 ARG HE 1 1 3 715 1 1 11 ARG HG2 H -0.797 7.164 -5.455 1.00 . A A . 11 ARG HG2 1 1 3 716 1 1 11 ARG HG3 H -2.389 7.117 -4.696 1.00 . A A . 11 ARG HG3 1 1 3 717 1 1 11 ARG HH11 H 0.057 8.318 -6.410 1.00 . A A . 11 ARG HH11 1 1 3 718 1 1 11 ARG HH12 H -0.064 8.616 -8.111 1.00 . A A . 11 ARG HH12 1 1 3 719 1 1 11 ARG HH21 H -3.005 10.489 -7.873 1.00 . A A . 11 ARG HH21 1 1 3 720 1 1 11 ARG HH22 H -1.802 9.848 -8.942 1.00 . A A . 11 ARG HH22 1 1 3 721 1 1 11 ARG N N -0.798 6.780 -0.891 1.00 . A A . 11 ARG N 1 1 3 722 1 1 11 ARG NE N -2.020 9.574 -5.755 1.00 . A A . 11 ARG NE 1 1 3 723 1 1 11 ARG NH1 N -0.423 8.728 -7.185 1.00 . A A . 11 ARG NH1 1 1 3 724 1 1 11 ARG NH2 N -2.166 9.963 -8.018 1.00 . A A . 11 ARG NH2 1 1 3 725 1 1 11 ARG O O -3.080 5.414 -1.686 1.00 . A A . 11 ARG O 1 1 3 726 1 1 12 SER C C -5.325 5.530 -3.609 1.00 . A A . 12 SER C 1 1 3 727 1 1 12 SER CA C -5.270 6.774 -2.733 1.00 . A A . 12 SER CA 1 1 3 728 1 1 12 SER CB C -6.196 7.853 -3.299 1.00 . A A . 12 SER CB 1 1 3 729 1 1 12 SER H H -3.712 8.185 -2.959 1.00 . A A . 12 SER H 1 1 3 730 1 1 12 SER HA H -5.600 6.514 -1.739 1.00 . A A . 12 SER HA 1 1 3 731 1 1 12 SER HB2 H -5.862 8.128 -4.288 1.00 . A A . 12 SER HB2 1 1 3 732 1 1 12 SER HB3 H -7.204 7.467 -3.354 1.00 . A A . 12 SER HB3 1 1 3 733 1 1 12 SER HG H -5.296 9.201 -2.198 1.00 . A A . 12 SER HG 1 1 3 734 1 1 12 SER N N -3.906 7.283 -2.633 1.00 . A A . 12 SER N 1 1 3 735 1 1 12 SER O O -6.004 4.555 -3.285 1.00 . A A . 12 SER O 1 1 3 736 1 1 12 SER OG O -6.194 9.008 -2.478 1.00 . A A . 12 SER OG 1 1 3 737 1 1 13 LYS C C -4.042 3.191 -4.965 1.00 . A A . 13 LYS C 1 1 3 738 1 1 13 LYS CA C -4.560 4.451 -5.651 1.00 . A A . 13 LYS CA 1 1 3 739 1 1 13 LYS CB C -3.680 4.790 -6.856 1.00 . A A . 13 LYS CB 1 1 3 740 1 1 13 LYS CD C -3.323 6.211 -8.896 1.00 . A A . 13 LYS CD 1 1 3 741 1 1 13 LYS CE C -3.910 7.286 -9.796 1.00 . A A . 13 LYS CE 1 1 3 742 1 1 13 LYS CG C -4.220 5.931 -7.703 1.00 . A A . 13 LYS CG 1 1 3 743 1 1 13 LYS H H -4.085 6.382 -4.915 1.00 . A A . 13 LYS H 1 1 3 744 1 1 13 LYS HA H -5.567 4.269 -5.995 1.00 . A A . 13 LYS HA 1 1 3 745 1 1 13 LYS HB2 H -2.698 5.067 -6.502 1.00 . A A . 13 LYS HB2 1 1 3 746 1 1 13 LYS HB3 H -3.595 3.915 -7.482 1.00 . A A . 13 LYS HB3 1 1 3 747 1 1 13 LYS HD2 H -2.358 6.541 -8.540 1.00 . A A . 13 LYS HD2 1 1 3 748 1 1 13 LYS HD3 H -3.206 5.301 -9.467 1.00 . A A . 13 LYS HD3 1 1 3 749 1 1 13 LYS HE2 H -4.040 8.190 -9.219 1.00 . A A . 13 LYS HE2 1 1 3 750 1 1 13 LYS HE3 H -3.223 7.474 -10.608 1.00 . A A . 13 LYS HE3 1 1 3 751 1 1 13 LYS HG2 H -5.204 5.667 -8.059 1.00 . A A . 13 LYS HG2 1 1 3 752 1 1 13 LYS HG3 H -4.283 6.822 -7.093 1.00 . A A . 13 LYS HG3 1 1 3 753 1 1 13 LYS HZ1 H -5.332 5.846 -10.314 1.00 . A A . 13 LYS HZ1 1 1 3 754 1 1 13 LYS HZ2 H -5.299 7.180 -11.352 1.00 . A A . 13 LYS HZ2 1 1 3 755 1 1 13 LYS HZ3 H -5.999 7.321 -9.819 1.00 . A A . 13 LYS HZ3 1 1 3 756 1 1 13 LYS N N -4.603 5.573 -4.719 1.00 . A A . 13 LYS N 1 1 3 757 1 1 13 LYS NZ N -5.228 6.880 -10.360 1.00 . A A . 13 LYS NZ 1 1 3 758 1 1 13 LYS O O -3.121 3.252 -4.149 1.00 . A A . 13 LYS O 1 1 3 759 1 1 14 CYS C C -2.748 0.544 -4.854 1.00 . A A . 14 CYS C 1 1 3 760 1 1 14 CYS CA C -4.250 0.771 -4.714 1.00 . A A . 14 CYS CA 1 1 3 761 1 1 14 CYS CB C -5.014 -0.376 -5.382 1.00 . A A . 14 CYS CB 1 1 3 762 1 1 14 CYS H H -5.373 2.071 -5.953 1.00 . A A . 14 CYS H 1 1 3 763 1 1 14 CYS HA H -4.500 0.795 -3.665 1.00 . A A . 14 CYS HA 1 1 3 764 1 1 14 CYS HB2 H -4.751 -0.410 -6.429 1.00 . A A . 14 CYS HB2 1 1 3 765 1 1 14 CYS HB3 H -4.726 -1.308 -4.916 1.00 . A A . 14 CYS HB3 1 1 3 766 1 1 14 CYS N N -4.643 2.051 -5.298 1.00 . A A . 14 CYS N 1 1 3 767 1 1 14 CYS O O -2.152 0.884 -5.877 1.00 . A A . 14 CYS O 1 1 3 768 1 1 14 CYS SG S -6.829 -0.239 -5.274 1.00 . A A . 14 CYS SG 1 1 3 769 1 1 15 GLY C C -0.274 -1.073 -2.630 1.00 . A A . 15 GLY C 1 1 3 770 1 1 15 GLY CA C -0.715 -0.290 -3.844 1.00 . A A . 15 GLY CA 1 1 3 771 1 1 15 GLY H H -2.665 -0.280 -3.025 1.00 . A A . 15 GLY H 1 1 3 772 1 1 15 GLY HA2 H -0.475 -0.853 -4.733 1.00 . A A . 15 GLY HA2 1 1 3 773 1 1 15 GLY HA3 H -0.185 0.650 -3.866 1.00 . A A . 15 GLY HA3 1 1 3 774 1 1 15 GLY N N -2.140 -0.029 -3.819 1.00 . A A . 15 GLY N 1 1 3 775 1 1 15 GLY O O -0.682 -0.766 -1.515 1.00 . A A . 15 GLY O 1 1 3 776 1 1 16 MET C C 1.608 -2.065 -0.625 1.00 . A A . 16 MET C 1 1 3 777 1 1 16 MET CA C 1.022 -2.924 -1.746 1.00 . A A . 16 MET CA 1 1 3 778 1 1 16 MET CB C 2.060 -3.921 -2.265 1.00 . A A . 16 MET CB 1 1 3 779 1 1 16 MET CE C 4.706 -5.604 -2.507 1.00 . A A . 16 MET CE 1 1 3 780 1 1 16 MET CG C 3.263 -3.267 -2.928 1.00 . A A . 16 MET CG 1 1 3 781 1 1 16 MET H H 0.830 -2.296 -3.758 1.00 . A A . 16 MET H 1 1 3 782 1 1 16 MET HA H 0.173 -3.468 -1.358 1.00 . A A . 16 MET HA 1 1 3 783 1 1 16 MET HB2 H 2.413 -4.517 -1.438 1.00 . A A . 16 MET HB2 1 1 3 784 1 1 16 MET HB3 H 1.587 -4.570 -2.988 1.00 . A A . 16 MET HB3 1 1 3 785 1 1 16 MET HE1 H 5.370 -6.364 -2.892 1.00 . A A . 16 MET HE1 1 1 3 786 1 1 16 MET HE2 H 3.801 -6.068 -2.143 1.00 . A A . 16 MET HE2 1 1 3 787 1 1 16 MET HE3 H 5.191 -5.077 -1.699 1.00 . A A . 16 MET HE3 1 1 3 788 1 1 16 MET HG2 H 2.911 -2.525 -3.630 1.00 . A A . 16 MET HG2 1 1 3 789 1 1 16 MET HG3 H 3.859 -2.786 -2.166 1.00 . A A . 16 MET HG3 1 1 3 790 1 1 16 MET N N 0.546 -2.092 -2.843 1.00 . A A . 16 MET N 1 1 3 791 1 1 16 MET O O 2.505 -1.254 -0.856 1.00 . A A . 16 MET O 1 1 3 792 1 1 16 MET SD S 4.301 -4.448 -3.813 1.00 . A A . 16 MET SD 1 1 3 793 1 1 17 CYS C C 2.674 -2.259 2.464 1.00 . A A . 17 CYS C 1 1 3 794 1 1 17 CYS CA C 1.575 -1.492 1.744 1.00 . A A . 17 CYS CA 1 1 3 795 1 1 17 CYS CB C 0.424 -1.189 2.710 1.00 . A A . 17 CYS CB 1 1 3 796 1 1 17 CYS H H 0.385 -2.915 0.723 1.00 . A A . 17 CYS H 1 1 3 797 1 1 17 CYS HA H 1.982 -0.560 1.380 1.00 . A A . 17 CYS HA 1 1 3 798 1 1 17 CYS HB2 H -0.380 -1.885 2.525 1.00 . A A . 17 CYS HB2 1 1 3 799 1 1 17 CYS HB3 H 0.775 -1.318 3.723 1.00 . A A . 17 CYS HB3 1 1 3 800 1 1 17 CYS N N 1.095 -2.250 0.593 1.00 . A A . 17 CYS N 1 1 3 801 1 1 17 CYS O O 2.423 -3.300 3.071 1.00 . A A . 17 CYS O 1 1 3 802 1 1 17 CYS SG S -0.267 0.496 2.573 1.00 . A A . 17 CYS SG 1 1 3 803 1 1 18 CYS C C 5.413 -1.672 4.317 1.00 . A A . 18 CYS C 1 1 3 804 1 1 18 CYS CA C 5.035 -2.385 3.024 1.00 . A A . 18 CYS CA 1 1 3 805 1 1 18 CYS CB C 6.226 -2.402 2.068 1.00 . A A . 18 CYS CB 1 1 3 806 1 1 18 CYS H H 4.032 -0.913 1.884 1.00 . A A . 18 CYS H 1 1 3 807 1 1 18 CYS HA H 4.756 -3.402 3.256 1.00 . A A . 18 CYS HA 1 1 3 808 1 1 18 CYS HB2 H 6.588 -1.394 1.935 1.00 . A A . 18 CYS HB2 1 1 3 809 1 1 18 CYS HB3 H 7.014 -3.008 2.498 1.00 . A A . 18 CYS HB3 1 1 3 810 1 1 18 CYS N N 3.894 -1.743 2.387 1.00 . A A . 18 CYS N 1 1 3 811 1 1 18 CYS O O 5.394 -0.442 4.387 1.00 . A A . 18 CYS O 1 1 3 812 1 1 18 CYS SG S 5.842 -3.078 0.419 1.00 . A A . 18 CYS SG 1 1 3 813 1 1 19 LYS C C 7.231 -0.842 6.481 1.00 . A A . 19 LYS C 1 1 3 814 1 1 19 LYS CA C 6.145 -1.906 6.631 1.00 . A A . 19 LYS CA 1 1 3 815 1 1 19 LYS CB C 6.605 -3.030 7.574 1.00 . A A . 19 LYS CB 1 1 3 816 1 1 19 LYS CD C 8.925 -3.469 6.666 1.00 . A A . 19 LYS CD 1 1 3 817 1 1 19 LYS CE C 9.790 -4.440 5.880 1.00 . A A . 19 LYS CE 1 1 3 818 1 1 19 LYS CG C 7.548 -4.049 6.939 1.00 . A A . 19 LYS CG 1 1 3 819 1 1 19 LYS H H 5.749 -3.424 5.209 1.00 . A A . 19 LYS H 1 1 3 820 1 1 19 LYS HA H 5.269 -1.438 7.056 1.00 . A A . 19 LYS HA 1 1 3 821 1 1 19 LYS HB2 H 7.112 -2.586 8.416 1.00 . A A . 19 LYS HB2 1 1 3 822 1 1 19 LYS HB3 H 5.732 -3.557 7.932 1.00 . A A . 19 LYS HB3 1 1 3 823 1 1 19 LYS HD2 H 8.818 -2.561 6.097 1.00 . A A . 19 LYS HD2 1 1 3 824 1 1 19 LYS HD3 H 9.408 -3.253 7.608 1.00 . A A . 19 LYS HD3 1 1 3 825 1 1 19 LYS HE2 H 9.872 -5.362 6.435 1.00 . A A . 19 LYS HE2 1 1 3 826 1 1 19 LYS HE3 H 9.316 -4.632 4.928 1.00 . A A . 19 LYS HE3 1 1 3 827 1 1 19 LYS HG2 H 7.655 -4.887 7.611 1.00 . A A . 19 LYS HG2 1 1 3 828 1 1 19 LYS HG3 H 7.121 -4.390 6.008 1.00 . A A . 19 LYS HG3 1 1 3 829 1 1 19 LYS HZ1 H 11.857 -4.443 6.180 1.00 . A A . 19 LYS HZ1 1 1 3 830 1 1 19 LYS HZ2 H 11.203 -2.902 5.935 1.00 . A A . 19 LYS HZ2 1 1 3 831 1 1 19 LYS HZ3 H 11.391 -3.958 4.627 1.00 . A A . 19 LYS HZ3 1 1 3 832 1 1 19 LYS N N 5.757 -2.454 5.334 1.00 . A A . 19 LYS N 1 1 3 833 1 1 19 LYS NZ N 11.156 -3.898 5.638 1.00 . A A . 19 LYS NZ 1 1 3 834 1 1 19 LYS O O 8.070 -0.915 5.582 1.00 . A A . 19 LYS O 1 1 3 835 1 1 20 THR C C 9.581 0.724 7.607 1.00 . A A . 20 THR C 1 1 3 836 1 1 20 THR CA C 8.174 1.239 7.323 1.00 . A A . 20 THR CA 1 1 3 837 1 1 20 THR CB C 7.825 2.343 8.339 1.00 . A A . 20 THR CB 1 1 3 838 1 1 20 THR CG2 C 7.720 1.771 9.746 1.00 . A A . 20 THR CG2 1 1 3 839 1 1 20 THR H H 6.500 0.165 8.046 1.00 . A A . 20 THR H 1 1 3 840 1 1 20 THR HA H 8.154 1.672 6.333 1.00 . A A . 20 THR HA 1 1 3 841 1 1 20 THR HB H 6.870 2.771 8.070 1.00 . A A . 20 THR HB 1 1 3 842 1 1 20 THR HG1 H 8.774 3.841 7.475 1.00 . A A . 20 THR HG1 1 1 3 843 1 1 20 THR HG21 H 8.709 1.547 10.117 1.00 . A A . 20 THR HG21 1 1 3 844 1 1 20 THR HG22 H 7.130 0.867 9.723 1.00 . A A . 20 THR HG22 1 1 3 845 1 1 20 THR HG23 H 7.247 2.494 10.393 1.00 . A A . 20 THR HG23 1 1 3 846 1 1 20 THR N N 7.200 0.155 7.360 1.00 . A A . 20 THR N 1 1 3 847 1 1 20 THR O O 9.715 -0.206 8.431 1.00 . A A . 20 THR O 1 1 3 848 1 1 20 THR OXT O 10.538 1.250 7.001 1.00 . A A . 20 THR OXT 1 1 3 849 1 1 20 THR OG1 O 8.822 3.371 8.310 1.00 . A A . 20 THR OG1 1 1 4 850 1 1 1 ILE C C 3.529 -7.451 2.806 1.00 . A A . 1 ILE C 1 1 4 851 1 1 1 ILE CA C 4.008 -8.899 2.831 1.00 . A A . 1 ILE CA 1 1 4 852 1 1 1 ILE CB C 2.780 -9.837 2.927 1.00 . A A . 1 ILE CB 1 1 4 853 1 1 1 ILE CD1 C 2.718 -9.946 5.491 1.00 . A A . 1 ILE CD1 1 1 4 854 1 1 1 ILE CG1 C 1.981 -9.585 4.216 1.00 . A A . 1 ILE CG1 1 1 4 855 1 1 1 ILE CG2 C 3.220 -11.292 2.845 1.00 . A A . 1 ILE CG2 1 1 4 856 1 1 1 ILE H1 H 4.706 -8.550 4.765 1.00 . A A . 1 ILE H1 1 1 4 857 1 1 1 ILE H2 H 5.929 -8.872 3.641 1.00 . A A . 1 ILE H2 1 1 4 858 1 1 1 ILE H3 H 4.960 -10.132 4.218 1.00 . A A . 1 ILE H3 1 1 4 859 1 1 1 ILE HA H 4.517 -9.108 1.900 1.00 . A A . 1 ILE HA 1 1 4 860 1 1 1 ILE HB H 2.144 -9.638 2.078 1.00 . A A . 1 ILE HB 1 1 4 861 1 1 1 ILE HD11 H 3.524 -10.626 5.260 1.00 . A A . 1 ILE HD11 1 1 4 862 1 1 1 ILE HD12 H 2.034 -10.418 6.180 1.00 . A A . 1 ILE HD12 1 1 4 863 1 1 1 ILE HD13 H 3.120 -9.049 5.939 1.00 . A A . 1 ILE HD13 1 1 4 864 1 1 1 ILE HG12 H 1.726 -8.538 4.272 1.00 . A A . 1 ILE HG12 1 1 4 865 1 1 1 ILE HG13 H 1.071 -10.167 4.183 1.00 . A A . 1 ILE HG13 1 1 4 866 1 1 1 ILE HG21 H 3.450 -11.541 1.818 1.00 . A A . 1 ILE HG21 1 1 4 867 1 1 1 ILE HG22 H 2.425 -11.930 3.201 1.00 . A A . 1 ILE HG22 1 1 4 868 1 1 1 ILE HG23 H 4.100 -11.437 3.455 1.00 . A A . 1 ILE HG23 1 1 4 869 1 1 1 ILE N N 4.967 -9.129 3.941 1.00 . A A . 1 ILE N 1 1 4 870 1 1 1 ILE O O 3.147 -6.892 3.835 1.00 . A A . 1 ILE O 1 1 4 871 1 1 2 CYS C C 1.614 -5.351 1.601 1.00 . A A . 2 CYS C 1 1 4 872 1 1 2 CYS CA C 3.131 -5.465 1.456 1.00 . A A . 2 CYS CA 1 1 4 873 1 1 2 CYS CB C 3.585 -4.942 0.094 1.00 . A A . 2 CYS CB 1 1 4 874 1 1 2 CYS H H 3.876 -7.343 0.841 1.00 . A A . 2 CYS H 1 1 4 875 1 1 2 CYS HA H 3.600 -4.880 2.230 1.00 . A A . 2 CYS HA 1 1 4 876 1 1 2 CYS HB2 H 3.007 -5.423 -0.681 1.00 . A A . 2 CYS HB2 1 1 4 877 1 1 2 CYS HB3 H 3.419 -3.875 0.053 1.00 . A A . 2 CYS HB3 1 1 4 878 1 1 2 CYS N N 3.558 -6.847 1.622 1.00 . A A . 2 CYS N 1 1 4 879 1 1 2 CYS O O 0.857 -6.113 0.993 1.00 . A A . 2 CYS O 1 1 4 880 1 1 2 CYS SG S 5.349 -5.245 -0.259 1.00 . A A . 2 CYS SG 1 1 4 881 1 1 3 ILE C C -0.905 -3.461 1.483 1.00 . A A . 3 ILE C 1 1 4 882 1 1 3 ILE CA C -0.258 -4.218 2.632 1.00 . A A . 3 ILE CA 1 1 4 883 1 1 3 ILE CB C -0.553 -3.503 3.964 1.00 . A A . 3 ILE CB 1 1 4 884 1 1 3 ILE CD1 C -0.025 -1.423 5.342 1.00 . A A . 3 ILE CD1 1 1 4 885 1 1 3 ILE CG1 C 0.268 -2.216 4.086 1.00 . A A . 3 ILE CG1 1 1 4 886 1 1 3 ILE CG2 C -0.270 -4.435 5.134 1.00 . A A . 3 ILE CG2 1 1 4 887 1 1 3 ILE H H 1.804 -3.817 2.871 1.00 . A A . 3 ILE H 1 1 4 888 1 1 3 ILE HA H -0.703 -5.202 2.681 1.00 . A A . 3 ILE HA 1 1 4 889 1 1 3 ILE HB H -1.602 -3.256 3.979 1.00 . A A . 3 ILE HB 1 1 4 890 1 1 3 ILE HD11 H -0.948 -1.774 5.782 1.00 . A A . 3 ILE HD11 1 1 4 891 1 1 3 ILE HD12 H -0.120 -0.378 5.094 1.00 . A A . 3 ILE HD12 1 1 4 892 1 1 3 ILE HD13 H 0.782 -1.555 6.048 1.00 . A A . 3 ILE HD13 1 1 4 893 1 1 3 ILE HG12 H 1.318 -2.467 4.091 1.00 . A A . 3 ILE HG12 1 1 4 894 1 1 3 ILE HG13 H 0.059 -1.582 3.236 1.00 . A A . 3 ILE HG13 1 1 4 895 1 1 3 ILE HG21 H 0.382 -5.233 4.810 1.00 . A A . 3 ILE HG21 1 1 4 896 1 1 3 ILE HG22 H -1.198 -4.853 5.494 1.00 . A A . 3 ILE HG22 1 1 4 897 1 1 3 ILE HG23 H 0.208 -3.881 5.928 1.00 . A A . 3 ILE HG23 1 1 4 898 1 1 3 ILE N N 1.167 -4.402 2.413 1.00 . A A . 3 ILE N 1 1 4 899 1 1 3 ILE O O -0.916 -2.232 1.458 1.00 . A A . 3 ILE O 1 1 4 900 1 1 4 PHE C C -3.016 -2.489 -0.230 1.00 . A A . 4 PHE C 1 1 4 901 1 1 4 PHE CA C -2.099 -3.640 -0.639 1.00 . A A . 4 PHE CA 1 1 4 902 1 1 4 PHE CB C -2.903 -4.716 -1.373 1.00 . A A . 4 PHE CB 1 1 4 903 1 1 4 PHE CD1 C -2.753 -3.554 -3.592 1.00 . A A . 4 PHE CD1 1 1 4 904 1 1 4 PHE CD2 C -4.848 -4.491 -2.943 1.00 . A A . 4 PHE CD2 1 1 4 905 1 1 4 PHE CE1 C -3.311 -3.121 -4.781 1.00 . A A . 4 PHE CE1 1 1 4 906 1 1 4 PHE CE2 C -5.412 -4.060 -4.129 1.00 . A A . 4 PHE CE2 1 1 4 907 1 1 4 PHE CG C -3.514 -4.243 -2.662 1.00 . A A . 4 PHE CG 1 1 4 908 1 1 4 PHE CZ C -4.643 -3.374 -5.048 1.00 . A A . 4 PHE CZ 1 1 4 909 1 1 4 PHE H H -1.385 -5.193 0.623 1.00 . A A . 4 PHE H 1 1 4 910 1 1 4 PHE HA H -1.334 -3.260 -1.298 1.00 . A A . 4 PHE HA 1 1 4 911 1 1 4 PHE HB2 H -2.254 -5.548 -1.600 1.00 . A A . 4 PHE HB2 1 1 4 912 1 1 4 PHE HB3 H -3.702 -5.057 -0.731 1.00 . A A . 4 PHE HB3 1 1 4 913 1 1 4 PHE HD1 H -1.710 -3.356 -3.381 1.00 . A A . 4 PHE HD1 1 1 4 914 1 1 4 PHE HD2 H -5.450 -5.027 -2.225 1.00 . A A . 4 PHE HD2 1 1 4 915 1 1 4 PHE HE1 H -2.707 -2.585 -5.497 1.00 . A A . 4 PHE HE1 1 1 4 916 1 1 4 PHE HE2 H -6.453 -4.259 -4.336 1.00 . A A . 4 PHE HE2 1 1 4 917 1 1 4 PHE HZ H -5.081 -3.036 -5.976 1.00 . A A . 4 PHE HZ 1 1 4 918 1 1 4 PHE N N -1.441 -4.218 0.533 1.00 . A A . 4 PHE N 1 1 4 919 1 1 4 PHE O O -4.141 -2.706 0.220 1.00 . A A . 4 PHE O 1 1 4 920 1 1 5 CYS C C -4.052 0.460 -1.238 1.00 . A A . 5 CYS C 1 1 4 921 1 1 5 CYS CA C -3.281 -0.073 -0.036 1.00 . A A . 5 CYS CA 1 1 4 922 1 1 5 CYS CB C -2.353 1.000 0.549 1.00 . A A . 5 CYS CB 1 1 4 923 1 1 5 CYS H H -1.618 -1.159 -0.762 1.00 . A A . 5 CYS H 1 1 4 924 1 1 5 CYS HA H -3.994 -0.361 0.723 1.00 . A A . 5 CYS HA 1 1 4 925 1 1 5 CYS HB2 H -2.864 1.951 0.536 1.00 . A A . 5 CYS HB2 1 1 4 926 1 1 5 CYS HB3 H -2.116 0.741 1.570 1.00 . A A . 5 CYS HB3 1 1 4 927 1 1 5 CYS N N -2.520 -1.264 -0.388 1.00 . A A . 5 CYS N 1 1 4 928 1 1 5 CYS O O -3.568 1.332 -1.961 1.00 . A A . 5 CYS O 1 1 4 929 1 1 5 CYS SG S -0.781 1.209 -0.351 1.00 . A A . 5 CYS SG 1 1 4 930 1 1 6 CYS C C -6.835 1.625 -2.250 1.00 . A A . 6 CYS C 1 1 4 931 1 1 6 CYS CA C -6.081 0.343 -2.576 1.00 . A A . 6 CYS CA 1 1 4 932 1 1 6 CYS CB C -7.054 -0.768 -2.975 1.00 . A A . 6 CYS CB 1 1 4 933 1 1 6 CYS H H -5.579 -0.774 -0.849 1.00 . A A . 6 CYS H 1 1 4 934 1 1 6 CYS HA H -5.422 0.544 -3.405 1.00 . A A . 6 CYS HA 1 1 4 935 1 1 6 CYS HB2 H -6.523 -1.707 -3.007 1.00 . A A . 6 CYS HB2 1 1 4 936 1 1 6 CYS HB3 H -7.839 -0.830 -2.234 1.00 . A A . 6 CYS HB3 1 1 4 937 1 1 6 CYS N N -5.251 -0.077 -1.454 1.00 . A A . 6 CYS N 1 1 4 938 1 1 6 CYS O O -8.065 1.669 -2.292 1.00 . A A . 6 CYS O 1 1 4 939 1 1 6 CYS SG S -7.844 -0.523 -4.601 1.00 . A A . 6 CYS SG 1 1 4 940 1 1 7 GLY C C -7.682 3.872 -0.489 1.00 . A A . 7 GLY C 1 1 4 941 1 1 7 GLY CA C -6.662 3.952 -1.607 1.00 . A A . 7 GLY CA 1 1 4 942 1 1 7 GLY H H -5.105 2.555 -1.929 1.00 . A A . 7 GLY H 1 1 4 943 1 1 7 GLY HA2 H -5.874 4.625 -1.308 1.00 . A A . 7 GLY HA2 1 1 4 944 1 1 7 GLY HA3 H -7.144 4.348 -2.489 1.00 . A A . 7 GLY HA3 1 1 4 945 1 1 7 GLY N N -6.077 2.664 -1.933 1.00 . A A . 7 GLY N 1 1 4 946 1 1 7 GLY O O -8.696 4.570 -0.517 1.00 . A A . 7 GLY O 1 1 4 947 1 1 8 CYS C C -8.165 4.012 2.599 1.00 . A A . 8 CYS C 1 1 4 948 1 1 8 CYS CA C -8.324 2.874 1.631 1.00 . A A . 8 CYS CA 1 1 4 949 1 1 8 CYS CB C -8.028 1.584 2.420 1.00 . A A . 8 CYS CB 1 1 4 950 1 1 8 CYS H H -6.590 2.498 0.474 1.00 . A A . 8 CYS H 1 1 4 951 1 1 8 CYS HA H -9.336 2.847 1.262 1.00 . A A . 8 CYS HA 1 1 4 952 1 1 8 CYS HB2 H -8.873 1.362 3.055 1.00 . A A . 8 CYS HB2 1 1 4 953 1 1 8 CYS HB3 H -7.891 0.772 1.721 1.00 . A A . 8 CYS HB3 1 1 4 954 1 1 8 CYS N N -7.415 3.027 0.501 1.00 . A A . 8 CYS N 1 1 4 955 1 1 8 CYS O O -9.130 4.622 3.057 1.00 . A A . 8 CYS O 1 1 4 956 1 1 8 CYS SG S -6.528 1.652 3.498 1.00 . A A . 8 CYS SG 1 1 4 957 1 1 9 CYS C C -5.434 6.064 3.533 1.00 . A A . 9 CYS C 1 1 4 958 1 1 9 CYS CA C -6.565 5.142 3.987 1.00 . A A . 9 CYS CA 1 1 4 959 1 1 9 CYS CB C -6.167 4.290 5.181 1.00 . A A . 9 CYS CB 1 1 4 960 1 1 9 CYS H H -6.229 3.608 2.619 1.00 . A A . 9 CYS H 1 1 4 961 1 1 9 CYS HA H -7.434 5.727 4.242 1.00 . A A . 9 CYS HA 1 1 4 962 1 1 9 CYS HB2 H -5.109 4.078 5.134 1.00 . A A . 9 CYS HB2 1 1 4 963 1 1 9 CYS HB3 H -6.390 4.822 6.093 1.00 . A A . 9 CYS HB3 1 1 4 964 1 1 9 CYS N N -6.924 4.195 2.981 1.00 . A A . 9 CYS N 1 1 4 965 1 1 9 CYS O O -5.563 7.288 3.571 1.00 . A A . 9 CYS O 1 1 4 966 1 1 9 CYS SG S -7.073 2.683 5.227 1.00 . A A . 9 CYS SG 1 1 4 967 1 1 10 HIS C C -3.383 6.790 1.256 1.00 . A A . 10 HIS C 1 1 4 968 1 1 10 HIS CA C -3.160 6.217 2.658 1.00 . A A . 10 HIS CA 1 1 4 969 1 1 10 HIS CB C -1.915 5.322 2.679 1.00 . A A . 10 HIS CB 1 1 4 970 1 1 10 HIS CD2 C -2.183 4.944 5.238 1.00 . A A . 10 HIS CD2 1 1 4 971 1 1 10 HIS CE1 C -0.451 3.637 5.549 1.00 . A A . 10 HIS CE1 1 1 4 972 1 1 10 HIS CG C -1.577 4.779 4.036 1.00 . A A . 10 HIS CG 1 1 4 973 1 1 10 HIS H H -4.285 4.483 3.114 1.00 . A A . 10 HIS H 1 1 4 974 1 1 10 HIS HA H -3.011 7.036 3.346 1.00 . A A . 10 HIS HA 1 1 4 975 1 1 10 HIS HB2 H -2.074 4.483 2.018 1.00 . A A . 10 HIS HB2 1 1 4 976 1 1 10 HIS HB3 H -1.067 5.893 2.329 1.00 . A A . 10 HIS HB3 1 1 4 977 1 1 10 HIS HD1 H 0.144 3.648 3.591 1.00 . A A . 10 HIS HD1 1 1 4 978 1 1 10 HIS HD2 H -3.067 5.534 5.434 1.00 . A A . 10 HIS HD2 1 1 4 979 1 1 10 HIS HE1 H 0.289 3.005 6.017 1.00 . A A . 10 HIS HE1 1 1 4 980 1 1 10 HIS HE2 H -1.721 4.076 7.092 1.00 . A A . 10 HIS HE2 1 1 4 981 1 1 10 HIS N N -4.324 5.462 3.113 1.00 . A A . 10 HIS N 1 1 4 982 1 1 10 HIS ND1 N -0.495 3.955 4.266 1.00 . A A . 10 HIS ND1 1 1 4 983 1 1 10 HIS NE2 N -1.462 4.225 6.159 1.00 . A A . 10 HIS NE2 1 1 4 984 1 1 10 HIS O O -4.448 7.334 0.963 1.00 . A A . 10 HIS O 1 1 4 985 1 1 11 ARG C C -3.666 6.606 -1.698 1.00 . A A . 11 ARG C 1 1 4 986 1 1 11 ARG CA C -2.451 7.173 -0.972 1.00 . A A . 11 ARG CA 1 1 4 987 1 1 11 ARG CB C -1.176 6.822 -1.741 1.00 . A A . 11 ARG CB 1 1 4 988 1 1 11 ARG CD C 0.351 5.028 -2.619 1.00 . A A . 11 ARG CD 1 1 4 989 1 1 11 ARG CG C -0.906 5.328 -1.821 1.00 . A A . 11 ARG CG 1 1 4 990 1 1 11 ARG CZ C 1.645 3.071 -3.362 1.00 . A A . 11 ARG CZ 1 1 4 991 1 1 11 ARG H H -1.546 6.228 0.689 1.00 . A A . 11 ARG H 1 1 4 992 1 1 11 ARG HA H -2.545 8.247 -0.922 1.00 . A A . 11 ARG HA 1 1 4 993 1 1 11 ARG HB2 H -1.260 7.204 -2.747 1.00 . A A . 11 ARG HB2 1 1 4 994 1 1 11 ARG HB3 H -0.334 7.293 -1.255 1.00 . A A . 11 ARG HB3 1 1 4 995 1 1 11 ARG HD2 H 0.231 5.427 -3.617 1.00 . A A . 11 ARG HD2 1 1 4 996 1 1 11 ARG HD3 H 1.190 5.508 -2.140 1.00 . A A . 11 ARG HD3 1 1 4 997 1 1 11 ARG HE H -0.017 2.991 -2.262 1.00 . A A . 11 ARG HE 1 1 4 998 1 1 11 ARG HG2 H -0.784 4.940 -0.820 1.00 . A A . 11 ARG HG2 1 1 4 999 1 1 11 ARG HG3 H -1.748 4.844 -2.295 1.00 . A A . 11 ARG HG3 1 1 4 1000 1 1 11 ARG HH11 H 2.393 4.852 -3.958 1.00 . A A . 11 ARG HH11 1 1 4 1001 1 1 11 ARG HH12 H 3.290 3.462 -4.470 1.00 . A A . 11 ARG HH12 1 1 4 1002 1 1 11 ARG HH21 H 1.156 1.158 -2.932 1.00 . A A . 11 ARG HH21 1 1 4 1003 1 1 11 ARG HH22 H 2.588 1.362 -3.886 1.00 . A A . 11 ARG HH22 1 1 4 1004 1 1 11 ARG N N -2.370 6.667 0.396 1.00 . A A . 11 ARG N 1 1 4 1005 1 1 11 ARG NE N 0.611 3.594 -2.710 1.00 . A A . 11 ARG NE 1 1 4 1006 1 1 11 ARG NH1 N 2.514 3.860 -3.980 1.00 . A A . 11 ARG NH1 1 1 4 1007 1 1 11 ARG NH2 N 1.810 1.756 -3.396 1.00 . A A . 11 ARG NH2 1 1 4 1008 1 1 11 ARG O O -4.016 5.439 -1.526 1.00 . A A . 11 ARG O 1 1 4 1009 1 1 12 SER C C -5.134 5.912 -4.240 1.00 . A A . 12 SER C 1 1 4 1010 1 1 12 SER CA C -5.479 7.034 -3.269 1.00 . A A . 12 SER CA 1 1 4 1011 1 1 12 SER CB C -6.059 8.226 -4.033 1.00 . A A . 12 SER CB 1 1 4 1012 1 1 12 SER H H -3.971 8.359 -2.607 1.00 . A A . 12 SER H 1 1 4 1013 1 1 12 SER HA H -6.216 6.674 -2.568 1.00 . A A . 12 SER HA 1 1 4 1014 1 1 12 SER HB2 H -5.322 8.595 -4.731 1.00 . A A . 12 SER HB2 1 1 4 1015 1 1 12 SER HB3 H -6.939 7.910 -4.575 1.00 . A A . 12 SER HB3 1 1 4 1016 1 1 12 SER HG H -6.873 8.909 -2.388 1.00 . A A . 12 SER HG 1 1 4 1017 1 1 12 SER N N -4.302 7.443 -2.511 1.00 . A A . 12 SER N 1 1 4 1018 1 1 12 SER O O -5.923 4.989 -4.445 1.00 . A A . 12 SER O 1 1 4 1019 1 1 12 SER OG O -6.418 9.274 -3.151 1.00 . A A . 12 SER OG 1 1 4 1020 1 1 13 LYS C C -3.419 3.621 -5.138 1.00 . A A . 13 LYS C 1 1 4 1021 1 1 13 LYS CA C -3.498 4.997 -5.792 1.00 . A A . 13 LYS CA 1 1 4 1022 1 1 13 LYS CB C -2.130 5.381 -6.359 1.00 . A A . 13 LYS CB 1 1 4 1023 1 1 13 LYS CD C -0.736 7.039 -7.632 1.00 . A A . 13 LYS CD 1 1 4 1024 1 1 13 LYS CE C -0.727 8.354 -8.397 1.00 . A A . 13 LYS CE 1 1 4 1025 1 1 13 LYS CG C -2.124 6.703 -7.111 1.00 . A A . 13 LYS CG 1 1 4 1026 1 1 13 LYS H H -3.372 6.766 -4.630 1.00 . A A . 13 LYS H 1 1 4 1027 1 1 13 LYS HA H -4.215 4.958 -6.599 1.00 . A A . 13 LYS HA 1 1 4 1028 1 1 13 LYS HB2 H -1.424 5.453 -5.544 1.00 . A A . 13 LYS HB2 1 1 4 1029 1 1 13 LYS HB3 H -1.804 4.606 -7.037 1.00 . A A . 13 LYS HB3 1 1 4 1030 1 1 13 LYS HD2 H -0.057 7.118 -6.796 1.00 . A A . 13 LYS HD2 1 1 4 1031 1 1 13 LYS HD3 H -0.409 6.247 -8.291 1.00 . A A . 13 LYS HD3 1 1 4 1032 1 1 13 LYS HE2 H -1.071 9.139 -7.740 1.00 . A A . 13 LYS HE2 1 1 4 1033 1 1 13 LYS HE3 H 0.285 8.565 -8.709 1.00 . A A . 13 LYS HE3 1 1 4 1034 1 1 13 LYS HG2 H -2.805 6.634 -7.946 1.00 . A A . 13 LYS HG2 1 1 4 1035 1 1 13 LYS HG3 H -2.449 7.487 -6.442 1.00 . A A . 13 LYS HG3 1 1 4 1036 1 1 13 LYS HZ1 H -2.573 8.596 -9.345 1.00 . A A . 13 LYS HZ1 1 1 4 1037 1 1 13 LYS HZ2 H -1.635 7.341 -9.983 1.00 . A A . 13 LYS HZ2 1 1 4 1038 1 1 13 LYS HZ3 H -1.245 8.949 -10.331 1.00 . A A . 13 LYS HZ3 1 1 4 1039 1 1 13 LYS N N -3.952 6.003 -4.838 1.00 . A A . 13 LYS N 1 1 4 1040 1 1 13 LYS NZ N -1.607 8.306 -9.598 1.00 . A A . 13 LYS NZ 1 1 4 1041 1 1 13 LYS O O -2.755 3.447 -4.115 1.00 . A A . 13 LYS O 1 1 4 1042 1 1 14 CYS C C -2.764 0.594 -5.508 1.00 . A A . 14 CYS C 1 1 4 1043 1 1 14 CYS CA C -4.092 1.282 -5.217 1.00 . A A . 14 CYS CA 1 1 4 1044 1 1 14 CYS CB C -5.245 0.478 -5.827 1.00 . A A . 14 CYS CB 1 1 4 1045 1 1 14 CYS H H -4.599 2.844 -6.553 1.00 . A A . 14 CYS H 1 1 4 1046 1 1 14 CYS HA H -4.228 1.336 -4.148 1.00 . A A . 14 CYS HA 1 1 4 1047 1 1 14 CYS HB2 H -5.164 0.506 -6.903 1.00 . A A . 14 CYS HB2 1 1 4 1048 1 1 14 CYS HB3 H -5.176 -0.546 -5.493 1.00 . A A . 14 CYS HB3 1 1 4 1049 1 1 14 CYS N N -4.093 2.644 -5.739 1.00 . A A . 14 CYS N 1 1 4 1050 1 1 14 CYS O O -2.282 0.615 -6.642 1.00 . A A . 14 CYS O 1 1 4 1051 1 1 14 CYS SG S -6.898 1.102 -5.379 1.00 . A A . 14 CYS SG 1 1 4 1052 1 1 15 GLY C C -0.352 -1.211 -3.366 1.00 . A A . 15 GLY C 1 1 4 1053 1 1 15 GLY CA C -0.899 -0.685 -4.668 1.00 . A A . 15 GLY CA 1 1 4 1054 1 1 15 GLY H H -2.588 0.001 -3.589 1.00 . A A . 15 GLY H 1 1 4 1055 1 1 15 GLY HA2 H -1.036 -1.510 -5.353 1.00 . A A . 15 GLY HA2 1 1 4 1056 1 1 15 GLY HA3 H -0.190 0.010 -5.092 1.00 . A A . 15 GLY HA3 1 1 4 1057 1 1 15 GLY N N -2.166 -0.011 -4.483 1.00 . A A . 15 GLY N 1 1 4 1058 1 1 15 GLY O O -0.555 -0.605 -2.323 1.00 . A A . 15 GLY O 1 1 4 1059 1 1 16 MET C C 1.717 -1.898 -1.437 1.00 . A A . 16 MET C 1 1 4 1060 1 1 16 MET CA C 0.900 -2.933 -2.214 1.00 . A A . 16 MET CA 1 1 4 1061 1 1 16 MET CB C 1.770 -4.137 -2.582 1.00 . A A . 16 MET CB 1 1 4 1062 1 1 16 MET CE C 2.697 -6.219 -4.823 1.00 . A A . 16 MET CE 1 1 4 1063 1 1 16 MET CG C 2.935 -3.794 -3.498 1.00 . A A . 16 MET CG 1 1 4 1064 1 1 16 MET H H 0.465 -2.788 -4.281 1.00 . A A . 16 MET H 1 1 4 1065 1 1 16 MET HA H 0.079 -3.265 -1.598 1.00 . A A . 16 MET HA 1 1 4 1066 1 1 16 MET HB2 H 2.165 -4.570 -1.678 1.00 . A A . 16 MET HB2 1 1 4 1067 1 1 16 MET HB3 H 1.153 -4.871 -3.081 1.00 . A A . 16 MET HB3 1 1 4 1068 1 1 16 MET HE1 H 2.202 -5.605 -5.562 1.00 . A A . 16 MET HE1 1 1 4 1069 1 1 16 MET HE2 H 1.968 -6.596 -4.121 1.00 . A A . 16 MET HE2 1 1 4 1070 1 1 16 MET HE3 H 3.185 -7.048 -5.313 1.00 . A A . 16 MET HE3 1 1 4 1071 1 1 16 MET HG2 H 2.546 -3.346 -4.400 1.00 . A A . 16 MET HG2 1 1 4 1072 1 1 16 MET HG3 H 3.575 -3.086 -2.992 1.00 . A A . 16 MET HG3 1 1 4 1073 1 1 16 MET N N 0.337 -2.341 -3.418 1.00 . A A . 16 MET N 1 1 4 1074 1 1 16 MET O O 2.608 -1.253 -1.993 1.00 . A A . 16 MET O 1 1 4 1075 1 1 16 MET SD S 3.916 -5.239 -3.951 1.00 . A A . 16 MET SD 1 1 4 1076 1 1 17 CYS C C 3.230 -1.480 1.469 1.00 . A A . 17 CYS C 1 1 4 1077 1 1 17 CYS CA C 2.119 -0.785 0.694 1.00 . A A . 17 CYS CA 1 1 4 1078 1 1 17 CYS CB C 1.156 -0.078 1.654 1.00 . A A . 17 CYS CB 1 1 4 1079 1 1 17 CYS H H 0.694 -2.286 0.246 1.00 . A A . 17 CYS H 1 1 4 1080 1 1 17 CYS HA H 2.570 -0.049 0.043 1.00 . A A . 17 CYS HA 1 1 4 1081 1 1 17 CYS HB2 H 0.279 -0.690 1.785 1.00 . A A . 17 CYS HB2 1 1 4 1082 1 1 17 CYS HB3 H 1.644 0.045 2.611 1.00 . A A . 17 CYS HB3 1 1 4 1083 1 1 17 CYS N N 1.410 -1.742 -0.149 1.00 . A A . 17 CYS N 1 1 4 1084 1 1 17 CYS O O 3.053 -1.868 2.623 1.00 . A A . 17 CYS O 1 1 4 1085 1 1 17 CYS SG S 0.595 1.573 1.104 1.00 . A A . 17 CYS SG 1 1 4 1086 1 1 18 CYS C C 6.097 -1.460 2.548 1.00 . A A . 18 CYS C 1 1 4 1087 1 1 18 CYS CA C 5.521 -2.295 1.412 1.00 . A A . 18 CYS CA 1 1 4 1088 1 1 18 CYS CB C 6.593 -2.547 0.352 1.00 . A A . 18 CYS CB 1 1 4 1089 1 1 18 CYS H H 4.435 -1.314 -0.108 1.00 . A A . 18 CYS H 1 1 4 1090 1 1 18 CYS HA H 5.194 -3.243 1.809 1.00 . A A . 18 CYS HA 1 1 4 1091 1 1 18 CYS HB2 H 6.957 -1.599 -0.015 1.00 . A A . 18 CYS HB2 1 1 4 1092 1 1 18 CYS HB3 H 7.413 -3.093 0.801 1.00 . A A . 18 CYS HB3 1 1 4 1093 1 1 18 CYS N N 4.370 -1.641 0.810 1.00 . A A . 18 CYS N 1 1 4 1094 1 1 18 CYS O O 6.238 -0.242 2.430 1.00 . A A . 18 CYS O 1 1 4 1095 1 1 18 CYS SG S 6.004 -3.509 -1.078 1.00 . A A . 18 CYS SG 1 1 4 1096 1 1 19 LYS C C 8.166 -0.568 4.438 1.00 . A A . 19 LYS C 1 1 4 1097 1 1 19 LYS CA C 6.993 -1.471 4.817 1.00 . A A . 19 LYS CA 1 1 4 1098 1 1 19 LYS CB C 7.420 -2.510 5.865 1.00 . A A . 19 LYS CB 1 1 4 1099 1 1 19 LYS CD C 9.565 -3.377 4.833 1.00 . A A . 19 LYS CD 1 1 4 1100 1 1 19 LYS CE C 10.213 -4.550 4.115 1.00 . A A . 19 LYS CE 1 1 4 1101 1 1 19 LYS CG C 8.158 -3.721 5.298 1.00 . A A . 19 LYS CG 1 1 4 1102 1 1 19 LYS H H 6.283 -3.097 3.663 1.00 . A A . 19 LYS H 1 1 4 1103 1 1 19 LYS HA H 6.217 -0.853 5.244 1.00 . A A . 19 LYS HA 1 1 4 1104 1 1 19 LYS HB2 H 8.070 -2.031 6.582 1.00 . A A . 19 LYS HB2 1 1 4 1105 1 1 19 LYS HB3 H 6.538 -2.865 6.377 1.00 . A A . 19 LYS HB3 1 1 4 1106 1 1 19 LYS HD2 H 9.517 -2.538 4.158 1.00 . A A . 19 LYS HD2 1 1 4 1107 1 1 19 LYS HD3 H 10.164 -3.118 5.694 1.00 . A A . 19 LYS HD3 1 1 4 1108 1 1 19 LYS HE2 H 9.636 -4.776 3.230 1.00 . A A . 19 LYS HE2 1 1 4 1109 1 1 19 LYS HE3 H 11.216 -4.270 3.828 1.00 . A A . 19 LYS HE3 1 1 4 1110 1 1 19 LYS HG2 H 8.225 -4.476 6.065 1.00 . A A . 19 LYS HG2 1 1 4 1111 1 1 19 LYS HG3 H 7.600 -4.112 4.460 1.00 . A A . 19 LYS HG3 1 1 4 1112 1 1 19 LYS HZ1 H 10.789 -6.524 4.483 1.00 . A A . 19 LYS HZ1 1 1 4 1113 1 1 19 LYS HZ2 H 9.315 -6.097 5.195 1.00 . A A . 19 LYS HZ2 1 1 4 1114 1 1 19 LYS HZ3 H 10.766 -5.548 5.865 1.00 . A A . 19 LYS HZ3 1 1 4 1115 1 1 19 LYS N N 6.427 -2.130 3.644 1.00 . A A . 19 LYS N 1 1 4 1116 1 1 19 LYS NZ N 10.275 -5.765 4.975 1.00 . A A . 19 LYS NZ 1 1 4 1117 1 1 19 LYS O O 8.916 -0.861 3.507 1.00 . A A . 19 LYS O 1 1 4 1118 1 1 20 THR C C 10.745 0.860 5.128 1.00 . A A . 20 THR C 1 1 4 1119 1 1 20 THR CA C 9.378 1.494 4.897 1.00 . A A . 20 THR CA 1 1 4 1120 1 1 20 THR CB C 9.247 2.745 5.787 1.00 . A A . 20 THR CB 1 1 4 1121 1 1 20 THR CG2 C 7.940 3.471 5.511 1.00 . A A . 20 THR CG2 1 1 4 1122 1 1 20 THR H H 7.669 0.725 5.880 1.00 . A A . 20 THR H 1 1 4 1123 1 1 20 THR HA H 9.304 1.804 3.863 1.00 . A A . 20 THR HA 1 1 4 1124 1 1 20 THR HB H 10.067 3.412 5.565 1.00 . A A . 20 THR HB 1 1 4 1125 1 1 20 THR HG1 H 8.510 2.659 7.615 1.00 . A A . 20 THR HG1 1 1 4 1126 1 1 20 THR HG21 H 7.402 3.609 6.438 1.00 . A A . 20 THR HG21 1 1 4 1127 1 1 20 THR HG22 H 7.339 2.886 4.830 1.00 . A A . 20 THR HG22 1 1 4 1128 1 1 20 THR HG23 H 8.148 4.435 5.070 1.00 . A A . 20 THR HG23 1 1 4 1129 1 1 20 THR N N 8.305 0.541 5.158 1.00 . A A . 20 THR N 1 1 4 1130 1 1 20 THR O O 11.598 0.949 4.220 1.00 . A A . 20 THR O 1 1 4 1131 1 1 20 THR OXT O 10.951 0.280 6.213 1.00 . A A . 20 THR OXT 1 1 4 1132 1 1 20 THR OG1 O 9.310 2.372 7.169 1.00 . A A . 20 THR OG1 1 1 5 1133 1 1 1 ILE C C 3.018 -8.964 1.998 1.00 . A A . 1 ILE C 1 1 5 1134 1 1 1 ILE CA C 3.394 -10.336 1.447 1.00 . A A . 1 ILE CA 1 1 5 1135 1 1 1 ILE CB C 2.231 -10.871 0.589 1.00 . A A . 1 ILE CB 1 1 5 1136 1 1 1 ILE CD1 C -0.209 -11.612 0.682 1.00 . A A . 1 ILE CD1 1 1 5 1137 1 1 1 ILE CG1 C 1.001 -11.139 1.461 1.00 . A A . 1 ILE CG1 1 1 5 1138 1 1 1 ILE CG2 C 2.657 -12.133 -0.147 1.00 . A A . 1 ILE CG2 1 1 5 1139 1 1 1 ILE H1 H 3.027 -12.039 2.595 1.00 . A A . 1 ILE H1 1 1 5 1140 1 1 1 ILE H2 H 3.759 -10.778 3.454 1.00 . A A . 1 ILE H2 1 1 5 1141 1 1 1 ILE H3 H 4.671 -11.704 2.370 1.00 . A A . 1 ILE H3 1 1 5 1142 1 1 1 ILE HA H 4.262 -10.227 0.812 1.00 . A A . 1 ILE HA 1 1 5 1143 1 1 1 ILE HB H 1.984 -10.121 -0.149 1.00 . A A . 1 ILE HB 1 1 5 1144 1 1 1 ILE HD11 H -0.264 -11.078 -0.257 1.00 . A A . 1 ILE HD11 1 1 5 1145 1 1 1 ILE HD12 H -1.104 -11.422 1.256 1.00 . A A . 1 ILE HD12 1 1 5 1146 1 1 1 ILE HD13 H -0.123 -12.671 0.488 1.00 . A A . 1 ILE HD13 1 1 5 1147 1 1 1 ILE HG12 H 1.242 -11.900 2.188 1.00 . A A . 1 ILE HG12 1 1 5 1148 1 1 1 ILE HG13 H 0.729 -10.230 1.976 1.00 . A A . 1 ILE HG13 1 1 5 1149 1 1 1 ILE HG21 H 3.057 -12.845 0.560 1.00 . A A . 1 ILE HG21 1 1 5 1150 1 1 1 ILE HG22 H 3.416 -11.887 -0.877 1.00 . A A . 1 ILE HG22 1 1 5 1151 1 1 1 ILE HG23 H 1.803 -12.565 -0.648 1.00 . A A . 1 ILE HG23 1 1 5 1152 1 1 1 ILE N N 3.737 -11.279 2.542 1.00 . A A . 1 ILE N 1 1 5 1153 1 1 1 ILE O O 2.322 -8.857 3.009 1.00 . A A . 1 ILE O 1 1 5 1154 1 1 2 CYS C C 1.698 -6.289 1.746 1.00 . A A . 2 CYS C 1 1 5 1155 1 1 2 CYS CA C 3.203 -6.547 1.741 1.00 . A A . 2 CYS CA 1 1 5 1156 1 1 2 CYS CB C 3.929 -5.563 0.822 1.00 . A A . 2 CYS CB 1 1 5 1157 1 1 2 CYS H H 4.035 -8.067 0.529 1.00 . A A . 2 CYS H 1 1 5 1158 1 1 2 CYS HA H 3.574 -6.423 2.748 1.00 . A A . 2 CYS HA 1 1 5 1159 1 1 2 CYS HB2 H 3.514 -5.633 -0.171 1.00 . A A . 2 CYS HB2 1 1 5 1160 1 1 2 CYS HB3 H 3.790 -4.561 1.198 1.00 . A A . 2 CYS HB3 1 1 5 1161 1 1 2 CYS N N 3.486 -7.916 1.326 1.00 . A A . 2 CYS N 1 1 5 1162 1 1 2 CYS O O 0.965 -6.783 0.884 1.00 . A A . 2 CYS O 1 1 5 1163 1 1 2 CYS SG S 5.724 -5.871 0.702 1.00 . A A . 2 CYS SG 1 1 5 1164 1 1 3 ILE C C -0.674 -4.338 1.729 1.00 . A A . 3 ILE C 1 1 5 1165 1 1 3 ILE CA C -0.189 -5.244 2.850 1.00 . A A . 3 ILE CA 1 1 5 1166 1 1 3 ILE CB C -0.546 -4.627 4.219 1.00 . A A . 3 ILE CB 1 1 5 1167 1 1 3 ILE CD1 C 0.005 -2.729 5.830 1.00 . A A . 3 ILE CD1 1 1 5 1168 1 1 3 ILE CG1 C 0.333 -3.410 4.517 1.00 . A A . 3 ILE CG1 1 1 5 1169 1 1 3 ILE CG2 C -0.410 -5.671 5.318 1.00 . A A . 3 ILE CG2 1 1 5 1170 1 1 3 ILE H H 1.857 -5.169 3.395 1.00 . A A . 3 ILE H 1 1 5 1171 1 1 3 ILE HA H -0.711 -6.186 2.770 1.00 . A A . 3 ILE HA 1 1 5 1172 1 1 3 ILE HB H -1.579 -4.315 4.182 1.00 . A A . 3 ILE HB 1 1 5 1173 1 1 3 ILE HD11 H -0.203 -1.684 5.652 1.00 . A A . 3 ILE HD11 1 1 5 1174 1 1 3 ILE HD12 H 0.846 -2.819 6.503 1.00 . A A . 3 ILE HD12 1 1 5 1175 1 1 3 ILE HD13 H -0.861 -3.198 6.273 1.00 . A A . 3 ILE HD13 1 1 5 1176 1 1 3 ILE HG12 H 1.366 -3.720 4.555 1.00 . A A . 3 ILE HG12 1 1 5 1177 1 1 3 ILE HG13 H 0.209 -2.684 3.728 1.00 . A A . 3 ILE HG13 1 1 5 1178 1 1 3 ILE HG21 H -1.391 -5.958 5.665 1.00 . A A . 3 ILE HG21 1 1 5 1179 1 1 3 ILE HG22 H 0.154 -5.257 6.140 1.00 . A A . 3 ILE HG22 1 1 5 1180 1 1 3 ILE HG23 H 0.104 -6.537 4.929 1.00 . A A . 3 ILE HG23 1 1 5 1181 1 1 3 ILE N N 1.234 -5.532 2.732 1.00 . A A . 3 ILE N 1 1 5 1182 1 1 3 ILE O O -0.549 -3.115 1.795 1.00 . A A . 3 ILE O 1 1 5 1183 1 1 4 PHE C C -2.668 -3.103 -0.004 1.00 . A A . 4 PHE C 1 1 5 1184 1 1 4 PHE CA C -1.754 -4.240 -0.459 1.00 . A A . 4 PHE CA 1 1 5 1185 1 1 4 PHE CB C -2.515 -5.216 -1.364 1.00 . A A . 4 PHE CB 1 1 5 1186 1 1 4 PHE CD1 C -1.851 -3.887 -3.398 1.00 . A A . 4 PHE CD1 1 1 5 1187 1 1 4 PHE CD2 C -3.901 -5.105 -3.451 1.00 . A A . 4 PHE CD2 1 1 5 1188 1 1 4 PHE CE1 C -2.073 -3.449 -4.688 1.00 . A A . 4 PHE CE1 1 1 5 1189 1 1 4 PHE CE2 C -4.127 -4.671 -4.743 1.00 . A A . 4 PHE CE2 1 1 5 1190 1 1 4 PHE CG C -2.761 -4.720 -2.763 1.00 . A A . 4 PHE CG 1 1 5 1191 1 1 4 PHE CZ C -3.212 -3.842 -5.362 1.00 . A A . 4 PHE CZ 1 1 5 1192 1 1 4 PHE H H -1.292 -5.940 0.717 1.00 . A A . 4 PHE H 1 1 5 1193 1 1 4 PHE HA H -0.918 -3.826 -1.003 1.00 . A A . 4 PHE HA 1 1 5 1194 1 1 4 PHE HB2 H -1.954 -6.134 -1.438 1.00 . A A . 4 PHE HB2 1 1 5 1195 1 1 4 PHE HB3 H -3.476 -5.428 -0.916 1.00 . A A . 4 PHE HB3 1 1 5 1196 1 1 4 PHE HD1 H -0.961 -3.577 -2.870 1.00 . A A . 4 PHE HD1 1 1 5 1197 1 1 4 PHE HD2 H -4.617 -5.752 -2.970 1.00 . A A . 4 PHE HD2 1 1 5 1198 1 1 4 PHE HE1 H -1.357 -2.801 -5.170 1.00 . A A . 4 PHE HE1 1 1 5 1199 1 1 4 PHE HE2 H -5.019 -4.979 -5.268 1.00 . A A . 4 PHE HE2 1 1 5 1200 1 1 4 PHE HZ H -3.388 -3.502 -6.373 1.00 . A A . 4 PHE HZ 1 1 5 1201 1 1 4 PHE N N -1.232 -4.961 0.698 1.00 . A A . 4 PHE N 1 1 5 1202 1 1 4 PHE O O -3.828 -3.326 0.345 1.00 . A A . 4 PHE O 1 1 5 1203 1 1 5 CYS C C -3.644 -0.058 -0.682 1.00 . A A . 5 CYS C 1 1 5 1204 1 1 5 CYS CA C -2.867 -0.714 0.455 1.00 . A A . 5 CYS CA 1 1 5 1205 1 1 5 CYS CB C -1.910 0.314 1.062 1.00 . A A . 5 CYS CB 1 1 5 1206 1 1 5 CYS H H -1.189 -1.784 -0.259 1.00 . A A . 5 CYS H 1 1 5 1207 1 1 5 CYS HA H -3.564 -1.030 1.215 1.00 . A A . 5 CYS HA 1 1 5 1208 1 1 5 CYS HB2 H -1.180 0.594 0.319 1.00 . A A . 5 CYS HB2 1 1 5 1209 1 1 5 CYS HB3 H -2.473 1.191 1.351 1.00 . A A . 5 CYS HB3 1 1 5 1210 1 1 5 CYS N N -2.122 -1.889 0.014 1.00 . A A . 5 CYS N 1 1 5 1211 1 1 5 CYS O O -3.062 0.599 -1.545 1.00 . A A . 5 CYS O 1 1 5 1212 1 1 5 CYS SG S -1.000 -0.266 2.530 1.00 . A A . 5 CYS SG 1 1 5 1213 1 1 6 CYS C C -6.245 1.803 -1.214 1.00 . A A . 6 CYS C 1 1 5 1214 1 1 6 CYS CA C -5.817 0.414 -1.662 1.00 . A A . 6 CYS CA 1 1 5 1215 1 1 6 CYS CB C -7.036 -0.456 -1.966 1.00 . A A . 6 CYS CB 1 1 5 1216 1 1 6 CYS H H -5.376 -0.712 0.076 1.00 . A A . 6 CYS H 1 1 5 1217 1 1 6 CYS HA H -5.228 0.520 -2.561 1.00 . A A . 6 CYS HA 1 1 5 1218 1 1 6 CYS HB2 H -7.381 -0.914 -1.050 1.00 . A A . 6 CYS HB2 1 1 5 1219 1 1 6 CYS HB3 H -7.822 0.165 -2.370 1.00 . A A . 6 CYS HB3 1 1 5 1220 1 1 6 CYS N N -4.965 -0.203 -0.654 1.00 . A A . 6 CYS N 1 1 5 1221 1 1 6 CYS O O -7.434 2.088 -1.063 1.00 . A A . 6 CYS O 1 1 5 1222 1 1 6 CYS SG S -6.711 -1.789 -3.163 1.00 . A A . 6 CYS SG 1 1 5 1223 1 1 7 GLY C C -5.835 4.090 0.925 1.00 . A A . 7 GLY C 1 1 5 1224 1 1 7 GLY CA C -5.521 4.013 -0.555 1.00 . A A . 7 GLY CA 1 1 5 1225 1 1 7 GLY H H -4.334 2.358 -1.133 1.00 . A A . 7 GLY H 1 1 5 1226 1 1 7 GLY HA2 H -4.653 4.622 -0.760 1.00 . A A . 7 GLY HA2 1 1 5 1227 1 1 7 GLY HA3 H -6.361 4.402 -1.110 1.00 . A A . 7 GLY HA3 1 1 5 1228 1 1 7 GLY N N -5.257 2.657 -0.996 1.00 . A A . 7 GLY N 1 1 5 1229 1 1 7 GLY O O -6.732 4.825 1.339 1.00 . A A . 7 GLY O 1 1 5 1230 1 1 8 CYS C C -4.775 4.580 3.797 1.00 . A A . 8 CYS C 1 1 5 1231 1 1 8 CYS CA C -5.293 3.317 3.169 1.00 . A A . 8 CYS CA 1 1 5 1232 1 1 8 CYS CB C -4.522 2.161 3.831 1.00 . A A . 8 CYS CB 1 1 5 1233 1 1 8 CYS H H -4.391 2.768 1.335 1.00 . A A . 8 CYS H 1 1 5 1234 1 1 8 CYS HA H -6.346 3.213 3.374 1.00 . A A . 8 CYS HA 1 1 5 1235 1 1 8 CYS HB2 H -4.898 2.018 4.833 1.00 . A A . 8 CYS HB2 1 1 5 1236 1 1 8 CYS HB3 H -4.691 1.258 3.261 1.00 . A A . 8 CYS HB3 1 1 5 1237 1 1 8 CYS N N -5.092 3.331 1.724 1.00 . A A . 8 CYS N 1 1 5 1238 1 1 8 CYS O O -5.426 5.211 4.632 1.00 . A A . 8 CYS O 1 1 5 1239 1 1 8 CYS SG S -2.695 2.412 3.955 1.00 . A A . 8 CYS SG 1 1 5 1240 1 1 9 CYS C C -2.180 6.853 3.001 1.00 . A A . 9 CYS C 1 1 5 1241 1 1 9 CYS CA C -2.815 5.941 4.049 1.00 . A A . 9 CYS CA 1 1 5 1242 1 1 9 CYS CB C -1.774 5.264 4.927 1.00 . A A . 9 CYS CB 1 1 5 1243 1 1 9 CYS H H -3.066 4.252 2.855 1.00 . A A . 9 CYS H 1 1 5 1244 1 1 9 CYS HA H -3.486 6.511 4.671 1.00 . A A . 9 CYS HA 1 1 5 1245 1 1 9 CYS HB2 H -0.882 5.079 4.346 1.00 . A A . 9 CYS HB2 1 1 5 1246 1 1 9 CYS HB3 H -1.535 5.906 5.762 1.00 . A A . 9 CYS HB3 1 1 5 1247 1 1 9 CYS N N -3.538 4.857 3.464 1.00 . A A . 9 CYS N 1 1 5 1248 1 1 9 CYS O O -2.414 8.062 2.992 1.00 . A A . 9 CYS O 1 1 5 1249 1 1 9 CYS SG S -2.366 3.653 5.600 1.00 . A A . 9 CYS SG 1 1 5 1250 1 1 10 HIS C C -1.657 7.350 -0.067 1.00 . A A . 10 HIS C 1 1 5 1251 1 1 10 HIS CA C -0.690 7.021 1.078 1.00 . A A . 10 HIS CA 1 1 5 1252 1 1 10 HIS CB C 0.523 6.231 0.571 1.00 . A A . 10 HIS CB 1 1 5 1253 1 1 10 HIS CD2 C 2.034 6.923 -1.424 1.00 . A A . 10 HIS CD2 1 1 5 1254 1 1 10 HIS CE1 C 2.939 8.709 -0.535 1.00 . A A . 10 HIS CE1 1 1 5 1255 1 1 10 HIS CG C 1.519 7.064 -0.180 1.00 . A A . 10 HIS CG 1 1 5 1256 1 1 10 HIS H H -1.218 5.298 2.188 1.00 . A A . 10 HIS H 1 1 5 1257 1 1 10 HIS HA H -0.346 7.947 1.514 1.00 . A A . 10 HIS HA 1 1 5 1258 1 1 10 HIS HB2 H 1.032 5.789 1.414 1.00 . A A . 10 HIS HB2 1 1 5 1259 1 1 10 HIS HB3 H 0.181 5.447 -0.088 1.00 . A A . 10 HIS HB3 1 1 5 1260 1 1 10 HIS HD1 H 1.939 8.559 1.244 1.00 . A A . 10 HIS HD1 1 1 5 1261 1 1 10 HIS HD2 H 1.797 6.141 -2.132 1.00 . A A . 10 HIS HD2 1 1 5 1262 1 1 10 HIS HE1 H 3.539 9.597 -0.394 1.00 . A A . 10 HIS HE1 1 1 5 1263 1 1 10 HIS HE2 H 3.362 8.173 -2.465 1.00 . A A . 10 HIS HE2 1 1 5 1264 1 1 10 HIS N N -1.369 6.265 2.125 1.00 . A A . 10 HIS N 1 1 5 1265 1 1 10 HIS ND1 N 2.107 8.191 0.351 1.00 . A A . 10 HIS ND1 1 1 5 1266 1 1 10 HIS NE2 N 2.915 7.959 -1.619 1.00 . A A . 10 HIS NE2 1 1 5 1267 1 1 10 HIS O O -2.770 7.819 0.173 1.00 . A A . 10 HIS O 1 1 5 1268 1 1 11 ARG C C -3.290 6.476 -2.493 1.00 . A A . 11 ARG C 1 1 5 1269 1 1 11 ARG CA C -2.064 7.381 -2.473 1.00 . A A . 11 ARG CA 1 1 5 1270 1 1 11 ARG CB C -1.258 7.190 -3.760 1.00 . A A . 11 ARG CB 1 1 5 1271 1 1 11 ARG CD C -0.517 9.574 -4.148 1.00 . A A . 11 ARG CD 1 1 5 1272 1 1 11 ARG CG C -0.074 8.139 -3.898 1.00 . A A . 11 ARG CG 1 1 5 1273 1 1 11 ARG CZ C -1.717 11.384 -2.992 1.00 . A A . 11 ARG CZ 1 1 5 1274 1 1 11 ARG H H -0.339 6.733 -1.443 1.00 . A A . 11 ARG H 1 1 5 1275 1 1 11 ARG HA H -2.391 8.408 -2.413 1.00 . A A . 11 ARG HA 1 1 5 1276 1 1 11 ARG HB2 H -0.883 6.178 -3.787 1.00 . A A . 11 ARG HB2 1 1 5 1277 1 1 11 ARG HB3 H -1.913 7.344 -4.605 1.00 . A A . 11 ARG HB3 1 1 5 1278 1 1 11 ARG HD2 H 0.354 10.170 -4.374 1.00 . A A . 11 ARG HD2 1 1 5 1279 1 1 11 ARG HD3 H -1.188 9.585 -4.995 1.00 . A A . 11 ARG HD3 1 1 5 1280 1 1 11 ARG HE H -1.275 9.613 -2.186 1.00 . A A . 11 ARG HE 1 1 5 1281 1 1 11 ARG HG2 H 0.505 8.108 -2.987 1.00 . A A . 11 ARG HG2 1 1 5 1282 1 1 11 ARG HG3 H 0.539 7.812 -4.725 1.00 . A A . 11 ARG HG3 1 1 5 1283 1 1 11 ARG HH11 H -1.186 11.801 -4.898 1.00 . A A . 11 ARG HH11 1 1 5 1284 1 1 11 ARG HH12 H -2.025 13.068 -4.068 1.00 . A A . 11 ARG HH12 1 1 5 1285 1 1 11 ARG HH21 H -2.382 11.276 -1.086 1.00 . A A . 11 ARG HH21 1 1 5 1286 1 1 11 ARG HH22 H -2.705 12.771 -1.901 1.00 . A A . 11 ARG HH22 1 1 5 1287 1 1 11 ARG N N -1.232 7.107 -1.307 1.00 . A A . 11 ARG N 1 1 5 1288 1 1 11 ARG NE N -1.201 10.159 -2.996 1.00 . A A . 11 ARG NE 1 1 5 1289 1 1 11 ARG NH1 N -1.636 12.147 -4.074 1.00 . A A . 11 ARG NH1 1 1 5 1290 1 1 11 ARG NH2 N -2.317 11.848 -1.903 1.00 . A A . 11 ARG NH2 1 1 5 1291 1 1 11 ARG O O -3.229 5.328 -2.055 1.00 . A A . 11 ARG O 1 1 5 1292 1 1 12 SER C C -5.430 4.967 -3.904 1.00 . A A . 12 SER C 1 1 5 1293 1 1 12 SER CA C -5.639 6.238 -3.091 1.00 . A A . 12 SER CA 1 1 5 1294 1 1 12 SER CB C -6.746 7.085 -3.719 1.00 . A A . 12 SER CB 1 1 5 1295 1 1 12 SER H H -4.380 7.917 -3.347 1.00 . A A . 12 SER H 1 1 5 1296 1 1 12 SER HA H -5.929 5.966 -2.087 1.00 . A A . 12 SER HA 1 1 5 1297 1 1 12 SER HB2 H -6.445 7.390 -4.712 1.00 . A A . 12 SER HB2 1 1 5 1298 1 1 12 SER HB3 H -7.652 6.501 -3.781 1.00 . A A . 12 SER HB3 1 1 5 1299 1 1 12 SER HG H -7.448 7.996 -2.133 1.00 . A A . 12 SER HG 1 1 5 1300 1 1 12 SER N N -4.399 7.000 -3.007 1.00 . A A . 12 SER N 1 1 5 1301 1 1 12 SER O O -6.017 3.926 -3.613 1.00 . A A . 12 SER O 1 1 5 1302 1 1 12 SER OG O -7.002 8.245 -2.945 1.00 . A A . 12 SER OG 1 1 5 1303 1 1 13 LYS C C -3.741 2.758 -4.983 1.00 . A A . 13 LYS C 1 1 5 1304 1 1 13 LYS CA C -4.290 3.931 -5.790 1.00 . A A . 13 LYS CA 1 1 5 1305 1 1 13 LYS CB C -3.288 4.338 -6.872 1.00 . A A . 13 LYS CB 1 1 5 1306 1 1 13 LYS CD C -2.745 5.869 -8.806 1.00 . A A . 13 LYS CD 1 1 5 1307 1 1 13 LYS CE C -2.516 4.777 -9.844 1.00 . A A . 13 LYS CE 1 1 5 1308 1 1 13 LYS CG C -3.782 5.466 -7.764 1.00 . A A . 13 LYS CG 1 1 5 1309 1 1 13 LYS H H -4.151 5.930 -5.099 1.00 . A A . 13 LYS H 1 1 5 1310 1 1 13 LYS HA H -5.211 3.627 -6.263 1.00 . A A . 13 LYS HA 1 1 5 1311 1 1 13 LYS HB2 H -2.372 4.657 -6.396 1.00 . A A . 13 LYS HB2 1 1 5 1312 1 1 13 LYS HB3 H -3.080 3.480 -7.494 1.00 . A A . 13 LYS HB3 1 1 5 1313 1 1 13 LYS HD2 H -3.087 6.760 -9.311 1.00 . A A . 13 LYS HD2 1 1 5 1314 1 1 13 LYS HD3 H -1.811 6.077 -8.305 1.00 . A A . 13 LYS HD3 1 1 5 1315 1 1 13 LYS HE2 H -3.470 4.493 -10.263 1.00 . A A . 13 LYS HE2 1 1 5 1316 1 1 13 LYS HE3 H -1.886 5.173 -10.628 1.00 . A A . 13 LYS HE3 1 1 5 1317 1 1 13 LYS HG2 H -4.678 5.143 -8.272 1.00 . A A . 13 LYS HG2 1 1 5 1318 1 1 13 LYS HG3 H -4.009 6.325 -7.147 1.00 . A A . 13 LYS HG3 1 1 5 1319 1 1 13 LYS HZ1 H -1.253 3.118 -9.972 1.00 . A A . 13 LYS HZ1 1 1 5 1320 1 1 13 LYS HZ2 H -2.589 2.884 -8.962 1.00 . A A . 13 LYS HZ2 1 1 5 1321 1 1 13 LYS HZ3 H -1.291 3.834 -8.439 1.00 . A A . 13 LYS HZ3 1 1 5 1322 1 1 13 LYS N N -4.587 5.068 -4.925 1.00 . A A . 13 LYS N 1 1 5 1323 1 1 13 LYS NZ N -1.866 3.569 -9.263 1.00 . A A . 13 LYS NZ 1 1 5 1324 1 1 13 LYS O O -2.891 2.935 -4.109 1.00 . A A . 13 LYS O 1 1 5 1325 1 1 14 CYS C C -2.302 0.129 -4.740 1.00 . A A . 14 CYS C 1 1 5 1326 1 1 14 CYS CA C -3.805 0.351 -4.584 1.00 . A A . 14 CYS CA 1 1 5 1327 1 1 14 CYS CB C -4.563 -0.868 -5.112 1.00 . A A . 14 CYS CB 1 1 5 1328 1 1 14 CYS H H -4.914 1.486 -5.986 1.00 . A A . 14 CYS H 1 1 5 1329 1 1 14 CYS HA H -4.029 0.475 -3.535 1.00 . A A . 14 CYS HA 1 1 5 1330 1 1 14 CYS HB2 H -4.364 -0.974 -6.168 1.00 . A A . 14 CYS HB2 1 1 5 1331 1 1 14 CYS HB3 H -4.211 -1.749 -4.596 1.00 . A A . 14 CYS HB3 1 1 5 1332 1 1 14 CYS N N -4.237 1.560 -5.280 1.00 . A A . 14 CYS N 1 1 5 1333 1 1 14 CYS O O -1.732 0.384 -5.800 1.00 . A A . 14 CYS O 1 1 5 1334 1 1 14 CYS SG S -6.373 -0.789 -4.901 1.00 . A A . 14 CYS SG 1 1 5 1335 1 1 15 GLY C C 0.233 -1.306 -2.439 1.00 . A A . 15 GLY C 1 1 5 1336 1 1 15 GLY CA C -0.242 -0.616 -3.702 1.00 . A A . 15 GLY CA 1 1 5 1337 1 1 15 GLY H H -2.181 -0.544 -2.858 1.00 . A A . 15 GLY H 1 1 5 1338 1 1 15 GLY HA2 H -0.017 -1.246 -4.551 1.00 . A A . 15 GLY HA2 1 1 5 1339 1 1 15 GLY HA3 H 0.285 0.320 -3.808 1.00 . A A . 15 GLY HA3 1 1 5 1340 1 1 15 GLY N N -1.670 -0.356 -3.673 1.00 . A A . 15 GLY N 1 1 5 1341 1 1 15 GLY O O 0.017 -0.806 -1.336 1.00 . A A . 15 GLY O 1 1 5 1342 1 1 16 MET C C 2.264 -2.375 -0.568 1.00 . A A . 16 MET C 1 1 5 1343 1 1 16 MET CA C 1.373 -3.227 -1.463 1.00 . A A . 16 MET CA 1 1 5 1344 1 1 16 MET CB C 2.150 -4.454 -1.948 1.00 . A A . 16 MET CB 1 1 5 1345 1 1 16 MET CE C 2.569 -7.623 -1.751 1.00 . A A . 16 MET CE 1 1 5 1346 1 1 16 MET CG C 1.336 -5.386 -2.830 1.00 . A A . 16 MET CG 1 1 5 1347 1 1 16 MET H H 1.011 -2.807 -3.507 1.00 . A A . 16 MET H 1 1 5 1348 1 1 16 MET HA H 0.521 -3.559 -0.890 1.00 . A A . 16 MET HA 1 1 5 1349 1 1 16 MET HB2 H 3.009 -4.120 -2.512 1.00 . A A . 16 MET HB2 1 1 5 1350 1 1 16 MET HB3 H 2.490 -5.012 -1.089 1.00 . A A . 16 MET HB3 1 1 5 1351 1 1 16 MET HE1 H 3.634 -7.674 -1.577 1.00 . A A . 16 MET HE1 1 1 5 1352 1 1 16 MET HE2 H 2.156 -8.621 -1.751 1.00 . A A . 16 MET HE2 1 1 5 1353 1 1 16 MET HE3 H 2.104 -7.041 -0.970 1.00 . A A . 16 MET HE3 1 1 5 1354 1 1 16 MET HG2 H 0.461 -5.705 -2.284 1.00 . A A . 16 MET HG2 1 1 5 1355 1 1 16 MET HG3 H 1.030 -4.848 -3.715 1.00 . A A . 16 MET HG3 1 1 5 1356 1 1 16 MET N N 0.875 -2.460 -2.600 1.00 . A A . 16 MET N 1 1 5 1357 1 1 16 MET O O 3.164 -1.685 -1.048 1.00 . A A . 16 MET O 1 1 5 1358 1 1 16 MET SD S 2.260 -6.850 -3.338 1.00 . A A . 16 MET SD 1 1 5 1359 1 1 17 CYS C C 3.853 -2.590 2.349 1.00 . A A . 17 CYS C 1 1 5 1360 1 1 17 CYS CA C 2.818 -1.683 1.698 1.00 . A A . 17 CYS CA 1 1 5 1361 1 1 17 CYS CB C 1.929 -1.049 2.769 1.00 . A A . 17 CYS CB 1 1 5 1362 1 1 17 CYS H H 1.300 -3.021 1.069 1.00 . A A . 17 CYS H 1 1 5 1363 1 1 17 CYS HA H 3.332 -0.902 1.157 1.00 . A A . 17 CYS HA 1 1 5 1364 1 1 17 CYS HB2 H 1.263 -1.798 3.160 1.00 . A A . 17 CYS HB2 1 1 5 1365 1 1 17 CYS HB3 H 2.554 -0.678 3.569 1.00 . A A . 17 CYS HB3 1 1 5 1366 1 1 17 CYS N N 2.020 -2.439 0.741 1.00 . A A . 17 CYS N 1 1 5 1367 1 1 17 CYS O O 3.504 -3.558 3.029 1.00 . A A . 17 CYS O 1 1 5 1368 1 1 17 CYS SG S 0.907 0.339 2.176 1.00 . A A . 17 CYS SG 1 1 5 1369 1 1 18 CYS C C 6.882 -2.354 3.843 1.00 . A A . 18 CYS C 1 1 5 1370 1 1 18 CYS CA C 6.211 -3.070 2.680 1.00 . A A . 18 CYS CA 1 1 5 1371 1 1 18 CYS CB C 7.230 -3.376 1.585 1.00 . A A . 18 CYS CB 1 1 5 1372 1 1 18 CYS H H 5.333 -1.497 1.571 1.00 . A A . 18 CYS H 1 1 5 1373 1 1 18 CYS HA H 5.791 -3.992 3.044 1.00 . A A . 18 CYS HA 1 1 5 1374 1 1 18 CYS HB2 H 7.725 -2.459 1.302 1.00 . A A . 18 CYS HB2 1 1 5 1375 1 1 18 CYS HB3 H 7.962 -4.073 1.967 1.00 . A A . 18 CYS HB3 1 1 5 1376 1 1 18 CYS N N 5.123 -2.277 2.128 1.00 . A A . 18 CYS N 1 1 5 1377 1 1 18 CYS O O 8.106 -2.230 3.895 1.00 . A A . 18 CYS O 1 1 5 1378 1 1 18 CYS SG S 6.504 -4.101 0.076 1.00 . A A . 18 CYS SG 1 1 5 1379 1 1 19 LYS C C 6.368 -2.022 7.212 1.00 . A A . 19 LYS C 1 1 5 1380 1 1 19 LYS CA C 6.560 -1.184 5.952 1.00 . A A . 19 LYS CA 1 1 5 1381 1 1 19 LYS CB C 5.853 0.168 6.104 1.00 . A A . 19 LYS CB 1 1 5 1382 1 1 19 LYS CD C 6.460 0.891 3.751 1.00 . A A . 19 LYS CD 1 1 5 1383 1 1 19 LYS CE C 5.066 0.637 3.199 1.00 . A A . 19 LYS CE 1 1 5 1384 1 1 19 LYS CG C 6.427 1.277 5.224 1.00 . A A . 19 LYS CG 1 1 5 1385 1 1 19 LYS H H 5.101 -2.032 4.668 1.00 . A A . 19 LYS H 1 1 5 1386 1 1 19 LYS HA H 7.616 -1.011 5.811 1.00 . A A . 19 LYS HA 1 1 5 1387 1 1 19 LYS HB2 H 4.810 0.045 5.853 1.00 . A A . 19 LYS HB2 1 1 5 1388 1 1 19 LYS HB3 H 5.927 0.484 7.135 1.00 . A A . 19 LYS HB3 1 1 5 1389 1 1 19 LYS HD2 H 6.913 1.696 3.190 1.00 . A A . 19 LYS HD2 1 1 5 1390 1 1 19 LYS HD3 H 7.050 -0.006 3.637 1.00 . A A . 19 LYS HD3 1 1 5 1391 1 1 19 LYS HE2 H 5.154 0.320 2.170 1.00 . A A . 19 LYS HE2 1 1 5 1392 1 1 19 LYS HE3 H 4.602 -0.147 3.777 1.00 . A A . 19 LYS HE3 1 1 5 1393 1 1 19 LYS HG2 H 5.818 2.160 5.337 1.00 . A A . 19 LYS HG2 1 1 5 1394 1 1 19 LYS HG3 H 7.434 1.492 5.552 1.00 . A A . 19 LYS HG3 1 1 5 1395 1 1 19 LYS HZ1 H 4.784 2.703 3.069 1.00 . A A . 19 LYS HZ1 1 1 5 1396 1 1 19 LYS HZ2 H 3.786 1.947 4.205 1.00 . A A . 19 LYS HZ2 1 1 5 1397 1 1 19 LYS HZ3 H 3.452 1.796 2.555 1.00 . A A . 19 LYS HZ3 1 1 5 1398 1 1 19 LYS N N 6.065 -1.888 4.774 1.00 . A A . 19 LYS N 1 1 5 1399 1 1 19 LYS NZ N 4.213 1.856 3.261 1.00 . A A . 19 LYS NZ 1 1 5 1400 1 1 19 LYS O O 5.282 -2.545 7.462 1.00 . A A . 19 LYS O 1 1 5 1401 1 1 20 THR C C 6.459 -2.259 10.259 1.00 . A A . 20 THR C 1 1 5 1402 1 1 20 THR CA C 7.382 -2.916 9.238 1.00 . A A . 20 THR CA 1 1 5 1403 1 1 20 THR CB C 8.783 -3.078 9.857 1.00 . A A . 20 THR CB 1 1 5 1404 1 1 20 THR CG2 C 9.709 -3.824 8.909 1.00 . A A . 20 THR CG2 1 1 5 1405 1 1 20 THR H H 8.267 -1.702 7.749 1.00 . A A . 20 THR H 1 1 5 1406 1 1 20 THR HA H 6.999 -3.899 9.001 1.00 . A A . 20 THR HA 1 1 5 1407 1 1 20 THR HB H 8.692 -3.647 10.771 1.00 . A A . 20 THR HB 1 1 5 1408 1 1 20 THR HG1 H 9.853 -1.481 9.413 1.00 . A A . 20 THR HG1 1 1 5 1409 1 1 20 THR HG21 H 9.481 -4.880 8.940 1.00 . A A . 20 THR HG21 1 1 5 1410 1 1 20 THR HG22 H 10.734 -3.669 9.212 1.00 . A A . 20 THR HG22 1 1 5 1411 1 1 20 THR HG23 H 9.571 -3.454 7.904 1.00 . A A . 20 THR HG23 1 1 5 1412 1 1 20 THR N N 7.430 -2.144 8.002 1.00 . A A . 20 THR N 1 1 5 1413 1 1 20 THR O O 6.036 -2.954 11.207 1.00 . A A . 20 THR O 1 1 5 1414 1 1 20 THR OXT O 6.167 -1.055 10.102 1.00 . A A . 20 THR OXT 1 1 5 1415 1 1 20 THR OG1 O 9.336 -1.792 10.160 1.00 . A A . 20 THR OG1 1 1 6 1416 1 1 1 ILE C C 3.725 -8.500 2.161 1.00 . A A . 1 ILE C 1 1 6 1417 1 1 1 ILE CA C 4.330 -9.833 1.736 1.00 . A A . 1 ILE CA 1 1 6 1418 1 1 1 ILE CB C 3.268 -10.647 0.969 1.00 . A A . 1 ILE CB 1 1 6 1419 1 1 1 ILE CD1 C 0.967 -11.727 1.186 1.00 . A A . 1 ILE CD1 1 1 6 1420 1 1 1 ILE CG1 C 2.087 -10.983 1.883 1.00 . A A . 1 ILE CG1 1 1 6 1421 1 1 1 ILE CG2 C 3.888 -11.916 0.402 1.00 . A A . 1 ILE CG2 1 1 6 1422 1 1 1 ILE H1 H 4.182 -10.502 3.706 1.00 . A A . 1 ILE H1 1 1 6 1423 1 1 1 ILE H2 H 5.768 -10.206 3.200 1.00 . A A . 1 ILE H2 1 1 6 1424 1 1 1 ILE H3 H 4.956 -11.591 2.668 1.00 . A A . 1 ILE H3 1 1 6 1425 1 1 1 ILE HA H 5.159 -9.641 1.068 1.00 . A A . 1 ILE HA 1 1 6 1426 1 1 1 ILE HB H 2.917 -10.048 0.142 1.00 . A A . 1 ILE HB 1 1 6 1427 1 1 1 ILE HD11 H 1.384 -12.516 0.577 1.00 . A A . 1 ILE HD11 1 1 6 1428 1 1 1 ILE HD12 H 0.416 -11.042 0.559 1.00 . A A . 1 ILE HD12 1 1 6 1429 1 1 1 ILE HD13 H 0.304 -12.153 1.923 1.00 . A A . 1 ILE HD13 1 1 6 1430 1 1 1 ILE HG12 H 2.435 -11.599 2.698 1.00 . A A . 1 ILE HG12 1 1 6 1431 1 1 1 ILE HG13 H 1.678 -10.066 2.282 1.00 . A A . 1 ILE HG13 1 1 6 1432 1 1 1 ILE HG21 H 3.276 -12.285 -0.409 1.00 . A A . 1 ILE HG21 1 1 6 1433 1 1 1 ILE HG22 H 3.947 -12.665 1.177 1.00 . A A . 1 ILE HG22 1 1 6 1434 1 1 1 ILE HG23 H 4.880 -11.699 0.033 1.00 . A A . 1 ILE HG23 1 1 6 1435 1 1 1 ILE N N 4.845 -10.585 2.909 1.00 . A A . 1 ILE N 1 1 6 1436 1 1 1 ILE O O 3.021 -8.419 3.170 1.00 . A A . 1 ILE O 1 1 6 1437 1 1 2 CYS C C 1.958 -6.130 1.665 1.00 . A A . 2 CYS C 1 1 6 1438 1 1 2 CYS CA C 3.489 -6.125 1.684 1.00 . A A . 2 CYS CA 1 1 6 1439 1 1 2 CYS CB C 4.054 -5.113 0.687 1.00 . A A . 2 CYS CB 1 1 6 1440 1 1 2 CYS H H 4.572 -7.585 0.600 1.00 . A A . 2 CYS H 1 1 6 1441 1 1 2 CYS HA H 3.819 -5.860 2.676 1.00 . A A . 2 CYS HA 1 1 6 1442 1 1 2 CYS HB2 H 3.662 -5.324 -0.295 1.00 . A A . 2 CYS HB2 1 1 6 1443 1 1 2 CYS HB3 H 3.756 -4.120 0.986 1.00 . A A . 2 CYS HB3 1 1 6 1444 1 1 2 CYS N N 4.004 -7.456 1.388 1.00 . A A . 2 CYS N 1 1 6 1445 1 1 2 CYS O O 1.329 -6.717 0.779 1.00 . A A . 2 CYS O 1 1 6 1446 1 1 2 CYS SG S 5.876 -5.140 0.577 1.00 . A A . 2 CYS SG 1 1 6 1447 1 1 3 ILE C C -0.724 -4.562 1.717 1.00 . A A . 3 ILE C 1 1 6 1448 1 1 3 ILE CA C -0.091 -5.454 2.773 1.00 . A A . 3 ILE CA 1 1 6 1449 1 1 3 ILE CB C -0.547 -5.002 4.174 1.00 . A A . 3 ILE CB 1 1 6 1450 1 1 3 ILE CD1 C -0.252 -3.191 5.947 1.00 . A A . 3 ILE CD1 1 1 6 1451 1 1 3 ILE CG1 C 0.171 -3.714 4.591 1.00 . A A . 3 ILE CG1 1 1 6 1452 1 1 3 ILE CG2 C -0.301 -6.110 5.189 1.00 . A A . 3 ILE CG2 1 1 6 1453 1 1 3 ILE H H 1.902 -5.052 3.345 1.00 . A A . 3 ILE H 1 1 6 1454 1 1 3 ILE HA H -0.451 -6.462 2.622 1.00 . A A . 3 ILE HA 1 1 6 1455 1 1 3 ILE HB H -1.609 -4.818 4.133 1.00 . A A . 3 ILE HB 1 1 6 1456 1 1 3 ILE HD11 H -1.234 -3.569 6.189 1.00 . A A . 3 ILE HD11 1 1 6 1457 1 1 3 ILE HD12 H -0.276 -2.111 5.924 1.00 . A A . 3 ILE HD12 1 1 6 1458 1 1 3 ILE HD13 H 0.455 -3.519 6.695 1.00 . A A . 3 ILE HD13 1 1 6 1459 1 1 3 ILE HG12 H 1.234 -3.897 4.623 1.00 . A A . 3 ILE HG12 1 1 6 1460 1 1 3 ILE HG13 H -0.034 -2.945 3.859 1.00 . A A . 3 ILE HG13 1 1 6 1461 1 1 3 ILE HG21 H -0.810 -5.873 6.111 1.00 . A A . 3 ILE HG21 1 1 6 1462 1 1 3 ILE HG22 H 0.760 -6.198 5.375 1.00 . A A . 3 ILE HG22 1 1 6 1463 1 1 3 ILE HG23 H -0.677 -7.044 4.799 1.00 . A A . 3 ILE HG23 1 1 6 1464 1 1 3 ILE N N 1.359 -5.492 2.663 1.00 . A A . 3 ILE N 1 1 6 1465 1 1 3 ILE O O -0.819 -3.347 1.886 1.00 . A A . 3 ILE O 1 1 6 1466 1 1 4 PHE C C -2.826 -3.480 0.066 1.00 . A A . 4 PHE C 1 1 6 1467 1 1 4 PHE CA C -1.813 -4.490 -0.475 1.00 . A A . 4 PHE CA 1 1 6 1468 1 1 4 PHE CB C -2.506 -5.514 -1.383 1.00 . A A . 4 PHE CB 1 1 6 1469 1 1 4 PHE CD1 C -1.982 -4.247 -3.490 1.00 . A A . 4 PHE CD1 1 1 6 1470 1 1 4 PHE CD2 C -4.125 -5.273 -3.284 1.00 . A A . 4 PHE CD2 1 1 6 1471 1 1 4 PHE CE1 C -2.322 -3.784 -4.747 1.00 . A A . 4 PHE CE1 1 1 6 1472 1 1 4 PHE CE2 C -4.469 -4.815 -4.541 1.00 . A A . 4 PHE CE2 1 1 6 1473 1 1 4 PHE CG C -2.879 -4.995 -2.743 1.00 . A A . 4 PHE CG 1 1 6 1474 1 1 4 PHE CZ C -3.566 -4.069 -5.273 1.00 . A A . 4 PHE CZ 1 1 6 1475 1 1 4 PHE H H -1.050 -6.167 0.578 1.00 . A A . 4 PHE H 1 1 6 1476 1 1 4 PHE HA H -1.055 -3.966 -1.037 1.00 . A A . 4 PHE HA 1 1 6 1477 1 1 4 PHE HB2 H -1.845 -6.356 -1.526 1.00 . A A . 4 PHE HB2 1 1 6 1478 1 1 4 PHE HB3 H -3.409 -5.854 -0.899 1.00 . A A . 4 PHE HB3 1 1 6 1479 1 1 4 PHE HD1 H -1.007 -4.024 -3.077 1.00 . A A . 4 PHE HD1 1 1 6 1480 1 1 4 PHE HD2 H -4.832 -5.854 -2.710 1.00 . A A . 4 PHE HD2 1 1 6 1481 1 1 4 PHE HE1 H -1.614 -3.201 -5.317 1.00 . A A . 4 PHE HE1 1 1 6 1482 1 1 4 PHE HE2 H -5.443 -5.039 -4.951 1.00 . A A . 4 PHE HE2 1 1 6 1483 1 1 4 PHE HZ H -3.833 -3.709 -6.257 1.00 . A A . 4 PHE HZ 1 1 6 1484 1 1 4 PHE N N -1.163 -5.192 0.632 1.00 . A A . 4 PHE N 1 1 6 1485 1 1 4 PHE O O -3.976 -3.821 0.341 1.00 . A A . 4 PHE O 1 1 6 1486 1 1 5 CYS C C -3.915 -0.392 -0.328 1.00 . A A . 5 CYS C 1 1 6 1487 1 1 5 CYS CA C -3.212 -1.173 0.776 1.00 . A A . 5 CYS CA 1 1 6 1488 1 1 5 CYS CB C -2.370 -0.234 1.647 1.00 . A A . 5 CYS CB 1 1 6 1489 1 1 5 CYS H H -1.442 -2.037 0.008 1.00 . A A . 5 CYS H 1 1 6 1490 1 1 5 CYS HA H -3.964 -1.635 1.397 1.00 . A A . 5 CYS HA 1 1 6 1491 1 1 5 CYS HB2 H -2.940 0.658 1.859 1.00 . A A . 5 CYS HB2 1 1 6 1492 1 1 5 CYS HB3 H -2.134 -0.733 2.576 1.00 . A A . 5 CYS HB3 1 1 6 1493 1 1 5 CYS N N -2.372 -2.239 0.239 1.00 . A A . 5 CYS N 1 1 6 1494 1 1 5 CYS O O -3.270 0.205 -1.187 1.00 . A A . 5 CYS O 1 1 6 1495 1 1 5 CYS SG S -0.798 0.284 0.880 1.00 . A A . 5 CYS SG 1 1 6 1496 1 1 6 CYS C C -6.305 1.756 -0.868 1.00 . A A . 6 CYS C 1 1 6 1497 1 1 6 CYS CA C -6.037 0.315 -1.286 1.00 . A A . 6 CYS CA 1 1 6 1498 1 1 6 CYS CB C -7.347 -0.424 -1.556 1.00 . A A . 6 CYS CB 1 1 6 1499 1 1 6 CYS H H -5.701 -0.885 0.424 1.00 . A A . 6 CYS H 1 1 6 1500 1 1 6 CYS HA H -5.461 0.335 -2.197 1.00 . A A . 6 CYS HA 1 1 6 1501 1 1 6 CYS HB2 H -7.826 -0.651 -0.616 1.00 . A A . 6 CYS HB2 1 1 6 1502 1 1 6 CYS HB3 H -7.996 0.209 -2.142 1.00 . A A . 6 CYS HB3 1 1 6 1503 1 1 6 CYS N N -5.243 -0.395 -0.292 1.00 . A A . 6 CYS N 1 1 6 1504 1 1 6 CYS O O -7.448 2.145 -0.622 1.00 . A A . 6 CYS O 1 1 6 1505 1 1 6 CYS SG S -7.134 -1.992 -2.462 1.00 . A A . 6 CYS SG 1 1 6 1506 1 1 7 GLY C C -5.743 4.143 1.022 1.00 . A A . 7 GLY C 1 1 6 1507 1 1 7 GLY CA C -5.362 3.942 -0.430 1.00 . A A . 7 GLY CA 1 1 6 1508 1 1 7 GLY H H -4.357 2.175 -1.022 1.00 . A A . 7 GLY H 1 1 6 1509 1 1 7 GLY HA2 H -4.418 4.434 -0.611 1.00 . A A . 7 GLY HA2 1 1 6 1510 1 1 7 GLY HA3 H -6.115 4.402 -1.053 1.00 . A A . 7 GLY HA3 1 1 6 1511 1 1 7 GLY N N -5.239 2.545 -0.803 1.00 . A A . 7 GLY N 1 1 6 1512 1 1 7 GLY O O -6.650 4.917 1.329 1.00 . A A . 7 GLY O 1 1 6 1513 1 1 8 CYS C C -4.983 4.959 3.833 1.00 . A A . 8 CYS C 1 1 6 1514 1 1 8 CYS CA C -5.319 3.577 3.348 1.00 . A A . 8 CYS CA 1 1 6 1515 1 1 8 CYS CB C -4.449 2.608 4.168 1.00 . A A . 8 CYS CB 1 1 6 1516 1 1 8 CYS H H -4.330 2.859 1.619 1.00 . A A . 8 CYS H 1 1 6 1517 1 1 8 CYS HA H -6.362 3.368 3.527 1.00 . A A . 8 CYS HA 1 1 6 1518 1 1 8 CYS HB2 H -4.850 2.539 5.169 1.00 . A A . 8 CYS HB2 1 1 6 1519 1 1 8 CYS HB3 H -4.483 1.633 3.707 1.00 . A A . 8 CYS HB3 1 1 6 1520 1 1 8 CYS N N -5.047 3.454 1.921 1.00 . A A . 8 CYS N 1 1 6 1521 1 1 8 CYS O O -5.736 5.597 4.569 1.00 . A A . 8 CYS O 1 1 6 1522 1 1 8 CYS SG S -2.671 3.095 4.317 1.00 . A A . 8 CYS SG 1 1 6 1523 1 1 9 CYS C C -2.649 7.414 2.807 1.00 . A A . 9 CYS C 1 1 6 1524 1 1 9 CYS CA C -3.209 6.570 3.952 1.00 . A A . 9 CYS CA 1 1 6 1525 1 1 9 CYS CB C -2.131 6.137 4.933 1.00 . A A . 9 CYS CB 1 1 6 1526 1 1 9 CYS H H -3.217 4.733 2.970 1.00 . A A . 9 CYS H 1 1 6 1527 1 1 9 CYS HA H -3.965 7.127 4.479 1.00 . A A . 9 CYS HA 1 1 6 1528 1 1 9 CYS HB2 H -1.202 5.986 4.401 1.00 . A A . 9 CYS HB2 1 1 6 1529 1 1 9 CYS HB3 H -2.000 6.901 5.683 1.00 . A A . 9 CYS HB3 1 1 6 1530 1 1 9 CYS N N -3.777 5.344 3.492 1.00 . A A . 9 CYS N 1 1 6 1531 1 1 9 CYS O O -2.986 8.589 2.666 1.00 . A A . 9 CYS O 1 1 6 1532 1 1 9 CYS SG S -2.563 4.564 5.794 1.00 . A A . 9 CYS SG 1 1 6 1533 1 1 10 HIS C C -2.194 7.701 -0.269 1.00 . A A . 10 HIS C 1 1 6 1534 1 1 10 HIS CA C -1.182 7.493 0.860 1.00 . A A . 10 HIS CA 1 1 6 1535 1 1 10 HIS CB C 0.028 6.704 0.353 1.00 . A A . 10 HIS CB 1 1 6 1536 1 1 10 HIS CD2 C 2.434 6.998 1.281 1.00 . A A . 10 HIS CD2 1 1 6 1537 1 1 10 HIS CE1 C 2.132 6.085 3.252 1.00 . A A . 10 HIS CE1 1 1 6 1538 1 1 10 HIS CG C 1.140 6.603 1.352 1.00 . A A . 10 HIS CG 1 1 6 1539 1 1 10 HIS H H -1.563 5.863 2.158 1.00 . A A . 10 HIS H 1 1 6 1540 1 1 10 HIS HA H -0.849 8.459 1.207 1.00 . A A . 10 HIS HA 1 1 6 1541 1 1 10 HIS HB2 H -0.284 5.702 0.102 1.00 . A A . 10 HIS HB2 1 1 6 1542 1 1 10 HIS HB3 H 0.419 7.187 -0.532 1.00 . A A . 10 HIS HB3 1 1 6 1543 1 1 10 HIS HD1 H 0.155 5.652 2.954 1.00 . A A . 10 HIS HD1 1 1 6 1544 1 1 10 HIS HD2 H 2.909 7.486 0.442 1.00 . A A . 10 HIS HD2 1 1 6 1545 1 1 10 HIS HE1 H 2.308 5.716 4.251 1.00 . A A . 10 HIS HE1 1 1 6 1546 1 1 10 HIS HE2 H 3.945 6.888 2.735 1.00 . A A . 10 HIS HE2 1 1 6 1547 1 1 10 HIS N N -1.792 6.802 1.992 1.00 . A A . 10 HIS N 1 1 6 1548 1 1 10 HIS ND1 N 0.984 6.034 2.599 1.00 . A A . 10 HIS ND1 1 1 6 1549 1 1 10 HIS NE2 N 3.027 6.665 2.473 1.00 . A A . 10 HIS NE2 1 1 6 1550 1 1 10 HIS O O -3.365 7.981 -0.018 1.00 . A A . 10 HIS O 1 1 6 1551 1 1 11 ARG C C -3.747 6.738 -2.661 1.00 . A A . 11 ARG C 1 1 6 1552 1 1 11 ARG CA C -2.597 7.738 -2.676 1.00 . A A . 11 ARG CA 1 1 6 1553 1 1 11 ARG CB C -1.790 7.585 -3.967 1.00 . A A . 11 ARG CB 1 1 6 1554 1 1 11 ARG CD C 0.042 8.463 -5.447 1.00 . A A . 11 ARG CD 1 1 6 1555 1 1 11 ARG CG C -0.683 8.615 -4.118 1.00 . A A . 11 ARG CG 1 1 6 1556 1 1 11 ARG CZ C 0.842 10.780 -5.701 1.00 . A A . 11 ARG CZ 1 1 6 1557 1 1 11 ARG H H -0.790 7.341 -1.651 1.00 . A A . 11 ARG H 1 1 6 1558 1 1 11 ARG HA H -3.006 8.736 -2.636 1.00 . A A . 11 ARG HA 1 1 6 1559 1 1 11 ARG HB2 H -1.342 6.603 -3.985 1.00 . A A . 11 ARG HB2 1 1 6 1560 1 1 11 ARG HB3 H -2.458 7.682 -4.810 1.00 . A A . 11 ARG HB3 1 1 6 1561 1 1 11 ARG HD2 H 0.495 7.484 -5.485 1.00 . A A . 11 ARG HD2 1 1 6 1562 1 1 11 ARG HD3 H -0.679 8.556 -6.247 1.00 . A A . 11 ARG HD3 1 1 6 1563 1 1 11 ARG HE H 2.009 9.161 -5.687 1.00 . A A . 11 ARG HE 1 1 6 1564 1 1 11 ARG HG2 H -1.113 9.604 -4.066 1.00 . A A . 11 ARG HG2 1 1 6 1565 1 1 11 ARG HG3 H 0.028 8.486 -3.314 1.00 . A A . 11 ARG HG3 1 1 6 1566 1 1 11 ARG HH11 H -1.165 10.600 -5.523 1.00 . A A . 11 ARG HH11 1 1 6 1567 1 1 11 ARG HH12 H -0.576 12.221 -5.690 1.00 . A A . 11 ARG HH12 1 1 6 1568 1 1 11 ARG HH21 H 2.786 11.290 -5.907 1.00 . A A . 11 ARG HH21 1 1 6 1569 1 1 11 ARG HH22 H 1.667 12.613 -5.907 1.00 . A A . 11 ARG HH22 1 1 6 1570 1 1 11 ARG N N -1.733 7.563 -1.512 1.00 . A A . 11 ARG N 1 1 6 1571 1 1 11 ARG NE N 1.082 9.473 -5.625 1.00 . A A . 11 ARG NE 1 1 6 1572 1 1 11 ARG NH1 N -0.402 11.238 -5.632 1.00 . A A . 11 ARG NH1 1 1 6 1573 1 1 11 ARG NH2 N 1.848 11.631 -5.851 1.00 . A A . 11 ARG NH2 1 1 6 1574 1 1 11 ARG O O -3.604 5.621 -2.164 1.00 . A A . 11 ARG O 1 1 6 1575 1 1 12 SER C C -5.757 4.992 -3.984 1.00 . A A . 12 SER C 1 1 6 1576 1 1 12 SER CA C -6.069 6.298 -3.266 1.00 . A A . 12 SER CA 1 1 6 1577 1 1 12 SER CB C -7.214 7.025 -3.973 1.00 . A A . 12 SER CB 1 1 6 1578 1 1 12 SER H H -4.930 8.049 -3.593 1.00 . A A . 12 SER H 1 1 6 1579 1 1 12 SER HA H -6.365 6.075 -2.252 1.00 . A A . 12 SER HA 1 1 6 1580 1 1 12 SER HB2 H -7.466 7.917 -3.421 1.00 . A A . 12 SER HB2 1 1 6 1581 1 1 12 SER HB3 H -6.904 7.295 -4.972 1.00 . A A . 12 SER HB3 1 1 6 1582 1 1 12 SER HG H -8.861 6.427 -4.850 1.00 . A A . 12 SER HG 1 1 6 1583 1 1 12 SER N N -4.886 7.150 -3.211 1.00 . A A . 12 SER N 1 1 6 1584 1 1 12 SER O O -6.327 3.947 -3.669 1.00 . A A . 12 SER O 1 1 6 1585 1 1 12 SER OG O -8.365 6.202 -4.059 1.00 . A A . 12 SER OG 1 1 6 1586 1 1 13 LYS C C -3.989 2.765 -4.801 1.00 . A A . 13 LYS C 1 1 6 1587 1 1 13 LYS CA C -4.457 3.889 -5.723 1.00 . A A . 13 LYS CA 1 1 6 1588 1 1 13 LYS CB C -3.348 4.247 -6.716 1.00 . A A . 13 LYS CB 1 1 6 1589 1 1 13 LYS CD C -0.996 5.074 -7.076 1.00 . A A . 13 LYS CD 1 1 6 1590 1 1 13 LYS CE C -0.540 3.798 -7.765 1.00 . A A . 13 LYS CE 1 1 6 1591 1 1 13 LYS CG C -2.093 4.801 -6.057 1.00 . A A . 13 LYS CG 1 1 6 1592 1 1 13 LYS H H -4.436 5.931 -5.153 1.00 . A A . 13 LYS H 1 1 6 1593 1 1 13 LYS HA H -5.323 3.549 -6.272 1.00 . A A . 13 LYS HA 1 1 6 1594 1 1 13 LYS HB2 H -3.077 3.360 -7.268 1.00 . A A . 13 LYS HB2 1 1 6 1595 1 1 13 LYS HB3 H -3.724 4.988 -7.405 1.00 . A A . 13 LYS HB3 1 1 6 1596 1 1 13 LYS HD2 H -1.374 5.758 -7.822 1.00 . A A . 13 LYS HD2 1 1 6 1597 1 1 13 LYS HD3 H -0.153 5.521 -6.570 1.00 . A A . 13 LYS HD3 1 1 6 1598 1 1 13 LYS HE2 H -1.385 3.357 -8.274 1.00 . A A . 13 LYS HE2 1 1 6 1599 1 1 13 LYS HE3 H 0.224 4.047 -8.487 1.00 . A A . 13 LYS HE3 1 1 6 1600 1 1 13 LYS HG2 H -2.341 5.725 -5.556 1.00 . A A . 13 LYS HG2 1 1 6 1601 1 1 13 LYS HG3 H -1.731 4.084 -5.335 1.00 . A A . 13 LYS HG3 1 1 6 1602 1 1 13 LYS HZ1 H -0.670 2.037 -6.649 1.00 . A A . 13 LYS HZ1 1 1 6 1603 1 1 13 LYS HZ2 H 0.201 3.268 -5.885 1.00 . A A . 13 LYS HZ2 1 1 6 1604 1 1 13 LYS HZ3 H 0.898 2.407 -7.163 1.00 . A A . 13 LYS HZ3 1 1 6 1605 1 1 13 LYS N N -4.851 5.065 -4.953 1.00 . A A . 13 LYS N 1 1 6 1606 1 1 13 LYS NZ N 0.010 2.808 -6.798 1.00 . A A . 13 LYS NZ 1 1 6 1607 1 1 13 LYS O O -3.164 2.981 -3.913 1.00 . A A . 13 LYS O 1 1 6 1608 1 1 14 CYS C C -2.758 -0.063 -4.543 1.00 . A A . 14 CYS C 1 1 6 1609 1 1 14 CYS CA C -4.166 0.412 -4.202 1.00 . A A . 14 CYS CA 1 1 6 1610 1 1 14 CYS CB C -5.173 -0.722 -4.409 1.00 . A A . 14 CYS CB 1 1 6 1611 1 1 14 CYS H H -5.181 1.459 -5.736 1.00 . A A . 14 CYS H 1 1 6 1612 1 1 14 CYS HA H -4.185 0.715 -3.165 1.00 . A A . 14 CYS HA 1 1 6 1613 1 1 14 CYS HB2 H -6.166 -0.302 -4.482 1.00 . A A . 14 CYS HB2 1 1 6 1614 1 1 14 CYS HB3 H -4.938 -1.241 -5.327 1.00 . A A . 14 CYS HB3 1 1 6 1615 1 1 14 CYS N N -4.526 1.568 -5.015 1.00 . A A . 14 CYS N 1 1 6 1616 1 1 14 CYS O O -2.336 -0.002 -5.699 1.00 . A A . 14 CYS O 1 1 6 1617 1 1 14 CYS SG S -5.189 -1.952 -3.064 1.00 . A A . 14 CYS SG 1 1 6 1618 1 1 15 GLY C C -0.117 -1.647 -2.504 1.00 . A A . 15 GLY C 1 1 6 1619 1 1 15 GLY CA C -0.679 -1.000 -3.746 1.00 . A A . 15 GLY CA 1 1 6 1620 1 1 15 GLY H H -2.418 -0.556 -2.628 1.00 . A A . 15 GLY H 1 1 6 1621 1 1 15 GLY HA2 H -0.679 -1.720 -4.551 1.00 . A A . 15 GLY HA2 1 1 6 1622 1 1 15 GLY HA3 H -0.055 -0.163 -4.020 1.00 . A A . 15 GLY HA3 1 1 6 1623 1 1 15 GLY N N -2.033 -0.531 -3.532 1.00 . A A . 15 GLY N 1 1 6 1624 1 1 15 GLY O O -0.379 -1.190 -1.398 1.00 . A A . 15 GLY O 1 1 6 1625 1 1 16 MET C C 1.955 -2.451 -0.617 1.00 . A A . 16 MET C 1 1 6 1626 1 1 16 MET CA C 1.229 -3.421 -1.550 1.00 . A A . 16 MET CA 1 1 6 1627 1 1 16 MET CB C 2.183 -4.512 -2.043 1.00 . A A . 16 MET CB 1 1 6 1628 1 1 16 MET CE C 2.034 -5.284 -5.128 1.00 . A A . 16 MET CE 1 1 6 1629 1 1 16 MET CG C 3.263 -4.009 -2.990 1.00 . A A . 16 MET CG 1 1 6 1630 1 1 16 MET H H 0.816 -3.041 -3.587 1.00 . A A . 16 MET H 1 1 6 1631 1 1 16 MET HA H 0.420 -3.884 -1.005 1.00 . A A . 16 MET HA 1 1 6 1632 1 1 16 MET HB2 H 2.666 -4.961 -1.190 1.00 . A A . 16 MET HB2 1 1 6 1633 1 1 16 MET HB3 H 1.608 -5.268 -2.558 1.00 . A A . 16 MET HB3 1 1 6 1634 1 1 16 MET HE1 H 2.829 -6.011 -5.042 1.00 . A A . 16 MET HE1 1 1 6 1635 1 1 16 MET HE2 H 1.686 -5.251 -6.150 1.00 . A A . 16 MET HE2 1 1 6 1636 1 1 16 MET HE3 H 1.218 -5.566 -4.479 1.00 . A A . 16 MET HE3 1 1 6 1637 1 1 16 MET HG2 H 3.674 -3.097 -2.588 1.00 . A A . 16 MET HG2 1 1 6 1638 1 1 16 MET HG3 H 4.041 -4.755 -3.056 1.00 . A A . 16 MET HG3 1 1 6 1639 1 1 16 MET N N 0.647 -2.716 -2.680 1.00 . A A . 16 MET N 1 1 6 1640 1 1 16 MET O O 2.830 -1.699 -1.048 1.00 . A A . 16 MET O 1 1 6 1641 1 1 16 MET SD S 2.646 -3.670 -4.652 1.00 . A A . 16 MET SD 1 1 6 1642 1 1 17 CYS C C 3.387 -2.305 2.318 1.00 . A A . 17 CYS C 1 1 6 1643 1 1 17 CYS CA C 2.213 -1.599 1.655 1.00 . A A . 17 CYS CA 1 1 6 1644 1 1 17 CYS CB C 1.193 -1.157 2.712 1.00 . A A . 17 CYS CB 1 1 6 1645 1 1 17 CYS H H 0.893 -3.103 0.959 1.00 . A A . 17 CYS H 1 1 6 1646 1 1 17 CYS HA H 2.582 -0.727 1.136 1.00 . A A . 17 CYS HA 1 1 6 1647 1 1 17 CYS HB2 H 0.375 -1.861 2.725 1.00 . A A . 17 CYS HB2 1 1 6 1648 1 1 17 CYS HB3 H 1.672 -1.158 3.681 1.00 . A A . 17 CYS HB3 1 1 6 1649 1 1 17 CYS N N 1.589 -2.475 0.667 1.00 . A A . 17 CYS N 1 1 6 1650 1 1 17 CYS O O 3.207 -3.283 3.046 1.00 . A A . 17 CYS O 1 1 6 1651 1 1 17 CYS SG S 0.482 0.505 2.445 1.00 . A A . 17 CYS SG 1 1 6 1652 1 1 18 CYS C C 6.274 -1.626 3.829 1.00 . A A . 18 CYS C 1 1 6 1653 1 1 18 CYS CA C 5.799 -2.401 2.608 1.00 . A A . 18 CYS CA 1 1 6 1654 1 1 18 CYS CB C 6.889 -2.436 1.541 1.00 . A A . 18 CYS CB 1 1 6 1655 1 1 18 CYS H H 4.665 -1.037 1.456 1.00 . A A . 18 CYS H 1 1 6 1656 1 1 18 CYS HA H 5.565 -3.408 2.912 1.00 . A A . 18 CYS HA 1 1 6 1657 1 1 18 CYS HB2 H 7.172 -1.422 1.296 1.00 . A A . 18 CYS HB2 1 1 6 1658 1 1 18 CYS HB3 H 7.748 -2.963 1.929 1.00 . A A . 18 CYS HB3 1 1 6 1659 1 1 18 CYS N N 4.589 -1.813 2.052 1.00 . A A . 18 CYS N 1 1 6 1660 1 1 18 CYS O O 7.433 -1.218 3.911 1.00 . A A . 18 CYS O 1 1 6 1661 1 1 18 CYS SG S 6.382 -3.259 -0.006 1.00 . A A . 18 CYS SG 1 1 6 1662 1 1 19 LYS C C 5.680 -1.616 7.201 1.00 . A A . 19 LYS C 1 1 6 1663 1 1 19 LYS CA C 5.675 -0.691 5.989 1.00 . A A . 19 LYS CA 1 1 6 1664 1 1 19 LYS CB C 4.685 0.462 6.192 1.00 . A A . 19 LYS CB 1 1 6 1665 1 1 19 LYS CD C 4.379 1.067 3.759 1.00 . A A . 19 LYS CD 1 1 6 1666 1 1 19 LYS CE C 4.736 2.069 2.674 1.00 . A A . 19 LYS CE 1 1 6 1667 1 1 19 LYS CG C 4.796 1.560 5.139 1.00 . A A . 19 LYS CG 1 1 6 1668 1 1 19 LYS H H 4.461 -1.776 4.636 1.00 . A A . 19 LYS H 1 1 6 1669 1 1 19 LYS HA H 6.665 -0.283 5.874 1.00 . A A . 19 LYS HA 1 1 6 1670 1 1 19 LYS HB2 H 3.680 0.067 6.164 1.00 . A A . 19 LYS HB2 1 1 6 1671 1 1 19 LYS HB3 H 4.861 0.905 7.161 1.00 . A A . 19 LYS HB3 1 1 6 1672 1 1 19 LYS HD2 H 4.884 0.136 3.553 1.00 . A A . 19 LYS HD2 1 1 6 1673 1 1 19 LYS HD3 H 3.311 0.909 3.754 1.00 . A A . 19 LYS HD3 1 1 6 1674 1 1 19 LYS HE2 H 5.806 2.216 2.676 1.00 . A A . 19 LYS HE2 1 1 6 1675 1 1 19 LYS HE3 H 4.432 1.666 1.719 1.00 . A A . 19 LYS HE3 1 1 6 1676 1 1 19 LYS HG2 H 4.156 2.381 5.423 1.00 . A A . 19 LYS HG2 1 1 6 1677 1 1 19 LYS HG3 H 5.820 1.899 5.095 1.00 . A A . 19 LYS HG3 1 1 6 1678 1 1 19 LYS HZ1 H 3.288 3.500 2.201 1.00 . A A . 19 LYS HZ1 1 1 6 1679 1 1 19 LYS HZ2 H 4.746 4.157 2.753 1.00 . A A . 19 LYS HZ2 1 1 6 1680 1 1 19 LYS HZ3 H 3.676 3.435 3.847 1.00 . A A . 19 LYS HZ3 1 1 6 1681 1 1 19 LYS N N 5.365 -1.424 4.769 1.00 . A A . 19 LYS N 1 1 6 1682 1 1 19 LYS NZ N 4.065 3.382 2.884 1.00 . A A . 19 LYS NZ 1 1 6 1683 1 1 19 LYS O O 4.953 -1.396 8.171 1.00 . A A . 19 LYS O 1 1 6 1684 1 1 20 THR C C 7.116 -2.953 9.499 1.00 . A A . 20 THR C 1 1 6 1685 1 1 20 THR CA C 6.624 -3.618 8.217 1.00 . A A . 20 THR CA 1 1 6 1686 1 1 20 THR CB C 7.583 -4.765 7.846 1.00 . A A . 20 THR CB 1 1 6 1687 1 1 20 THR CG2 C 8.957 -4.224 7.475 1.00 . A A . 20 THR CG2 1 1 6 1688 1 1 20 THR H H 7.062 -2.761 6.331 1.00 . A A . 20 THR H 1 1 6 1689 1 1 20 THR HA H 5.644 -4.038 8.395 1.00 . A A . 20 THR HA 1 1 6 1690 1 1 20 THR HB H 7.178 -5.292 6.994 1.00 . A A . 20 THR HB 1 1 6 1691 1 1 20 THR HG1 H 7.403 -6.549 8.671 1.00 . A A . 20 THR HG1 1 1 6 1692 1 1 20 THR HG21 H 9.611 -5.045 7.220 1.00 . A A . 20 THR HG21 1 1 6 1693 1 1 20 THR HG22 H 9.369 -3.682 8.313 1.00 . A A . 20 THR HG22 1 1 6 1694 1 1 20 THR HG23 H 8.865 -3.561 6.628 1.00 . A A . 20 THR HG23 1 1 6 1695 1 1 20 THR N N 6.509 -2.650 7.132 1.00 . A A . 20 THR N 1 1 6 1696 1 1 20 THR O O 6.757 -3.439 10.592 1.00 . A A . 20 THR O 1 1 6 1697 1 1 20 THR OXT O 7.859 -1.954 9.399 1.00 . A A . 20 THR OXT 1 1 6 1698 1 1 20 THR OG1 O 7.705 -5.679 8.944 1.00 . A A . 20 THR OG1 1 1 7 1699 1 1 1 ILE C C 3.533 -7.358 3.432 1.00 . A A . 1 ILE C 1 1 7 1700 1 1 1 ILE CA C 3.962 -8.768 3.829 1.00 . A A . 1 ILE CA 1 1 7 1701 1 1 1 ILE CB C 2.705 -9.663 3.951 1.00 . A A . 1 ILE CB 1 1 7 1702 1 1 1 ILE CD1 C 2.230 -9.103 6.411 1.00 . A A . 1 ILE CD1 1 1 7 1703 1 1 1 ILE CG1 C 1.715 -9.101 4.985 1.00 . A A . 1 ILE CG1 1 1 7 1704 1 1 1 ILE CG2 C 3.103 -11.088 4.311 1.00 . A A . 1 ILE CG2 1 1 7 1705 1 1 1 ILE H1 H 4.547 -9.602 5.651 1.00 . A A . 1 ILE H1 1 1 7 1706 1 1 1 ILE H2 H 4.516 -7.911 5.650 1.00 . A A . 1 ILE H2 1 1 7 1707 1 1 1 ILE H3 H 5.771 -8.734 4.869 1.00 . A A . 1 ILE H3 1 1 7 1708 1 1 1 ILE HA H 4.588 -9.172 3.045 1.00 . A A . 1 ILE HA 1 1 7 1709 1 1 1 ILE HB H 2.223 -9.691 2.985 1.00 . A A . 1 ILE HB 1 1 7 1710 1 1 1 ILE HD11 H 1.419 -9.332 7.086 1.00 . A A . 1 ILE HD11 1 1 7 1711 1 1 1 ILE HD12 H 2.633 -8.130 6.649 1.00 . A A . 1 ILE HD12 1 1 7 1712 1 1 1 ILE HD13 H 3.005 -9.848 6.513 1.00 . A A . 1 ILE HD13 1 1 7 1713 1 1 1 ILE HG12 H 1.479 -8.081 4.725 1.00 . A A . 1 ILE HG12 1 1 7 1714 1 1 1 ILE HG13 H 0.810 -9.691 4.959 1.00 . A A . 1 ILE HG13 1 1 7 1715 1 1 1 ILE HG21 H 3.540 -11.101 5.299 1.00 . A A . 1 ILE HG21 1 1 7 1716 1 1 1 ILE HG22 H 3.825 -11.452 3.594 1.00 . A A . 1 ILE HG22 1 1 7 1717 1 1 1 ILE HG23 H 2.228 -11.721 4.296 1.00 . A A . 1 ILE HG23 1 1 7 1718 1 1 1 ILE N N 4.754 -8.753 5.087 1.00 . A A . 1 ILE N 1 1 7 1719 1 1 1 ILE O O 3.096 -6.571 4.270 1.00 . A A . 1 ILE O 1 1 7 1720 1 1 2 CYS C C 1.785 -5.530 1.725 1.00 . A A . 2 CYS C 1 1 7 1721 1 1 2 CYS CA C 3.297 -5.731 1.638 1.00 . A A . 2 CYS CA 1 1 7 1722 1 1 2 CYS CB C 3.767 -5.578 0.190 1.00 . A A . 2 CYS CB 1 1 7 1723 1 1 2 CYS H H 4.025 -7.713 1.526 1.00 . A A . 2 CYS H 1 1 7 1724 1 1 2 CYS HA H 3.786 -4.989 2.248 1.00 . A A . 2 CYS HA 1 1 7 1725 1 1 2 CYS HB2 H 3.148 -6.190 -0.446 1.00 . A A . 2 CYS HB2 1 1 7 1726 1 1 2 CYS HB3 H 3.668 -4.544 -0.106 1.00 . A A . 2 CYS HB3 1 1 7 1727 1 1 2 CYS N N 3.667 -7.046 2.146 1.00 . A A . 2 CYS N 1 1 7 1728 1 1 2 CYS O O 1.008 -6.269 1.115 1.00 . A A . 2 CYS O 1 1 7 1729 1 1 2 CYS SG S 5.502 -6.073 -0.081 1.00 . A A . 2 CYS SG 1 1 7 1730 1 1 3 ILE C C -0.577 -3.472 1.424 1.00 . A A . 3 ILE C 1 1 7 1731 1 1 3 ILE CA C -0.050 -4.239 2.622 1.00 . A A . 3 ILE CA 1 1 7 1732 1 1 3 ILE CB C -0.351 -3.457 3.906 1.00 . A A . 3 ILE CB 1 1 7 1733 1 1 3 ILE CD1 C 0.332 -1.363 5.187 1.00 . A A . 3 ILE CD1 1 1 7 1734 1 1 3 ILE CG1 C 0.710 -2.381 4.133 1.00 . A A . 3 ILE CG1 1 1 7 1735 1 1 3 ILE CG2 C -0.426 -4.403 5.096 1.00 . A A . 3 ILE CG2 1 1 7 1736 1 1 3 ILE H H 2.017 -3.948 2.930 1.00 . A A . 3 ILE H 1 1 7 1737 1 1 3 ILE HA H -0.569 -5.184 2.679 1.00 . A A . 3 ILE HA 1 1 7 1738 1 1 3 ILE HB H -1.313 -2.991 3.786 1.00 . A A . 3 ILE HB 1 1 7 1739 1 1 3 ILE HD11 H 1.056 -1.386 5.987 1.00 . A A . 3 ILE HD11 1 1 7 1740 1 1 3 ILE HD12 H -0.646 -1.597 5.579 1.00 . A A . 3 ILE HD12 1 1 7 1741 1 1 3 ILE HD13 H 0.316 -0.378 4.745 1.00 . A A . 3 ILE HD13 1 1 7 1742 1 1 3 ILE HG12 H 1.626 -2.857 4.451 1.00 . A A . 3 ILE HG12 1 1 7 1743 1 1 3 ILE HG13 H 0.887 -1.860 3.206 1.00 . A A . 3 ILE HG13 1 1 7 1744 1 1 3 ILE HG21 H -1.424 -4.385 5.508 1.00 . A A . 3 ILE HG21 1 1 7 1745 1 1 3 ILE HG22 H 0.280 -4.088 5.851 1.00 . A A . 3 ILE HG22 1 1 7 1746 1 1 3 ILE HG23 H -0.187 -5.406 4.776 1.00 . A A . 3 ILE HG23 1 1 7 1747 1 1 3 ILE N N 1.365 -4.521 2.475 1.00 . A A . 3 ILE N 1 1 7 1748 1 1 3 ILE O O -0.500 -2.244 1.371 1.00 . A A . 3 ILE O 1 1 7 1749 1 1 4 PHE C C -2.546 -2.434 -0.426 1.00 . A A . 4 PHE C 1 1 7 1750 1 1 4 PHE CA C -1.652 -3.627 -0.755 1.00 . A A . 4 PHE CA 1 1 7 1751 1 1 4 PHE CB C -2.440 -4.681 -1.538 1.00 . A A . 4 PHE CB 1 1 7 1752 1 1 4 PHE CD1 C -2.188 -3.413 -3.696 1.00 . A A . 4 PHE CD1 1 1 7 1753 1 1 4 PHE CD2 C -4.251 -4.534 -3.270 1.00 . A A . 4 PHE CD2 1 1 7 1754 1 1 4 PHE CE1 C -2.674 -2.975 -4.913 1.00 . A A . 4 PHE CE1 1 1 7 1755 1 1 4 PHE CE2 C -4.741 -4.097 -4.485 1.00 . A A . 4 PHE CE2 1 1 7 1756 1 1 4 PHE CG C -2.970 -4.198 -2.860 1.00 . A A . 4 PHE CG 1 1 7 1757 1 1 4 PHE CZ C -3.952 -3.317 -5.308 1.00 . A A . 4 PHE CZ 1 1 7 1758 1 1 4 PHE H H -1.121 -5.189 0.578 1.00 . A A . 4 PHE H 1 1 7 1759 1 1 4 PHE HA H -0.825 -3.287 -1.358 1.00 . A A . 4 PHE HA 1 1 7 1760 1 1 4 PHE HB2 H -1.798 -5.528 -1.729 1.00 . A A . 4 PHE HB2 1 1 7 1761 1 1 4 PHE HB3 H -3.280 -5.005 -0.940 1.00 . A A . 4 PHE HB3 1 1 7 1762 1 1 4 PHE HD1 H -1.189 -3.144 -3.388 1.00 . A A . 4 PHE HD1 1 1 7 1763 1 1 4 PHE HD2 H -4.870 -5.144 -2.627 1.00 . A A . 4 PHE HD2 1 1 7 1764 1 1 4 PHE HE1 H -2.055 -2.365 -5.554 1.00 . A A . 4 PHE HE1 1 1 7 1765 1 1 4 PHE HE2 H -5.742 -4.366 -4.793 1.00 . A A . 4 PHE HE2 1 1 7 1766 1 1 4 PHE HZ H -4.334 -2.975 -6.258 1.00 . A A . 4 PHE HZ 1 1 7 1767 1 1 4 PHE N N -1.106 -4.215 0.464 1.00 . A A . 4 PHE N 1 1 7 1768 1 1 4 PHE O O -3.665 -2.595 0.060 1.00 . A A . 4 PHE O 1 1 7 1769 1 1 5 CYS C C -3.589 0.402 -1.644 1.00 . A A . 5 CYS C 1 1 7 1770 1 1 5 CYS CA C -2.767 -0.005 -0.432 1.00 . A A . 5 CYS CA 1 1 7 1771 1 1 5 CYS CB C -1.801 1.120 -0.050 1.00 . A A . 5 CYS CB 1 1 7 1772 1 1 5 CYS H H -1.137 -1.179 -1.085 1.00 . A A . 5 CYS H 1 1 7 1773 1 1 5 CYS HA H -3.438 -0.190 0.393 1.00 . A A . 5 CYS HA 1 1 7 1774 1 1 5 CYS HB2 H -1.080 1.248 -0.843 1.00 . A A . 5 CYS HB2 1 1 7 1775 1 1 5 CYS HB3 H -2.359 2.036 0.071 1.00 . A A . 5 CYS HB3 1 1 7 1776 1 1 5 CYS N N -2.034 -1.237 -0.695 1.00 . A A . 5 CYS N 1 1 7 1777 1 1 5 CYS O O -3.217 1.316 -2.380 1.00 . A A . 5 CYS O 1 1 7 1778 1 1 5 CYS SG S -0.875 0.826 1.494 1.00 . A A . 5 CYS SG 1 1 7 1779 1 1 6 CYS C C -6.448 1.203 -2.714 1.00 . A A . 6 CYS C 1 1 7 1780 1 1 6 CYS CA C -5.565 -0.006 -2.990 1.00 . A A . 6 CYS CA 1 1 7 1781 1 1 6 CYS CB C -6.413 -1.228 -3.342 1.00 . A A . 6 CYS CB 1 1 7 1782 1 1 6 CYS H H -4.935 -1.015 -1.237 1.00 . A A . 6 CYS H 1 1 7 1783 1 1 6 CYS HA H -4.928 0.230 -3.826 1.00 . A A . 6 CYS HA 1 1 7 1784 1 1 6 CYS HB2 H -5.829 -2.122 -3.176 1.00 . A A . 6 CYS HB2 1 1 7 1785 1 1 6 CYS HB3 H -7.281 -1.251 -2.699 1.00 . A A . 6 CYS HB3 1 1 7 1786 1 1 6 CYS N N -4.698 -0.292 -1.855 1.00 . A A . 6 CYS N 1 1 7 1787 1 1 6 CYS O O -7.676 1.117 -2.745 1.00 . A A . 6 CYS O 1 1 7 1788 1 1 6 CYS SG S -6.999 -1.264 -5.069 1.00 . A A . 6 CYS SG 1 1 7 1789 1 1 7 GLY C C -7.467 3.435 -0.998 1.00 . A A . 7 GLY C 1 1 7 1790 1 1 7 GLY CA C -6.517 3.562 -2.171 1.00 . A A . 7 GLY CA 1 1 7 1791 1 1 7 GLY H H -4.823 2.326 -2.448 1.00 . A A . 7 GLY H 1 1 7 1792 1 1 7 GLY HA2 H -5.801 4.340 -1.955 1.00 . A A . 7 GLY HA2 1 1 7 1793 1 1 7 GLY HA3 H -7.082 3.843 -3.047 1.00 . A A . 7 GLY HA3 1 1 7 1794 1 1 7 GLY N N -5.801 2.331 -2.449 1.00 . A A . 7 GLY N 1 1 7 1795 1 1 7 GLY O O -8.583 3.951 -1.038 1.00 . A A . 7 GLY O 1 1 7 1796 1 1 8 CYS C C -7.870 3.793 2.089 1.00 . A A . 8 CYS C 1 1 7 1797 1 1 8 CYS CA C -7.854 2.557 1.235 1.00 . A A . 8 CYS CA 1 1 7 1798 1 1 8 CYS CB C -7.311 1.420 2.124 1.00 . A A . 8 CYS CB 1 1 7 1799 1 1 8 CYS H H -6.127 2.357 0.024 1.00 . A A . 8 CYS H 1 1 7 1800 1 1 8 CYS HA H -8.857 2.318 0.922 1.00 . A A . 8 CYS HA 1 1 7 1801 1 1 8 CYS HB2 H -8.086 1.111 2.807 1.00 . A A . 8 CYS HB2 1 1 7 1802 1 1 8 CYS HB3 H -7.045 0.583 1.494 1.00 . A A . 8 CYS HB3 1 1 7 1803 1 1 8 CYS N N -7.027 2.746 0.049 1.00 . A A . 8 CYS N 1 1 7 1804 1 1 8 CYS O O -8.916 4.260 2.541 1.00 . A A . 8 CYS O 1 1 7 1805 1 1 8 CYS SG S -5.825 1.856 3.132 1.00 . A A . 8 CYS SG 1 1 7 1806 1 1 9 CYS C C -5.555 6.403 2.760 1.00 . A A . 9 CYS C 1 1 7 1807 1 1 9 CYS CA C -6.479 5.316 3.312 1.00 . A A . 9 CYS CA 1 1 7 1808 1 1 9 CYS CB C -5.907 4.661 4.559 1.00 . A A . 9 CYS CB 1 1 7 1809 1 1 9 CYS H H -5.890 3.749 2.068 1.00 . A A . 9 CYS H 1 1 7 1810 1 1 9 CYS HA H -7.440 5.744 3.549 1.00 . A A . 9 CYS HA 1 1 7 1811 1 1 9 CYS HB2 H -4.829 4.636 4.487 1.00 . A A . 9 CYS HB2 1 1 7 1812 1 1 9 CYS HB3 H -6.199 5.229 5.429 1.00 . A A . 9 CYS HB3 1 1 7 1813 1 1 9 CYS N N -6.673 4.233 2.401 1.00 . A A . 9 CYS N 1 1 7 1814 1 1 9 CYS O O -5.938 7.570 2.672 1.00 . A A . 9 CYS O 1 1 7 1815 1 1 9 CYS SG S -6.510 2.932 4.782 1.00 . A A . 9 CYS SG 1 1 7 1816 1 1 10 HIS C C -3.644 7.335 0.436 1.00 . A A . 10 HIS C 1 1 7 1817 1 1 10 HIS CA C -3.343 6.958 1.893 1.00 . A A . 10 HIS CA 1 1 7 1818 1 1 10 HIS CB C -1.935 6.367 2.025 1.00 . A A . 10 HIS CB 1 1 7 1819 1 1 10 HIS CD2 C 0.077 7.653 3.042 1.00 . A A . 10 HIS CD2 1 1 7 1820 1 1 10 HIS CE1 C 0.387 9.103 1.427 1.00 . A A . 10 HIS CE1 1 1 7 1821 1 1 10 HIS CG C -0.851 7.402 2.087 1.00 . A A . 10 HIS CG 1 1 7 1822 1 1 10 HIS H H -4.079 5.073 2.520 1.00 . A A . 10 HIS H 1 1 7 1823 1 1 10 HIS HA H -3.401 7.852 2.495 1.00 . A A . 10 HIS HA 1 1 7 1824 1 1 10 HIS HB2 H -1.883 5.778 2.929 1.00 . A A . 10 HIS HB2 1 1 7 1825 1 1 10 HIS HB3 H -1.740 5.730 1.175 1.00 . A A . 10 HIS HB3 1 1 7 1826 1 1 10 HIS HD1 H -1.141 8.407 0.257 1.00 . A A . 10 HIS HD1 1 1 7 1827 1 1 10 HIS HD2 H 0.201 7.116 3.973 1.00 . A A . 10 HIS HD2 1 1 7 1828 1 1 10 HIS HE1 H 0.784 9.916 0.838 1.00 . A A . 10 HIS HE1 1 1 7 1829 1 1 10 HIS HE2 H 1.511 9.183 3.135 1.00 . A A . 10 HIS HE2 1 1 7 1830 1 1 10 HIS N N -4.330 6.015 2.411 1.00 . A A . 10 HIS N 1 1 7 1831 1 1 10 HIS ND1 N -0.630 8.328 1.089 1.00 . A A . 10 HIS ND1 1 1 7 1832 1 1 10 HIS NE2 N 0.833 8.714 2.607 1.00 . A A . 10 HIS NE2 1 1 7 1833 1 1 10 HIS O O -4.763 7.733 0.114 1.00 . A A . 10 HIS O 1 1 7 1834 1 1 11 ARG C C -3.966 6.820 -2.475 1.00 . A A . 11 ARG C 1 1 7 1835 1 1 11 ARG CA C -2.792 7.563 -1.846 1.00 . A A . 11 ARG CA 1 1 7 1836 1 1 11 ARG CB C -1.507 7.254 -2.627 1.00 . A A . 11 ARG CB 1 1 7 1837 1 1 11 ARG CD C -0.752 5.174 -1.415 1.00 . A A . 11 ARG CD 1 1 7 1838 1 1 11 ARG CG C -1.189 5.768 -2.744 1.00 . A A . 11 ARG CG 1 1 7 1839 1 1 11 ARG CZ C 1.068 5.442 0.217 1.00 . A A . 11 ARG CZ 1 1 7 1840 1 1 11 ARG H H -1.766 6.909 -0.117 1.00 . A A . 11 ARG H 1 1 7 1841 1 1 11 ARG HA H -2.986 8.624 -1.906 1.00 . A A . 11 ARG HA 1 1 7 1842 1 1 11 ARG HB2 H -1.603 7.656 -3.625 1.00 . A A . 11 ARG HB2 1 1 7 1843 1 1 11 ARG HB3 H -0.677 7.740 -2.134 1.00 . A A . 11 ARG HB3 1 1 7 1844 1 1 11 ARG HD2 H -1.540 5.325 -0.693 1.00 . A A . 11 ARG HD2 1 1 7 1845 1 1 11 ARG HD3 H -0.583 4.115 -1.547 1.00 . A A . 11 ARG HD3 1 1 7 1846 1 1 11 ARG HE H 0.871 6.507 -1.458 1.00 . A A . 11 ARG HE 1 1 7 1847 1 1 11 ARG HG2 H -2.070 5.248 -3.085 1.00 . A A . 11 ARG HG2 1 1 7 1848 1 1 11 ARG HG3 H -0.392 5.639 -3.464 1.00 . A A . 11 ARG HG3 1 1 7 1849 1 1 11 ARG HH11 H -0.286 4.016 0.688 1.00 . A A . 11 ARG HH11 1 1 7 1850 1 1 11 ARG HH12 H 1.007 4.218 1.825 1.00 . A A . 11 ARG HH12 1 1 7 1851 1 1 11 ARG HH21 H 2.570 6.782 0.035 1.00 . A A . 11 ARG HH21 1 1 7 1852 1 1 11 ARG HH22 H 2.627 5.793 1.456 1.00 . A A . 11 ARG HH22 1 1 7 1853 1 1 11 ARG N N -2.637 7.221 -0.434 1.00 . A A . 11 ARG N 1 1 7 1854 1 1 11 ARG NE N 0.473 5.793 -0.918 1.00 . A A . 11 ARG NE 1 1 7 1855 1 1 11 ARG NH1 N 0.554 4.480 0.972 1.00 . A A . 11 ARG NH1 1 1 7 1856 1 1 11 ARG NH2 N 2.181 6.056 0.600 1.00 . A A . 11 ARG NH2 1 1 7 1857 1 1 11 ARG O O -4.230 5.663 -2.146 1.00 . A A . 11 ARG O 1 1 7 1858 1 1 12 SER C C -5.374 5.732 -4.936 1.00 . A A . 12 SER C 1 1 7 1859 1 1 12 SER CA C -5.808 6.908 -4.068 1.00 . A A . 12 SER CA 1 1 7 1860 1 1 12 SER CB C -6.509 7.962 -4.928 1.00 . A A . 12 SER CB 1 1 7 1861 1 1 12 SER H H -4.396 8.412 -3.603 1.00 . A A . 12 SER H 1 1 7 1862 1 1 12 SER HA H -6.495 6.551 -3.317 1.00 . A A . 12 SER HA 1 1 7 1863 1 1 12 SER HB2 H -6.856 8.766 -4.296 1.00 . A A . 12 SER HB2 1 1 7 1864 1 1 12 SER HB3 H -5.813 8.350 -5.656 1.00 . A A . 12 SER HB3 1 1 7 1865 1 1 12 SER HG H -7.417 6.509 -5.880 1.00 . A A . 12 SER HG 1 1 7 1866 1 1 12 SER N N -4.663 7.495 -3.383 1.00 . A A . 12 SER N 1 1 7 1867 1 1 12 SER O O -6.051 4.705 -4.992 1.00 . A A . 12 SER O 1 1 7 1868 1 1 12 SER OG O -7.621 7.407 -5.609 1.00 . A A . 12 SER OG 1 1 7 1869 1 1 13 LYS C C -3.363 3.595 -5.683 1.00 . A A . 13 LYS C 1 1 7 1870 1 1 13 LYS CA C -3.714 4.846 -6.483 1.00 . A A . 13 LYS CA 1 1 7 1871 1 1 13 LYS CB C -2.483 5.342 -7.248 1.00 . A A . 13 LYS CB 1 1 7 1872 1 1 13 LYS CD C -3.323 7.663 -7.785 1.00 . A A . 13 LYS CD 1 1 7 1873 1 1 13 LYS CE C -3.655 8.649 -8.894 1.00 . A A . 13 LYS CE 1 1 7 1874 1 1 13 LYS CG C -2.798 6.351 -8.347 1.00 . A A . 13 LYS CG 1 1 7 1875 1 1 13 LYS H H -3.750 6.738 -5.525 1.00 . A A . 13 LYS H 1 1 7 1876 1 1 13 LYS HA H -4.487 4.593 -7.194 1.00 . A A . 13 LYS HA 1 1 7 1877 1 1 13 LYS HB2 H -1.804 5.808 -6.549 1.00 . A A . 13 LYS HB2 1 1 7 1878 1 1 13 LYS HB3 H -1.990 4.494 -7.701 1.00 . A A . 13 LYS HB3 1 1 7 1879 1 1 13 LYS HD2 H -4.216 7.468 -7.212 1.00 . A A . 13 LYS HD2 1 1 7 1880 1 1 13 LYS HD3 H -2.568 8.096 -7.144 1.00 . A A . 13 LYS HD3 1 1 7 1881 1 1 13 LYS HE2 H -2.762 8.835 -9.473 1.00 . A A . 13 LYS HE2 1 1 7 1882 1 1 13 LYS HE3 H -4.412 8.214 -9.529 1.00 . A A . 13 LYS HE3 1 1 7 1883 1 1 13 LYS HG2 H -1.898 6.548 -8.909 1.00 . A A . 13 LYS HG2 1 1 7 1884 1 1 13 LYS HG3 H -3.545 5.928 -9.004 1.00 . A A . 13 LYS HG3 1 1 7 1885 1 1 13 LYS HZ1 H -5.019 10.231 -8.865 1.00 . A A . 13 LYS HZ1 1 1 7 1886 1 1 13 LYS HZ2 H -3.438 10.684 -8.469 1.00 . A A . 13 LYS HZ2 1 1 7 1887 1 1 13 LYS HZ3 H -4.384 9.846 -7.345 1.00 . A A . 13 LYS HZ3 1 1 7 1888 1 1 13 LYS N N -4.242 5.893 -5.613 1.00 . A A . 13 LYS N 1 1 7 1889 1 1 13 LYS NZ N -4.159 9.943 -8.356 1.00 . A A . 13 LYS NZ 1 1 7 1890 1 1 13 LYS O O -2.705 3.671 -4.645 1.00 . A A . 13 LYS O 1 1 7 1891 1 1 14 CYS C C -2.089 0.760 -5.651 1.00 . A A . 14 CYS C 1 1 7 1892 1 1 14 CYS CA C -3.554 1.168 -5.517 1.00 . A A . 14 CYS CA 1 1 7 1893 1 1 14 CYS CB C -4.466 0.087 -6.104 1.00 . A A . 14 CYS CB 1 1 7 1894 1 1 14 CYS H H -4.331 2.454 -7.008 1.00 . A A . 14 CYS H 1 1 7 1895 1 1 14 CYS HA H -3.786 1.287 -4.470 1.00 . A A . 14 CYS HA 1 1 7 1896 1 1 14 CYS HB2 H -4.270 -0.005 -7.162 1.00 . A A . 14 CYS HB2 1 1 7 1897 1 1 14 CYS HB3 H -4.255 -0.855 -5.620 1.00 . A A . 14 CYS HB3 1 1 7 1898 1 1 14 CYS N N -3.810 2.444 -6.177 1.00 . A A . 14 CYS N 1 1 7 1899 1 1 14 CYS O O -1.496 0.888 -6.722 1.00 . A A . 14 CYS O 1 1 7 1900 1 1 14 CYS SG S -6.244 0.437 -5.894 1.00 . A A . 14 CYS SG 1 1 7 1901 1 1 15 GLY C C 0.311 -0.804 -3.282 1.00 . A A . 15 GLY C 1 1 7 1902 1 1 15 GLY CA C -0.120 -0.153 -4.580 1.00 . A A . 15 GLY CA 1 1 7 1903 1 1 15 GLY H H -2.029 0.182 -3.725 1.00 . A A . 15 GLY H 1 1 7 1904 1 1 15 GLY HA2 H 0.019 -0.859 -5.386 1.00 . A A . 15 GLY HA2 1 1 7 1905 1 1 15 GLY HA3 H 0.503 0.711 -4.762 1.00 . A A . 15 GLY HA3 1 1 7 1906 1 1 15 GLY N N -1.509 0.265 -4.556 1.00 . A A . 15 GLY N 1 1 7 1907 1 1 15 GLY O O 0.097 -0.252 -2.203 1.00 . A A . 15 GLY O 1 1 7 1908 1 1 16 MET C C 2.315 -1.866 -1.369 1.00 . A A . 16 MET C 1 1 7 1909 1 1 16 MET CA C 1.382 -2.722 -2.223 1.00 . A A . 16 MET CA 1 1 7 1910 1 1 16 MET CB C 2.095 -4.000 -2.671 1.00 . A A . 16 MET CB 1 1 7 1911 1 1 16 MET CE C 2.289 -7.261 -2.717 1.00 . A A . 16 MET CE 1 1 7 1912 1 1 16 MET CG C 1.264 -4.849 -3.622 1.00 . A A . 16 MET CG 1 1 7 1913 1 1 16 MET H H 1.057 -2.364 -4.282 1.00 . A A . 16 MET H 1 1 7 1914 1 1 16 MET HA H 0.518 -2.989 -1.634 1.00 . A A . 16 MET HA 1 1 7 1915 1 1 16 MET HB2 H 3.015 -3.732 -3.170 1.00 . A A . 16 MET HB2 1 1 7 1916 1 1 16 MET HB3 H 2.326 -4.596 -1.800 1.00 . A A . 16 MET HB3 1 1 7 1917 1 1 16 MET HE1 H 1.668 -6.821 -1.950 1.00 . A A . 16 MET HE1 1 1 7 1918 1 1 16 MET HE2 H 3.319 -7.264 -2.390 1.00 . A A . 16 MET HE2 1 1 7 1919 1 1 16 MET HE3 H 1.967 -8.275 -2.903 1.00 . A A . 16 MET HE3 1 1 7 1920 1 1 16 MET HG2 H 0.374 -5.176 -3.105 1.00 . A A . 16 MET HG2 1 1 7 1921 1 1 16 MET HG3 H 0.982 -4.242 -4.470 1.00 . A A . 16 MET HG3 1 1 7 1922 1 1 16 MET N N 0.919 -1.982 -3.391 1.00 . A A . 16 MET N 1 1 7 1923 1 1 16 MET O O 3.260 -1.263 -1.881 1.00 . A A . 16 MET O 1 1 7 1924 1 1 16 MET SD S 2.144 -6.305 -4.222 1.00 . A A . 16 MET SD 1 1 7 1925 1 1 17 CYS C C 3.779 -1.943 1.660 1.00 . A A . 17 CYS C 1 1 7 1926 1 1 17 CYS CA C 2.858 -1.037 0.857 1.00 . A A . 17 CYS CA 1 1 7 1927 1 1 17 CYS CB C 1.972 -0.210 1.794 1.00 . A A . 17 CYS CB 1 1 7 1928 1 1 17 CYS H H 1.280 -2.323 0.285 1.00 . A A . 17 CYS H 1 1 7 1929 1 1 17 CYS HA H 3.469 -0.369 0.270 1.00 . A A . 17 CYS HA 1 1 7 1930 1 1 17 CYS HB2 H 1.244 -0.859 2.252 1.00 . A A . 17 CYS HB2 1 1 7 1931 1 1 17 CYS HB3 H 2.589 0.230 2.564 1.00 . A A . 17 CYS HB3 1 1 7 1932 1 1 17 CYS N N 2.043 -1.817 -0.066 1.00 . A A . 17 CYS N 1 1 7 1933 1 1 17 CYS O O 3.494 -2.287 2.808 1.00 . A A . 17 CYS O 1 1 7 1934 1 1 17 CYS SG S 1.065 1.142 0.972 1.00 . A A . 17 CYS SG 1 1 7 1935 1 1 18 CYS C C 6.440 -2.564 2.926 1.00 . A A . 18 CYS C 1 1 7 1936 1 1 18 CYS CA C 5.861 -3.200 1.669 1.00 . A A . 18 CYS CA 1 1 7 1937 1 1 18 CYS CB C 6.976 -3.536 0.679 1.00 . A A . 18 CYS CB 1 1 7 1938 1 1 18 CYS H H 5.041 -2.017 0.124 1.00 . A A . 18 CYS H 1 1 7 1939 1 1 18 CYS HA H 5.356 -4.114 1.946 1.00 . A A . 18 CYS HA 1 1 7 1940 1 1 18 CYS HB2 H 7.457 -2.621 0.365 1.00 . A A . 18 CYS HB2 1 1 7 1941 1 1 18 CYS HB3 H 7.702 -4.170 1.166 1.00 . A A . 18 CYS HB3 1 1 7 1942 1 1 18 CYS N N 4.883 -2.328 1.038 1.00 . A A . 18 CYS N 1 1 7 1943 1 1 18 CYS O O 6.786 -1.381 2.937 1.00 . A A . 18 CYS O 1 1 7 1944 1 1 18 CYS SG S 6.393 -4.401 -0.813 1.00 . A A . 18 CYS SG 1 1 7 1945 1 1 19 LYS C C 8.396 -2.191 5.102 1.00 . A A . 19 LYS C 1 1 7 1946 1 1 19 LYS CA C 7.052 -2.897 5.267 1.00 . A A . 19 LYS CA 1 1 7 1947 1 1 19 LYS CB C 7.193 -4.068 6.252 1.00 . A A . 19 LYS CB 1 1 7 1948 1 1 19 LYS CD C 8.042 -5.913 4.724 1.00 . A A . 19 LYS CD 1 1 7 1949 1 1 19 LYS CE C 8.655 -5.334 3.458 1.00 . A A . 19 LYS CE 1 1 7 1950 1 1 19 LYS CG C 8.327 -5.045 5.944 1.00 . A A . 19 LYS CG 1 1 7 1951 1 1 19 LYS H H 6.221 -4.286 3.902 1.00 . A A . 19 LYS H 1 1 7 1952 1 1 19 LYS HA H 6.343 -2.191 5.670 1.00 . A A . 19 LYS HA 1 1 7 1953 1 1 19 LYS HB2 H 7.360 -3.666 7.240 1.00 . A A . 19 LYS HB2 1 1 7 1954 1 1 19 LYS HB3 H 6.266 -4.622 6.258 1.00 . A A . 19 LYS HB3 1 1 7 1955 1 1 19 LYS HD2 H 8.456 -6.896 4.892 1.00 . A A . 19 LYS HD2 1 1 7 1956 1 1 19 LYS HD3 H 6.973 -5.993 4.594 1.00 . A A . 19 LYS HD3 1 1 7 1957 1 1 19 LYS HE2 H 8.376 -5.956 2.620 1.00 . A A . 19 LYS HE2 1 1 7 1958 1 1 19 LYS HE3 H 8.271 -4.336 3.310 1.00 . A A . 19 LYS HE3 1 1 7 1959 1 1 19 LYS HG2 H 9.229 -4.482 5.762 1.00 . A A . 19 LYS HG2 1 1 7 1960 1 1 19 LYS HG3 H 8.473 -5.686 6.802 1.00 . A A . 19 LYS HG3 1 1 7 1961 1 1 19 LYS HZ1 H 10.432 -4.461 4.123 1.00 . A A . 19 LYS HZ1 1 1 7 1962 1 1 19 LYS HZ2 H 10.549 -5.166 2.591 1.00 . A A . 19 LYS HZ2 1 1 7 1963 1 1 19 LYS HZ3 H 10.511 -6.144 3.970 1.00 . A A . 19 LYS HZ3 1 1 7 1964 1 1 19 LYS N N 6.529 -3.361 3.985 1.00 . A A . 19 LYS N 1 1 7 1965 1 1 19 LYS NZ N 10.141 -5.273 3.541 1.00 . A A . 19 LYS NZ 1 1 7 1966 1 1 19 LYS O O 9.238 -2.605 4.305 1.00 . A A . 19 LYS O 1 1 7 1967 1 1 20 THR C C 11.021 -1.193 6.223 1.00 . A A . 20 THR C 1 1 7 1968 1 1 20 THR CA C 9.824 -0.346 5.802 1.00 . A A . 20 THR CA 1 1 7 1969 1 1 20 THR CB C 9.754 0.903 6.702 1.00 . A A . 20 THR CB 1 1 7 1970 1 1 20 THR CG2 C 8.642 1.835 6.245 1.00 . A A . 20 THR CG2 1 1 7 1971 1 1 20 THR H H 7.878 -0.832 6.476 1.00 . A A . 20 THR H 1 1 7 1972 1 1 20 THR HA H 9.967 -0.020 4.782 1.00 . A A . 20 THR HA 1 1 7 1973 1 1 20 THR HB H 10.695 1.430 6.636 1.00 . A A . 20 THR HB 1 1 7 1974 1 1 20 THR HG1 H 9.203 -0.386 8.090 1.00 . A A . 20 THR HG1 1 1 7 1975 1 1 20 THR HG21 H 7.717 1.283 6.168 1.00 . A A . 20 THR HG21 1 1 7 1976 1 1 20 THR HG22 H 8.894 2.249 5.279 1.00 . A A . 20 THR HG22 1 1 7 1977 1 1 20 THR HG23 H 8.525 2.635 6.961 1.00 . A A . 20 THR HG23 1 1 7 1978 1 1 20 THR N N 8.587 -1.115 5.861 1.00 . A A . 20 THR N 1 1 7 1979 1 1 20 THR O O 12.123 -0.970 5.678 1.00 . A A . 20 THR O 1 1 7 1980 1 1 20 THR OXT O 10.846 -2.072 7.092 1.00 . A A . 20 THR OXT 1 1 7 1981 1 1 20 THR OG1 O 9.529 0.516 8.063 1.00 . A A . 20 THR OG1 1 1 8 1982 1 1 1 ILE C C 3.141 -8.632 2.441 1.00 . A A . 1 ILE C 1 1 8 1983 1 1 1 ILE CA C 3.560 -10.070 2.149 1.00 . A A . 1 ILE CA 1 1 8 1984 1 1 1 ILE CB C 2.465 -10.780 1.320 1.00 . A A . 1 ILE CB 1 1 8 1985 1 1 1 ILE CD1 C 0.327 -9.935 2.449 1.00 . A A . 1 ILE CD1 1 1 8 1986 1 1 1 ILE CG1 C 1.236 -11.116 2.178 1.00 . A A . 1 ILE CG1 1 1 8 1987 1 1 1 ILE CG2 C 3.025 -12.043 0.684 1.00 . A A . 1 ILE CG2 1 1 8 1988 1 1 1 ILE H1 H 2.988 -10.972 3.941 1.00 . A A . 1 ILE H1 1 1 8 1989 1 1 1 ILE H2 H 4.524 -10.265 3.989 1.00 . A A . 1 ILE H2 1 1 8 1990 1 1 1 ILE H3 H 4.293 -11.730 3.176 1.00 . A A . 1 ILE H3 1 1 8 1991 1 1 1 ILE HA H 4.461 -10.042 1.554 1.00 . A A . 1 ILE HA 1 1 8 1992 1 1 1 ILE HB H 2.166 -10.114 0.525 1.00 . A A . 1 ILE HB 1 1 8 1993 1 1 1 ILE HD11 H -0.633 -10.106 1.984 1.00 . A A . 1 ILE HD11 1 1 8 1994 1 1 1 ILE HD12 H 0.770 -9.040 2.041 1.00 . A A . 1 ILE HD12 1 1 8 1995 1 1 1 ILE HD13 H 0.196 -9.819 3.515 1.00 . A A . 1 ILE HD13 1 1 8 1996 1 1 1 ILE HG12 H 0.652 -11.870 1.674 1.00 . A A . 1 ILE HG12 1 1 8 1997 1 1 1 ILE HG13 H 1.567 -11.505 3.130 1.00 . A A . 1 ILE HG13 1 1 8 1998 1 1 1 ILE HG21 H 2.308 -12.442 -0.017 1.00 . A A . 1 ILE HG21 1 1 8 1999 1 1 1 ILE HG22 H 3.224 -12.776 1.452 1.00 . A A . 1 ILE HG22 1 1 8 2000 1 1 1 ILE HG23 H 3.943 -11.808 0.165 1.00 . A A . 1 ILE HG23 1 1 8 2001 1 1 1 ILE N N 3.862 -10.811 3.401 1.00 . A A . 1 ILE N 1 1 8 2002 1 1 1 ILE O O 2.492 -8.352 3.450 1.00 . A A . 1 ILE O 1 1 8 2003 1 1 2 CYS C C 1.686 -6.112 1.705 1.00 . A A . 2 CYS C 1 1 8 2004 1 1 2 CYS CA C 3.201 -6.309 1.709 1.00 . A A . 2 CYS CA 1 1 8 2005 1 1 2 CYS CB C 3.861 -5.495 0.594 1.00 . A A . 2 CYS CB 1 1 8 2006 1 1 2 CYS H H 4.050 -8.009 0.775 1.00 . A A . 2 CYS H 1 1 8 2007 1 1 2 CYS HA H 3.591 -5.982 2.660 1.00 . A A . 2 CYS HA 1 1 8 2008 1 1 2 CYS HB2 H 3.390 -5.734 -0.346 1.00 . A A . 2 CYS HB2 1 1 8 2009 1 1 2 CYS HB3 H 3.732 -4.443 0.801 1.00 . A A . 2 CYS HB3 1 1 8 2010 1 1 2 CYS N N 3.528 -7.722 1.554 1.00 . A A . 2 CYS N 1 1 8 2011 1 1 2 CYS O O 0.971 -6.712 0.899 1.00 . A A . 2 CYS O 1 1 8 2012 1 1 2 CYS SG S 5.650 -5.812 0.418 1.00 . A A . 2 CYS SG 1 1 8 2013 1 1 3 ILE C C -0.728 -4.148 1.572 1.00 . A A . 3 ILE C 1 1 8 2014 1 1 3 ILE CA C -0.236 -5.035 2.704 1.00 . A A . 3 ILE CA 1 1 8 2015 1 1 3 ILE CB C -0.633 -4.422 4.053 1.00 . A A . 3 ILE CB 1 1 8 2016 1 1 3 ILE CD1 C -0.047 -2.536 5.658 1.00 . A A . 3 ILE CD1 1 1 8 2017 1 1 3 ILE CG1 C 0.407 -3.398 4.501 1.00 . A A . 3 ILE CG1 1 1 8 2018 1 1 3 ILE CG2 C -0.799 -5.513 5.101 1.00 . A A . 3 ILE CG2 1 1 8 2019 1 1 3 ILE H H 1.801 -4.818 3.234 1.00 . A A . 3 ILE H 1 1 8 2020 1 1 3 ILE HA H -0.732 -5.990 2.622 1.00 . A A . 3 ILE HA 1 1 8 2021 1 1 3 ILE HB H -1.583 -3.933 3.924 1.00 . A A . 3 ILE HB 1 1 8 2022 1 1 3 ILE HD11 H -0.654 -1.724 5.287 1.00 . A A . 3 ILE HD11 1 1 8 2023 1 1 3 ILE HD12 H 0.816 -2.137 6.169 1.00 . A A . 3 ILE HD12 1 1 8 2024 1 1 3 ILE HD13 H -0.628 -3.133 6.347 1.00 . A A . 3 ILE HD13 1 1 8 2025 1 1 3 ILE HG12 H 1.299 -3.922 4.812 1.00 . A A . 3 ILE HG12 1 1 8 2026 1 1 3 ILE HG13 H 0.648 -2.756 3.672 1.00 . A A . 3 ILE HG13 1 1 8 2027 1 1 3 ILE HG21 H -1.415 -5.146 5.908 1.00 . A A . 3 ILE HG21 1 1 8 2028 1 1 3 ILE HG22 H 0.171 -5.790 5.487 1.00 . A A . 3 ILE HG22 1 1 8 2029 1 1 3 ILE HG23 H -1.268 -6.375 4.653 1.00 . A A . 3 ILE HG23 1 1 8 2030 1 1 3 ILE N N 1.193 -5.278 2.614 1.00 . A A . 3 ILE N 1 1 8 2031 1 1 3 ILE O O -0.666 -2.922 1.648 1.00 . A A . 3 ILE O 1 1 8 2032 1 1 4 PHE C C -2.741 -3.020 -0.222 1.00 . A A . 4 PHE C 1 1 8 2033 1 1 4 PHE CA C -1.745 -4.100 -0.648 1.00 . A A . 4 PHE CA 1 1 8 2034 1 1 4 PHE CB C -2.425 -5.116 -1.571 1.00 . A A . 4 PHE CB 1 1 8 2035 1 1 4 PHE CD1 C -1.764 -3.879 -3.657 1.00 . A A . 4 PHE CD1 1 1 8 2036 1 1 4 PHE CD2 C -3.921 -4.892 -3.570 1.00 . A A . 4 PHE CD2 1 1 8 2037 1 1 4 PHE CE1 C -2.021 -3.435 -4.940 1.00 . A A . 4 PHE CE1 1 1 8 2038 1 1 4 PHE CE2 C -4.185 -4.448 -4.852 1.00 . A A . 4 PHE CE2 1 1 8 2039 1 1 4 PHE CG C -2.710 -4.613 -2.959 1.00 . A A . 4 PHE CG 1 1 8 2040 1 1 4 PHE CZ C -3.233 -3.718 -5.536 1.00 . A A . 4 PHE CZ 1 1 8 2041 1 1 4 PHE H H -1.234 -5.776 0.544 1.00 . A A . 4 PHE H 1 1 8 2042 1 1 4 PHE HA H -0.919 -3.640 -1.167 1.00 . A A . 4 PHE HA 1 1 8 2043 1 1 4 PHE HB2 H -1.791 -5.985 -1.663 1.00 . A A . 4 PHE HB2 1 1 8 2044 1 1 4 PHE HB3 H -3.365 -5.414 -1.128 1.00 . A A . 4 PHE HB3 1 1 8 2045 1 1 4 PHE HD1 H -0.815 -3.656 -3.190 1.00 . A A . 4 PHE HD1 1 1 8 2046 1 1 4 PHE HD2 H -4.666 -5.463 -3.035 1.00 . A A . 4 PHE HD2 1 1 8 2047 1 1 4 PHE HE1 H -1.276 -2.864 -5.473 1.00 . A A . 4 PHE HE1 1 1 8 2048 1 1 4 PHE HE2 H -5.134 -4.671 -5.318 1.00 . A A . 4 PHE HE2 1 1 8 2049 1 1 4 PHE HZ H -3.436 -3.372 -6.538 1.00 . A A . 4 PHE HZ 1 1 8 2050 1 1 4 PHE N N -1.222 -4.796 0.525 1.00 . A A . 4 PHE N 1 1 8 2051 1 1 4 PHE O O -3.880 -3.319 0.135 1.00 . A A . 4 PHE O 1 1 8 2052 1 1 5 CYS C C -3.916 -0.049 -0.997 1.00 . A A . 5 CYS C 1 1 8 2053 1 1 5 CYS CA C -3.128 -0.641 0.167 1.00 . A A . 5 CYS CA 1 1 8 2054 1 1 5 CYS CB C -2.263 0.456 0.791 1.00 . A A . 5 CYS CB 1 1 8 2055 1 1 5 CYS H H -1.368 -1.597 -0.519 1.00 . A A . 5 CYS H 1 1 8 2056 1 1 5 CYS HA H -3.824 -0.999 0.910 1.00 . A A . 5 CYS HA 1 1 8 2057 1 1 5 CYS HB2 H -1.518 0.763 0.074 1.00 . A A . 5 CYS HB2 1 1 8 2058 1 1 5 CYS HB3 H -2.892 1.302 1.031 1.00 . A A . 5 CYS HB3 1 1 8 2059 1 1 5 CYS N N -2.291 -1.767 -0.241 1.00 . A A . 5 CYS N 1 1 8 2060 1 1 5 CYS O O -3.371 0.704 -1.806 1.00 . A A . 5 CYS O 1 1 8 2061 1 1 5 CYS SG S -1.392 -0.037 2.312 1.00 . A A . 5 CYS SG 1 1 8 2062 1 1 6 CYS C C -6.719 1.477 -1.646 1.00 . A A . 6 CYS C 1 1 8 2063 1 1 6 CYS CA C -6.069 0.178 -2.101 1.00 . A A . 6 CYS CA 1 1 8 2064 1 1 6 CYS CB C -7.130 -0.837 -2.521 1.00 . A A . 6 CYS CB 1 1 8 2065 1 1 6 CYS H H -5.591 -0.943 -0.370 1.00 . A A . 6 CYS H 1 1 8 2066 1 1 6 CYS HA H -5.441 0.402 -2.951 1.00 . A A . 6 CYS HA 1 1 8 2067 1 1 6 CYS HB2 H -7.373 -1.464 -1.676 1.00 . A A . 6 CYS HB2 1 1 8 2068 1 1 6 CYS HB3 H -8.017 -0.309 -2.840 1.00 . A A . 6 CYS HB3 1 1 8 2069 1 1 6 CYS N N -5.206 -0.360 -1.058 1.00 . A A . 6 CYS N 1 1 8 2070 1 1 6 CYS O O -7.945 1.598 -1.610 1.00 . A A . 6 CYS O 1 1 8 2071 1 1 6 CYS SG S -6.609 -1.926 -3.886 1.00 . A A . 6 CYS SG 1 1 8 2072 1 1 7 GLY C C -7.042 3.665 0.514 1.00 . A A . 7 GLY C 1 1 8 2073 1 1 7 GLY CA C -6.372 3.731 -0.845 1.00 . A A . 7 GLY CA 1 1 8 2074 1 1 7 GLY H H -4.918 2.276 -1.354 1.00 . A A . 7 GLY H 1 1 8 2075 1 1 7 GLY HA2 H -5.542 4.418 -0.788 1.00 . A A . 7 GLY HA2 1 1 8 2076 1 1 7 GLY HA3 H -7.084 4.106 -1.565 1.00 . A A . 7 GLY HA3 1 1 8 2077 1 1 7 GLY N N -5.882 2.442 -1.299 1.00 . A A . 7 GLY N 1 1 8 2078 1 1 7 GLY O O -8.164 4.141 0.682 1.00 . A A . 7 GLY O 1 1 8 2079 1 1 8 CYS C C -7.091 4.304 3.467 1.00 . A A . 8 CYS C 1 1 8 2080 1 1 8 CYS CA C -6.897 2.953 2.836 1.00 . A A . 8 CYS CA 1 1 8 2081 1 1 8 CYS CB C -5.937 2.180 3.761 1.00 . A A . 8 CYS CB 1 1 8 2082 1 1 8 CYS H H -5.464 2.714 1.295 1.00 . A A . 8 CYS H 1 1 8 2083 1 1 8 CYS HA H -7.841 2.436 2.786 1.00 . A A . 8 CYS HA 1 1 8 2084 1 1 8 CYS HB2 H -6.477 1.865 4.640 1.00 . A A . 8 CYS HB2 1 1 8 2085 1 1 8 CYS HB3 H -5.576 1.307 3.238 1.00 . A A . 8 CYS HB3 1 1 8 2086 1 1 8 CYS N N -6.354 3.074 1.487 1.00 . A A . 8 CYS N 1 1 8 2087 1 1 8 CYS O O -8.129 4.605 4.056 1.00 . A A . 8 CYS O 1 1 8 2088 1 1 8 CYS SG S -4.463 3.139 4.333 1.00 . A A . 8 CYS SG 1 1 8 2089 1 1 9 CYS C C -5.473 7.444 3.174 1.00 . A A . 9 CYS C 1 1 8 2090 1 1 9 CYS CA C -5.964 6.325 4.092 1.00 . A A . 9 CYS CA 1 1 8 2091 1 1 9 CYS CB C -5.030 6.095 5.271 1.00 . A A . 9 CYS CB 1 1 8 2092 1 1 9 CYS H H -5.205 4.707 3.015 1.00 . A A . 9 CYS H 1 1 8 2093 1 1 9 CYS HA H -6.947 6.564 4.462 1.00 . A A . 9 CYS HA 1 1 8 2094 1 1 9 CYS HB2 H -4.014 6.299 4.969 1.00 . A A . 9 CYS HB2 1 1 8 2095 1 1 9 CYS HB3 H -5.307 6.752 6.080 1.00 . A A . 9 CYS HB3 1 1 8 2096 1 1 9 CYS N N -6.018 5.058 3.434 1.00 . A A . 9 CYS N 1 1 8 2097 1 1 9 CYS O O -6.212 8.381 2.869 1.00 . A A . 9 CYS O 1 1 8 2098 1 1 9 CYS SG S -5.106 4.361 5.896 1.00 . A A . 9 CYS SG 1 1 8 2099 1 1 10 HIS C C -3.966 8.083 0.398 1.00 . A A . 10 HIS C 1 1 8 2100 1 1 10 HIS CA C -3.621 8.343 1.866 1.00 . A A . 10 HIS CA 1 1 8 2101 1 1 10 HIS CB C -2.104 8.386 2.069 1.00 . A A . 10 HIS CB 1 1 8 2102 1 1 10 HIS CD2 C -0.987 8.369 4.413 1.00 . A A . 10 HIS CD2 1 1 8 2103 1 1 10 HIS CE1 C -1.535 10.398 5.040 1.00 . A A . 10 HIS CE1 1 1 8 2104 1 1 10 HIS CG C -1.698 8.928 3.404 1.00 . A A . 10 HIS CG 1 1 8 2105 1 1 10 HIS H H -3.679 6.573 3.022 1.00 . A A . 10 HIS H 1 1 8 2106 1 1 10 HIS HA H -4.032 9.302 2.146 1.00 . A A . 10 HIS HA 1 1 8 2107 1 1 10 HIS HB2 H -1.707 7.386 1.982 1.00 . A A . 10 HIS HB2 1 1 8 2108 1 1 10 HIS HB3 H -1.663 9.011 1.307 1.00 . A A . 10 HIS HB3 1 1 8 2109 1 1 10 HIS HD1 H -2.542 10.858 3.319 1.00 . A A . 10 HIS HD1 1 1 8 2110 1 1 10 HIS HD2 H -0.566 7.373 4.426 1.00 . A A . 10 HIS HD2 1 1 8 2111 1 1 10 HIS HE1 H -1.636 11.302 5.622 1.00 . A A . 10 HIS HE1 1 1 8 2112 1 1 10 HIS HE2 H -0.389 9.203 6.245 1.00 . A A . 10 HIS HE2 1 1 8 2113 1 1 10 HIS N N -4.219 7.341 2.742 1.00 . A A . 10 HIS N 1 1 8 2114 1 1 10 HIS ND1 N -2.026 10.199 3.829 1.00 . A A . 10 HIS ND1 1 1 8 2115 1 1 10 HIS NE2 N -0.900 9.303 5.416 1.00 . A A . 10 HIS NE2 1 1 8 2116 1 1 10 HIS O O -5.141 8.037 0.034 1.00 . A A . 10 HIS O 1 1 8 2117 1 1 11 ARG C C -4.207 6.642 -2.121 1.00 . A A . 11 ARG C 1 1 8 2118 1 1 11 ARG CA C -3.132 7.692 -1.870 1.00 . A A . 11 ARG CA 1 1 8 2119 1 1 11 ARG CB C -1.820 7.239 -2.510 1.00 . A A . 11 ARG CB 1 1 8 2120 1 1 11 ARG CD C 0.574 7.756 -3.052 1.00 . A A . 11 ARG CD 1 1 8 2121 1 1 11 ARG CG C -0.727 8.293 -2.480 1.00 . A A . 11 ARG CG 1 1 8 2122 1 1 11 ARG CZ C 1.389 6.711 -5.126 1.00 . A A . 11 ARG CZ 1 1 8 2123 1 1 11 ARG H H -2.024 7.990 -0.093 1.00 . A A . 11 ARG H 1 1 8 2124 1 1 11 ARG HA H -3.439 8.621 -2.323 1.00 . A A . 11 ARG HA 1 1 8 2125 1 1 11 ARG HB2 H -1.460 6.366 -1.987 1.00 . A A . 11 ARG HB2 1 1 8 2126 1 1 11 ARG HB3 H -2.009 6.977 -3.542 1.00 . A A . 11 ARG HB3 1 1 8 2127 1 1 11 ARG HD2 H 1.305 8.551 -3.058 1.00 . A A . 11 ARG HD2 1 1 8 2128 1 1 11 ARG HD3 H 0.923 6.950 -2.423 1.00 . A A . 11 ARG HD3 1 1 8 2129 1 1 11 ARG HE H -0.484 7.329 -4.818 1.00 . A A . 11 ARG HE 1 1 8 2130 1 1 11 ARG HG2 H -1.044 9.143 -3.067 1.00 . A A . 11 ARG HG2 1 1 8 2131 1 1 11 ARG HG3 H -0.563 8.599 -1.458 1.00 . A A . 11 ARG HG3 1 1 8 2132 1 1 11 ARG HH11 H 2.787 6.934 -3.682 1.00 . A A . 11 ARG HH11 1 1 8 2133 1 1 11 ARG HH12 H 3.342 6.194 -5.147 1.00 . A A . 11 ARG HH12 1 1 8 2134 1 1 11 ARG HH21 H 0.237 6.350 -6.747 1.00 . A A . 11 ARG HH21 1 1 8 2135 1 1 11 ARG HH22 H 1.893 5.862 -6.889 1.00 . A A . 11 ARG HH22 1 1 8 2136 1 1 11 ARG N N -2.937 7.931 -0.441 1.00 . A A . 11 ARG N 1 1 8 2137 1 1 11 ARG NE N 0.406 7.256 -4.415 1.00 . A A . 11 ARG NE 1 1 8 2138 1 1 11 ARG NH1 N 2.606 6.604 -4.608 1.00 . A A . 11 ARG NH1 1 1 8 2139 1 1 11 ARG NH2 N 1.153 6.272 -6.355 1.00 . A A . 11 ARG NH2 1 1 8 2140 1 1 11 ARG O O -4.138 5.531 -1.599 1.00 . A A . 11 ARG O 1 1 8 2141 1 1 12 SER C C -5.806 4.952 -4.135 1.00 . A A . 12 SER C 1 1 8 2142 1 1 12 SER CA C -6.291 6.107 -3.266 1.00 . A A . 12 SER CA 1 1 8 2143 1 1 12 SER CB C -7.402 6.872 -3.986 1.00 . A A . 12 SER CB 1 1 8 2144 1 1 12 SER H H -5.185 7.909 -3.317 1.00 . A A . 12 SER H 1 1 8 2145 1 1 12 SER HA H -6.683 5.707 -2.344 1.00 . A A . 12 SER HA 1 1 8 2146 1 1 12 SER HB2 H -7.781 7.647 -3.338 1.00 . A A . 12 SER HB2 1 1 8 2147 1 1 12 SER HB3 H -7.005 7.317 -4.886 1.00 . A A . 12 SER HB3 1 1 8 2148 1 1 12 SER HG H -8.120 5.209 -4.734 1.00 . A A . 12 SER HG 1 1 8 2149 1 1 12 SER N N -5.195 7.008 -2.931 1.00 . A A . 12 SER N 1 1 8 2150 1 1 12 SER O O -6.302 3.830 -4.027 1.00 . A A . 12 SER O 1 1 8 2151 1 1 12 SER OG O -8.471 6.009 -4.336 1.00 . A A . 12 SER OG 1 1 8 2152 1 1 13 LYS C C -3.773 3.019 -5.123 1.00 . A A . 13 LYS C 1 1 8 2153 1 1 13 LYS CA C -4.289 4.225 -5.902 1.00 . A A . 13 LYS CA 1 1 8 2154 1 1 13 LYS CB C -3.158 4.824 -6.739 1.00 . A A . 13 LYS CB 1 1 8 2155 1 1 13 LYS CD C -2.410 6.616 -8.335 1.00 . A A . 13 LYS CD 1 1 8 2156 1 1 13 LYS CE C -2.826 7.846 -9.125 1.00 . A A . 13 LYS CE 1 1 8 2157 1 1 13 LYS CG C -3.577 6.041 -7.546 1.00 . A A . 13 LYS CG 1 1 8 2158 1 1 13 LYS H H -4.491 6.152 -5.044 1.00 . A A . 13 LYS H 1 1 8 2159 1 1 13 LYS HA H -5.081 3.903 -6.562 1.00 . A A . 13 LYS HA 1 1 8 2160 1 1 13 LYS HB2 H -2.353 5.115 -6.080 1.00 . A A . 13 LYS HB2 1 1 8 2161 1 1 13 LYS HB3 H -2.795 4.071 -7.424 1.00 . A A . 13 LYS HB3 1 1 8 2162 1 1 13 LYS HD2 H -1.624 6.891 -7.648 1.00 . A A . 13 LYS HD2 1 1 8 2163 1 1 13 LYS HD3 H -2.046 5.864 -9.020 1.00 . A A . 13 LYS HD3 1 1 8 2164 1 1 13 LYS HE2 H -3.175 8.600 -8.437 1.00 . A A . 13 LYS HE2 1 1 8 2165 1 1 13 LYS HE3 H -1.965 8.221 -9.661 1.00 . A A . 13 LYS HE3 1 1 8 2166 1 1 13 LYS HG2 H -4.357 5.754 -8.235 1.00 . A A . 13 LYS HG2 1 1 8 2167 1 1 13 LYS HG3 H -3.949 6.797 -6.870 1.00 . A A . 13 LYS HG3 1 1 8 2168 1 1 13 LYS HZ1 H -3.577 7.717 -11.071 1.00 . A A . 13 LYS HZ1 1 1 8 2169 1 1 13 LYS HZ2 H -4.736 8.142 -9.915 1.00 . A A . 13 LYS HZ2 1 1 8 2170 1 1 13 LYS HZ3 H -4.193 6.544 -10.019 1.00 . A A . 13 LYS HZ3 1 1 8 2171 1 1 13 LYS N N -4.839 5.237 -5.003 1.00 . A A . 13 LYS N 1 1 8 2172 1 1 13 LYS NZ N -3.909 7.541 -10.101 1.00 . A A . 13 LYS NZ 1 1 8 2173 1 1 13 LYS O O -3.030 3.164 -4.152 1.00 . A A . 13 LYS O 1 1 8 2174 1 1 14 CYS C C -2.232 0.422 -4.994 1.00 . A A . 14 CYS C 1 1 8 2175 1 1 14 CYS CA C -3.747 0.590 -4.912 1.00 . A A . 14 CYS CA 1 1 8 2176 1 1 14 CYS CB C -4.432 -0.617 -5.558 1.00 . A A . 14 CYS CB 1 1 8 2177 1 1 14 CYS H H -4.760 1.777 -6.342 1.00 . A A . 14 CYS H 1 1 8 2178 1 1 14 CYS HA H -4.035 0.643 -3.873 1.00 . A A . 14 CYS HA 1 1 8 2179 1 1 14 CYS HB2 H -4.190 -0.634 -6.610 1.00 . A A . 14 CYS HB2 1 1 8 2180 1 1 14 CYS HB3 H -4.060 -1.519 -5.096 1.00 . A A . 14 CYS HB3 1 1 8 2181 1 1 14 CYS N N -4.170 1.826 -5.561 1.00 . A A . 14 CYS N 1 1 8 2182 1 1 14 CYS O O -1.619 0.732 -6.015 1.00 . A A . 14 CYS O 1 1 8 2183 1 1 14 CYS SG S -6.248 -0.629 -5.412 1.00 . A A . 14 CYS SG 1 1 8 2184 1 1 15 GLY C C 0.252 -1.007 -2.635 1.00 . A A . 15 GLY C 1 1 8 2185 1 1 15 GLY CA C -0.201 -0.280 -3.886 1.00 . A A . 15 GLY CA 1 1 8 2186 1 1 15 GLY H H -2.180 -0.307 -3.130 1.00 . A A . 15 GLY H 1 1 8 2187 1 1 15 GLY HA2 H 0.086 -0.859 -4.750 1.00 . A A . 15 GLY HA2 1 1 8 2188 1 1 15 GLY HA3 H 0.290 0.680 -3.929 1.00 . A A . 15 GLY HA3 1 1 8 2189 1 1 15 GLY N N -1.638 -0.075 -3.914 1.00 . A A . 15 GLY N 1 1 8 2190 1 1 15 GLY O O -0.073 -0.598 -1.521 1.00 . A A . 15 GLY O 1 1 8 2191 1 1 16 MET C C 2.240 -2.016 -0.701 1.00 . A A . 16 MET C 1 1 8 2192 1 1 16 MET CA C 1.499 -2.886 -1.712 1.00 . A A . 16 MET CA 1 1 8 2193 1 1 16 MET CB C 2.433 -3.989 -2.220 1.00 . A A . 16 MET CB 1 1 8 2194 1 1 16 MET CE C 3.272 -3.794 -5.287 1.00 . A A . 16 MET CE 1 1 8 2195 1 1 16 MET CG C 1.794 -4.931 -3.229 1.00 . A A . 16 MET CG 1 1 8 2196 1 1 16 MET H H 1.219 -2.362 -3.738 1.00 . A A . 16 MET H 1 1 8 2197 1 1 16 MET HA H 0.651 -3.342 -1.223 1.00 . A A . 16 MET HA 1 1 8 2198 1 1 16 MET HB2 H 3.292 -3.529 -2.686 1.00 . A A . 16 MET HB2 1 1 8 2199 1 1 16 MET HB3 H 2.766 -4.576 -1.376 1.00 . A A . 16 MET HB3 1 1 8 2200 1 1 16 MET HE1 H 3.285 -2.988 -6.005 1.00 . A A . 16 MET HE1 1 1 8 2201 1 1 16 MET HE2 H 3.746 -4.665 -5.716 1.00 . A A . 16 MET HE2 1 1 8 2202 1 1 16 MET HE3 H 3.808 -3.494 -4.399 1.00 . A A . 16 MET HE3 1 1 8 2203 1 1 16 MET HG2 H 2.418 -5.804 -3.332 1.00 . A A . 16 MET HG2 1 1 8 2204 1 1 16 MET HG3 H 0.826 -5.225 -2.855 1.00 . A A . 16 MET HG3 1 1 8 2205 1 1 16 MET N N 1.000 -2.089 -2.825 1.00 . A A . 16 MET N 1 1 8 2206 1 1 16 MET O O 3.108 -1.224 -1.069 1.00 . A A . 16 MET O 1 1 8 2207 1 1 16 MET SD S 1.577 -4.185 -4.860 1.00 . A A . 16 MET SD 1 1 8 2208 1 1 17 CYS C C 3.553 -2.293 2.375 1.00 . A A . 17 CYS C 1 1 8 2209 1 1 17 CYS CA C 2.549 -1.420 1.637 1.00 . A A . 17 CYS CA 1 1 8 2210 1 1 17 CYS CB C 1.516 -0.859 2.616 1.00 . A A . 17 CYS CB 1 1 8 2211 1 1 17 CYS H H 1.212 -2.837 0.812 1.00 . A A . 17 CYS H 1 1 8 2212 1 1 17 CYS HA H 3.080 -0.599 1.178 1.00 . A A . 17 CYS HA 1 1 8 2213 1 1 17 CYS HB2 H 0.830 -1.644 2.891 1.00 . A A . 17 CYS HB2 1 1 8 2214 1 1 17 CYS HB3 H 2.027 -0.509 3.502 1.00 . A A . 17 CYS HB3 1 1 8 2215 1 1 17 CYS N N 1.902 -2.180 0.576 1.00 . A A . 17 CYS N 1 1 8 2216 1 1 17 CYS O O 3.217 -2.951 3.362 1.00 . A A . 17 CYS O 1 1 8 2217 1 1 17 CYS SG S 0.528 0.525 1.963 1.00 . A A . 17 CYS SG 1 1 8 2218 1 1 18 CYS C C 6.372 -2.421 3.741 1.00 . A A . 18 CYS C 1 1 8 2219 1 1 18 CYS CA C 5.845 -3.092 2.479 1.00 . A A . 18 CYS CA 1 1 8 2220 1 1 18 CYS CB C 6.979 -3.295 1.476 1.00 . A A . 18 CYS CB 1 1 8 2221 1 1 18 CYS H H 4.981 -1.759 1.088 1.00 . A A . 18 CYS H 1 1 8 2222 1 1 18 CYS HA H 5.435 -4.054 2.744 1.00 . A A . 18 CYS HA 1 1 8 2223 1 1 18 CYS HB2 H 7.440 -2.342 1.264 1.00 . A A . 18 CYS HB2 1 1 8 2224 1 1 18 CYS HB3 H 7.717 -3.961 1.905 1.00 . A A . 18 CYS HB3 1 1 8 2225 1 1 18 CYS N N 4.783 -2.300 1.880 1.00 . A A . 18 CYS N 1 1 8 2226 1 1 18 CYS O O 5.924 -1.337 4.115 1.00 . A A . 18 CYS O 1 1 8 2227 1 1 18 CYS SG S 6.436 -4.014 -0.108 1.00 . A A . 18 CYS SG 1 1 8 2228 1 1 19 LYS C C 8.457 -1.150 5.412 1.00 . A A . 19 LYS C 1 1 8 2229 1 1 19 LYS CA C 7.916 -2.565 5.617 1.00 . A A . 19 LYS CA 1 1 8 2230 1 1 19 LYS CB C 9.039 -3.499 6.076 1.00 . A A . 19 LYS CB 1 1 8 2231 1 1 19 LYS CD C 11.062 -4.815 5.367 1.00 . A A . 19 LYS CD 1 1 8 2232 1 1 19 LYS CE C 10.316 -6.113 5.105 1.00 . A A . 19 LYS CE 1 1 8 2233 1 1 19 LYS CG C 10.184 -3.608 5.081 1.00 . A A . 19 LYS CG 1 1 8 2234 1 1 19 LYS H H 7.624 -3.942 4.038 1.00 . A A . 19 LYS H 1 1 8 2235 1 1 19 LYS HA H 7.149 -2.538 6.376 1.00 . A A . 19 LYS HA 1 1 8 2236 1 1 19 LYS HB2 H 9.436 -3.134 7.012 1.00 . A A . 19 LYS HB2 1 1 8 2237 1 1 19 LYS HB3 H 8.629 -4.486 6.230 1.00 . A A . 19 LYS HB3 1 1 8 2238 1 1 19 LYS HD2 H 11.934 -4.775 4.730 1.00 . A A . 19 LYS HD2 1 1 8 2239 1 1 19 LYS HD3 H 11.369 -4.788 6.403 1.00 . A A . 19 LYS HD3 1 1 8 2240 1 1 19 LYS HE2 H 9.469 -6.166 5.771 1.00 . A A . 19 LYS HE2 1 1 8 2241 1 1 19 LYS HE3 H 9.968 -6.112 4.081 1.00 . A A . 19 LYS HE3 1 1 8 2242 1 1 19 LYS HG2 H 9.776 -3.701 4.086 1.00 . A A . 19 LYS HG2 1 1 8 2243 1 1 19 LYS HG3 H 10.786 -2.713 5.142 1.00 . A A . 19 LYS HG3 1 1 8 2244 1 1 19 LYS HZ1 H 10.679 -8.008 5.906 1.00 . A A . 19 LYS HZ1 1 1 8 2245 1 1 19 LYS HZ2 H 12.056 -7.031 5.811 1.00 . A A . 19 LYS HZ2 1 1 8 2246 1 1 19 LYS HZ3 H 11.427 -7.741 4.411 1.00 . A A . 19 LYS HZ3 1 1 8 2247 1 1 19 LYS N N 7.319 -3.081 4.391 1.00 . A A . 19 LYS N 1 1 8 2248 1 1 19 LYS NZ N 11.180 -7.307 5.324 1.00 . A A . 19 LYS NZ 1 1 8 2249 1 1 19 LYS O O 9.199 -0.888 4.465 1.00 . A A . 19 LYS O 1 1 8 2250 1 1 20 THR C C 10.017 1.258 6.499 1.00 . A A . 20 THR C 1 1 8 2251 1 1 20 THR CA C 8.521 1.144 6.225 1.00 . A A . 20 THR CA 1 1 8 2252 1 1 20 THR CB C 7.759 2.039 7.221 1.00 . A A . 20 THR CB 1 1 8 2253 1 1 20 THR CG2 C 6.271 2.055 6.904 1.00 . A A . 20 THR CG2 1 1 8 2254 1 1 20 THR H H 7.483 -0.513 7.038 1.00 . A A . 20 THR H 1 1 8 2255 1 1 20 THR HA H 8.320 1.501 5.226 1.00 . A A . 20 THR HA 1 1 8 2256 1 1 20 THR HB H 8.140 3.046 7.141 1.00 . A A . 20 THR HB 1 1 8 2257 1 1 20 THR HG1 H 8.196 2.307 9.126 1.00 . A A . 20 THR HG1 1 1 8 2258 1 1 20 THR HG21 H 5.735 2.525 7.715 1.00 . A A . 20 THR HG21 1 1 8 2259 1 1 20 THR HG22 H 5.918 1.042 6.779 1.00 . A A . 20 THR HG22 1 1 8 2260 1 1 20 THR HG23 H 6.103 2.609 5.993 1.00 . A A . 20 THR HG23 1 1 8 2261 1 1 20 THR N N 8.077 -0.243 6.307 1.00 . A A . 20 THR N 1 1 8 2262 1 1 20 THR O O 10.461 0.779 7.564 1.00 . A A . 20 THR O 1 1 8 2263 1 1 20 THR OXT O 10.732 1.823 5.645 1.00 . A A . 20 THR OXT 1 1 8 2264 1 1 20 THR OG1 O 7.962 1.568 8.559 1.00 . A A . 20 THR OG1 1 1 9 2265 1 1 1 ILE C C 3.035 -8.412 2.687 1.00 . A A . 1 ILE C 1 1 9 2266 1 1 1 ILE CA C 3.470 -9.858 2.477 1.00 . A A . 1 ILE CA 1 1 9 2267 1 1 1 ILE CB C 2.359 -10.611 1.707 1.00 . A A . 1 ILE CB 1 1 9 2268 1 1 1 ILE CD1 C 1.032 -11.325 3.782 1.00 . A A . 1 ILE CD1 1 1 9 2269 1 1 1 ILE CG1 C 1.026 -10.570 2.468 1.00 . A A . 1 ILE CG1 1 1 9 2270 1 1 1 ILE CG2 C 2.783 -12.049 1.441 1.00 . A A . 1 ILE CG2 1 1 9 2271 1 1 1 ILE H1 H 3.142 -10.170 4.512 1.00 . A A . 1 ILE H1 1 1 9 2272 1 1 1 ILE H2 H 4.764 -10.299 4.052 1.00 . A A . 1 ILE H2 1 1 9 2273 1 1 1 ILE H3 H 3.681 -11.545 3.686 1.00 . A A . 1 ILE H3 1 1 9 2274 1 1 1 ILE HA H 4.365 -9.864 1.871 1.00 . A A . 1 ILE HA 1 1 9 2275 1 1 1 ILE HB H 2.231 -10.124 0.751 1.00 . A A . 1 ILE HB 1 1 9 2276 1 1 1 ILE HD11 H 1.221 -10.637 4.593 1.00 . A A . 1 ILE HD11 1 1 9 2277 1 1 1 ILE HD12 H 1.805 -12.078 3.763 1.00 . A A . 1 ILE HD12 1 1 9 2278 1 1 1 ILE HD13 H 0.073 -11.798 3.930 1.00 . A A . 1 ILE HD13 1 1 9 2279 1 1 1 ILE HG12 H 0.776 -9.543 2.683 1.00 . A A . 1 ILE HG12 1 1 9 2280 1 1 1 ILE HG13 H 0.254 -10.998 1.845 1.00 . A A . 1 ILE HG13 1 1 9 2281 1 1 1 ILE HG21 H 2.190 -12.456 0.635 1.00 . A A . 1 ILE HG21 1 1 9 2282 1 1 1 ILE HG22 H 2.632 -12.640 2.332 1.00 . A A . 1 ILE HG22 1 1 9 2283 1 1 1 ILE HG23 H 3.828 -12.072 1.166 1.00 . A A . 1 ILE HG23 1 1 9 2284 1 1 1 ILE N N 3.786 -10.514 3.772 1.00 . A A . 1 ILE N 1 1 9 2285 1 1 1 ILE O O 2.300 -8.105 3.627 1.00 . A A . 1 ILE O 1 1 9 2286 1 1 2 CYS C C 1.643 -5.923 1.795 1.00 . A A . 2 CYS C 1 1 9 2287 1 1 2 CYS CA C 3.157 -6.110 1.896 1.00 . A A . 2 CYS CA 1 1 9 2288 1 1 2 CYS CB C 3.874 -5.335 0.789 1.00 . A A . 2 CYS CB 1 1 9 2289 1 1 2 CYS H H 4.080 -7.834 1.083 1.00 . A A . 2 CYS H 1 1 9 2290 1 1 2 CYS HA H 3.490 -5.746 2.856 1.00 . A A . 2 CYS HA 1 1 9 2291 1 1 2 CYS HB2 H 3.423 -5.578 -0.162 1.00 . A A . 2 CYS HB2 1 1 9 2292 1 1 2 CYS HB3 H 3.768 -4.277 0.973 1.00 . A A . 2 CYS HB3 1 1 9 2293 1 1 2 CYS N N 3.497 -7.527 1.809 1.00 . A A . 2 CYS N 1 1 9 2294 1 1 2 CYS O O 0.998 -6.451 0.886 1.00 . A A . 2 CYS O 1 1 9 2295 1 1 2 CYS SG S 5.657 -5.708 0.673 1.00 . A A . 2 CYS SG 1 1 9 2296 1 1 3 ILE C C -0.795 -4.034 1.610 1.00 . A A . 3 ILE C 1 1 9 2297 1 1 3 ILE CA C -0.370 -4.965 2.738 1.00 . A A . 3 ILE CA 1 1 9 2298 1 1 3 ILE CB C -0.880 -4.431 4.093 1.00 . A A . 3 ILE CB 1 1 9 2299 1 1 3 ILE CD1 C -0.543 -2.617 5.855 1.00 . A A . 3 ILE CD1 1 1 9 2300 1 1 3 ILE CG1 C -0.115 -3.173 4.513 1.00 . A A . 3 ILE CG1 1 1 9 2301 1 1 3 ILE CG2 C -0.764 -5.511 5.158 1.00 . A A . 3 ILE CG2 1 1 9 2302 1 1 3 ILE H H 1.620 -4.784 3.444 1.00 . A A . 3 ILE H 1 1 9 2303 1 1 3 ILE HA H -0.835 -5.927 2.569 1.00 . A A . 3 ILE HA 1 1 9 2304 1 1 3 ILE HB H -1.926 -4.187 3.980 1.00 . A A . 3 ILE HB 1 1 9 2305 1 1 3 ILE HD11 H -1.470 -3.081 6.160 1.00 . A A . 3 ILE HD11 1 1 9 2306 1 1 3 ILE HD12 H -0.684 -1.549 5.774 1.00 . A A . 3 ILE HD12 1 1 9 2307 1 1 3 ILE HD13 H 0.222 -2.824 6.590 1.00 . A A . 3 ILE HD13 1 1 9 2308 1 1 3 ILE HG12 H 0.938 -3.401 4.569 1.00 . A A . 3 ILE HG12 1 1 9 2309 1 1 3 ILE HG13 H -0.271 -2.404 3.771 1.00 . A A . 3 ILE HG13 1 1 9 2310 1 1 3 ILE HG21 H 0.232 -5.499 5.576 1.00 . A A . 3 ILE HG21 1 1 9 2311 1 1 3 ILE HG22 H -0.956 -6.478 4.715 1.00 . A A . 3 ILE HG22 1 1 9 2312 1 1 3 ILE HG23 H -1.485 -5.324 5.941 1.00 . A A . 3 ILE HG23 1 1 9 2313 1 1 3 ILE N N 1.069 -5.183 2.737 1.00 . A A . 3 ILE N 1 1 9 2314 1 1 3 ILE O O -0.734 -2.810 1.731 1.00 . A A . 3 ILE O 1 1 9 2315 1 1 4 PHE C C -2.701 -2.838 -0.260 1.00 . A A . 4 PHE C 1 1 9 2316 1 1 4 PHE CA C -1.672 -3.895 -0.666 1.00 . A A . 4 PHE CA 1 1 9 2317 1 1 4 PHE CB C -2.273 -4.870 -1.688 1.00 . A A . 4 PHE CB 1 1 9 2318 1 1 4 PHE CD1 C -1.317 -3.482 -3.560 1.00 . A A . 4 PHE CD1 1 1 9 2319 1 1 4 PHE CD2 C -3.245 -4.815 -4.001 1.00 . A A . 4 PHE CD2 1 1 9 2320 1 1 4 PHE CE1 C -1.316 -3.044 -4.870 1.00 . A A . 4 PHE CE1 1 1 9 2321 1 1 4 PHE CE2 C -3.251 -4.378 -5.313 1.00 . A A . 4 PHE CE2 1 1 9 2322 1 1 4 PHE CG C -2.281 -4.372 -3.109 1.00 . A A . 4 PHE CG 1 1 9 2323 1 1 4 PHE CZ C -2.285 -3.491 -5.747 1.00 . A A . 4 PHE CZ 1 1 9 2324 1 1 4 PHE H H -1.237 -5.621 0.486 1.00 . A A . 4 PHE H 1 1 9 2325 1 1 4 PHE HA H -0.815 -3.405 -1.101 1.00 . A A . 4 PHE HA 1 1 9 2326 1 1 4 PHE HB2 H -1.707 -5.789 -1.668 1.00 . A A . 4 PHE HB2 1 1 9 2327 1 1 4 PHE HB3 H -3.295 -5.083 -1.407 1.00 . A A . 4 PHE HB3 1 1 9 2328 1 1 4 PHE HD1 H -0.562 -3.130 -2.874 1.00 . A A . 4 PHE HD1 1 1 9 2329 1 1 4 PHE HD2 H -4.001 -5.509 -3.662 1.00 . A A . 4 PHE HD2 1 1 9 2330 1 1 4 PHE HE1 H -0.560 -2.351 -5.208 1.00 . A A . 4 PHE HE1 1 1 9 2331 1 1 4 PHE HE2 H -4.010 -4.730 -5.997 1.00 . A A . 4 PHE HE2 1 1 9 2332 1 1 4 PHE HZ H -2.286 -3.149 -6.773 1.00 . A A . 4 PHE HZ 1 1 9 2333 1 1 4 PHE N N -1.225 -4.640 0.509 1.00 . A A . 4 PHE N 1 1 9 2334 1 1 4 PHE O O -3.877 -3.144 -0.060 1.00 . A A . 4 PHE O 1 1 9 2335 1 1 5 CYS C C -3.870 0.100 -0.883 1.00 . A A . 5 CYS C 1 1 9 2336 1 1 5 CYS CA C -3.098 -0.488 0.292 1.00 . A A . 5 CYS CA 1 1 9 2337 1 1 5 CYS CB C -2.263 0.614 0.944 1.00 . A A . 5 CYS CB 1 1 9 2338 1 1 5 CYS H H -1.288 -1.424 -0.278 1.00 . A A . 5 CYS H 1 1 9 2339 1 1 5 CYS HA H -3.802 -0.866 1.017 1.00 . A A . 5 CYS HA 1 1 9 2340 1 1 5 CYS HB2 H -1.486 0.916 0.260 1.00 . A A . 5 CYS HB2 1 1 9 2341 1 1 5 CYS HB3 H -2.900 1.462 1.152 1.00 . A A . 5 CYS HB3 1 1 9 2342 1 1 5 CYS N N -2.237 -1.597 -0.118 1.00 . A A . 5 CYS N 1 1 9 2343 1 1 5 CYS O O -3.356 0.952 -1.605 1.00 . A A . 5 CYS O 1 1 9 2344 1 1 5 CYS SG S -1.457 0.135 2.503 1.00 . A A . 5 CYS SG 1 1 9 2345 1 1 6 CYS C C -6.681 1.441 -1.715 1.00 . A A . 6 CYS C 1 1 9 2346 1 1 6 CYS CA C -5.951 0.171 -2.135 1.00 . A A . 6 CYS CA 1 1 9 2347 1 1 6 CYS CB C -6.941 -0.895 -2.602 1.00 . A A . 6 CYS CB 1 1 9 2348 1 1 6 CYS H H -5.476 -1.005 -0.440 1.00 . A A . 6 CYS H 1 1 9 2349 1 1 6 CYS HA H -5.298 0.420 -2.955 1.00 . A A . 6 CYS HA 1 1 9 2350 1 1 6 CYS HB2 H -7.379 -1.374 -1.739 1.00 . A A . 6 CYS HB2 1 1 9 2351 1 1 6 CYS HB3 H -7.722 -0.423 -3.181 1.00 . A A . 6 CYS HB3 1 1 9 2352 1 1 6 CYS N N -5.111 -0.337 -1.056 1.00 . A A . 6 CYS N 1 1 9 2353 1 1 6 CYS O O -7.910 1.475 -1.639 1.00 . A A . 6 CYS O 1 1 9 2354 1 1 6 CYS SG S -6.190 -2.196 -3.637 1.00 . A A . 6 CYS SG 1 1 9 2355 1 1 7 GLY C C -7.220 3.674 0.275 1.00 . A A . 7 GLY C 1 1 9 2356 1 1 7 GLY CA C -6.480 3.759 -1.043 1.00 . A A . 7 GLY CA 1 1 9 2357 1 1 7 GLY H H -4.935 2.395 -1.533 1.00 . A A . 7 GLY H 1 1 9 2358 1 1 7 GLY HA2 H -5.687 4.484 -0.951 1.00 . A A . 7 GLY HA2 1 1 9 2359 1 1 7 GLY HA3 H -7.169 4.089 -1.809 1.00 . A A . 7 GLY HA3 1 1 9 2360 1 1 7 GLY N N -5.907 2.488 -1.449 1.00 . A A . 7 GLY N 1 1 9 2361 1 1 7 GLY O O -8.345 4.160 0.394 1.00 . A A . 7 GLY O 1 1 9 2362 1 1 8 CYS C C -7.335 4.239 3.274 1.00 . A A . 8 CYS C 1 1 9 2363 1 1 8 CYS CA C -7.209 2.910 2.583 1.00 . A A . 8 CYS CA 1 1 9 2364 1 1 8 CYS CB C -6.360 2.019 3.508 1.00 . A A . 8 CYS CB 1 1 9 2365 1 1 8 CYS H H -5.697 2.685 1.115 1.00 . A A . 8 CYS H 1 1 9 2366 1 1 8 CYS HA H -8.185 2.470 2.460 1.00 . A A . 8 CYS HA 1 1 9 2367 1 1 8 CYS HB2 H -6.970 1.697 4.339 1.00 . A A . 8 CYS HB2 1 1 9 2368 1 1 8 CYS HB3 H -6.034 1.151 2.955 1.00 . A A . 8 CYS HB3 1 1 9 2369 1 1 8 CYS N N -6.592 3.054 1.268 1.00 . A A . 8 CYS N 1 1 9 2370 1 1 8 CYS O O -8.378 4.590 3.823 1.00 . A A . 8 CYS O 1 1 9 2371 1 1 8 CYS SG S -4.854 2.830 4.210 1.00 . A A . 8 CYS SG 1 1 9 2372 1 1 9 CYS C C -5.463 7.252 3.249 1.00 . A A . 9 CYS C 1 1 9 2373 1 1 9 CYS CA C -6.096 6.128 4.068 1.00 . A A . 9 CYS CA 1 1 9 2374 1 1 9 CYS CB C -5.257 5.766 5.282 1.00 . A A . 9 CYS CB 1 1 9 2375 1 1 9 CYS H H -5.401 4.513 2.947 1.00 . A A . 9 CYS H 1 1 9 2376 1 1 9 CYS HA H -7.077 6.426 4.394 1.00 . A A . 9 CYS HA 1 1 9 2377 1 1 9 CYS HB2 H -4.210 5.908 5.051 1.00 . A A . 9 CYS HB2 1 1 9 2378 1 1 9 CYS HB3 H -5.534 6.399 6.111 1.00 . A A . 9 CYS HB3 1 1 9 2379 1 1 9 CYS N N -6.208 4.905 3.338 1.00 . A A . 9 CYS N 1 1 9 2380 1 1 9 CYS O O -6.051 8.321 3.087 1.00 . A A . 9 CYS O 1 1 9 2381 1 1 9 CYS SG S -5.495 4.012 5.804 1.00 . A A . 9 CYS SG 1 1 9 2382 1 1 10 HIS C C -4.033 8.049 0.522 1.00 . A A . 10 HIS C 1 1 9 2383 1 1 10 HIS CA C -3.528 8.003 1.970 1.00 . A A . 10 HIS CA 1 1 9 2384 1 1 10 HIS CB C -2.024 7.708 2.021 1.00 . A A . 10 HIS CB 1 1 9 2385 1 1 10 HIS CD2 C -1.482 10.140 1.282 1.00 . A A . 10 HIS CD2 1 1 9 2386 1 1 10 HIS CE1 C 0.702 9.973 1.209 1.00 . A A . 10 HIS CE1 1 1 9 2387 1 1 10 HIS CG C -1.160 8.871 1.630 1.00 . A A . 10 HIS CG 1 1 9 2388 1 1 10 HIS H H -3.833 6.140 2.928 1.00 . A A . 10 HIS H 1 1 9 2389 1 1 10 HIS HA H -3.707 8.966 2.425 1.00 . A A . 10 HIS HA 1 1 9 2390 1 1 10 HIS HB2 H -1.755 7.422 3.027 1.00 . A A . 10 HIS HB2 1 1 9 2391 1 1 10 HIS HB3 H -1.803 6.889 1.351 1.00 . A A . 10 HIS HB3 1 1 9 2392 1 1 10 HIS HD1 H 0.757 8.006 1.771 1.00 . A A . 10 HIS HD1 1 1 9 2393 1 1 10 HIS HD2 H -2.479 10.554 1.218 1.00 . A A . 10 HIS HD2 1 1 9 2394 1 1 10 HIS HE1 H 1.747 10.211 1.079 1.00 . A A . 10 HIS HE1 1 1 9 2395 1 1 10 HIS HE2 H -0.223 11.767 0.867 1.00 . A A . 10 HIS HE2 1 1 9 2396 1 1 10 HIS N N -4.253 7.006 2.752 1.00 . A A . 10 HIS N 1 1 9 2397 1 1 10 HIS ND1 N 0.216 8.800 1.573 1.00 . A A . 10 HIS ND1 1 1 9 2398 1 1 10 HIS NE2 N -0.307 10.803 1.025 1.00 . A A . 10 HIS NE2 1 1 9 2399 1 1 10 HIS O O -5.238 8.141 0.283 1.00 . A A . 10 HIS O 1 1 9 2400 1 1 11 ARG C C -4.492 6.988 -2.216 1.00 . A A . 11 ARG C 1 1 9 2401 1 1 11 ARG CA C -3.455 8.045 -1.857 1.00 . A A . 11 ARG CA 1 1 9 2402 1 1 11 ARG CB C -2.202 7.846 -2.712 1.00 . A A . 11 ARG CB 1 1 9 2403 1 1 11 ARG CD C 0.111 8.630 -3.304 1.00 . A A . 11 ARG CD 1 1 9 2404 1 1 11 ARG CG C -1.153 8.927 -2.514 1.00 . A A . 11 ARG CG 1 1 9 2405 1 1 11 ARG CZ C -0.577 9.522 -5.497 1.00 . A A . 11 ARG CZ 1 1 9 2406 1 1 11 ARG H H -2.164 7.933 -0.190 1.00 . A A . 11 ARG H 1 1 9 2407 1 1 11 ARG HA H -3.868 9.021 -2.065 1.00 . A A . 11 ARG HA 1 1 9 2408 1 1 11 ARG HB2 H -1.758 6.894 -2.463 1.00 . A A . 11 ARG HB2 1 1 9 2409 1 1 11 ARG HB3 H -2.489 7.838 -3.754 1.00 . A A . 11 ARG HB3 1 1 9 2410 1 1 11 ARG HD2 H 0.818 9.428 -3.140 1.00 . A A . 11 ARG HD2 1 1 9 2411 1 1 11 ARG HD3 H 0.531 7.699 -2.948 1.00 . A A . 11 ARG HD3 1 1 9 2412 1 1 11 ARG HE H -0.001 7.641 -5.156 1.00 . A A . 11 ARG HE 1 1 9 2413 1 1 11 ARG HG2 H -1.558 9.872 -2.844 1.00 . A A . 11 ARG HG2 1 1 9 2414 1 1 11 ARG HG3 H -0.907 8.986 -1.464 1.00 . A A . 11 ARG HG3 1 1 9 2415 1 1 11 ARG HH11 H -0.601 10.874 -3.994 1.00 . A A . 11 ARG HH11 1 1 9 2416 1 1 11 ARG HH12 H -1.094 11.476 -5.542 1.00 . A A . 11 ARG HH12 1 1 9 2417 1 1 11 ARG HH21 H -0.653 8.426 -7.195 1.00 . A A . 11 ARG HH21 1 1 9 2418 1 1 11 ARG HH22 H -1.123 10.085 -7.360 1.00 . A A . 11 ARG HH22 1 1 9 2419 1 1 11 ARG N N -3.108 7.997 -0.440 1.00 . A A . 11 ARG N 1 1 9 2420 1 1 11 ARG NE N -0.148 8.515 -4.739 1.00 . A A . 11 ARG NE 1 1 9 2421 1 1 11 ARG NH1 N -0.774 10.722 -4.967 1.00 . A A . 11 ARG NH1 1 1 9 2422 1 1 11 ARG NH2 N -0.804 9.329 -6.790 1.00 . A A . 11 ARG NH2 1 1 9 2423 1 1 11 ARG O O -4.424 5.852 -1.747 1.00 . A A . 11 ARG O 1 1 9 2424 1 1 12 SER C C -5.915 5.298 -4.280 1.00 . A A . 12 SER C 1 1 9 2425 1 1 12 SER CA C -6.501 6.464 -3.492 1.00 . A A . 12 SER CA 1 1 9 2426 1 1 12 SER CB C -7.528 7.209 -4.347 1.00 . A A . 12 SER CB 1 1 9 2427 1 1 12 SER H H -5.439 8.290 -3.400 1.00 . A A . 12 SER H 1 1 9 2428 1 1 12 SER HA H -6.990 6.078 -2.611 1.00 . A A . 12 SER HA 1 1 9 2429 1 1 12 SER HB2 H -7.973 8.000 -3.761 1.00 . A A . 12 SER HB2 1 1 9 2430 1 1 12 SER HB3 H -7.035 7.635 -5.209 1.00 . A A . 12 SER HB3 1 1 9 2431 1 1 12 SER HG H -9.371 6.828 -4.889 1.00 . A A . 12 SER HG 1 1 9 2432 1 1 12 SER N N -5.447 7.372 -3.058 1.00 . A A . 12 SER N 1 1 9 2433 1 1 12 SER O O -6.391 4.167 -4.177 1.00 . A A . 12 SER O 1 1 9 2434 1 1 12 SER OG O -8.553 6.337 -4.790 1.00 . A A . 12 SER OG 1 1 9 2435 1 1 13 LYS C C -3.708 3.428 -4.979 1.00 . A A . 13 LYS C 1 1 9 2436 1 1 13 LYS CA C -4.226 4.554 -5.868 1.00 . A A . 13 LYS CA 1 1 9 2437 1 1 13 LYS CB C -3.076 5.161 -6.676 1.00 . A A . 13 LYS CB 1 1 9 2438 1 1 13 LYS CD C -2.344 6.857 -8.392 1.00 . A A . 13 LYS CD 1 1 9 2439 1 1 13 LYS CE C -1.682 5.827 -9.296 1.00 . A A . 13 LYS CE 1 1 9 2440 1 1 13 LYS CG C -3.518 6.265 -7.625 1.00 . A A . 13 LYS CG 1 1 9 2441 1 1 13 LYS H H -4.546 6.503 -5.099 1.00 . A A . 13 LYS H 1 1 9 2442 1 1 13 LYS HA H -4.961 4.150 -6.550 1.00 . A A . 13 LYS HA 1 1 9 2443 1 1 13 LYS HB2 H -2.349 5.573 -5.992 1.00 . A A . 13 LYS HB2 1 1 9 2444 1 1 13 LYS HB3 H -2.609 4.380 -7.258 1.00 . A A . 13 LYS HB3 1 1 9 2445 1 1 13 LYS HD2 H -2.700 7.675 -9.000 1.00 . A A . 13 LYS HD2 1 1 9 2446 1 1 13 LYS HD3 H -1.613 7.223 -7.685 1.00 . A A . 13 LYS HD3 1 1 9 2447 1 1 13 LYS HE2 H -0.849 6.292 -9.802 1.00 . A A . 13 LYS HE2 1 1 9 2448 1 1 13 LYS HE3 H -1.322 5.012 -8.686 1.00 . A A . 13 LYS HE3 1 1 9 2449 1 1 13 LYS HG2 H -4.224 5.856 -8.332 1.00 . A A . 13 LYS HG2 1 1 9 2450 1 1 13 LYS HG3 H -3.993 7.048 -7.053 1.00 . A A . 13 LYS HG3 1 1 9 2451 1 1 13 LYS HZ1 H -3.191 6.064 -10.723 1.00 . A A . 13 LYS HZ1 1 1 9 2452 1 1 13 LYS HZ2 H -3.272 4.601 -9.876 1.00 . A A . 13 LYS HZ2 1 1 9 2453 1 1 13 LYS HZ3 H -2.101 4.818 -11.077 1.00 . A A . 13 LYS HZ3 1 1 9 2454 1 1 13 LYS N N -4.880 5.582 -5.064 1.00 . A A . 13 LYS N 1 1 9 2455 1 1 13 LYS NZ N -2.627 5.290 -10.314 1.00 . A A . 13 LYS NZ 1 1 9 2456 1 1 13 LYS O O -3.048 3.677 -3.970 1.00 . A A . 13 LYS O 1 1 9 2457 1 1 14 CYS C C -2.092 0.816 -4.676 1.00 . A A . 14 CYS C 1 1 9 2458 1 1 14 CYS CA C -3.599 1.029 -4.575 1.00 . A A . 14 CYS CA 1 1 9 2459 1 1 14 CYS CB C -4.339 -0.228 -5.038 1.00 . A A . 14 CYS CB 1 1 9 2460 1 1 14 CYS H H -4.560 2.056 -6.159 1.00 . A A . 14 CYS H 1 1 9 2461 1 1 14 CYS HA H -3.848 1.218 -3.543 1.00 . A A . 14 CYS HA 1 1 9 2462 1 1 14 CYS HB2 H -5.381 0.011 -5.191 1.00 . A A . 14 CYS HB2 1 1 9 2463 1 1 14 CYS HB3 H -3.911 -0.570 -5.968 1.00 . A A . 14 CYS HB3 1 1 9 2464 1 1 14 CYS N N -4.023 2.191 -5.351 1.00 . A A . 14 CYS N 1 1 9 2465 1 1 14 CYS O O -1.490 1.052 -5.725 1.00 . A A . 14 CYS O 1 1 9 2466 1 1 14 CYS SG S -4.255 -1.604 -3.845 1.00 . A A . 14 CYS SG 1 1 9 2467 1 1 15 GLY C C 0.365 -0.655 -2.324 1.00 . A A . 15 GLY C 1 1 9 2468 1 1 15 GLY CA C -0.060 0.124 -3.552 1.00 . A A . 15 GLY CA 1 1 9 2469 1 1 15 GLY H H -2.025 0.195 -2.773 1.00 . A A . 15 GLY H 1 1 9 2470 1 1 15 GLY HA2 H 0.216 -0.435 -4.435 1.00 . A A . 15 GLY HA2 1 1 9 2471 1 1 15 GLY HA3 H 0.456 1.073 -3.562 1.00 . A A . 15 GLY HA3 1 1 9 2472 1 1 15 GLY N N -1.491 0.367 -3.577 1.00 . A A . 15 GLY N 1 1 9 2473 1 1 15 GLY O O -0.025 -0.320 -1.205 1.00 . A A . 15 GLY O 1 1 9 2474 1 1 16 MET C C 2.298 -1.723 -0.343 1.00 . A A . 16 MET C 1 1 9 2475 1 1 16 MET CA C 1.632 -2.545 -1.443 1.00 . A A . 16 MET CA 1 1 9 2476 1 1 16 MET CB C 2.619 -3.589 -1.973 1.00 . A A . 16 MET CB 1 1 9 2477 1 1 16 MET CE C 4.532 -4.681 -4.266 1.00 . A A . 16 MET CE 1 1 9 2478 1 1 16 MET CG C 2.041 -4.480 -3.061 1.00 . A A . 16 MET CG 1 1 9 2479 1 1 16 MET H H 1.426 -1.915 -3.454 1.00 . A A . 16 MET H 1 1 9 2480 1 1 16 MET HA H 0.777 -3.055 -1.026 1.00 . A A . 16 MET HA 1 1 9 2481 1 1 16 MET HB2 H 3.483 -3.082 -2.374 1.00 . A A . 16 MET HB2 1 1 9 2482 1 1 16 MET HB3 H 2.931 -4.219 -1.152 1.00 . A A . 16 MET HB3 1 1 9 2483 1 1 16 MET HE1 H 5.459 -4.946 -3.780 1.00 . A A . 16 MET HE1 1 1 9 2484 1 1 16 MET HE2 H 4.302 -3.646 -4.064 1.00 . A A . 16 MET HE2 1 1 9 2485 1 1 16 MET HE3 H 4.632 -4.826 -5.332 1.00 . A A . 16 MET HE3 1 1 9 2486 1 1 16 MET HG2 H 1.171 -4.985 -2.669 1.00 . A A . 16 MET HG2 1 1 9 2487 1 1 16 MET HG3 H 1.749 -3.860 -3.896 1.00 . A A . 16 MET HG3 1 1 9 2488 1 1 16 MET N N 1.158 -1.701 -2.536 1.00 . A A . 16 MET N 1 1 9 2489 1 1 16 MET O O 3.134 -0.862 -0.617 1.00 . A A . 16 MET O 1 1 9 2490 1 1 16 MET SD S 3.212 -5.720 -3.643 1.00 . A A . 16 MET SD 1 1 9 2491 1 1 17 CYS C C 3.374 -2.273 2.854 1.00 . A A . 17 CYS C 1 1 9 2492 1 1 17 CYS CA C 2.505 -1.320 2.052 1.00 . A A . 17 CYS CA 1 1 9 2493 1 1 17 CYS CB C 1.412 -0.733 2.946 1.00 . A A . 17 CYS CB 1 1 9 2494 1 1 17 CYS H H 1.271 -2.722 1.060 1.00 . A A . 17 CYS H 1 1 9 2495 1 1 17 CYS HA H 3.126 -0.518 1.679 1.00 . A A . 17 CYS HA 1 1 9 2496 1 1 17 CYS HB2 H 0.701 -1.508 3.182 1.00 . A A . 17 CYS HB2 1 1 9 2497 1 1 17 CYS HB3 H 1.861 -0.377 3.861 1.00 . A A . 17 CYS HB3 1 1 9 2498 1 1 17 CYS N N 1.932 -2.011 0.905 1.00 . A A . 17 CYS N 1 1 9 2499 1 1 17 CYS O O 2.925 -2.879 3.829 1.00 . A A . 17 CYS O 1 1 9 2500 1 1 17 CYS SG S 0.486 0.650 2.211 1.00 . A A . 17 CYS SG 1 1 9 2501 1 1 18 CYS C C 5.891 -2.801 4.481 1.00 . A A . 18 CYS C 1 1 9 2502 1 1 18 CYS CA C 5.566 -3.291 3.078 1.00 . A A . 18 CYS CA 1 1 9 2503 1 1 18 CYS CB C 6.843 -3.397 2.246 1.00 . A A . 18 CYS CB 1 1 9 2504 1 1 18 CYS H H 4.904 -1.903 1.638 1.00 . A A . 18 CYS H 1 1 9 2505 1 1 18 CYS HA H 5.114 -4.268 3.148 1.00 . A A . 18 CYS HA 1 1 9 2506 1 1 18 CYS HB2 H 7.339 -2.437 2.235 1.00 . A A . 18 CYS HB2 1 1 9 2507 1 1 18 CYS HB3 H 7.499 -4.132 2.694 1.00 . A A . 18 CYS HB3 1 1 9 2508 1 1 18 CYS N N 4.617 -2.408 2.424 1.00 . A A . 18 CYS N 1 1 9 2509 1 1 18 CYS O O 5.758 -1.615 4.784 1.00 . A A . 18 CYS O 1 1 9 2510 1 1 18 CYS SG S 6.549 -3.890 0.517 1.00 . A A . 18 CYS SG 1 1 9 2511 1 1 19 LYS C C 7.214 -2.069 6.914 1.00 . A A . 19 LYS C 1 1 9 2512 1 1 19 LYS CA C 6.666 -3.480 6.707 1.00 . A A . 19 LYS CA 1 1 9 2513 1 1 19 LYS CB C 7.703 -4.511 7.149 1.00 . A A . 19 LYS CB 1 1 9 2514 1 1 19 LYS CD C 9.749 -5.815 6.481 1.00 . A A . 19 LYS CD 1 1 9 2515 1 1 19 LYS CE C 10.809 -5.990 5.406 1.00 . A A . 19 LYS CE 1 1 9 2516 1 1 19 LYS CG C 8.878 -4.606 6.192 1.00 . A A . 19 LYS CG 1 1 9 2517 1 1 19 LYS H H 6.370 -4.655 4.995 1.00 . A A . 19 LYS H 1 1 9 2518 1 1 19 LYS HA H 5.778 -3.608 7.295 1.00 . A A . 19 LYS HA 1 1 9 2519 1 1 19 LYS HB2 H 8.076 -4.236 8.125 1.00 . A A . 19 LYS HB2 1 1 9 2520 1 1 19 LYS HB3 H 7.232 -5.481 7.209 1.00 . A A . 19 LYS HB3 1 1 9 2521 1 1 19 LYS HD2 H 10.235 -5.678 7.435 1.00 . A A . 19 LYS HD2 1 1 9 2522 1 1 19 LYS HD3 H 9.128 -6.699 6.511 1.00 . A A . 19 LYS HD3 1 1 9 2523 1 1 19 LYS HE2 H 10.319 -6.044 4.443 1.00 . A A . 19 LYS HE2 1 1 9 2524 1 1 19 LYS HE3 H 11.467 -5.134 5.425 1.00 . A A . 19 LYS HE3 1 1 9 2525 1 1 19 LYS HG2 H 8.500 -4.683 5.183 1.00 . A A . 19 LYS HG2 1 1 9 2526 1 1 19 LYS HG3 H 9.477 -3.713 6.285 1.00 . A A . 19 LYS HG3 1 1 9 2527 1 1 19 LYS HZ1 H 12.129 -7.170 6.512 1.00 . A A . 19 LYS HZ1 1 1 9 2528 1 1 19 LYS HZ2 H 12.298 -7.339 4.838 1.00 . A A . 19 LYS HZ2 1 1 9 2529 1 1 19 LYS HZ3 H 10.989 -8.058 5.633 1.00 . A A . 19 LYS HZ3 1 1 9 2530 1 1 19 LYS N N 6.307 -3.740 5.320 1.00 . A A . 19 LYS N 1 1 9 2531 1 1 19 LYS NZ N 11.612 -7.226 5.611 1.00 . A A . 19 LYS NZ 1 1 9 2532 1 1 19 LYS O O 6.834 -1.381 7.863 1.00 . A A . 19 LYS O 1 1 9 2533 1 1 20 THR C C 7.640 0.774 6.038 1.00 . A A . 20 THR C 1 1 9 2534 1 1 20 THR CA C 8.704 -0.317 6.117 1.00 . A A . 20 THR CA 1 1 9 2535 1 1 20 THR CB C 9.742 -0.086 5.002 1.00 . A A . 20 THR CB 1 1 9 2536 1 1 20 THR CG2 C 10.903 -1.061 5.131 1.00 . A A . 20 THR CG2 1 1 9 2537 1 1 20 THR H H 8.369 -2.239 5.292 1.00 . A A . 20 THR H 1 1 9 2538 1 1 20 THR HA H 9.208 -0.244 7.069 1.00 . A A . 20 THR HA 1 1 9 2539 1 1 20 THR HB H 10.126 0.920 5.091 1.00 . A A . 20 THR HB 1 1 9 2540 1 1 20 THR HG1 H 8.552 0.514 3.548 1.00 . A A . 20 THR HG1 1 1 9 2541 1 1 20 THR HG21 H 10.531 -2.024 5.449 1.00 . A A . 20 THR HG21 1 1 9 2542 1 1 20 THR HG22 H 11.607 -0.688 5.860 1.00 . A A . 20 THR HG22 1 1 9 2543 1 1 20 THR HG23 H 11.395 -1.164 4.176 1.00 . A A . 20 THR HG23 1 1 9 2544 1 1 20 THR N N 8.107 -1.645 6.026 1.00 . A A . 20 THR N 1 1 9 2545 1 1 20 THR O O 7.473 1.509 7.033 1.00 . A A . 20 THR O 1 1 9 2546 1 1 20 THR OXT O 6.983 0.884 4.980 1.00 . A A . 20 THR OXT 1 1 9 2547 1 1 20 THR OG1 O 9.126 -0.237 3.718 1.00 . A A . 20 THR OG1 1 1 10 2548 1 1 1 ILE C C 3.326 -8.657 2.514 1.00 . A A . 1 ILE C 1 1 10 2549 1 1 1 ILE CA C 3.731 -10.125 2.426 1.00 . A A . 1 ILE CA 1 1 10 2550 1 1 1 ILE CB C 2.532 -10.977 1.943 1.00 . A A . 1 ILE CB 1 1 10 2551 1 1 1 ILE CD1 C 0.521 -9.888 3.089 1.00 . A A . 1 ILE CD1 1 1 10 2552 1 1 1 ILE CG1 C 1.450 -11.083 3.025 1.00 . A A . 1 ILE CG1 1 1 10 2553 1 1 1 ILE CG2 C 3.004 -12.364 1.533 1.00 . A A . 1 ILE CG2 1 1 10 2554 1 1 1 ILE H1 H 5.209 -10.240 3.891 1.00 . A A . 1 ILE H1 1 1 10 2555 1 1 1 ILE H2 H 4.301 -11.656 3.721 1.00 . A A . 1 ILE H2 1 1 10 2556 1 1 1 ILE H3 H 3.632 -10.312 4.500 1.00 . A A . 1 ILE H3 1 1 10 2557 1 1 1 ILE HA H 4.521 -10.215 1.694 1.00 . A A . 1 ILE HA 1 1 10 2558 1 1 1 ILE HB H 2.112 -10.498 1.071 1.00 . A A . 1 ILE HB 1 1 10 2559 1 1 1 ILE HD11 H -0.503 -10.230 3.129 1.00 . A A . 1 ILE HD11 1 1 10 2560 1 1 1 ILE HD12 H 0.662 -9.274 2.212 1.00 . A A . 1 ILE HD12 1 1 10 2561 1 1 1 ILE HD13 H 0.741 -9.309 3.974 1.00 . A A . 1 ILE HD13 1 1 10 2562 1 1 1 ILE HG12 H 0.846 -11.958 2.833 1.00 . A A . 1 ILE HG12 1 1 10 2563 1 1 1 ILE HG13 H 1.925 -11.185 3.989 1.00 . A A . 1 ILE HG13 1 1 10 2564 1 1 1 ILE HG21 H 2.329 -13.106 1.930 1.00 . A A . 1 ILE HG21 1 1 10 2565 1 1 1 ILE HG22 H 3.998 -12.536 1.921 1.00 . A A . 1 ILE HG22 1 1 10 2566 1 1 1 ILE HG23 H 3.022 -12.434 0.456 1.00 . A A . 1 ILE HG23 1 1 10 2567 1 1 1 ILE N N 4.255 -10.618 3.724 1.00 . A A . 1 ILE N 1 1 10 2568 1 1 1 ILE O O 2.806 -8.205 3.534 1.00 . A A . 1 ILE O 1 1 10 2569 1 1 2 CYS C C 1.740 -6.294 1.440 1.00 . A A . 2 CYS C 1 1 10 2570 1 1 2 CYS CA C 3.254 -6.494 1.400 1.00 . A A . 2 CYS CA 1 1 10 2571 1 1 2 CYS CB C 3.844 -5.861 0.140 1.00 . A A . 2 CYS CB 1 1 10 2572 1 1 2 CYS H H 4.009 -8.329 0.665 1.00 . A A . 2 CYS H 1 1 10 2573 1 1 2 CYS HA H 3.692 -6.026 2.268 1.00 . A A . 2 CYS HA 1 1 10 2574 1 1 2 CYS HB2 H 3.296 -6.211 -0.722 1.00 . A A . 2 CYS HB2 1 1 10 2575 1 1 2 CYS HB3 H 3.750 -4.787 0.209 1.00 . A A . 2 CYS HB3 1 1 10 2576 1 1 2 CYS N N 3.583 -7.914 1.442 1.00 . A A . 2 CYS N 1 1 10 2577 1 1 2 CYS O O 1.005 -6.842 0.613 1.00 . A A . 2 CYS O 1 1 10 2578 1 1 2 CYS SG S 5.606 -6.248 -0.126 1.00 . A A . 2 CYS SG 1 1 10 2579 1 1 3 ILE C C -0.646 -4.270 1.487 1.00 . A A . 3 ILE C 1 1 10 2580 1 1 3 ILE CA C -0.159 -5.266 2.530 1.00 . A A . 3 ILE CA 1 1 10 2581 1 1 3 ILE CB C -0.544 -4.784 3.943 1.00 . A A . 3 ILE CB 1 1 10 2582 1 1 3 ILE CD1 C -0.053 -3.028 5.727 1.00 . A A . 3 ILE CD1 1 1 10 2583 1 1 3 ILE CG1 C 0.271 -3.551 4.343 1.00 . A A . 3 ILE CG1 1 1 10 2584 1 1 3 ILE CG2 C -0.350 -5.907 4.951 1.00 . A A . 3 ILE CG2 1 1 10 2585 1 1 3 ILE H H 1.891 -5.094 3.036 1.00 . A A . 3 ILE H 1 1 10 2586 1 1 3 ILE HA H -0.660 -6.209 2.356 1.00 . A A . 3 ILE HA 1 1 10 2587 1 1 3 ILE HB H -1.592 -4.526 3.928 1.00 . A A . 3 ILE HB 1 1 10 2588 1 1 3 ILE HD11 H -0.463 -2.032 5.648 1.00 . A A . 3 ILE HD11 1 1 10 2589 1 1 3 ILE HD12 H 0.848 -3.002 6.321 1.00 . A A . 3 ILE HD12 1 1 10 2590 1 1 3 ILE HD13 H -0.775 -3.679 6.197 1.00 . A A . 3 ILE HD13 1 1 10 2591 1 1 3 ILE HG12 H 1.320 -3.798 4.319 1.00 . A A . 3 ILE HG12 1 1 10 2592 1 1 3 ILE HG13 H 0.077 -2.758 3.636 1.00 . A A . 3 ILE HG13 1 1 10 2593 1 1 3 ILE HG21 H 0.668 -5.899 5.310 1.00 . A A . 3 ILE HG21 1 1 10 2594 1 1 3 ILE HG22 H -0.556 -6.857 4.477 1.00 . A A . 3 ILE HG22 1 1 10 2595 1 1 3 ILE HG23 H -1.026 -5.766 5.781 1.00 . A A . 3 ILE HG23 1 1 10 2596 1 1 3 ILE N N 1.270 -5.511 2.404 1.00 . A A . 3 ILE N 1 1 10 2597 1 1 3 ILE O O -0.570 -3.056 1.677 1.00 . A A . 3 ILE O 1 1 10 2598 1 1 4 PHE C C -2.584 -2.902 -0.173 1.00 . A A . 4 PHE C 1 1 10 2599 1 1 4 PHE CA C -1.654 -3.988 -0.716 1.00 . A A . 4 PHE CA 1 1 10 2600 1 1 4 PHE CB C -2.398 -4.877 -1.717 1.00 . A A . 4 PHE CB 1 1 10 2601 1 1 4 PHE CD1 C -1.380 -3.754 -3.721 1.00 . A A . 4 PHE CD1 1 1 10 2602 1 1 4 PHE CD2 C -3.697 -4.322 -3.792 1.00 . A A . 4 PHE CD2 1 1 10 2603 1 1 4 PHE CE1 C -1.465 -3.237 -5.000 1.00 . A A . 4 PHE CE1 1 1 10 2604 1 1 4 PHE CE2 C -3.786 -3.805 -5.071 1.00 . A A . 4 PHE CE2 1 1 10 2605 1 1 4 PHE CG C -2.495 -4.302 -3.103 1.00 . A A . 4 PHE CG 1 1 10 2606 1 1 4 PHE CZ C -2.669 -3.263 -5.675 1.00 . A A . 4 PHE CZ 1 1 10 2607 1 1 4 PHE H H -1.165 -5.785 0.300 1.00 . A A . 4 PHE H 1 1 10 2608 1 1 4 PHE HA H -0.814 -3.522 -1.209 1.00 . A A . 4 PHE HA 1 1 10 2609 1 1 4 PHE HB2 H -1.888 -5.826 -1.789 1.00 . A A . 4 PHE HB2 1 1 10 2610 1 1 4 PHE HB3 H -3.402 -5.045 -1.356 1.00 . A A . 4 PHE HB3 1 1 10 2611 1 1 4 PHE HD1 H -0.438 -3.733 -3.194 1.00 . A A . 4 PHE HD1 1 1 10 2612 1 1 4 PHE HD2 H -4.571 -4.745 -3.321 1.00 . A A . 4 PHE HD2 1 1 10 2613 1 1 4 PHE HE1 H -0.590 -2.813 -5.470 1.00 . A A . 4 PHE HE1 1 1 10 2614 1 1 4 PHE HE2 H -4.729 -3.825 -5.597 1.00 . A A . 4 PHE HE2 1 1 10 2615 1 1 4 PHE HZ H -2.737 -2.860 -6.675 1.00 . A A . 4 PHE HZ 1 1 10 2616 1 1 4 PHE N N -1.144 -4.807 0.380 1.00 . A A . 4 PHE N 1 1 10 2617 1 1 4 PHE O O -3.711 -3.183 0.236 1.00 . A A . 4 PHE O 1 1 10 2618 1 1 5 CYS C C -3.689 0.153 -0.705 1.00 . A A . 5 CYS C 1 1 10 2619 1 1 5 CYS CA C -2.856 -0.538 0.375 1.00 . A A . 5 CYS CA 1 1 10 2620 1 1 5 CYS CB C -1.912 0.480 1.022 1.00 . A A . 5 CYS CB 1 1 10 2621 1 1 5 CYS H H -1.179 -1.513 -0.470 1.00 . A A . 5 CYS H 1 1 10 2622 1 1 5 CYS HA H -3.523 -0.918 1.133 1.00 . A A . 5 CYS HA 1 1 10 2623 1 1 5 CYS HB2 H -1.159 0.763 0.305 1.00 . A A . 5 CYS HB2 1 1 10 2624 1 1 5 CYS HB3 H -2.480 1.354 1.305 1.00 . A A . 5 CYS HB3 1 1 10 2625 1 1 5 CYS N N -2.089 -1.666 -0.147 1.00 . A A . 5 CYS N 1 1 10 2626 1 1 5 CYS O O -3.196 1.030 -1.415 1.00 . A A . 5 CYS O 1 1 10 2627 1 1 5 CYS SG S -1.051 -0.126 2.508 1.00 . A A . 5 CYS SG 1 1 10 2628 1 1 6 CYS C C -6.602 1.569 -1.166 1.00 . A A . 6 CYS C 1 1 10 2629 1 1 6 CYS CA C -5.871 0.375 -1.772 1.00 . A A . 6 CYS CA 1 1 10 2630 1 1 6 CYS CB C -6.880 -0.652 -2.287 1.00 . A A . 6 CYS CB 1 1 10 2631 1 1 6 CYS H H -5.298 -0.917 -0.194 1.00 . A A . 6 CYS H 1 1 10 2632 1 1 6 CYS HA H -5.276 0.728 -2.602 1.00 . A A . 6 CYS HA 1 1 10 2633 1 1 6 CYS HB2 H -7.148 -1.317 -1.480 1.00 . A A . 6 CYS HB2 1 1 10 2634 1 1 6 CYS HB3 H -7.764 -0.136 -2.630 1.00 . A A . 6 CYS HB3 1 1 10 2635 1 1 6 CYS N N -4.960 -0.228 -0.803 1.00 . A A . 6 CYS N 1 1 10 2636 1 1 6 CYS O O -7.813 1.521 -0.949 1.00 . A A . 6 CYS O 1 1 10 2637 1 1 6 CYS SG S -6.264 -1.674 -3.663 1.00 . A A . 6 CYS SG 1 1 10 2638 1 1 7 GLY C C -6.651 3.693 1.190 1.00 . A A . 7 GLY C 1 1 10 2639 1 1 7 GLY CA C -6.457 3.823 -0.308 1.00 . A A . 7 GLY CA 1 1 10 2640 1 1 7 GLY H H -4.899 2.612 -1.084 1.00 . A A . 7 GLY H 1 1 10 2641 1 1 7 GLY HA2 H -5.817 4.668 -0.505 1.00 . A A . 7 GLY HA2 1 1 10 2642 1 1 7 GLY HA3 H -7.417 3.995 -0.771 1.00 . A A . 7 GLY HA3 1 1 10 2643 1 1 7 GLY N N -5.860 2.634 -0.892 1.00 . A A . 7 GLY N 1 1 10 2644 1 1 7 GLY O O -7.753 3.890 1.701 1.00 . A A . 7 GLY O 1 1 10 2645 1 1 8 CYS C C -5.981 4.461 4.043 1.00 . A A . 8 CYS C 1 1 10 2646 1 1 8 CYS CA C -5.620 3.182 3.338 1.00 . A A . 8 CYS CA 1 1 10 2647 1 1 8 CYS CB C -4.245 2.769 3.891 1.00 . A A . 8 CYS CB 1 1 10 2648 1 1 8 CYS H H -4.727 3.203 1.420 1.00 . A A . 8 CYS H 1 1 10 2649 1 1 8 CYS HA H -6.343 2.419 3.575 1.00 . A A . 8 CYS HA 1 1 10 2650 1 1 8 CYS HB2 H -4.373 2.377 4.888 1.00 . A A . 8 CYS HB2 1 1 10 2651 1 1 8 CYS HB3 H -3.833 1.996 3.260 1.00 . A A . 8 CYS HB3 1 1 10 2652 1 1 8 CYS N N -5.574 3.352 1.890 1.00 . A A . 8 CYS N 1 1 10 2653 1 1 8 CYS O O -6.807 4.485 4.955 1.00 . A A . 8 CYS O 1 1 10 2654 1 1 8 CYS SG S -3.003 4.136 3.986 1.00 . A A . 8 CYS SG 1 1 10 2655 1 1 9 CYS C C -5.560 7.928 3.418 1.00 . A A . 9 CYS C 1 1 10 2656 1 1 9 CYS CA C -5.356 6.745 4.367 1.00 . A A . 9 CYS CA 1 1 10 2657 1 1 9 CYS CB C -4.064 6.861 5.163 1.00 . A A . 9 CYS CB 1 1 10 2658 1 1 9 CYS H H -4.540 5.369 3.025 1.00 . A A . 9 CYS H 1 1 10 2659 1 1 9 CYS HA H -6.183 6.692 5.054 1.00 . A A . 9 CYS HA 1 1 10 2660 1 1 9 CYS HB2 H -3.305 7.326 4.551 1.00 . A A . 9 CYS HB2 1 1 10 2661 1 1 9 CYS HB3 H -4.237 7.463 6.042 1.00 . A A . 9 CYS HB3 1 1 10 2662 1 1 9 CYS N N -5.245 5.489 3.694 1.00 . A A . 9 CYS N 1 1 10 2663 1 1 9 CYS O O -6.611 8.570 3.438 1.00 . A A . 9 CYS O 1 1 10 2664 1 1 9 CYS SG S -3.430 5.219 5.717 1.00 . A A . 9 CYS SG 1 1 10 2665 1 1 10 HIS C C -4.462 8.898 0.224 1.00 . A A . 10 HIS C 1 1 10 2666 1 1 10 HIS CA C -4.633 9.349 1.672 1.00 . A A . 10 HIS CA 1 1 10 2667 1 1 10 HIS CB C -3.574 10.398 2.023 1.00 . A A . 10 HIS CB 1 1 10 2668 1 1 10 HIS CD2 C -3.840 12.924 1.489 1.00 . A A . 10 HIS CD2 1 1 10 2669 1 1 10 HIS CE1 C -3.552 12.826 -0.683 1.00 . A A . 10 HIS CE1 1 1 10 2670 1 1 10 HIS CG C -3.629 11.625 1.165 1.00 . A A . 10 HIS CG 1 1 10 2671 1 1 10 HIS H H -3.731 7.690 2.638 1.00 . A A . 10 HIS H 1 1 10 2672 1 1 10 HIS HA H -5.611 9.793 1.782 1.00 . A A . 10 HIS HA 1 1 10 2673 1 1 10 HIS HB2 H -3.711 10.706 3.049 1.00 . A A . 10 HIS HB2 1 1 10 2674 1 1 10 HIS HB3 H -2.594 9.959 1.913 1.00 . A A . 10 HIS HB3 1 1 10 2675 1 1 10 HIS HD1 H -3.282 10.798 -0.741 1.00 . A A . 10 HIS HD1 1 1 10 2676 1 1 10 HIS HD2 H -4.017 13.317 2.480 1.00 . A A . 10 HIS HD2 1 1 10 2677 1 1 10 HIS HE1 H -3.458 13.107 -1.721 1.00 . A A . 10 HIS HE1 1 1 10 2678 1 1 10 HIS HE2 H -3.975 14.605 0.237 1.00 . A A . 10 HIS HE2 1 1 10 2679 1 1 10 HIS N N -4.550 8.226 2.603 1.00 . A A . 10 HIS N 1 1 10 2680 1 1 10 HIS ND1 N -3.454 11.597 -0.203 1.00 . A A . 10 HIS ND1 1 1 10 2681 1 1 10 HIS NE2 N -3.787 13.648 0.323 1.00 . A A . 10 HIS NE2 1 1 10 2682 1 1 10 HIS O O -5.291 9.214 -0.631 1.00 . A A . 10 HIS O 1 1 10 2683 1 1 11 ARG C C -4.252 6.816 -1.905 1.00 . A A . 11 ARG C 1 1 10 2684 1 1 11 ARG CA C -3.113 7.698 -1.407 1.00 . A A . 11 ARG CA 1 1 10 2685 1 1 11 ARG CB C -1.795 6.920 -1.448 1.00 . A A . 11 ARG CB 1 1 10 2686 1 1 11 ARG CD C -1.017 7.596 -3.757 1.00 . A A . 11 ARG CD 1 1 10 2687 1 1 11 ARG CG C -1.398 6.441 -2.839 1.00 . A A . 11 ARG CG 1 1 10 2688 1 1 11 ARG CZ C -2.073 9.534 -4.849 1.00 . A A . 11 ARG CZ 1 1 10 2689 1 1 11 ARG H H -2.751 7.957 0.664 1.00 . A A . 11 ARG H 1 1 10 2690 1 1 11 ARG HA H -3.034 8.561 -2.051 1.00 . A A . 11 ARG HA 1 1 10 2691 1 1 11 ARG HB2 H -1.006 7.556 -1.073 1.00 . A A . 11 ARG HB2 1 1 10 2692 1 1 11 ARG HB3 H -1.882 6.056 -0.806 1.00 . A A . 11 ARG HB3 1 1 10 2693 1 1 11 ARG HD2 H -0.263 8.193 -3.267 1.00 . A A . 11 ARG HD2 1 1 10 2694 1 1 11 ARG HD3 H -0.613 7.191 -4.673 1.00 . A A . 11 ARG HD3 1 1 10 2695 1 1 11 ARG HE H -3.030 8.205 -3.709 1.00 . A A . 11 ARG HE 1 1 10 2696 1 1 11 ARG HG2 H -0.551 5.776 -2.750 1.00 . A A . 11 ARG HG2 1 1 10 2697 1 1 11 ARG HG3 H -2.230 5.908 -3.274 1.00 . A A . 11 ARG HG3 1 1 10 2698 1 1 11 ARG HH11 H -0.088 9.350 -5.183 1.00 . A A . 11 ARG HH11 1 1 10 2699 1 1 11 ARG HH12 H -0.847 10.706 -5.948 1.00 . A A . 11 ARG HH12 1 1 10 2700 1 1 11 ARG HH21 H -4.037 9.993 -4.708 1.00 . A A . 11 ARG HH21 1 1 10 2701 1 1 11 ARG HH22 H -3.090 11.073 -5.676 1.00 . A A . 11 ARG HH22 1 1 10 2702 1 1 11 ARG N N -3.382 8.172 -0.053 1.00 . A A . 11 ARG N 1 1 10 2703 1 1 11 ARG NE N -2.158 8.451 -4.080 1.00 . A A . 11 ARG NE 1 1 10 2704 1 1 11 ARG NH1 N -0.907 9.893 -5.369 1.00 . A A . 11 ARG NH1 1 1 10 2705 1 1 11 ARG NH2 N -3.155 10.259 -5.098 1.00 . A A . 11 ARG NH2 1 1 10 2706 1 1 11 ARG O O -4.464 5.716 -1.400 1.00 . A A . 11 ARG O 1 1 10 2707 1 1 12 SER C C -5.619 5.377 -4.286 1.00 . A A . 12 SER C 1 1 10 2708 1 1 12 SER CA C -6.104 6.570 -3.470 1.00 . A A . 12 SER CA 1 1 10 2709 1 1 12 SER CB C -6.955 7.493 -4.347 1.00 . A A . 12 SER CB 1 1 10 2710 1 1 12 SER H H -4.763 8.194 -3.260 1.00 . A A . 12 SER H 1 1 10 2711 1 1 12 SER HA H -6.709 6.209 -2.654 1.00 . A A . 12 SER HA 1 1 10 2712 1 1 12 SER HB2 H -7.783 6.935 -4.756 1.00 . A A . 12 SER HB2 1 1 10 2713 1 1 12 SER HB3 H -7.331 8.309 -3.748 1.00 . A A . 12 SER HB3 1 1 10 2714 1 1 12 SER HG H -5.287 8.161 -5.130 1.00 . A A . 12 SER HG 1 1 10 2715 1 1 12 SER N N -4.983 7.310 -2.901 1.00 . A A . 12 SER N 1 1 10 2716 1 1 12 SER O O -6.188 4.288 -4.211 1.00 . A A . 12 SER O 1 1 10 2717 1 1 12 SER OG O -6.193 8.027 -5.416 1.00 . A A . 12 SER OG 1 1 10 2718 1 1 13 LYS C C -3.507 3.373 -5.063 1.00 . A A . 13 LYS C 1 1 10 2719 1 1 13 LYS CA C -4.003 4.543 -5.906 1.00 . A A . 13 LYS CA 1 1 10 2720 1 1 13 LYS CB C -2.855 5.098 -6.750 1.00 . A A . 13 LYS CB 1 1 10 2721 1 1 13 LYS CD C -2.110 6.741 -8.517 1.00 . A A . 13 LYS CD 1 1 10 2722 1 1 13 LYS CE C -1.583 5.715 -9.513 1.00 . A A . 13 LYS CE 1 1 10 2723 1 1 13 LYS CG C -3.281 6.202 -7.704 1.00 . A A . 13 LYS CG 1 1 10 2724 1 1 13 LYS H H -4.163 6.486 -5.084 1.00 . A A . 13 LYS H 1 1 10 2725 1 1 13 LYS HA H -4.783 4.191 -6.564 1.00 . A A . 13 LYS HA 1 1 10 2726 1 1 13 LYS HB2 H -2.097 5.495 -6.089 1.00 . A A . 13 LYS HB2 1 1 10 2727 1 1 13 LYS HB3 H -2.429 4.294 -7.331 1.00 . A A . 13 LYS HB3 1 1 10 2728 1 1 13 LYS HD2 H -2.437 7.615 -9.059 1.00 . A A . 13 LYS HD2 1 1 10 2729 1 1 13 LYS HD3 H -1.313 7.013 -7.841 1.00 . A A . 13 LYS HD3 1 1 10 2730 1 1 13 LYS HE2 H -2.414 5.324 -10.080 1.00 . A A . 13 LYS HE2 1 1 10 2731 1 1 13 LYS HE3 H -0.894 6.208 -10.185 1.00 . A A . 13 LYS HE3 1 1 10 2732 1 1 13 LYS HG2 H -4.023 5.809 -8.381 1.00 . A A . 13 LYS HG2 1 1 10 2733 1 1 13 LYS HG3 H -3.710 7.011 -7.130 1.00 . A A . 13 LYS HG3 1 1 10 2734 1 1 13 LYS HZ1 H -0.283 4.078 -9.531 1.00 . A A . 13 LYS HZ1 1 1 10 2735 1 1 13 LYS HZ2 H -1.572 3.917 -8.448 1.00 . A A . 13 LYS HZ2 1 1 10 2736 1 1 13 LYS HZ3 H -0.279 4.941 -8.075 1.00 . A A . 13 LYS HZ3 1 1 10 2737 1 1 13 LYS N N -4.567 5.594 -5.067 1.00 . A A . 13 LYS N 1 1 10 2738 1 1 13 LYS NZ N -0.881 4.584 -8.845 1.00 . A A . 13 LYS NZ 1 1 10 2739 1 1 13 LYS O O -2.787 3.562 -4.083 1.00 . A A . 13 LYS O 1 1 10 2740 1 1 14 CYS C C -1.971 0.795 -4.785 1.00 . A A . 14 CYS C 1 1 10 2741 1 1 14 CYS CA C -3.484 0.959 -4.743 1.00 . A A . 14 CYS CA 1 1 10 2742 1 1 14 CYS CB C -4.152 -0.279 -5.345 1.00 . A A . 14 CYS CB 1 1 10 2743 1 1 14 CYS H H -4.464 2.077 -6.249 1.00 . A A . 14 CYS H 1 1 10 2744 1 1 14 CYS HA H -3.794 1.062 -3.714 1.00 . A A . 14 CYS HA 1 1 10 2745 1 1 14 CYS HB2 H -3.931 -0.318 -6.400 1.00 . A A . 14 CYS HB2 1 1 10 2746 1 1 14 CYS HB3 H -3.749 -1.160 -4.867 1.00 . A A . 14 CYS HB3 1 1 10 2747 1 1 14 CYS N N -3.894 2.163 -5.457 1.00 . A A . 14 CYS N 1 1 10 2748 1 1 14 CYS O O -1.333 1.078 -5.800 1.00 . A A . 14 CYS O 1 1 10 2749 1 1 14 CYS SG S -5.964 -0.330 -5.161 1.00 . A A . 14 CYS SG 1 1 10 2750 1 1 15 GLY C C 0.426 -0.736 -2.431 1.00 . A A . 15 GLY C 1 1 10 2751 1 1 15 GLY CA C 0.030 0.125 -3.611 1.00 . A A . 15 GLY CA 1 1 10 2752 1 1 15 GLY H H -1.965 0.114 -2.904 1.00 . A A . 15 GLY H 1 1 10 2753 1 1 15 GLY HA2 H 0.359 -0.353 -4.521 1.00 . A A . 15 GLY HA2 1 1 10 2754 1 1 15 GLY HA3 H 0.516 1.085 -3.522 1.00 . A A . 15 GLY HA3 1 1 10 2755 1 1 15 GLY N N -1.404 0.328 -3.679 1.00 . A A . 15 GLY N 1 1 10 2756 1 1 15 GLY O O 0.130 -0.402 -1.284 1.00 . A A . 15 GLY O 1 1 10 2757 1 1 16 MET C C 2.375 -2.063 -0.627 1.00 . A A . 16 MET C 1 1 10 2758 1 1 16 MET CA C 1.526 -2.774 -1.678 1.00 . A A . 16 MET CA 1 1 10 2759 1 1 16 MET CB C 2.314 -3.930 -2.296 1.00 . A A . 16 MET CB 1 1 10 2760 1 1 16 MET CE C 3.249 -5.562 -4.881 1.00 . A A . 16 MET CE 1 1 10 2761 1 1 16 MET CG C 3.550 -3.486 -3.063 1.00 . A A . 16 MET CG 1 1 10 2762 1 1 16 MET H H 1.291 -2.059 -3.654 1.00 . A A . 16 MET H 1 1 10 2763 1 1 16 MET HA H 0.642 -3.170 -1.199 1.00 . A A . 16 MET HA 1 1 10 2764 1 1 16 MET HB2 H 2.628 -4.598 -1.509 1.00 . A A . 16 MET HB2 1 1 10 2765 1 1 16 MET HB3 H 1.669 -4.468 -2.976 1.00 . A A . 16 MET HB3 1 1 10 2766 1 1 16 MET HE1 H 2.565 -6.184 -4.323 1.00 . A A . 16 MET HE1 1 1 10 2767 1 1 16 MET HE2 H 3.746 -6.159 -5.632 1.00 . A A . 16 MET HE2 1 1 10 2768 1 1 16 MET HE3 H 2.703 -4.763 -5.359 1.00 . A A . 16 MET HE3 1 1 10 2769 1 1 16 MET HG2 H 3.243 -2.832 -3.866 1.00 . A A . 16 MET HG2 1 1 10 2770 1 1 16 MET HG3 H 4.200 -2.947 -2.389 1.00 . A A . 16 MET HG3 1 1 10 2771 1 1 16 MET N N 1.092 -1.850 -2.717 1.00 . A A . 16 MET N 1 1 10 2772 1 1 16 MET O O 3.312 -1.338 -0.959 1.00 . A A . 16 MET O 1 1 10 2773 1 1 16 MET SD S 4.470 -4.869 -3.767 1.00 . A A . 16 MET SD 1 1 10 2774 1 1 17 CYS C C 3.690 -2.700 2.400 1.00 . A A . 17 CYS C 1 1 10 2775 1 1 17 CYS CA C 2.781 -1.676 1.739 1.00 . A A . 17 CYS CA 1 1 10 2776 1 1 17 CYS CB C 1.826 -1.070 2.770 1.00 . A A . 17 CYS CB 1 1 10 2777 1 1 17 CYS H H 1.292 -2.882 0.846 1.00 . A A . 17 CYS H 1 1 10 2778 1 1 17 CYS HA H 3.396 -0.892 1.324 1.00 . A A . 17 CYS HA 1 1 10 2779 1 1 17 CYS HB2 H 1.110 -1.821 3.066 1.00 . A A . 17 CYS HB2 1 1 10 2780 1 1 17 CYS HB3 H 2.394 -0.762 3.636 1.00 . A A . 17 CYS HB3 1 1 10 2781 1 1 17 CYS N N 2.043 -2.286 0.642 1.00 . A A . 17 CYS N 1 1 10 2782 1 1 17 CYS O O 3.339 -3.300 3.418 1.00 . A A . 17 CYS O 1 1 10 2783 1 1 17 CYS SG S 0.890 0.376 2.176 1.00 . A A . 17 CYS SG 1 1 10 2784 1 1 18 CYS C C 6.338 -3.393 3.684 1.00 . A A . 18 CYS C 1 1 10 2785 1 1 18 CYS CA C 5.831 -3.842 2.321 1.00 . A A . 18 CYS CA 1 1 10 2786 1 1 18 CYS CB C 6.998 -3.984 1.343 1.00 . A A . 18 CYS CB 1 1 10 2787 1 1 18 CYS H H 5.070 -2.385 1.001 1.00 . A A . 18 CYS H 1 1 10 2788 1 1 18 CYS HA H 5.342 -4.798 2.428 1.00 . A A . 18 CYS HA 1 1 10 2789 1 1 18 CYS HB2 H 7.529 -3.045 1.287 1.00 . A A . 18 CYS HB2 1 1 10 2790 1 1 18 CYS HB3 H 7.669 -4.751 1.702 1.00 . A A . 18 CYS HB3 1 1 10 2791 1 1 18 CYS N N 4.858 -2.894 1.806 1.00 . A A . 18 CYS N 1 1 10 2792 1 1 18 CYS O O 6.551 -2.202 3.916 1.00 . A A . 18 CYS O 1 1 10 2793 1 1 18 CYS SG S 6.490 -4.434 -0.348 1.00 . A A . 18 CYS SG 1 1 10 2794 1 1 19 LYS C C 8.156 -3.092 5.921 1.00 . A A . 19 LYS C 1 1 10 2795 1 1 19 LYS CA C 6.983 -4.071 5.937 1.00 . A A . 19 LYS CA 1 1 10 2796 1 1 19 LYS CB C 7.390 -5.368 6.652 1.00 . A A . 19 LYS CB 1 1 10 2797 1 1 19 LYS CD C 8.531 -6.488 4.693 1.00 . A A . 19 LYS CD 1 1 10 2798 1 1 19 LYS CE C 9.789 -7.194 4.216 1.00 . A A . 19 LYS CE 1 1 10 2799 1 1 19 LYS CG C 8.674 -6.003 6.128 1.00 . A A . 19 LYS CG 1 1 10 2800 1 1 19 LYS H H 6.310 -5.277 4.330 1.00 . A A . 19 LYS H 1 1 10 2801 1 1 19 LYS HA H 6.165 -3.618 6.478 1.00 . A A . 19 LYS HA 1 1 10 2802 1 1 19 LYS HB2 H 7.526 -5.155 7.701 1.00 . A A . 19 LYS HB2 1 1 10 2803 1 1 19 LYS HB3 H 6.590 -6.086 6.543 1.00 . A A . 19 LYS HB3 1 1 10 2804 1 1 19 LYS HD2 H 7.701 -7.175 4.637 1.00 . A A . 19 LYS HD2 1 1 10 2805 1 1 19 LYS HD3 H 8.342 -5.638 4.054 1.00 . A A . 19 LYS HD3 1 1 10 2806 1 1 19 LYS HE2 H 9.936 -8.082 4.812 1.00 . A A . 19 LYS HE2 1 1 10 2807 1 1 19 LYS HE3 H 9.656 -7.473 3.180 1.00 . A A . 19 LYS HE3 1 1 10 2808 1 1 19 LYS HG2 H 9.466 -5.271 6.169 1.00 . A A . 19 LYS HG2 1 1 10 2809 1 1 19 LYS HG3 H 8.927 -6.843 6.758 1.00 . A A . 19 LYS HG3 1 1 10 2810 1 1 19 LYS HZ1 H 11.525 -6.568 5.193 1.00 . A A . 19 LYS HZ1 1 1 10 2811 1 1 19 LYS HZ2 H 10.710 -5.327 4.384 1.00 . A A . 19 LYS HZ2 1 1 10 2812 1 1 19 LYS HZ3 H 11.610 -6.457 3.506 1.00 . A A . 19 LYS HZ3 1 1 10 2813 1 1 19 LYS N N 6.513 -4.353 4.583 1.00 . A A . 19 LYS N 1 1 10 2814 1 1 19 LYS NZ N 10.993 -6.326 4.333 1.00 . A A . 19 LYS NZ 1 1 10 2815 1 1 19 LYS O O 9.085 -3.232 5.126 1.00 . A A . 19 LYS O 1 1 10 2816 1 1 20 THR C C 10.478 -1.711 7.295 1.00 . A A . 20 THR C 1 1 10 2817 1 1 20 THR CA C 9.145 -1.087 6.891 1.00 . A A . 20 THR CA 1 1 10 2818 1 1 20 THR CB C 8.773 0.013 7.905 1.00 . A A . 20 THR CB 1 1 10 2819 1 1 20 THR CG2 C 9.842 1.096 7.949 1.00 . A A . 20 THR CG2 1 1 10 2820 1 1 20 THR H H 7.325 -2.038 7.403 1.00 . A A . 20 THR H 1 1 10 2821 1 1 20 THR HA H 9.252 -0.630 5.918 1.00 . A A . 20 THR HA 1 1 10 2822 1 1 20 THR HB H 8.694 -0.433 8.886 1.00 . A A . 20 THR HB 1 1 10 2823 1 1 20 THR HG1 H 7.612 1.106 6.744 1.00 . A A . 20 THR HG1 1 1 10 2824 1 1 20 THR HG21 H 9.372 2.067 7.889 1.00 . A A . 20 THR HG21 1 1 10 2825 1 1 20 THR HG22 H 10.516 0.970 7.115 1.00 . A A . 20 THR HG22 1 1 10 2826 1 1 20 THR HG23 H 10.394 1.020 8.874 1.00 . A A . 20 THR HG23 1 1 10 2827 1 1 20 THR N N 8.097 -2.097 6.802 1.00 . A A . 20 THR N 1 1 10 2828 1 1 20 THR O O 10.530 -2.346 8.369 1.00 . A A . 20 THR O 1 1 10 2829 1 1 20 THR OXT O 11.456 -1.560 6.533 1.00 . A A . 20 THR OXT 1 1 10 2830 1 1 20 THR OG1 O 7.514 0.598 7.551 1.00 . A A . 20 THR OG1 1 1 11 2831 1 1 1 ILE C C 2.746 -7.989 3.397 1.00 . A A . 1 ILE C 1 1 11 2832 1 1 1 ILE CA C 2.986 -9.493 3.457 1.00 . A A . 1 ILE CA 1 1 11 2833 1 1 1 ILE CB C 1.776 -10.244 2.855 1.00 . A A . 1 ILE CB 1 1 11 2834 1 1 1 ILE CD1 C -0.222 -8.807 3.556 1.00 . A A . 1 ILE CD1 1 1 11 2835 1 1 1 ILE CG1 C 0.533 -10.106 3.745 1.00 . A A . 1 ILE CG1 1 1 11 2836 1 1 1 ILE CG2 C 2.119 -11.711 2.650 1.00 . A A . 1 ILE CG2 1 1 11 2837 1 1 1 ILE H1 H 3.765 -9.190 5.367 1.00 . A A . 1 ILE H1 1 1 11 2838 1 1 1 ILE H2 H 3.860 -10.792 4.834 1.00 . A A . 1 ILE H2 1 1 11 2839 1 1 1 ILE H3 H 2.377 -10.155 5.338 1.00 . A A . 1 ILE H3 1 1 11 2840 1 1 1 ILE HA H 3.854 -9.720 2.852 1.00 . A A . 1 ILE HA 1 1 11 2841 1 1 1 ILE HB H 1.564 -9.816 1.887 1.00 . A A . 1 ILE HB 1 1 11 2842 1 1 1 ILE HD11 H -1.088 -8.980 2.934 1.00 . A A . 1 ILE HD11 1 1 11 2843 1 1 1 ILE HD12 H 0.423 -8.082 3.081 1.00 . A A . 1 ILE HD12 1 1 11 2844 1 1 1 ILE HD13 H -0.538 -8.431 4.518 1.00 . A A . 1 ILE HD13 1 1 11 2845 1 1 1 ILE HG12 H -0.148 -10.915 3.527 1.00 . A A . 1 ILE HG12 1 1 11 2846 1 1 1 ILE HG13 H 0.834 -10.167 4.781 1.00 . A A . 1 ILE HG13 1 1 11 2847 1 1 1 ILE HG21 H 3.024 -11.791 2.067 1.00 . A A . 1 ILE HG21 1 1 11 2848 1 1 1 ILE HG22 H 1.310 -12.201 2.128 1.00 . A A . 1 ILE HG22 1 1 11 2849 1 1 1 ILE HG23 H 2.267 -12.184 3.610 1.00 . A A . 1 ILE HG23 1 1 11 2850 1 1 1 ILE N N 3.266 -9.938 4.845 1.00 . A A . 1 ILE N 1 1 11 2851 1 1 1 ILE O O 2.213 -7.396 4.335 1.00 . A A . 1 ILE O 1 1 11 2852 1 1 2 CYS C C 1.511 -5.565 2.173 1.00 . A A . 2 CYS C 1 1 11 2853 1 1 2 CYS CA C 2.988 -5.942 2.101 1.00 . A A . 2 CYS CA 1 1 11 2854 1 1 2 CYS CB C 3.585 -5.520 0.759 1.00 . A A . 2 CYS CB 1 1 11 2855 1 1 2 CYS H H 3.577 -7.909 1.582 1.00 . A A . 2 CYS H 1 1 11 2856 1 1 2 CYS HA H 3.516 -5.440 2.898 1.00 . A A . 2 CYS HA 1 1 11 2857 1 1 2 CYS HB2 H 2.938 -5.853 -0.037 1.00 . A A . 2 CYS HB2 1 1 11 2858 1 1 2 CYS HB3 H 3.661 -4.443 0.729 1.00 . A A . 2 CYS HB3 1 1 11 2859 1 1 2 CYS N N 3.152 -7.379 2.289 1.00 . A A . 2 CYS N 1 1 11 2860 1 1 2 CYS O O 0.653 -6.252 1.612 1.00 . A A . 2 CYS O 1 1 11 2861 1 1 2 CYS SG S 5.248 -6.203 0.450 1.00 . A A . 2 CYS SG 1 1 11 2862 1 1 3 ILE C C -0.665 -3.386 1.726 1.00 . A A . 3 ILE C 1 1 11 2863 1 1 3 ILE CA C -0.165 -4.034 3.004 1.00 . A A . 3 ILE CA 1 1 11 2864 1 1 3 ILE CB C -0.344 -3.064 4.177 1.00 . A A . 3 ILE CB 1 1 11 2865 1 1 3 ILE CD1 C 0.612 -0.929 5.186 1.00 . A A . 3 ILE CD1 1 1 11 2866 1 1 3 ILE CG1 C 0.840 -2.103 4.257 1.00 . A A . 3 ILE CG1 1 1 11 2867 1 1 3 ILE CG2 C -0.506 -3.834 5.479 1.00 . A A . 3 ILE CG2 1 1 11 2868 1 1 3 ILE H H 1.926 -3.954 3.288 1.00 . A A . 3 ILE H 1 1 11 2869 1 1 3 ILE HA H -0.769 -4.906 3.202 1.00 . A A . 3 ILE HA 1 1 11 2870 1 1 3 ILE HB H -1.247 -2.505 4.002 1.00 . A A . 3 ILE HB 1 1 11 2871 1 1 3 ILE HD11 H 1.499 -0.760 5.777 1.00 . A A . 3 ILE HD11 1 1 11 2872 1 1 3 ILE HD12 H -0.222 -1.143 5.839 1.00 . A A . 3 ILE HD12 1 1 11 2873 1 1 3 ILE HD13 H 0.394 -0.046 4.603 1.00 . A A . 3 ILE HD13 1 1 11 2874 1 1 3 ILE HG12 H 1.703 -2.644 4.617 1.00 . A A . 3 ILE HG12 1 1 11 2875 1 1 3 ILE HG13 H 1.051 -1.720 3.273 1.00 . A A . 3 ILE HG13 1 1 11 2876 1 1 3 ILE HG21 H -0.872 -3.168 6.248 1.00 . A A . 3 ILE HG21 1 1 11 2877 1 1 3 ILE HG22 H 0.447 -4.241 5.779 1.00 . A A . 3 ILE HG22 1 1 11 2878 1 1 3 ILE HG23 H -1.213 -4.639 5.335 1.00 . A A . 3 ILE HG23 1 1 11 2879 1 1 3 ILE N N 1.211 -4.474 2.867 1.00 . A A . 3 ILE N 1 1 11 2880 1 1 3 ILE O O -0.466 -2.194 1.497 1.00 . A A . 3 ILE O 1 1 11 2881 1 1 4 PHE C C -2.688 -2.456 -0.152 1.00 . A A . 4 PHE C 1 1 11 2882 1 1 4 PHE CA C -1.857 -3.717 -0.368 1.00 . A A . 4 PHE CA 1 1 11 2883 1 1 4 PHE CB C -2.706 -4.814 -1.017 1.00 . A A . 4 PHE CB 1 1 11 2884 1 1 4 PHE CD1 C -2.394 -3.826 -3.309 1.00 . A A . 4 PHE CD1 1 1 11 2885 1 1 4 PHE CD2 C -4.506 -4.791 -2.765 1.00 . A A . 4 PHE CD2 1 1 11 2886 1 1 4 PHE CE1 C -2.858 -3.515 -4.573 1.00 . A A . 4 PHE CE1 1 1 11 2887 1 1 4 PHE CE2 C -4.976 -4.483 -4.028 1.00 . A A . 4 PHE CE2 1 1 11 2888 1 1 4 PHE CG C -3.212 -4.468 -2.391 1.00 . A A . 4 PHE CG 1 1 11 2889 1 1 4 PHE CZ C -4.151 -3.843 -4.932 1.00 . A A . 4 PHE CZ 1 1 11 2890 1 1 4 PHE H H -1.430 -5.132 1.150 1.00 . A A . 4 PHE H 1 1 11 2891 1 1 4 PHE HA H -1.028 -3.482 -1.017 1.00 . A A . 4 PHE HA 1 1 11 2892 1 1 4 PHE HB2 H -2.113 -5.712 -1.102 1.00 . A A . 4 PHE HB2 1 1 11 2893 1 1 4 PHE HB3 H -3.561 -5.013 -0.388 1.00 . A A . 4 PHE HB3 1 1 11 2894 1 1 4 PHE HD1 H -1.384 -3.569 -3.029 1.00 . A A . 4 PHE HD1 1 1 11 2895 1 1 4 PHE HD2 H -5.154 -5.290 -2.058 1.00 . A A . 4 PHE HD2 1 1 11 2896 1 1 4 PHE HE1 H -2.212 -3.014 -5.278 1.00 . A A . 4 PHE HE1 1 1 11 2897 1 1 4 PHE HE2 H -5.986 -4.742 -4.307 1.00 . A A . 4 PHE HE2 1 1 11 2898 1 1 4 PHE HZ H -4.515 -3.601 -5.920 1.00 . A A . 4 PHE HZ 1 1 11 2899 1 1 4 PHE N N -1.316 -4.191 0.900 1.00 . A A . 4 PHE N 1 1 11 2900 1 1 4 PHE O O -3.808 -2.514 0.355 1.00 . A A . 4 PHE O 1 1 11 2901 1 1 5 CYS C C -3.642 0.287 -1.592 1.00 . A A . 5 CYS C 1 1 11 2902 1 1 5 CYS CA C -2.783 -0.032 -0.378 1.00 . A A . 5 CYS CA 1 1 11 2903 1 1 5 CYS CB C -1.751 1.076 -0.157 1.00 . A A . 5 CYS CB 1 1 11 2904 1 1 5 CYS H H -1.221 -1.344 -0.925 1.00 . A A . 5 CYS H 1 1 11 2905 1 1 5 CYS HA H -3.425 -0.095 0.486 1.00 . A A . 5 CYS HA 1 1 11 2906 1 1 5 CYS HB2 H -1.060 1.083 -0.986 1.00 . A A . 5 CYS HB2 1 1 11 2907 1 1 5 CYS HB3 H -2.260 2.027 -0.113 1.00 . A A . 5 CYS HB3 1 1 11 2908 1 1 5 CYS N N -2.117 -1.319 -0.532 1.00 . A A . 5 CYS N 1 1 11 2909 1 1 5 CYS O O -3.300 1.152 -2.399 1.00 . A A . 5 CYS O 1 1 11 2910 1 1 5 CYS SG S -0.772 0.899 1.373 1.00 . A A . 5 CYS SG 1 1 11 2911 1 1 6 CYS C C -6.599 0.953 -2.564 1.00 . A A . 6 CYS C 1 1 11 2912 1 1 6 CYS CA C -5.662 -0.214 -2.836 1.00 . A A . 6 CYS CA 1 1 11 2913 1 1 6 CYS CB C -6.456 -1.486 -3.137 1.00 . A A . 6 CYS CB 1 1 11 2914 1 1 6 CYS H H -4.967 -1.097 -1.040 1.00 . A A . 6 CYS H 1 1 11 2915 1 1 6 CYS HA H -5.060 0.035 -3.695 1.00 . A A . 6 CYS HA 1 1 11 2916 1 1 6 CYS HB2 H -5.798 -2.338 -3.060 1.00 . A A . 6 CYS HB2 1 1 11 2917 1 1 6 CYS HB3 H -7.250 -1.584 -2.411 1.00 . A A . 6 CYS HB3 1 1 11 2918 1 1 6 CYS N N -4.755 -0.421 -1.717 1.00 . A A . 6 CYS N 1 1 11 2919 1 1 6 CYS O O -7.822 0.808 -2.573 1.00 . A A . 6 CYS O 1 1 11 2920 1 1 6 CYS SG S -7.212 -1.519 -4.796 1.00 . A A . 6 CYS SG 1 1 11 2921 1 1 7 GLY C C -7.690 3.169 -0.858 1.00 . A A . 7 GLY C 1 1 11 2922 1 1 7 GLY CA C -6.770 3.315 -2.054 1.00 . A A . 7 GLY CA 1 1 11 2923 1 1 7 GLY H H -5.025 2.152 -2.342 1.00 . A A . 7 GLY H 1 1 11 2924 1 1 7 GLY HA2 H -6.084 4.129 -1.868 1.00 . A A . 7 GLY HA2 1 1 11 2925 1 1 7 GLY HA3 H -7.364 3.552 -2.924 1.00 . A A . 7 GLY HA3 1 1 11 2926 1 1 7 GLY N N -6.004 2.113 -2.326 1.00 . A A . 7 GLY N 1 1 11 2927 1 1 7 GLY O O -8.814 3.675 -0.869 1.00 . A A . 7 GLY O 1 1 11 2928 1 1 8 CYS C C -7.998 3.514 2.249 1.00 . A A . 8 CYS C 1 1 11 2929 1 1 8 CYS CA C -8.017 2.286 1.385 1.00 . A A . 8 CYS CA 1 1 11 2930 1 1 8 CYS CB C -7.459 1.138 2.249 1.00 . A A . 8 CYS CB 1 1 11 2931 1 1 8 CYS H H -6.314 2.106 0.134 1.00 . A A . 8 CYS H 1 1 11 2932 1 1 8 CYS HA H -9.030 2.058 1.097 1.00 . A A . 8 CYS HA 1 1 11 2933 1 1 8 CYS HB2 H -8.214 0.837 2.959 1.00 . A A . 8 CYS HB2 1 1 11 2934 1 1 8 CYS HB3 H -7.226 0.301 1.608 1.00 . A A . 8 CYS HB3 1 1 11 2935 1 1 8 CYS N N -7.218 2.484 0.179 1.00 . A A . 8 CYS N 1 1 11 2936 1 1 8 CYS O O -9.026 3.990 2.733 1.00 . A A . 8 CYS O 1 1 11 2937 1 1 8 CYS SG S -5.931 1.551 3.206 1.00 . A A . 8 CYS SG 1 1 11 2938 1 1 9 CYS C C -5.626 6.077 2.822 1.00 . A A . 9 CYS C 1 1 11 2939 1 1 9 CYS CA C -6.544 5.016 3.427 1.00 . A A . 9 CYS CA 1 1 11 2940 1 1 9 CYS CB C -5.930 4.351 4.648 1.00 . A A . 9 CYS CB 1 1 11 2941 1 1 9 CYS H H -6.022 3.449 2.157 1.00 . A A . 9 CYS H 1 1 11 2942 1 1 9 CYS HA H -7.486 5.462 3.700 1.00 . A A . 9 CYS HA 1 1 11 2943 1 1 9 CYS HB2 H -4.856 4.316 4.535 1.00 . A A . 9 CYS HB2 1 1 11 2944 1 1 9 CYS HB3 H -6.183 4.918 5.531 1.00 . A A . 9 CYS HB3 1 1 11 2945 1 1 9 CYS N N -6.788 3.938 2.523 1.00 . A A . 9 CYS N 1 1 11 2946 1 1 9 CYS O O -5.984 7.253 2.745 1.00 . A A . 9 CYS O 1 1 11 2947 1 1 9 CYS SG S -6.541 2.627 4.886 1.00 . A A . 9 CYS SG 1 1 11 2948 1 1 10 HIS C C -3.872 6.940 0.376 1.00 . A A . 10 HIS C 1 1 11 2949 1 1 10 HIS CA C -3.466 6.554 1.800 1.00 . A A . 10 HIS CA 1 1 11 2950 1 1 10 HIS CB C -2.076 5.909 1.803 1.00 . A A . 10 HIS CB 1 1 11 2951 1 1 10 HIS CD2 C -2.021 5.954 4.402 1.00 . A A . 10 HIS CD2 1 1 11 2952 1 1 10 HIS CE1 C -0.061 5.017 4.693 1.00 . A A . 10 HIS CE1 1 1 11 2953 1 1 10 HIS CG C -1.518 5.675 3.175 1.00 . A A . 10 HIS CG 1 1 11 2954 1 1 10 HIS H H -4.216 4.699 2.487 1.00 . A A . 10 HIS H 1 1 11 2955 1 1 10 HIS HA H -3.436 7.449 2.403 1.00 . A A . 10 HIS HA 1 1 11 2956 1 1 10 HIS HB2 H -2.130 4.955 1.301 1.00 . A A . 10 HIS HB2 1 1 11 2957 1 1 10 HIS HB3 H -1.389 6.551 1.270 1.00 . A A . 10 HIS HB3 1 1 11 2958 1 1 10 HIS HD1 H 0.326 4.771 2.700 1.00 . A A . 10 HIS HD1 1 1 11 2959 1 1 10 HIS HD2 H -2.973 6.421 4.612 1.00 . A A . 10 HIS HD2 1 1 11 2960 1 1 10 HIS HE1 H 0.823 4.605 5.159 1.00 . A A . 10 HIS HE1 1 1 11 2961 1 1 10 HIS HE2 H -1.137 5.713 6.290 1.00 . A A . 10 HIS HE2 1 1 11 2962 1 1 10 HIS N N -4.441 5.649 2.397 1.00 . A A . 10 HIS N 1 1 11 2963 1 1 10 HIS ND1 N -0.289 5.089 3.394 1.00 . A A . 10 HIS ND1 1 1 11 2964 1 1 10 HIS NE2 N -1.096 5.536 5.327 1.00 . A A . 10 HIS NE2 1 1 11 2965 1 1 10 HIS O O -5.041 7.224 0.112 1.00 . A A . 10 HIS O 1 1 11 2966 1 1 11 ARG C C -4.194 6.376 -2.548 1.00 . A A . 11 ARG C 1 1 11 2967 1 1 11 ARG CA C -3.155 7.304 -1.928 1.00 . A A . 11 ARG CA 1 1 11 2968 1 1 11 ARG CB C -1.856 7.244 -2.734 1.00 . A A . 11 ARG CB 1 1 11 2969 1 1 11 ARG CD C -1.150 9.601 -2.203 1.00 . A A . 11 ARG CD 1 1 11 2970 1 1 11 ARG CG C -0.752 8.133 -2.182 1.00 . A A . 11 ARG CG 1 1 11 2971 1 1 11 ARG CZ C -0.202 11.783 -1.571 1.00 . A A . 11 ARG CZ 1 1 11 2972 1 1 11 ARG H H -1.989 6.719 -0.267 1.00 . A A . 11 ARG H 1 1 11 2973 1 1 11 ARG HA H -3.535 8.315 -1.951 1.00 . A A . 11 ARG HA 1 1 11 2974 1 1 11 ARG HB2 H -1.496 6.225 -2.743 1.00 . A A . 11 ARG HB2 1 1 11 2975 1 1 11 ARG HB3 H -2.060 7.552 -3.750 1.00 . A A . 11 ARG HB3 1 1 11 2976 1 1 11 ARG HD2 H -1.349 9.892 -3.223 1.00 . A A . 11 ARG HD2 1 1 11 2977 1 1 11 ARG HD3 H -2.045 9.726 -1.611 1.00 . A A . 11 ARG HD3 1 1 11 2978 1 1 11 ARG HE H 0.723 10.029 -1.349 1.00 . A A . 11 ARG HE 1 1 11 2979 1 1 11 ARG HG2 H -0.545 7.843 -1.163 1.00 . A A . 11 ARG HG2 1 1 11 2980 1 1 11 ARG HG3 H 0.136 8.002 -2.783 1.00 . A A . 11 ARG HG3 1 1 11 2981 1 1 11 ARG HH11 H -2.057 11.867 -2.369 1.00 . A A . 11 ARG HH11 1 1 11 2982 1 1 11 ARG HH12 H -1.374 13.392 -1.917 1.00 . A A . 11 ARG HH12 1 1 11 2983 1 1 11 ARG HH21 H 1.627 12.034 -0.748 1.00 . A A . 11 ARG HH21 1 1 11 2984 1 1 11 ARG HH22 H 0.720 13.487 -0.997 1.00 . A A . 11 ARG HH22 1 1 11 2985 1 1 11 ARG N N -2.901 6.951 -0.536 1.00 . A A . 11 ARG N 1 1 11 2986 1 1 11 ARG NE N -0.100 10.460 -1.661 1.00 . A A . 11 ARG NE 1 1 11 2987 1 1 11 ARG NH1 N -1.300 12.398 -1.986 1.00 . A A . 11 ARG NH1 1 1 11 2988 1 1 11 ARG NH2 N 0.797 12.493 -1.064 1.00 . A A . 11 ARG NH2 1 1 11 2989 1 1 11 ARG O O -4.235 5.183 -2.247 1.00 . A A . 11 ARG O 1 1 11 2990 1 1 12 SER C C -5.459 5.041 -4.918 1.00 . A A . 12 SER C 1 1 11 2991 1 1 12 SER CA C -6.070 6.162 -4.087 1.00 . A A . 12 SER CA 1 1 11 2992 1 1 12 SER CB C -6.918 7.072 -4.978 1.00 . A A . 12 SER CB 1 1 11 2993 1 1 12 SER H H -4.943 7.888 -3.618 1.00 . A A . 12 SER H 1 1 11 2994 1 1 12 SER HA H -6.702 5.727 -3.327 1.00 . A A . 12 SER HA 1 1 11 2995 1 1 12 SER HB2 H -6.286 7.541 -5.715 1.00 . A A . 12 SER HB2 1 1 11 2996 1 1 12 SER HB3 H -7.675 6.482 -5.474 1.00 . A A . 12 SER HB3 1 1 11 2997 1 1 12 SER HG H -8.317 7.711 -3.765 1.00 . A A . 12 SER HG 1 1 11 2998 1 1 12 SER N N -5.031 6.934 -3.418 1.00 . A A . 12 SER N 1 1 11 2999 1 1 12 SER O O -6.043 3.966 -5.056 1.00 . A A . 12 SER O 1 1 11 3000 1 1 12 SER OG O -7.555 8.082 -4.215 1.00 . A A . 12 SER OG 1 1 11 3001 1 1 13 LYS C C -3.363 3.022 -5.519 1.00 . A A . 13 LYS C 1 1 11 3002 1 1 13 LYS CA C -3.583 4.319 -6.294 1.00 . A A . 13 LYS CA 1 1 11 3003 1 1 13 LYS CB C -2.240 4.876 -6.766 1.00 . A A . 13 LYS CB 1 1 11 3004 1 1 13 LYS CD C -1.010 6.662 -8.060 1.00 . A A . 13 LYS CD 1 1 11 3005 1 1 13 LYS CE C -0.203 7.235 -6.902 1.00 . A A . 13 LYS CE 1 1 11 3006 1 1 13 LYS CG C -2.367 6.135 -7.610 1.00 . A A . 13 LYS CG 1 1 11 3007 1 1 13 LYS H H -3.866 6.182 -5.324 1.00 . A A . 13 LYS H 1 1 11 3008 1 1 13 LYS HA H -4.199 4.110 -7.156 1.00 . A A . 13 LYS HA 1 1 11 3009 1 1 13 LYS HB2 H -1.635 5.107 -5.902 1.00 . A A . 13 LYS HB2 1 1 11 3010 1 1 13 LYS HB3 H -1.737 4.124 -7.356 1.00 . A A . 13 LYS HB3 1 1 11 3011 1 1 13 LYS HD2 H -0.451 5.852 -8.504 1.00 . A A . 13 LYS HD2 1 1 11 3012 1 1 13 LYS HD3 H -1.165 7.437 -8.795 1.00 . A A . 13 LYS HD3 1 1 11 3013 1 1 13 LYS HE2 H 0.687 7.701 -7.296 1.00 . A A . 13 LYS HE2 1 1 11 3014 1 1 13 LYS HE3 H -0.803 7.979 -6.398 1.00 . A A . 13 LYS HE3 1 1 11 3015 1 1 13 LYS HG2 H -2.960 5.911 -8.483 1.00 . A A . 13 LYS HG2 1 1 11 3016 1 1 13 LYS HG3 H -2.861 6.897 -7.025 1.00 . A A . 13 LYS HG3 1 1 11 3017 1 1 13 LYS HZ1 H 1.056 6.488 -5.411 1.00 . A A . 13 LYS HZ1 1 1 11 3018 1 1 13 LYS HZ2 H 0.390 5.294 -6.406 1.00 . A A . 13 LYS HZ2 1 1 11 3019 1 1 13 LYS HZ3 H -0.565 6.039 -5.227 1.00 . A A . 13 LYS HZ3 1 1 11 3020 1 1 13 LYS N N -4.279 5.304 -5.472 1.00 . A A . 13 LYS N 1 1 11 3021 1 1 13 LYS NZ N 0.197 6.191 -5.918 1.00 . A A . 13 LYS NZ 1 1 11 3022 1 1 13 LYS O O -2.815 3.031 -4.417 1.00 . A A . 13 LYS O 1 1 11 3023 1 1 14 CYS C C -2.242 0.060 -5.638 1.00 . A A . 14 CYS C 1 1 11 3024 1 1 14 CYS CA C -3.657 0.605 -5.469 1.00 . A A . 14 CYS CA 1 1 11 3025 1 1 14 CYS CB C -4.679 -0.378 -6.048 1.00 . A A . 14 CYS CB 1 1 11 3026 1 1 14 CYS H H -4.231 1.970 -6.981 1.00 . A A . 14 CYS H 1 1 11 3027 1 1 14 CYS HA H -3.855 0.730 -4.415 1.00 . A A . 14 CYS HA 1 1 11 3028 1 1 14 CYS HB2 H -4.540 -0.443 -7.117 1.00 . A A . 14 CYS HB2 1 1 11 3029 1 1 14 CYS HB3 H -4.520 -1.352 -5.609 1.00 . A A . 14 CYS HB3 1 1 11 3030 1 1 14 CYS N N -3.800 1.911 -6.104 1.00 . A A . 14 CYS N 1 1 11 3031 1 1 14 CYS O O -1.691 0.066 -6.739 1.00 . A A . 14 CYS O 1 1 11 3032 1 1 14 CYS SG S -6.413 0.098 -5.739 1.00 . A A . 14 CYS SG 1 1 11 3033 1 1 15 GLY C C 0.162 -1.434 -3.229 1.00 . A A . 15 GLY C 1 1 11 3034 1 1 15 GLY CA C -0.315 -0.958 -4.586 1.00 . A A . 15 GLY CA 1 1 11 3035 1 1 15 GLY H H -2.148 -0.393 -3.685 1.00 . A A . 15 GLY H 1 1 11 3036 1 1 15 GLY HA2 H -0.300 -1.790 -5.274 1.00 . A A . 15 GLY HA2 1 1 11 3037 1 1 15 GLY HA3 H 0.358 -0.193 -4.943 1.00 . A A . 15 GLY HA3 1 1 11 3038 1 1 15 GLY N N -1.660 -0.414 -4.537 1.00 . A A . 15 GLY N 1 1 11 3039 1 1 15 GLY O O 0.027 -0.724 -2.233 1.00 . A A . 15 GLY O 1 1 11 3040 1 1 16 MET C C 2.194 -2.276 -1.256 1.00 . A A . 16 MET C 1 1 11 3041 1 1 16 MET CA C 1.216 -3.222 -1.947 1.00 . A A . 16 MET CA 1 1 11 3042 1 1 16 MET CB C 1.893 -4.565 -2.231 1.00 . A A . 16 MET CB 1 1 11 3043 1 1 16 MET CE C 2.280 -7.734 -1.779 1.00 . A A . 16 MET CE 1 1 11 3044 1 1 16 MET CG C 0.984 -5.563 -2.931 1.00 . A A . 16 MET CG 1 1 11 3045 1 1 16 MET H H 0.795 -3.158 -4.020 1.00 . A A . 16 MET H 1 1 11 3046 1 1 16 MET HA H 0.371 -3.386 -1.297 1.00 . A A . 16 MET HA 1 1 11 3047 1 1 16 MET HB2 H 2.757 -4.395 -2.857 1.00 . A A . 16 MET HB2 1 1 11 3048 1 1 16 MET HB3 H 2.216 -4.997 -1.297 1.00 . A A . 16 MET HB3 1 1 11 3049 1 1 16 MET HE1 H 1.599 -7.347 -1.035 1.00 . A A . 16 MET HE1 1 1 11 3050 1 1 16 MET HE2 H 3.288 -7.432 -1.538 1.00 . A A . 16 MET HE2 1 1 11 3051 1 1 16 MET HE3 H 2.221 -8.812 -1.796 1.00 . A A . 16 MET HE3 1 1 11 3052 1 1 16 MET HG2 H 0.168 -5.811 -2.268 1.00 . A A . 16 MET HG2 1 1 11 3053 1 1 16 MET HG3 H 0.591 -5.105 -3.825 1.00 . A A . 16 MET HG3 1 1 11 3054 1 1 16 MET N N 0.719 -2.643 -3.191 1.00 . A A . 16 MET N 1 1 11 3055 1 1 16 MET O O 3.108 -1.746 -1.888 1.00 . A A . 16 MET O 1 1 11 3056 1 1 16 MET SD S 1.834 -7.088 -3.389 1.00 . A A . 16 MET SD 1 1 11 3057 1 1 17 CYS C C 3.817 -2.011 1.681 1.00 . A A . 17 CYS C 1 1 11 3058 1 1 17 CYS CA C 2.866 -1.193 0.817 1.00 . A A . 17 CYS CA 1 1 11 3059 1 1 17 CYS CB C 2.038 -0.239 1.681 1.00 . A A . 17 CYS CB 1 1 11 3060 1 1 17 CYS H H 1.256 -2.528 0.498 1.00 . A A . 17 CYS H 1 1 11 3061 1 1 17 CYS HA H 3.452 -0.615 0.118 1.00 . A A . 17 CYS HA 1 1 11 3062 1 1 17 CYS HB2 H 1.300 -0.808 2.227 1.00 . A A . 17 CYS HB2 1 1 11 3063 1 1 17 CYS HB3 H 2.692 0.257 2.384 1.00 . A A . 17 CYS HB3 1 1 11 3064 1 1 17 CYS N N 1.997 -2.072 0.045 1.00 . A A . 17 CYS N 1 1 11 3065 1 1 17 CYS O O 3.525 -2.311 2.840 1.00 . A A . 17 CYS O 1 1 11 3066 1 1 17 CYS SG S 1.153 1.049 0.740 1.00 . A A . 17 CYS SG 1 1 11 3067 1 1 18 CYS C C 6.674 -2.363 2.852 1.00 . A A . 18 CYS C 1 1 11 3068 1 1 18 CYS CA C 5.952 -3.172 1.784 1.00 . A A . 18 CYS CA 1 1 11 3069 1 1 18 CYS CB C 6.968 -3.728 0.782 1.00 . A A . 18 CYS CB 1 1 11 3070 1 1 18 CYS H H 5.110 -2.111 0.168 1.00 . A A . 18 CYS H 1 1 11 3071 1 1 18 CYS HA H 5.447 -3.998 2.259 1.00 . A A . 18 CYS HA 1 1 11 3072 1 1 18 CYS HB2 H 7.494 -2.906 0.321 1.00 . A A . 18 CYS HB2 1 1 11 3073 1 1 18 CYS HB3 H 7.681 -4.355 1.309 1.00 . A A . 18 CYS HB3 1 1 11 3074 1 1 18 CYS N N 4.948 -2.377 1.095 1.00 . A A . 18 CYS N 1 1 11 3075 1 1 18 CYS O O 6.699 -1.132 2.812 1.00 . A A . 18 CYS O 1 1 11 3076 1 1 18 CYS SG S 6.221 -4.726 -0.545 1.00 . A A . 18 CYS SG 1 1 11 3077 1 1 19 LYS C C 8.727 -1.217 4.496 1.00 . A A . 19 LYS C 1 1 11 3078 1 1 19 LYS CA C 8.029 -2.515 4.895 1.00 . A A . 19 LYS CA 1 1 11 3079 1 1 19 LYS CB C 9.069 -3.539 5.338 1.00 . A A . 19 LYS CB 1 1 11 3080 1 1 19 LYS CD C 10.724 -5.286 4.575 1.00 . A A . 19 LYS CD 1 1 11 3081 1 1 19 LYS CE C 11.078 -6.181 3.399 1.00 . A A . 19 LYS CE 1 1 11 3082 1 1 19 LYS CG C 9.724 -4.228 4.155 1.00 . A A . 19 LYS CG 1 1 11 3083 1 1 19 LYS H H 7.194 -4.065 3.728 1.00 . A A . 19 LYS H 1 1 11 3084 1 1 19 LYS HA H 7.352 -2.321 5.713 1.00 . A A . 19 LYS HA 1 1 11 3085 1 1 19 LYS HB2 H 9.835 -3.039 5.916 1.00 . A A . 19 LYS HB2 1 1 11 3086 1 1 19 LYS HB3 H 8.591 -4.288 5.951 1.00 . A A . 19 LYS HB3 1 1 11 3087 1 1 19 LYS HD2 H 11.620 -4.803 4.936 1.00 . A A . 19 LYS HD2 1 1 11 3088 1 1 19 LYS HD3 H 10.291 -5.889 5.360 1.00 . A A . 19 LYS HD3 1 1 11 3089 1 1 19 LYS HE2 H 11.248 -5.555 2.532 1.00 . A A . 19 LYS HE2 1 1 11 3090 1 1 19 LYS HE3 H 11.977 -6.731 3.632 1.00 . A A . 19 LYS HE3 1 1 11 3091 1 1 19 LYS HG2 H 8.959 -4.698 3.558 1.00 . A A . 19 LYS HG2 1 1 11 3092 1 1 19 LYS HG3 H 10.235 -3.485 3.559 1.00 . A A . 19 LYS HG3 1 1 11 3093 1 1 19 LYS HZ1 H 9.330 -7.216 3.887 1.00 . A A . 19 LYS HZ1 1 1 11 3094 1 1 19 LYS HZ2 H 10.380 -8.080 2.880 1.00 . A A . 19 LYS HZ2 1 1 11 3095 1 1 19 LYS HZ3 H 9.454 -6.814 2.248 1.00 . A A . 19 LYS HZ3 1 1 11 3096 1 1 19 LYS N N 7.265 -3.090 3.789 1.00 . A A . 19 LYS N 1 1 11 3097 1 1 19 LYS NZ N 9.984 -7.140 3.081 1.00 . A A . 19 LYS NZ 1 1 11 3098 1 1 19 LYS O O 9.336 -1.129 3.430 1.00 . A A . 19 LYS O 1 1 11 3099 1 1 20 THR C C 10.777 0.943 5.007 1.00 . A A . 20 THR C 1 1 11 3100 1 1 20 THR CA C 9.261 1.078 5.113 1.00 . A A . 20 THR CA 1 1 11 3101 1 1 20 THR CB C 8.919 2.092 6.222 1.00 . A A . 20 THR CB 1 1 11 3102 1 1 20 THR CG2 C 9.570 3.441 5.949 1.00 . A A . 20 THR CG2 1 1 11 3103 1 1 20 THR H H 8.141 -0.349 6.200 1.00 . A A . 20 THR H 1 1 11 3104 1 1 20 THR HA H 8.876 1.457 4.176 1.00 . A A . 20 THR HA 1 1 11 3105 1 1 20 THR HB H 9.293 1.712 7.162 1.00 . A A . 20 THR HB 1 1 11 3106 1 1 20 THR HG1 H 7.084 1.395 6.425 1.00 . A A . 20 THR HG1 1 1 11 3107 1 1 20 THR HG21 H 9.429 4.088 6.802 1.00 . A A . 20 THR HG21 1 1 11 3108 1 1 20 THR HG22 H 9.118 3.888 5.078 1.00 . A A . 20 THR HG22 1 1 11 3109 1 1 20 THR HG23 H 10.627 3.301 5.776 1.00 . A A . 20 THR HG23 1 1 11 3110 1 1 20 THR N N 8.637 -0.214 5.366 1.00 . A A . 20 THR N 1 1 11 3111 1 1 20 THR O O 11.357 0.172 5.800 1.00 . A A . 20 THR O 1 1 11 3112 1 1 20 THR OXT O 11.371 1.608 4.134 1.00 . A A . 20 THR OXT 1 1 11 3113 1 1 20 THR OG1 O 7.499 2.254 6.317 1.00 . A A . 20 THR OG1 1 1 12 3114 1 1 1 ILE C C 3.083 -8.232 2.397 1.00 . A A . 1 ILE C 1 1 12 3115 1 1 1 ILE CA C 3.517 -9.670 2.132 1.00 . A A . 1 ILE CA 1 1 12 3116 1 1 1 ILE CB C 2.289 -10.487 1.666 1.00 . A A . 1 ILE CB 1 1 12 3117 1 1 1 ILE CD1 C 1.508 -11.157 4.017 1.00 . A A . 1 ILE CD1 1 1 12 3118 1 1 1 ILE CG1 C 1.166 -10.458 2.716 1.00 . A A . 1 ILE CG1 1 1 12 3119 1 1 1 ILE CG2 C 2.695 -11.921 1.355 1.00 . A A . 1 ILE CG2 1 1 12 3120 1 1 1 ILE H1 H 3.834 -9.774 4.191 1.00 . A A . 1 ILE H1 1 1 12 3121 1 1 1 ILE H2 H 5.190 -10.186 3.267 1.00 . A A . 1 ILE H2 1 1 12 3122 1 1 1 ILE H3 H 3.902 -11.273 3.410 1.00 . A A . 1 ILE H3 1 1 12 3123 1 1 1 ILE HA H 4.244 -9.669 1.333 1.00 . A A . 1 ILE HA 1 1 12 3124 1 1 1 ILE HB H 1.923 -10.044 0.752 1.00 . A A . 1 ILE HB 1 1 12 3125 1 1 1 ILE HD11 H 0.710 -11.835 4.281 1.00 . A A . 1 ILE HD11 1 1 12 3126 1 1 1 ILE HD12 H 1.631 -10.424 4.799 1.00 . A A . 1 ILE HD12 1 1 12 3127 1 1 1 ILE HD13 H 2.426 -11.713 3.896 1.00 . A A . 1 ILE HD13 1 1 12 3128 1 1 1 ILE HG12 H 0.932 -9.431 2.950 1.00 . A A . 1 ILE HG12 1 1 12 3129 1 1 1 ILE HG13 H 0.289 -10.936 2.304 1.00 . A A . 1 ILE HG13 1 1 12 3130 1 1 1 ILE HG21 H 1.896 -12.591 1.637 1.00 . A A . 1 ILE HG21 1 1 12 3131 1 1 1 ILE HG22 H 3.586 -12.171 1.911 1.00 . A A . 1 ILE HG22 1 1 12 3132 1 1 1 ILE HG23 H 2.891 -12.019 0.298 1.00 . A A . 1 ILE HG23 1 1 12 3133 1 1 1 ILE N N 4.154 -10.267 3.333 1.00 . A A . 1 ILE N 1 1 12 3134 1 1 1 ILE O O 2.553 -7.919 3.463 1.00 . A A . 1 ILE O 1 1 12 3135 1 1 2 CYS C C 1.436 -5.789 1.612 1.00 . A A . 2 CYS C 1 1 12 3136 1 1 2 CYS CA C 2.951 -5.954 1.551 1.00 . A A . 2 CYS CA 1 1 12 3137 1 1 2 CYS CB C 3.505 -5.146 0.377 1.00 . A A . 2 CYS CB 1 1 12 3138 1 1 2 CYS H H 3.744 -7.667 0.596 1.00 . A A . 2 CYS H 1 1 12 3139 1 1 2 CYS HA H 3.380 -5.582 2.466 1.00 . A A . 2 CYS HA 1 1 12 3140 1 1 2 CYS HB2 H 3.028 -5.474 -0.533 1.00 . A A . 2 CYS HB2 1 1 12 3141 1 1 2 CYS HB3 H 3.281 -4.102 0.538 1.00 . A A . 2 CYS HB3 1 1 12 3142 1 1 2 CYS N N 3.316 -7.359 1.420 1.00 . A A . 2 CYS N 1 1 12 3143 1 1 2 CYS O O 0.705 -6.319 0.771 1.00 . A A . 2 CYS O 1 1 12 3144 1 1 2 CYS SG S 5.306 -5.296 0.140 1.00 . A A . 2 CYS SG 1 1 12 3145 1 1 3 ILE C C -0.986 -3.974 1.586 1.00 . A A . 3 ILE C 1 1 12 3146 1 1 3 ILE CA C -0.466 -4.813 2.746 1.00 . A A . 3 ILE CA 1 1 12 3147 1 1 3 ILE CB C -0.811 -4.134 4.088 1.00 . A A . 3 ILE CB 1 1 12 3148 1 1 3 ILE CD1 C -0.299 -2.115 5.566 1.00 . A A . 3 ILE CD1 1 1 12 3149 1 1 3 ILE CG1 C -0.020 -2.832 4.261 1.00 . A A . 3 ILE CG1 1 1 12 3150 1 1 3 ILE CG2 C -0.536 -5.089 5.241 1.00 . A A . 3 ILE CG2 1 1 12 3151 1 1 3 ILE H H 1.581 -4.636 3.240 1.00 . A A . 3 ILE H 1 1 12 3152 1 1 3 ILE HA H -0.956 -5.776 2.720 1.00 . A A . 3 ILE HA 1 1 12 3153 1 1 3 ILE HB H -1.867 -3.910 4.084 1.00 . A A . 3 ILE HB 1 1 12 3154 1 1 3 ILE HD11 H 0.497 -2.319 6.267 1.00 . A A . 3 ILE HD11 1 1 12 3155 1 1 3 ILE HD12 H -1.237 -2.464 5.974 1.00 . A A . 3 ILE HD12 1 1 12 3156 1 1 3 ILE HD13 H -0.358 -1.052 5.386 1.00 . A A . 3 ILE HD13 1 1 12 3157 1 1 3 ILE HG12 H 1.035 -3.051 4.223 1.00 . A A . 3 ILE HG12 1 1 12 3158 1 1 3 ILE HG13 H -0.270 -2.159 3.454 1.00 . A A . 3 ILE HG13 1 1 12 3159 1 1 3 ILE HG21 H -0.534 -6.106 4.874 1.00 . A A . 3 ILE HG21 1 1 12 3160 1 1 3 ILE HG22 H -1.305 -4.979 5.991 1.00 . A A . 3 ILE HG22 1 1 12 3161 1 1 3 ILE HG23 H 0.426 -4.862 5.676 1.00 . A A . 3 ILE HG23 1 1 12 3162 1 1 3 ILE N N 0.961 -5.044 2.603 1.00 . A A . 3 ILE N 1 1 12 3163 1 1 3 ILE O O -0.868 -2.748 1.578 1.00 . A A . 3 ILE O 1 1 12 3164 1 1 4 PHE C C -2.997 -2.840 -0.197 1.00 . A A . 4 PHE C 1 1 12 3165 1 1 4 PHE CA C -2.077 -3.994 -0.593 1.00 . A A . 4 PHE CA 1 1 12 3166 1 1 4 PHE CB C -2.833 -5.015 -1.450 1.00 . A A . 4 PHE CB 1 1 12 3167 1 1 4 PHE CD1 C -2.213 -3.835 -3.584 1.00 . A A . 4 PHE CD1 1 1 12 3168 1 1 4 PHE CD2 C -4.362 -4.858 -3.431 1.00 . A A . 4 PHE CD2 1 1 12 3169 1 1 4 PHE CE1 C -2.496 -3.427 -4.873 1.00 . A A . 4 PHE CE1 1 1 12 3170 1 1 4 PHE CE2 C -4.649 -4.455 -4.721 1.00 . A A . 4 PHE CE2 1 1 12 3171 1 1 4 PHE CG C -3.143 -4.554 -2.847 1.00 . A A . 4 PHE CG 1 1 12 3172 1 1 4 PHE CZ C -3.715 -3.739 -5.442 1.00 . A A . 4 PHE CZ 1 1 12 3173 1 1 4 PHE H H -1.589 -5.632 0.658 1.00 . A A . 4 PHE H 1 1 12 3174 1 1 4 PHE HA H -1.243 -3.602 -1.158 1.00 . A A . 4 PHE HA 1 1 12 3175 1 1 4 PHE HB2 H -2.240 -5.913 -1.526 1.00 . A A . 4 PHE HB2 1 1 12 3176 1 1 4 PHE HB3 H -3.769 -5.252 -0.964 1.00 . A A . 4 PHE HB3 1 1 12 3177 1 1 4 PHE HD1 H -1.261 -3.590 -3.139 1.00 . A A . 4 PHE HD1 1 1 12 3178 1 1 4 PHE HD2 H -5.094 -5.418 -2.867 1.00 . A A . 4 PHE HD2 1 1 12 3179 1 1 4 PHE HE1 H -1.764 -2.866 -5.435 1.00 . A A . 4 PHE HE1 1 1 12 3180 1 1 4 PHE HE2 H -5.603 -4.699 -5.164 1.00 . A A . 4 PHE HE2 1 1 12 3181 1 1 4 PHE HZ H -3.937 -3.422 -6.451 1.00 . A A . 4 PHE HZ 1 1 12 3182 1 1 4 PHE N N -1.545 -4.654 0.594 1.00 . A A . 4 PHE N 1 1 12 3183 1 1 4 PHE O O -4.126 -3.055 0.245 1.00 . A A . 4 PHE O 1 1 12 3184 1 1 5 CYS C C -4.094 0.095 -1.143 1.00 . A A . 5 CYS C 1 1 12 3185 1 1 5 CYS CA C -3.249 -0.421 0.019 1.00 . A A . 5 CYS CA 1 1 12 3186 1 1 5 CYS CB C -2.296 0.687 0.472 1.00 . A A . 5 CYS CB 1 1 12 3187 1 1 5 CYS H H -1.582 -1.517 -0.686 1.00 . A A . 5 CYS H 1 1 12 3188 1 1 5 CYS HA H -3.902 -0.675 0.839 1.00 . A A . 5 CYS HA 1 1 12 3189 1 1 5 CYS HB2 H -1.628 0.928 -0.340 1.00 . A A . 5 CYS HB2 1 1 12 3190 1 1 5 CYS HB3 H -2.874 1.564 0.726 1.00 . A A . 5 CYS HB3 1 1 12 3191 1 1 5 CYS N N -2.493 -1.616 -0.342 1.00 . A A . 5 CYS N 1 1 12 3192 1 1 5 CYS O O -3.590 0.800 -2.017 1.00 . A A . 5 CYS O 1 1 12 3193 1 1 5 CYS SG S -1.269 0.266 1.914 1.00 . A A . 5 CYS SG 1 1 12 3194 1 1 6 CYS C C -6.917 1.563 -1.804 1.00 . A A . 6 CYS C 1 1 12 3195 1 1 6 CYS CA C -6.286 0.230 -2.180 1.00 . A A . 6 CYS CA 1 1 12 3196 1 1 6 CYS CB C -7.365 -0.810 -2.476 1.00 . A A . 6 CYS CB 1 1 12 3197 1 1 6 CYS H H -5.732 -0.780 -0.401 1.00 . A A . 6 CYS H 1 1 12 3198 1 1 6 CYS HA H -5.694 0.381 -3.070 1.00 . A A . 6 CYS HA 1 1 12 3199 1 1 6 CYS HB2 H -7.498 -1.438 -1.607 1.00 . A A . 6 CYS HB2 1 1 12 3200 1 1 6 CYS HB3 H -8.293 -0.303 -2.696 1.00 . A A . 6 CYS HB3 1 1 12 3201 1 1 6 CYS N N -5.380 -0.232 -1.134 1.00 . A A . 6 CYS N 1 1 12 3202 1 1 6 CYS O O -8.138 1.682 -1.694 1.00 . A A . 6 CYS O 1 1 12 3203 1 1 6 CYS SG S -6.973 -1.892 -3.887 1.00 . A A . 6 CYS SG 1 1 12 3204 1 1 7 GLY C C -7.183 3.939 0.112 1.00 . A A . 7 GLY C 1 1 12 3205 1 1 7 GLY CA C -6.536 3.888 -1.258 1.00 . A A . 7 GLY CA 1 1 12 3206 1 1 7 GLY H H -5.108 2.396 -1.725 1.00 . A A . 7 GLY H 1 1 12 3207 1 1 7 GLY HA2 H -5.697 4.567 -1.268 1.00 . A A . 7 GLY HA2 1 1 12 3208 1 1 7 GLY HA3 H -7.256 4.213 -1.995 1.00 . A A . 7 GLY HA3 1 1 12 3209 1 1 7 GLY N N -6.067 2.562 -1.615 1.00 . A A . 7 GLY N 1 1 12 3210 1 1 7 GLY O O -8.181 4.633 0.307 1.00 . A A . 7 GLY O 1 1 12 3211 1 1 8 CYS C C -6.792 4.460 3.149 1.00 . A A . 8 CYS C 1 1 12 3212 1 1 8 CYS CA C -7.141 3.191 2.426 1.00 . A A . 8 CYS CA 1 1 12 3213 1 1 8 CYS CB C -6.527 2.044 3.250 1.00 . A A . 8 CYS CB 1 1 12 3214 1 1 8 CYS H H -5.814 2.683 0.855 1.00 . A A . 8 CYS H 1 1 12 3215 1 1 8 CYS HA H -8.212 3.074 2.385 1.00 . A A . 8 CYS HA 1 1 12 3216 1 1 8 CYS HB2 H -7.117 1.902 4.143 1.00 . A A . 8 CYS HB2 1 1 12 3217 1 1 8 CYS HB3 H -6.555 1.138 2.663 1.00 . A A . 8 CYS HB3 1 1 12 3218 1 1 8 CYS N N -6.611 3.212 1.067 1.00 . A A . 8 CYS N 1 1 12 3219 1 1 8 CYS O O -7.619 5.084 3.815 1.00 . A A . 8 CYS O 1 1 12 3220 1 1 8 CYS SG S -4.777 2.316 3.780 1.00 . A A . 8 CYS SG 1 1 12 3221 1 1 9 CYS C C -4.105 6.750 2.917 1.00 . A A . 9 CYS C 1 1 12 3222 1 1 9 CYS CA C -4.948 5.845 3.815 1.00 . A A . 9 CYS CA 1 1 12 3223 1 1 9 CYS CB C -4.123 5.187 4.909 1.00 . A A . 9 CYS CB 1 1 12 3224 1 1 9 CYS H H -4.917 4.150 2.606 1.00 . A A . 9 CYS H 1 1 12 3225 1 1 9 CYS HA H -5.744 6.416 4.265 1.00 . A A . 9 CYS HA 1 1 12 3226 1 1 9 CYS HB2 H -3.121 5.009 4.545 1.00 . A A . 9 CYS HB2 1 1 12 3227 1 1 9 CYS HB3 H -4.087 5.836 5.771 1.00 . A A . 9 CYS HB3 1 1 12 3228 1 1 9 CYS N N -5.516 4.751 3.094 1.00 . A A . 9 CYS N 1 1 12 3229 1 1 9 CYS O O -4.324 7.960 2.859 1.00 . A A . 9 CYS O 1 1 12 3230 1 1 9 CYS SG S -4.836 3.571 5.445 1.00 . A A . 9 CYS SG 1 1 12 3231 1 1 10 HIS C C -2.994 7.271 0.035 1.00 . A A . 10 HIS C 1 1 12 3232 1 1 10 HIS CA C -2.263 6.898 1.327 1.00 . A A . 10 HIS CA 1 1 12 3233 1 1 10 HIS CB C -1.009 6.075 1.012 1.00 . A A . 10 HIS CB 1 1 12 3234 1 1 10 HIS CD2 C -0.371 6.017 3.531 1.00 . A A . 10 HIS CD2 1 1 12 3235 1 1 10 HIS CE1 C 1.461 4.826 3.368 1.00 . A A . 10 HIS CE1 1 1 12 3236 1 1 10 HIS CG C -0.194 5.722 2.221 1.00 . A A . 10 HIS CG 1 1 12 3237 1 1 10 HIS H H -3.019 5.183 2.314 1.00 . A A . 10 HIS H 1 1 12 3238 1 1 10 HIS HA H -1.969 7.805 1.834 1.00 . A A . 10 HIS HA 1 1 12 3239 1 1 10 HIS HB2 H -1.304 5.152 0.534 1.00 . A A . 10 HIS HB2 1 1 12 3240 1 1 10 HIS HB3 H -0.379 6.637 0.338 1.00 . A A . 10 HIS HB3 1 1 12 3241 1 1 10 HIS HD1 H 1.362 4.609 1.336 1.00 . A A . 10 HIS HD1 1 1 12 3242 1 1 10 HIS HD2 H -1.183 6.594 3.954 1.00 . A A . 10 HIS HD2 1 1 12 3243 1 1 10 HIS HE1 H 2.363 4.288 3.620 1.00 . A A . 10 HIS HE1 1 1 12 3244 1 1 10 HIS HE2 H 0.829 5.532 5.185 1.00 . A A . 10 HIS HE2 1 1 12 3245 1 1 10 HIS N N -3.141 6.151 2.223 1.00 . A A . 10 HIS N 1 1 12 3246 1 1 10 HIS ND1 N 0.964 4.976 2.154 1.00 . A A . 10 HIS ND1 1 1 12 3247 1 1 10 HIS NE2 N 0.670 5.450 4.222 1.00 . A A . 10 HIS NE2 1 1 12 3248 1 1 10 HIS O O -4.162 7.659 0.066 1.00 . A A . 10 HIS O 1 1 12 3249 1 1 11 ARG C C -4.109 6.588 -2.666 1.00 . A A . 11 ARG C 1 1 12 3250 1 1 11 ARG CA C -2.893 7.466 -2.393 1.00 . A A . 11 ARG CA 1 1 12 3251 1 1 11 ARG CB C -1.861 7.299 -3.514 1.00 . A A . 11 ARG CB 1 1 12 3252 1 1 11 ARG CD C 0.067 8.420 -2.329 1.00 . A A . 11 ARG CD 1 1 12 3253 1 1 11 ARG CG C -0.818 8.409 -3.566 1.00 . A A . 11 ARG CG 1 1 12 3254 1 1 11 ARG CZ C 1.909 9.759 -1.393 1.00 . A A . 11 ARG CZ 1 1 12 3255 1 1 11 ARG H H -1.377 6.830 -1.061 1.00 . A A . 11 ARG H 1 1 12 3256 1 1 11 ARG HA H -3.211 8.497 -2.364 1.00 . A A . 11 ARG HA 1 1 12 3257 1 1 11 ARG HB2 H -1.346 6.360 -3.376 1.00 . A A . 11 ARG HB2 1 1 12 3258 1 1 11 ARG HB3 H -2.379 7.279 -4.463 1.00 . A A . 11 ARG HB3 1 1 12 3259 1 1 11 ARG HD2 H -0.560 8.506 -1.454 1.00 . A A . 11 ARG HD2 1 1 12 3260 1 1 11 ARG HD3 H 0.618 7.493 -2.288 1.00 . A A . 11 ARG HD3 1 1 12 3261 1 1 11 ARG HE H 0.970 10.151 -3.108 1.00 . A A . 11 ARG HE 1 1 12 3262 1 1 11 ARG HG2 H -0.197 8.264 -4.437 1.00 . A A . 11 ARG HG2 1 1 12 3263 1 1 11 ARG HG3 H -1.326 9.360 -3.642 1.00 . A A . 11 ARG HG3 1 1 12 3264 1 1 11 ARG HH11 H 1.390 8.150 -0.284 1.00 . A A . 11 ARG HH11 1 1 12 3265 1 1 11 ARG HH12 H 2.676 9.112 0.362 1.00 . A A . 11 ARG HH12 1 1 12 3266 1 1 11 ARG HH21 H 2.658 11.423 -2.261 1.00 . A A . 11 ARG HH21 1 1 12 3267 1 1 11 ARG HH22 H 3.397 10.973 -0.760 1.00 . A A . 11 ARG HH22 1 1 12 3268 1 1 11 ARG N N -2.303 7.147 -1.098 1.00 . A A . 11 ARG N 1 1 12 3269 1 1 11 ARG NE N 1.012 9.534 -2.347 1.00 . A A . 11 ARG NE 1 1 12 3270 1 1 11 ARG NH1 N 1.999 8.940 -0.353 1.00 . A A . 11 ARG NH1 1 1 12 3271 1 1 11 ARG NH2 N 2.721 10.803 -1.478 1.00 . A A . 11 ARG NH2 1 1 12 3272 1 1 11 ARG O O -4.147 5.425 -2.266 1.00 . A A . 11 ARG O 1 1 12 3273 1 1 12 SER C C -6.010 5.189 -4.497 1.00 . A A . 12 SER C 1 1 12 3274 1 1 12 SER CA C -6.323 6.431 -3.675 1.00 . A A . 12 SER CA 1 1 12 3275 1 1 12 SER CB C -7.287 7.337 -4.443 1.00 . A A . 12 SER CB 1 1 12 3276 1 1 12 SER H H -5.005 8.085 -3.641 1.00 . A A . 12 SER H 1 1 12 3277 1 1 12 SER HA H -6.787 6.129 -2.749 1.00 . A A . 12 SER HA 1 1 12 3278 1 1 12 SER HB2 H -7.535 8.193 -3.835 1.00 . A A . 12 SER HB2 1 1 12 3279 1 1 12 SER HB3 H -6.815 7.669 -5.356 1.00 . A A . 12 SER HB3 1 1 12 3280 1 1 12 SER HG H -8.619 6.679 -5.721 1.00 . A A . 12 SER HG 1 1 12 3281 1 1 12 SER N N -5.100 7.155 -3.348 1.00 . A A . 12 SER N 1 1 12 3282 1 1 12 SER O O -6.638 4.143 -4.328 1.00 . A A . 12 SER O 1 1 12 3283 1 1 12 SER OG O -8.482 6.649 -4.771 1.00 . A A . 12 SER OG 1 1 12 3284 1 1 13 LYS C C -4.085 3.047 -5.416 1.00 . A A . 13 LYS C 1 1 12 3285 1 1 13 LYS CA C -4.634 4.205 -6.245 1.00 . A A . 13 LYS CA 1 1 12 3286 1 1 13 LYS CB C -3.585 4.670 -7.254 1.00 . A A . 13 LYS CB 1 1 12 3287 1 1 13 LYS CD C -2.994 6.226 -9.144 1.00 . A A . 13 LYS CD 1 1 12 3288 1 1 13 LYS CE C -2.584 5.099 -10.080 1.00 . A A . 13 LYS CE 1 1 12 3289 1 1 13 LYS CG C -4.074 5.782 -8.169 1.00 . A A . 13 LYS CG 1 1 12 3290 1 1 13 LYS H H -4.578 6.179 -5.472 1.00 . A A . 13 LYS H 1 1 12 3291 1 1 13 LYS HA H -5.509 3.866 -6.779 1.00 . A A . 13 LYS HA 1 1 12 3292 1 1 13 LYS HB2 H -2.718 5.030 -6.718 1.00 . A A . 13 LYS HB2 1 1 12 3293 1 1 13 LYS HB3 H -3.294 3.830 -7.867 1.00 . A A . 13 LYS HB3 1 1 12 3294 1 1 13 LYS HD2 H -3.371 7.048 -9.733 1.00 . A A . 13 LYS HD2 1 1 12 3295 1 1 13 LYS HD3 H -2.129 6.550 -8.584 1.00 . A A . 13 LYS HD3 1 1 12 3296 1 1 13 LYS HE2 H -2.210 4.276 -9.490 1.00 . A A . 13 LYS HE2 1 1 12 3297 1 1 13 LYS HE3 H -3.452 4.778 -10.637 1.00 . A A . 13 LYS HE3 1 1 12 3298 1 1 13 LYS HG2 H -4.924 5.424 -8.730 1.00 . A A . 13 LYS HG2 1 1 12 3299 1 1 13 LYS HG3 H -4.370 6.627 -7.565 1.00 . A A . 13 LYS HG3 1 1 12 3300 1 1 13 LYS HZ1 H -0.770 4.816 -11.076 1.00 . A A . 13 LYS HZ1 1 1 12 3301 1 1 13 LYS HZ2 H -1.117 6.435 -10.734 1.00 . A A . 13 LYS HZ2 1 1 12 3302 1 1 13 LYS HZ3 H -1.931 5.644 -11.988 1.00 . A A . 13 LYS HZ3 1 1 12 3303 1 1 13 LYS N N -5.037 5.315 -5.388 1.00 . A A . 13 LYS N 1 1 12 3304 1 1 13 LYS NZ N -1.527 5.529 -11.036 1.00 . A A . 13 LYS NZ 1 1 12 3305 1 1 13 LYS O O -3.276 3.248 -4.509 1.00 . A A . 13 LYS O 1 1 12 3306 1 1 14 CYS C C -2.572 0.464 -5.142 1.00 . A A . 14 CYS C 1 1 12 3307 1 1 14 CYS CA C -4.084 0.639 -5.025 1.00 . A A . 14 CYS CA 1 1 12 3308 1 1 14 CYS CB C -4.790 -0.603 -5.572 1.00 . A A . 14 CYS CB 1 1 12 3309 1 1 14 CYS H H -5.173 1.740 -6.469 1.00 . A A . 14 CYS H 1 1 12 3310 1 1 14 CYS HA H -4.340 0.757 -3.983 1.00 . A A . 14 CYS HA 1 1 12 3311 1 1 14 CYS HB2 H -4.563 -0.703 -6.623 1.00 . A A . 14 CYS HB2 1 1 12 3312 1 1 14 CYS HB3 H -4.422 -1.474 -5.049 1.00 . A A . 14 CYS HB3 1 1 12 3313 1 1 14 CYS N N -4.530 1.835 -5.736 1.00 . A A . 14 CYS N 1 1 12 3314 1 1 14 CYS O O -1.984 0.746 -6.186 1.00 . A A . 14 CYS O 1 1 12 3315 1 1 14 CYS SG S -6.606 -0.583 -5.402 1.00 . A A . 14 CYS SG 1 1 12 3316 1 1 15 GLY C C -0.036 -0.934 -2.813 1.00 . A A . 15 GLY C 1 1 12 3317 1 1 15 GLY CA C -0.515 -0.218 -4.062 1.00 . A A . 15 GLY CA 1 1 12 3318 1 1 15 GLY H H -2.476 -0.218 -3.263 1.00 . A A . 15 GLY H 1 1 12 3319 1 1 15 GLY HA2 H -0.247 -0.807 -4.926 1.00 . A A . 15 GLY HA2 1 1 12 3320 1 1 15 GLY HA3 H -0.021 0.740 -4.125 1.00 . A A . 15 GLY HA3 1 1 12 3321 1 1 15 GLY N N -1.953 -0.008 -4.063 1.00 . A A . 15 GLY N 1 1 12 3322 1 1 15 GLY O O -0.319 -0.505 -1.696 1.00 . A A . 15 GLY O 1 1 12 3323 1 1 16 MET C C 2.035 -1.960 -0.945 1.00 . A A . 16 MET C 1 1 12 3324 1 1 16 MET CA C 1.217 -2.824 -1.902 1.00 . A A . 16 MET CA 1 1 12 3325 1 1 16 MET CB C 2.081 -3.970 -2.437 1.00 . A A . 16 MET CB 1 1 12 3326 1 1 16 MET CE C 2.773 -3.866 -5.538 1.00 . A A . 16 MET CE 1 1 12 3327 1 1 16 MET CG C 1.352 -4.903 -3.395 1.00 . A A . 16 MET CG 1 1 12 3328 1 1 16 MET H H 0.879 -2.317 -3.926 1.00 . A A . 16 MET H 1 1 12 3329 1 1 16 MET HA H 0.379 -3.239 -1.365 1.00 . A A . 16 MET HA 1 1 12 3330 1 1 16 MET HB2 H 2.930 -3.551 -2.956 1.00 . A A . 16 MET HB2 1 1 12 3331 1 1 16 MET HB3 H 2.435 -4.554 -1.603 1.00 . A A . 16 MET HB3 1 1 12 3332 1 1 16 MET HE1 H 2.771 -3.314 -6.466 1.00 . A A . 16 MET HE1 1 1 12 3333 1 1 16 MET HE2 H 3.288 -4.805 -5.679 1.00 . A A . 16 MET HE2 1 1 12 3334 1 1 16 MET HE3 H 3.278 -3.289 -4.777 1.00 . A A . 16 MET HE3 1 1 12 3335 1 1 16 MET HG2 H 1.933 -5.804 -3.509 1.00 . A A . 16 MET HG2 1 1 12 3336 1 1 16 MET HG3 H 0.392 -5.148 -2.969 1.00 . A A . 16 MET HG3 1 1 12 3337 1 1 16 MET N N 0.692 -2.031 -3.010 1.00 . A A . 16 MET N 1 1 12 3338 1 1 16 MET O O 2.797 -1.094 -1.376 1.00 . A A . 16 MET O 1 1 12 3339 1 1 16 MET SD S 1.086 -4.180 -5.027 1.00 . A A . 16 MET SD 1 1 12 3340 1 1 17 CYS C C 3.406 -2.325 2.296 1.00 . A A . 17 CYS C 1 1 12 3341 1 1 17 CYS CA C 2.595 -1.424 1.366 1.00 . A A . 17 CYS CA 1 1 12 3342 1 1 17 CYS CB C 1.620 -0.596 2.206 1.00 . A A . 17 CYS CB 1 1 12 3343 1 1 17 CYS H H 1.242 -2.895 0.644 1.00 . A A . 17 CYS H 1 1 12 3344 1 1 17 CYS HA H 3.268 -0.756 0.852 1.00 . A A . 17 CYS HA 1 1 12 3345 1 1 17 CYS HB2 H 0.936 -1.262 2.708 1.00 . A A . 17 CYS HB2 1 1 12 3346 1 1 17 CYS HB3 H 2.181 -0.043 2.947 1.00 . A A . 17 CYS HB3 1 1 12 3347 1 1 17 CYS N N 1.868 -2.195 0.357 1.00 . A A . 17 CYS N 1 1 12 3348 1 1 17 CYS O O 2.853 -3.177 2.990 1.00 . A A . 17 CYS O 1 1 12 3349 1 1 17 CYS SG S 0.625 0.600 1.262 1.00 . A A . 17 CYS SG 1 1 12 3350 1 1 18 CYS C C 6.361 -1.951 4.150 1.00 . A A . 18 CYS C 1 1 12 3351 1 1 18 CYS CA C 5.608 -2.872 3.198 1.00 . A A . 18 CYS CA 1 1 12 3352 1 1 18 CYS CB C 6.602 -3.705 2.384 1.00 . A A . 18 CYS CB 1 1 12 3353 1 1 18 CYS H H 5.096 -1.395 1.769 1.00 . A A . 18 CYS H 1 1 12 3354 1 1 18 CYS HA H 4.993 -3.540 3.784 1.00 . A A . 18 CYS HA 1 1 12 3355 1 1 18 CYS HB2 H 6.783 -3.214 1.440 1.00 . A A . 18 CYS HB2 1 1 12 3356 1 1 18 CYS HB3 H 7.532 -3.777 2.932 1.00 . A A . 18 CYS HB3 1 1 12 3357 1 1 18 CYS N N 4.718 -2.107 2.328 1.00 . A A . 18 CYS N 1 1 12 3358 1 1 18 CYS O O 6.748 -0.843 3.775 1.00 . A A . 18 CYS O 1 1 12 3359 1 1 18 CYS SG S 6.036 -5.401 2.027 1.00 . A A . 18 CYS SG 1 1 12 3360 1 1 19 LYS C C 8.470 -0.915 5.814 1.00 . A A . 19 LYS C 1 1 12 3361 1 1 19 LYS CA C 7.266 -1.648 6.404 1.00 . A A . 19 LYS CA 1 1 12 3362 1 1 19 LYS CB C 7.732 -2.567 7.542 1.00 . A A . 19 LYS CB 1 1 12 3363 1 1 19 LYS CD C 8.401 -4.556 6.130 1.00 . A A . 19 LYS CD 1 1 12 3364 1 1 19 LYS CE C 9.540 -5.476 5.722 1.00 . A A . 19 LYS CE 1 1 12 3365 1 1 19 LYS CG C 8.855 -3.526 7.153 1.00 . A A . 19 LYS CG 1 1 12 3366 1 1 19 LYS H H 6.215 -3.307 5.610 1.00 . A A . 19 LYS H 1 1 12 3367 1 1 19 LYS HA H 6.577 -0.920 6.803 1.00 . A A . 19 LYS HA 1 1 12 3368 1 1 19 LYS HB2 H 8.081 -1.955 8.359 1.00 . A A . 19 LYS HB2 1 1 12 3369 1 1 19 LYS HB3 H 6.889 -3.154 7.879 1.00 . A A . 19 LYS HB3 1 1 12 3370 1 1 19 LYS HD2 H 7.608 -5.151 6.556 1.00 . A A . 19 LYS HD2 1 1 12 3371 1 1 19 LYS HD3 H 8.039 -4.042 5.252 1.00 . A A . 19 LYS HD3 1 1 12 3372 1 1 19 LYS HE2 H 10.304 -4.885 5.241 1.00 . A A . 19 LYS HE2 1 1 12 3373 1 1 19 LYS HE3 H 9.947 -5.940 6.609 1.00 . A A . 19 LYS HE3 1 1 12 3374 1 1 19 LYS HG2 H 9.669 -2.955 6.732 1.00 . A A . 19 LYS HG2 1 1 12 3375 1 1 19 LYS HG3 H 9.197 -4.038 8.041 1.00 . A A . 19 LYS HG3 1 1 12 3376 1 1 19 LYS HZ1 H 8.090 -6.772 4.959 1.00 . A A . 19 LYS HZ1 1 1 12 3377 1 1 19 LYS HZ2 H 9.661 -7.396 4.909 1.00 . A A . 19 LYS HZ2 1 1 12 3378 1 1 19 LYS HZ3 H 9.187 -6.210 3.799 1.00 . A A . 19 LYS HZ3 1 1 12 3379 1 1 19 LYS N N 6.560 -2.418 5.381 1.00 . A A . 19 LYS N 1 1 12 3380 1 1 19 LYS NZ N 9.088 -6.537 4.782 1.00 . A A . 19 LYS NZ 1 1 12 3381 1 1 19 LYS O O 9.205 -1.467 4.994 1.00 . A A . 19 LYS O 1 1 12 3382 1 1 20 THR C C 11.108 0.487 6.051 1.00 . A A . 20 THR C 1 1 12 3383 1 1 20 THR CA C 9.767 1.146 5.746 1.00 . A A . 20 THR CA 1 1 12 3384 1 1 20 THR CB C 9.748 2.554 6.370 1.00 . A A . 20 THR CB 1 1 12 3385 1 1 20 THR CG2 C 8.464 3.287 6.011 1.00 . A A . 20 THR CG2 1 1 12 3386 1 1 20 THR H H 8.035 0.718 6.884 1.00 . A A . 20 THR H 1 1 12 3387 1 1 20 THR HA H 9.663 1.248 4.675 1.00 . A A . 20 THR HA 1 1 12 3388 1 1 20 THR HB H 10.586 3.115 5.981 1.00 . A A . 20 THR HB 1 1 12 3389 1 1 20 THR HG1 H 10.793 2.526 8.043 1.00 . A A . 20 THR HG1 1 1 12 3390 1 1 20 THR HG21 H 8.483 4.278 6.440 1.00 . A A . 20 THR HG21 1 1 12 3391 1 1 20 THR HG22 H 7.618 2.742 6.402 1.00 . A A . 20 THR HG22 1 1 12 3392 1 1 20 THR HG23 H 8.380 3.359 4.937 1.00 . A A . 20 THR HG23 1 1 12 3393 1 1 20 THR N N 8.659 0.333 6.233 1.00 . A A . 20 THR N 1 1 12 3394 1 1 20 THR O O 11.989 0.503 5.166 1.00 . A A . 20 THR O 1 1 12 3395 1 1 20 THR OXT O 11.268 -0.038 7.174 1.00 . A A . 20 THR OXT 1 1 12 3396 1 1 20 THR OG1 O 9.868 2.460 7.795 1.00 . A A . 20 THR OG1 1 1 13 3397 1 1 1 ILE C C 3.339 -8.353 1.418 1.00 . A A . 1 ILE C 1 1 13 3398 1 1 1 ILE CA C 3.786 -9.673 0.799 1.00 . A A . 1 ILE CA 1 1 13 3399 1 1 1 ILE CB C 2.547 -10.413 0.254 1.00 . A A . 1 ILE CB 1 1 13 3400 1 1 1 ILE CD1 C 0.341 -11.491 0.948 1.00 . A A . 1 ILE CD1 1 1 13 3401 1 1 1 ILE CG1 C 1.622 -10.823 1.403 1.00 . A A . 1 ILE CG1 1 1 13 3402 1 1 1 ILE CG2 C 2.971 -11.630 -0.555 1.00 . A A . 1 ILE CG2 1 1 13 3403 1 1 1 ILE H1 H 4.317 -11.514 1.622 1.00 . A A . 1 ILE H1 1 1 13 3404 1 1 1 ILE H2 H 4.233 -10.256 2.750 1.00 . A A . 1 ILE H2 1 1 13 3405 1 1 1 ILE H3 H 5.547 -10.352 1.689 1.00 . A A . 1 ILE H3 1 1 13 3406 1 1 1 ILE HA H 4.447 -9.462 -0.029 1.00 . A A . 1 ILE HA 1 1 13 3407 1 1 1 ILE HB H 2.016 -9.741 -0.405 1.00 . A A . 1 ILE HB 1 1 13 3408 1 1 1 ILE HD11 H 0.035 -11.074 -0.001 1.00 . A A . 1 ILE HD11 1 1 13 3409 1 1 1 ILE HD12 H -0.433 -11.320 1.682 1.00 . A A . 1 ILE HD12 1 1 13 3410 1 1 1 ILE HD13 H 0.507 -12.551 0.839 1.00 . A A . 1 ILE HD13 1 1 13 3411 1 1 1 ILE HG12 H 2.144 -11.516 2.045 1.00 . A A . 1 ILE HG12 1 1 13 3412 1 1 1 ILE HG13 H 1.356 -9.944 1.971 1.00 . A A . 1 ILE HG13 1 1 13 3413 1 1 1 ILE HG21 H 3.949 -11.458 -0.978 1.00 . A A . 1 ILE HG21 1 1 13 3414 1 1 1 ILE HG22 H 2.259 -11.801 -1.350 1.00 . A A . 1 ILE HG22 1 1 13 3415 1 1 1 ILE HG23 H 3.004 -12.496 0.090 1.00 . A A . 1 ILE HG23 1 1 13 3416 1 1 1 ILE N N 4.521 -10.507 1.783 1.00 . A A . 1 ILE N 1 1 13 3417 1 1 1 ILE O O 2.787 -8.327 2.519 1.00 . A A . 1 ILE O 1 1 13 3418 1 1 2 CYS C C 1.673 -5.786 1.160 1.00 . A A . 2 CYS C 1 1 13 3419 1 1 2 CYS CA C 3.191 -5.941 1.188 1.00 . A A . 2 CYS CA 1 1 13 3420 1 1 2 CYS CB C 3.835 -4.846 0.334 1.00 . A A . 2 CYS CB 1 1 13 3421 1 1 2 CYS H H 4.018 -7.338 -0.165 1.00 . A A . 2 CYS H 1 1 13 3422 1 1 2 CYS HA H 3.536 -5.843 2.203 1.00 . A A . 2 CYS HA 1 1 13 3423 1 1 2 CYS HB2 H 3.444 -4.909 -0.669 1.00 . A A . 2 CYS HB2 1 1 13 3424 1 1 2 CYS HB3 H 3.580 -3.884 0.752 1.00 . A A . 2 CYS HB3 1 1 13 3425 1 1 2 CYS N N 3.578 -7.258 0.705 1.00 . A A . 2 CYS N 1 1 13 3426 1 1 2 CYS O O 1.034 -6.022 0.131 1.00 . A A . 2 CYS O 1 1 13 3427 1 1 2 CYS SG S 5.653 -4.936 0.223 1.00 . A A . 2 CYS SG 1 1 13 3428 1 1 3 ILE C C -0.790 -4.122 1.366 1.00 . A A . 3 ILE C 1 1 13 3429 1 1 3 ILE CA C -0.347 -5.195 2.354 1.00 . A A . 3 ILE CA 1 1 13 3430 1 1 3 ILE CB C -0.819 -4.829 3.778 1.00 . A A . 3 ILE CB 1 1 13 3431 1 1 3 ILE CD1 C -0.497 -3.176 5.695 1.00 . A A . 3 ILE CD1 1 1 13 3432 1 1 3 ILE CG1 C -0.074 -3.598 4.303 1.00 . A A . 3 ILE CG1 1 1 13 3433 1 1 3 ILE CG2 C -0.625 -6.013 4.715 1.00 . A A . 3 ILE CG2 1 1 13 3434 1 1 3 ILE H H 1.642 -5.198 3.072 1.00 . A A . 3 ILE H 1 1 13 3435 1 1 3 ILE HA H -0.811 -6.131 2.076 1.00 . A A . 3 ILE HA 1 1 13 3436 1 1 3 ILE HB H -1.876 -4.610 3.733 1.00 . A A . 3 ILE HB 1 1 13 3437 1 1 3 ILE HD11 H -0.188 -2.156 5.871 1.00 . A A . 3 ILE HD11 1 1 13 3438 1 1 3 ILE HD12 H -0.032 -3.824 6.424 1.00 . A A . 3 ILE HD12 1 1 13 3439 1 1 3 ILE HD13 H -1.571 -3.247 5.782 1.00 . A A . 3 ILE HD13 1 1 13 3440 1 1 3 ILE HG12 H 0.983 -3.808 4.327 1.00 . A A . 3 ILE HG12 1 1 13 3441 1 1 3 ILE HG13 H -0.255 -2.768 3.636 1.00 . A A . 3 ILE HG13 1 1 13 3442 1 1 3 ILE HG21 H 0.342 -6.461 4.532 1.00 . A A . 3 ILE HG21 1 1 13 3443 1 1 3 ILE HG22 H -1.399 -6.744 4.536 1.00 . A A . 3 ILE HG22 1 1 13 3444 1 1 3 ILE HG23 H -0.678 -5.675 5.739 1.00 . A A . 3 ILE HG23 1 1 13 3445 1 1 3 ILE N N 1.093 -5.380 2.284 1.00 . A A . 3 ILE N 1 1 13 3446 1 1 3 ILE O O -0.680 -2.924 1.630 1.00 . A A . 3 ILE O 1 1 13 3447 1 1 4 PHE C C -2.741 -2.670 -0.295 1.00 . A A . 4 PHE C 1 1 13 3448 1 1 4 PHE CA C -1.721 -3.671 -0.843 1.00 . A A . 4 PHE CA 1 1 13 3449 1 1 4 PHE CB C -2.330 -4.492 -1.987 1.00 . A A . 4 PHE CB 1 1 13 3450 1 1 4 PHE CD1 C -1.105 -3.126 -3.708 1.00 . A A . 4 PHE CD1 1 1 13 3451 1 1 4 PHE CD2 C -3.255 -3.990 -4.267 1.00 . A A . 4 PHE CD2 1 1 13 3452 1 1 4 PHE CE1 C -1.007 -2.550 -4.961 1.00 . A A . 4 PHE CE1 1 1 13 3453 1 1 4 PHE CE2 C -3.162 -3.420 -5.522 1.00 . A A . 4 PHE CE2 1 1 13 3454 1 1 4 PHE CG C -2.230 -3.850 -3.345 1.00 . A A . 4 PHE CG 1 1 13 3455 1 1 4 PHE CZ C -2.036 -2.698 -5.869 1.00 . A A . 4 PHE CZ 1 1 13 3456 1 1 4 PHE H H -1.309 -5.539 0.065 1.00 . A A . 4 PHE H 1 1 13 3457 1 1 4 PHE HA H -0.858 -3.132 -1.207 1.00 . A A . 4 PHE HA 1 1 13 3458 1 1 4 PHE HB2 H -1.828 -5.446 -2.038 1.00 . A A . 4 PHE HB2 1 1 13 3459 1 1 4 PHE HB3 H -3.378 -4.657 -1.776 1.00 . A A . 4 PHE HB3 1 1 13 3460 1 1 4 PHE HD1 H -0.299 -3.008 -2.999 1.00 . A A . 4 PHE HD1 1 1 13 3461 1 1 4 PHE HD2 H -4.137 -4.551 -3.996 1.00 . A A . 4 PHE HD2 1 1 13 3462 1 1 4 PHE HE1 H -0.125 -1.986 -5.229 1.00 . A A . 4 PHE HE1 1 1 13 3463 1 1 4 PHE HE2 H -3.968 -3.537 -6.230 1.00 . A A . 4 PHE HE2 1 1 13 3464 1 1 4 PHE HZ H -1.960 -2.252 -6.850 1.00 . A A . 4 PHE HZ 1 1 13 3465 1 1 4 PHE N N -1.271 -4.572 0.214 1.00 . A A . 4 PHE N 1 1 13 3466 1 1 4 PHE O O -3.932 -2.964 -0.211 1.00 . A A . 4 PHE O 1 1 13 3467 1 1 5 CYS C C -3.935 0.253 -0.415 1.00 . A A . 5 CYS C 1 1 13 3468 1 1 5 CYS CA C -3.100 -0.442 0.655 1.00 . A A . 5 CYS CA 1 1 13 3469 1 1 5 CYS CB C -2.243 0.605 1.369 1.00 . A A . 5 CYS CB 1 1 13 3470 1 1 5 CYS H H -1.289 -1.333 0.007 1.00 . A A . 5 CYS H 1 1 13 3471 1 1 5 CYS HA H -3.763 -0.899 1.374 1.00 . A A . 5 CYS HA 1 1 13 3472 1 1 5 CYS HB2 H -1.575 1.058 0.653 1.00 . A A . 5 CYS HB2 1 1 13 3473 1 1 5 CYS HB3 H -2.891 1.367 1.778 1.00 . A A . 5 CYS HB3 1 1 13 3474 1 1 5 CYS N N -2.251 -1.494 0.092 1.00 . A A . 5 CYS N 1 1 13 3475 1 1 5 CYS O O -3.425 1.077 -1.171 1.00 . A A . 5 CYS O 1 1 13 3476 1 1 5 CYS SG S -1.225 -0.043 2.730 1.00 . A A . 5 CYS SG 1 1 13 3477 1 1 6 CYS C C -6.685 1.875 -0.904 1.00 . A A . 6 CYS C 1 1 13 3478 1 1 6 CYS CA C -6.121 0.558 -1.428 1.00 . A A . 6 CYS CA 1 1 13 3479 1 1 6 CYS CB C -7.249 -0.399 -1.807 1.00 . A A . 6 CYS CB 1 1 13 3480 1 1 6 CYS H H -5.581 -0.709 0.181 1.00 . A A . 6 CYS H 1 1 13 3481 1 1 6 CYS HA H -5.539 0.771 -2.312 1.00 . A A . 6 CYS HA 1 1 13 3482 1 1 6 CYS HB2 H -7.641 -0.855 -0.910 1.00 . A A . 6 CYS HB2 1 1 13 3483 1 1 6 CYS HB3 H -8.034 0.158 -2.296 1.00 . A A . 6 CYS HB3 1 1 13 3484 1 1 6 CYS N N -5.223 -0.060 -0.460 1.00 . A A . 6 CYS N 1 1 13 3485 1 1 6 CYS O O -7.878 1.985 -0.618 1.00 . A A . 6 CYS O 1 1 13 3486 1 1 6 CYS SG S -6.728 -1.735 -2.930 1.00 . A A . 6 CYS SG 1 1 13 3487 1 1 7 GLY C C -6.397 4.230 1.201 1.00 . A A . 7 GLY C 1 1 13 3488 1 1 7 GLY CA C -6.235 4.179 -0.305 1.00 . A A . 7 GLY CA 1 1 13 3489 1 1 7 GLY H H -4.879 2.724 -1.035 1.00 . A A . 7 GLY H 1 1 13 3490 1 1 7 GLY HA2 H -5.498 4.910 -0.600 1.00 . A A . 7 GLY HA2 1 1 13 3491 1 1 7 GLY HA3 H -7.178 4.431 -0.765 1.00 . A A . 7 GLY HA3 1 1 13 3492 1 1 7 GLY N N -5.815 2.874 -0.786 1.00 . A A . 7 GLY N 1 1 13 3493 1 1 7 GLY O O -7.378 4.775 1.706 1.00 . A A . 7 GLY O 1 1 13 3494 1 1 8 CYS C C -5.207 5.042 3.925 1.00 . A A . 8 CYS C 1 1 13 3495 1 1 8 CYS CA C -5.472 3.667 3.380 1.00 . A A . 8 CYS CA 1 1 13 3496 1 1 8 CYS CB C -4.381 2.755 3.971 1.00 . A A . 8 CYS CB 1 1 13 3497 1 1 8 CYS H H -4.669 3.256 1.463 1.00 . A A . 8 CYS H 1 1 13 3498 1 1 8 CYS HA H -6.442 3.325 3.702 1.00 . A A . 8 CYS HA 1 1 13 3499 1 1 8 CYS HB2 H -4.601 2.577 5.013 1.00 . A A . 8 CYS HB2 1 1 13 3500 1 1 8 CYS HB3 H -4.390 1.813 3.444 1.00 . A A . 8 CYS HB3 1 1 13 3501 1 1 8 CYS N N -5.429 3.670 1.921 1.00 . A A . 8 CYS N 1 1 13 3502 1 1 8 CYS O O -5.893 5.535 4.822 1.00 . A A . 8 CYS O 1 1 13 3503 1 1 8 CYS SG S -2.664 3.435 3.875 1.00 . A A . 8 CYS SG 1 1 13 3504 1 1 9 CYS C C -3.333 7.819 2.775 1.00 . A A . 9 CYS C 1 1 13 3505 1 1 9 CYS CA C -3.614 6.839 3.915 1.00 . A A . 9 CYS CA 1 1 13 3506 1 1 9 CYS CB C -2.351 6.467 4.676 1.00 . A A . 9 CYS CB 1 1 13 3507 1 1 9 CYS H H -3.589 5.086 2.788 1.00 . A A . 9 CYS H 1 1 13 3508 1 1 9 CYS HA H -4.328 7.267 4.598 1.00 . A A . 9 CYS HA 1 1 13 3509 1 1 9 CYS HB2 H -1.510 6.470 3.997 1.00 . A A . 9 CYS HB2 1 1 13 3510 1 1 9 CYS HB3 H -2.183 7.184 5.464 1.00 . A A . 9 CYS HB3 1 1 13 3511 1 1 9 CYS N N -4.118 5.589 3.441 1.00 . A A . 9 CYS N 1 1 13 3512 1 1 9 CYS O O -3.846 8.938 2.766 1.00 . A A . 9 CYS O 1 1 13 3513 1 1 9 CYS SG S -2.464 4.795 5.445 1.00 . A A . 9 CYS SG 1 1 13 3514 1 1 10 HIS C C -3.312 8.306 -0.318 1.00 . A A . 10 HIS C 1 1 13 3515 1 1 10 HIS CA C -2.155 8.219 0.677 1.00 . A A . 10 HIS CA 1 1 13 3516 1 1 10 HIS CB C -0.909 7.654 -0.011 1.00 . A A . 10 HIS CB 1 1 13 3517 1 1 10 HIS CD2 C 1.040 6.521 1.273 1.00 . A A . 10 HIS CD2 1 1 13 3518 1 1 10 HIS CE1 C 1.883 8.310 2.221 1.00 . A A . 10 HIS CE1 1 1 13 3519 1 1 10 HIS CG C 0.288 7.580 0.886 1.00 . A A . 10 HIS CG 1 1 13 3520 1 1 10 HIS H H -2.136 6.484 1.891 1.00 . A A . 10 HIS H 1 1 13 3521 1 1 10 HIS HA H -1.936 9.210 1.043 1.00 . A A . 10 HIS HA 1 1 13 3522 1 1 10 HIS HB2 H -1.121 6.656 -0.363 1.00 . A A . 10 HIS HB2 1 1 13 3523 1 1 10 HIS HB3 H -0.655 8.282 -0.853 1.00 . A A . 10 HIS HB3 1 1 13 3524 1 1 10 HIS HD1 H 0.523 9.607 1.411 1.00 . A A . 10 HIS HD1 1 1 13 3525 1 1 10 HIS HD2 H 0.892 5.489 0.984 1.00 . A A . 10 HIS HD2 1 1 13 3526 1 1 10 HIS HE1 H 2.511 8.962 2.810 1.00 . A A . 10 HIS HE1 1 1 13 3527 1 1 10 HIS HE2 H 2.696 6.460 2.563 1.00 . A A . 10 HIS HE2 1 1 13 3528 1 1 10 HIS N N -2.513 7.387 1.821 1.00 . A A . 10 HIS N 1 1 13 3529 1 1 10 HIS ND1 N 0.843 8.684 1.497 1.00 . A A . 10 HIS ND1 1 1 13 3530 1 1 10 HIS NE2 N 2.023 7.002 2.103 1.00 . A A . 10 HIS NE2 1 1 13 3531 1 1 10 HIS O O -4.474 8.403 0.077 1.00 . A A . 10 HIS O 1 1 13 3532 1 1 11 ARG C C -4.950 7.143 -2.561 1.00 . A A . 11 ARG C 1 1 13 3533 1 1 11 ARG CA C -4.003 8.330 -2.656 1.00 . A A . 11 ARG CA 1 1 13 3534 1 1 11 ARG CB C -3.351 8.362 -4.040 1.00 . A A . 11 ARG CB 1 1 13 3535 1 1 11 ARG CD C -1.919 9.596 -5.692 1.00 . A A . 11 ARG CD 1 1 13 3536 1 1 11 ARG CG C -2.475 9.582 -4.276 1.00 . A A . 11 ARG CG 1 1 13 3537 1 1 11 ARG CZ C -0.543 8.173 -7.154 1.00 . A A . 11 ARG CZ 1 1 13 3538 1 1 11 ARG H H -2.048 8.181 -1.867 1.00 . A A . 11 ARG H 1 1 13 3539 1 1 11 ARG HA H -4.569 9.239 -2.512 1.00 . A A . 11 ARG HA 1 1 13 3540 1 1 11 ARG HB2 H -2.739 7.481 -4.155 1.00 . A A . 11 ARG HB2 1 1 13 3541 1 1 11 ARG HB3 H -4.126 8.352 -4.791 1.00 . A A . 11 ARG HB3 1 1 13 3542 1 1 11 ARG HD2 H -2.742 9.630 -6.388 1.00 . A A . 11 ARG HD2 1 1 13 3543 1 1 11 ARG HD3 H -1.308 10.478 -5.815 1.00 . A A . 11 ARG HD3 1 1 13 3544 1 1 11 ARG HE H -0.980 7.767 -5.250 1.00 . A A . 11 ARG HE 1 1 13 3545 1 1 11 ARG HG2 H -3.066 10.472 -4.124 1.00 . A A . 11 ARG HG2 1 1 13 3546 1 1 11 ARG HG3 H -1.655 9.566 -3.575 1.00 . A A . 11 ARG HG3 1 1 13 3547 1 1 11 ARG HH11 H -1.241 9.860 -8.023 1.00 . A A . 11 ARG HH11 1 1 13 3548 1 1 11 ARG HH12 H -0.274 8.846 -9.042 1.00 . A A . 11 ARG HH12 1 1 13 3549 1 1 11 ARG HH21 H 0.302 6.430 -6.581 1.00 . A A . 11 ARG HH21 1 1 13 3550 1 1 11 ARG HH22 H 0.604 6.897 -8.221 1.00 . A A . 11 ARG HH22 1 1 13 3551 1 1 11 ARG N N -2.990 8.264 -1.611 1.00 . A A . 11 ARG N 1 1 13 3552 1 1 11 ARG NE N -1.109 8.414 -5.975 1.00 . A A . 11 ARG NE 1 1 13 3553 1 1 11 ARG NH1 N -0.698 9.030 -8.155 1.00 . A A . 11 ARG NH1 1 1 13 3554 1 1 11 ARG NH2 N 0.181 7.077 -7.333 1.00 . A A . 11 ARG NH2 1 1 13 3555 1 1 11 ARG O O -4.582 6.084 -2.052 1.00 . A A . 11 ARG O 1 1 13 3556 1 1 12 SER C C -6.650 5.027 -3.745 1.00 . A A . 12 SER C 1 1 13 3557 1 1 12 SER CA C -7.171 6.269 -3.033 1.00 . A A . 12 SER CA 1 1 13 3558 1 1 12 SER CB C -8.466 6.747 -3.690 1.00 . A A . 12 SER CB 1 1 13 3559 1 1 12 SER H H -6.397 8.190 -3.453 1.00 . A A . 12 SER H 1 1 13 3560 1 1 12 SER HA H -7.369 6.023 -2.000 1.00 . A A . 12 SER HA 1 1 13 3561 1 1 12 SER HB2 H -9.206 5.962 -3.637 1.00 . A A . 12 SER HB2 1 1 13 3562 1 1 12 SER HB3 H -8.831 7.620 -3.169 1.00 . A A . 12 SER HB3 1 1 13 3563 1 1 12 SER HG H -7.819 7.936 -5.106 1.00 . A A . 12 SER HG 1 1 13 3564 1 1 12 SER N N -6.168 7.326 -3.057 1.00 . A A . 12 SER N 1 1 13 3565 1 1 12 SER O O -6.996 3.901 -3.386 1.00 . A A . 12 SER O 1 1 13 3566 1 1 12 SER OG O -8.256 7.083 -5.050 1.00 . A A . 12 SER OG 1 1 13 3567 1 1 13 LYS C C -4.512 3.158 -4.627 1.00 . A A . 13 LYS C 1 1 13 3568 1 1 13 LYS CA C -5.241 4.149 -5.530 1.00 . A A . 13 LYS CA 1 1 13 3569 1 1 13 LYS CB C -4.272 4.680 -6.589 1.00 . A A . 13 LYS CB 1 1 13 3570 1 1 13 LYS CD C -3.971 5.869 -8.783 1.00 . A A . 13 LYS CD 1 1 13 3571 1 1 13 LYS CE C -3.512 4.608 -9.503 1.00 . A A . 13 LYS CE 1 1 13 3572 1 1 13 LYS CG C -4.935 5.543 -7.650 1.00 . A A . 13 LYS CG 1 1 13 3573 1 1 13 LYS H H -5.584 6.171 -4.991 1.00 . A A . 13 LYS H 1 1 13 3574 1 1 13 LYS HA H -6.050 3.635 -6.026 1.00 . A A . 13 LYS HA 1 1 13 3575 1 1 13 LYS HB2 H -3.514 5.272 -6.098 1.00 . A A . 13 LYS HB2 1 1 13 3576 1 1 13 LYS HB3 H -3.800 3.843 -7.080 1.00 . A A . 13 LYS HB3 1 1 13 3577 1 1 13 LYS HD2 H -4.469 6.513 -9.492 1.00 . A A . 13 LYS HD2 1 1 13 3578 1 1 13 LYS HD3 H -3.109 6.375 -8.375 1.00 . A A . 13 LYS HD3 1 1 13 3579 1 1 13 LYS HE2 H -3.039 3.953 -8.787 1.00 . A A . 13 LYS HE2 1 1 13 3580 1 1 13 LYS HE3 H -4.377 4.114 -9.923 1.00 . A A . 13 LYS HE3 1 1 13 3581 1 1 13 LYS HG2 H -5.784 5.013 -8.054 1.00 . A A . 13 LYS HG2 1 1 13 3582 1 1 13 LYS HG3 H -5.266 6.465 -7.195 1.00 . A A . 13 LYS HG3 1 1 13 3583 1 1 13 LYS HZ1 H -2.213 4.021 -11.031 1.00 . A A . 13 LYS HZ1 1 1 13 3584 1 1 13 LYS HZ2 H -1.726 5.423 -10.218 1.00 . A A . 13 LYS HZ2 1 1 13 3585 1 1 13 LYS HZ3 H -3.002 5.490 -11.326 1.00 . A A . 13 LYS HZ3 1 1 13 3586 1 1 13 LYS N N -5.817 5.246 -4.758 1.00 . A A . 13 LYS N 1 1 13 3587 1 1 13 LYS NZ N -2.546 4.906 -10.596 1.00 . A A . 13 LYS NZ 1 1 13 3588 1 1 13 LYS O O -3.827 3.550 -3.683 1.00 . A A . 13 LYS O 1 1 13 3589 1 1 14 CYS C C -2.506 0.912 -4.252 1.00 . A A . 14 CYS C 1 1 13 3590 1 1 14 CYS CA C -4.027 0.815 -4.158 1.00 . A A . 14 CYS CA 1 1 13 3591 1 1 14 CYS CB C -4.498 -0.555 -4.647 1.00 . A A . 14 CYS CB 1 1 13 3592 1 1 14 CYS H H -5.224 1.630 -5.700 1.00 . A A . 14 CYS H 1 1 13 3593 1 1 14 CYS HA H -4.316 0.937 -3.126 1.00 . A A . 14 CYS HA 1 1 13 3594 1 1 14 CYS HB2 H -4.139 -0.712 -5.653 1.00 . A A . 14 CYS HB2 1 1 13 3595 1 1 14 CYS HB3 H -4.088 -1.318 -4.002 1.00 . A A . 14 CYS HB3 1 1 13 3596 1 1 14 CYS N N -4.666 1.873 -4.932 1.00 . A A . 14 CYS N 1 1 13 3597 1 1 14 CYS O O -1.960 1.323 -5.277 1.00 . A A . 14 CYS O 1 1 13 3598 1 1 14 CYS SG S -6.311 -0.764 -4.669 1.00 . A A . 14 CYS SG 1 1 13 3599 1 1 15 GLY C C 0.176 -0.332 -2.056 1.00 . A A . 15 GLY C 1 1 13 3600 1 1 15 GLY CA C -0.382 0.574 -3.133 1.00 . A A . 15 GLY CA 1 1 13 3601 1 1 15 GLY H H -2.329 0.211 -2.390 1.00 . A A . 15 GLY H 1 1 13 3602 1 1 15 GLY HA2 H 0.005 0.262 -4.092 1.00 . A A . 15 GLY HA2 1 1 13 3603 1 1 15 GLY HA3 H -0.065 1.587 -2.938 1.00 . A A . 15 GLY HA3 1 1 13 3604 1 1 15 GLY N N -1.833 0.530 -3.172 1.00 . A A . 15 GLY N 1 1 13 3605 1 1 15 GLY O O -0.137 -0.172 -0.878 1.00 . A A . 15 GLY O 1 1 13 3606 1 1 16 MET C C 2.283 -1.582 -0.377 1.00 . A A . 16 MET C 1 1 13 3607 1 1 16 MET CA C 1.583 -2.261 -1.549 1.00 . A A . 16 MET CA 1 1 13 3608 1 1 16 MET CB C 2.570 -3.156 -2.301 1.00 . A A . 16 MET CB 1 1 13 3609 1 1 16 MET CE C 3.764 -4.074 -5.108 1.00 . A A . 16 MET CE 1 1 13 3610 1 1 16 MET CG C 3.743 -2.397 -2.903 1.00 . A A . 16 MET CG 1 1 13 3611 1 1 16 MET H H 1.184 -1.372 -3.427 1.00 . A A . 16 MET H 1 1 13 3612 1 1 16 MET HA H 0.784 -2.875 -1.162 1.00 . A A . 16 MET HA 1 1 13 3613 1 1 16 MET HB2 H 2.960 -3.895 -1.618 1.00 . A A . 16 MET HB2 1 1 13 3614 1 1 16 MET HB3 H 2.046 -3.658 -3.101 1.00 . A A . 16 MET HB3 1 1 13 3615 1 1 16 MET HE1 H 3.548 -3.278 -5.805 1.00 . A A . 16 MET HE1 1 1 13 3616 1 1 16 MET HE2 H 2.844 -4.419 -4.660 1.00 . A A . 16 MET HE2 1 1 13 3617 1 1 16 MET HE3 H 4.238 -4.892 -5.630 1.00 . A A . 16 MET HE3 1 1 13 3618 1 1 16 MET HG2 H 3.358 -1.640 -3.570 1.00 . A A . 16 MET HG2 1 1 13 3619 1 1 16 MET HG3 H 4.297 -1.926 -2.105 1.00 . A A . 16 MET HG3 1 1 13 3620 1 1 16 MET N N 0.990 -1.296 -2.469 1.00 . A A . 16 MET N 1 1 13 3621 1 1 16 MET O O 2.983 -0.583 -0.547 1.00 . A A . 16 MET O 1 1 13 3622 1 1 16 MET SD S 4.860 -3.467 -3.829 1.00 . A A . 16 MET SD 1 1 13 3623 1 1 17 CYS C C 3.416 -2.702 2.813 1.00 . A A . 17 CYS C 1 1 13 3624 1 1 17 CYS CA C 2.706 -1.602 2.028 1.00 . A A . 17 CYS CA 1 1 13 3625 1 1 17 CYS CB C 1.648 -0.960 2.927 1.00 . A A . 17 CYS CB 1 1 13 3626 1 1 17 CYS H H 1.521 -2.940 0.885 1.00 . A A . 17 CYS H 1 1 13 3627 1 1 17 CYS HA H 3.426 -0.853 1.736 1.00 . A A . 17 CYS HA 1 1 13 3628 1 1 17 CYS HB2 H 0.956 -1.721 3.252 1.00 . A A . 17 CYS HB2 1 1 13 3629 1 1 17 CYS HB3 H 2.137 -0.537 3.793 1.00 . A A . 17 CYS HB3 1 1 13 3630 1 1 17 CYS N N 2.090 -2.141 0.817 1.00 . A A . 17 CYS N 1 1 13 3631 1 1 17 CYS O O 2.799 -3.683 3.214 1.00 . A A . 17 CYS O 1 1 13 3632 1 1 17 CYS SG S 0.677 0.361 2.141 1.00 . A A . 17 CYS SG 1 1 13 3633 1 1 18 CYS C C 6.009 -2.904 5.101 1.00 . A A . 18 CYS C 1 1 13 3634 1 1 18 CYS CA C 5.486 -3.503 3.803 1.00 . A A . 18 CYS CA 1 1 13 3635 1 1 18 CYS CB C 6.640 -4.056 2.966 1.00 . A A . 18 CYS CB 1 1 13 3636 1 1 18 CYS H H 5.153 -1.716 2.716 1.00 . A A . 18 CYS H 1 1 13 3637 1 1 18 CYS HA H 4.820 -4.317 4.051 1.00 . A A . 18 CYS HA 1 1 13 3638 1 1 18 CYS HB2 H 6.940 -3.313 2.242 1.00 . A A . 18 CYS HB2 1 1 13 3639 1 1 18 CYS HB3 H 7.473 -4.275 3.616 1.00 . A A . 18 CYS HB3 1 1 13 3640 1 1 18 CYS N N 4.710 -2.525 3.048 1.00 . A A . 18 CYS N 1 1 13 3641 1 1 18 CYS O O 6.321 -1.714 5.165 1.00 . A A . 18 CYS O 1 1 13 3642 1 1 18 CYS SG S 6.229 -5.583 2.057 1.00 . A A . 18 CYS SG 1 1 13 3643 1 1 19 LYS C C 7.786 -2.412 7.354 1.00 . A A . 19 LYS C 1 1 13 3644 1 1 19 LYS CA C 6.553 -3.310 7.451 1.00 . A A . 19 LYS CA 1 1 13 3645 1 1 19 LYS CB C 6.839 -4.531 8.343 1.00 . A A . 19 LYS CB 1 1 13 3646 1 1 19 LYS CD C 8.988 -5.350 7.283 1.00 . A A . 19 LYS CD 1 1 13 3647 1 1 19 LYS CE C 9.682 -6.523 6.610 1.00 . A A . 19 LYS CE 1 1 13 3648 1 1 19 LYS CG C 7.548 -5.685 7.637 1.00 . A A . 19 LYS CG 1 1 13 3649 1 1 19 LYS H H 5.806 -4.670 6.011 1.00 . A A . 19 LYS H 1 1 13 3650 1 1 19 LYS HA H 5.756 -2.739 7.903 1.00 . A A . 19 LYS HA 1 1 13 3651 1 1 19 LYS HB2 H 7.457 -4.216 9.169 1.00 . A A . 19 LYS HB2 1 1 13 3652 1 1 19 LYS HB3 H 5.901 -4.900 8.730 1.00 . A A . 19 LYS HB3 1 1 13 3653 1 1 19 LYS HD2 H 8.996 -4.508 6.607 1.00 . A A . 19 LYS HD2 1 1 13 3654 1 1 19 LYS HD3 H 9.524 -5.095 8.186 1.00 . A A . 19 LYS HD3 1 1 13 3655 1 1 19 LYS HE2 H 9.658 -7.371 7.278 1.00 . A A . 19 LYS HE2 1 1 13 3656 1 1 19 LYS HE3 H 9.148 -6.766 5.702 1.00 . A A . 19 LYS HE3 1 1 13 3657 1 1 19 LYS HG2 H 7.545 -6.544 8.290 1.00 . A A . 19 LYS HG2 1 1 13 3658 1 1 19 LYS HG3 H 7.011 -5.923 6.731 1.00 . A A . 19 LYS HG3 1 1 13 3659 1 1 19 LYS HZ1 H 11.472 -6.925 5.609 1.00 . A A . 19 LYS HZ1 1 1 13 3660 1 1 19 LYS HZ2 H 11.683 -6.217 7.130 1.00 . A A . 19 LYS HZ2 1 1 13 3661 1 1 19 LYS HZ3 H 11.163 -5.275 5.825 1.00 . A A . 19 LYS HZ3 1 1 13 3662 1 1 19 LYS N N 6.084 -3.739 6.135 1.00 . A A . 19 LYS N 1 1 13 3663 1 1 19 LYS NZ N 11.099 -6.213 6.270 1.00 . A A . 19 LYS NZ 1 1 13 3664 1 1 19 LYS O O 8.657 -2.615 6.509 1.00 . A A . 19 LYS O 1 1 13 3665 1 1 20 THR C C 10.232 -1.141 8.730 1.00 . A A . 20 THR C 1 1 13 3666 1 1 20 THR CA C 8.953 -0.467 8.245 1.00 . A A . 20 THR CA 1 1 13 3667 1 1 20 THR CB C 8.647 0.745 9.145 1.00 . A A . 20 THR CB 1 1 13 3668 1 1 20 THR CG2 C 8.313 0.302 10.561 1.00 . A A . 20 THR CG2 1 1 13 3669 1 1 20 THR H H 7.108 -1.294 8.867 1.00 . A A . 20 THR H 1 1 13 3670 1 1 20 THR HA H 9.107 -0.111 7.236 1.00 . A A . 20 THR HA 1 1 13 3671 1 1 20 THR HB H 7.794 1.268 8.737 1.00 . A A . 20 THR HB 1 1 13 3672 1 1 20 THR HG1 H 10.556 1.170 8.877 1.00 . A A . 20 THR HG1 1 1 13 3673 1 1 20 THR HG21 H 9.206 -0.067 11.043 1.00 . A A . 20 THR HG21 1 1 13 3674 1 1 20 THR HG22 H 7.571 -0.483 10.527 1.00 . A A . 20 THR HG22 1 1 13 3675 1 1 20 THR HG23 H 7.923 1.141 11.118 1.00 . A A . 20 THR HG23 1 1 13 3676 1 1 20 THR N N 7.840 -1.408 8.224 1.00 . A A . 20 THR N 1 1 13 3677 1 1 20 THR O O 11.324 -0.724 8.291 1.00 . A A . 20 THR O 1 1 13 3678 1 1 20 THR OXT O 10.130 -2.080 9.548 1.00 . A A . 20 THR OXT 1 1 13 3679 1 1 20 THR OG1 O 9.770 1.636 9.170 1.00 . A A . 20 THR OG1 1 1 14 3680 1 1 1 ILE C C 2.957 -7.640 3.475 1.00 . A A . 1 ILE C 1 1 14 3681 1 1 1 ILE CA C 3.280 -9.078 3.871 1.00 . A A . 1 ILE CA 1 1 14 3682 1 1 1 ILE CB C 1.964 -9.870 4.015 1.00 . A A . 1 ILE CB 1 1 14 3683 1 1 1 ILE CD1 C -0.199 -10.013 5.360 1.00 . A A . 1 ILE CD1 1 1 14 3684 1 1 1 ILE CG1 C 1.148 -9.340 5.199 1.00 . A A . 1 ILE CG1 1 1 14 3685 1 1 1 ILE CG2 C 2.260 -11.353 4.185 1.00 . A A . 1 ILE CG2 1 1 14 3686 1 1 1 ILE H1 H 3.690 -9.846 5.766 1.00 . A A . 1 ILE H1 1 1 14 3687 1 1 1 ILE H2 H 4.043 -8.200 5.602 1.00 . A A . 1 ILE H2 1 1 14 3688 1 1 1 ILE H3 H 5.065 -9.357 4.911 1.00 . A A . 1 ILE H3 1 1 14 3689 1 1 1 ILE HA H 3.864 -9.532 3.083 1.00 . A A . 1 ILE HA 1 1 14 3690 1 1 1 ILE HB H 1.392 -9.744 3.108 1.00 . A A . 1 ILE HB 1 1 14 3691 1 1 1 ILE HD11 H -0.978 -9.265 5.352 1.00 . A A . 1 ILE HD11 1 1 14 3692 1 1 1 ILE HD12 H -0.224 -10.550 6.297 1.00 . A A . 1 ILE HD12 1 1 14 3693 1 1 1 ILE HD13 H -0.356 -10.704 4.545 1.00 . A A . 1 ILE HD13 1 1 14 3694 1 1 1 ILE HG12 H 1.706 -9.498 6.110 1.00 . A A . 1 ILE HG12 1 1 14 3695 1 1 1 ILE HG13 H 0.977 -8.282 5.066 1.00 . A A . 1 ILE HG13 1 1 14 3696 1 1 1 ILE HG21 H 3.040 -11.484 4.920 1.00 . A A . 1 ILE HG21 1 1 14 3697 1 1 1 ILE HG22 H 2.583 -11.767 3.241 1.00 . A A . 1 ILE HG22 1 1 14 3698 1 1 1 ILE HG23 H 1.367 -11.864 4.514 1.00 . A A . 1 ILE HG23 1 1 14 3699 1 1 1 ILE N N 4.075 -9.124 5.125 1.00 . A A . 1 ILE N 1 1 14 3700 1 1 1 ILE O O 2.543 -6.834 4.308 1.00 . A A . 1 ILE O 1 1 14 3701 1 1 2 CYS C C 1.397 -5.667 1.778 1.00 . A A . 2 CYS C 1 1 14 3702 1 1 2 CYS CA C 2.888 -5.984 1.695 1.00 . A A . 2 CYS CA 1 1 14 3703 1 1 2 CYS CB C 3.374 -5.858 0.251 1.00 . A A . 2 CYS CB 1 1 14 3704 1 1 2 CYS H H 3.490 -8.009 1.582 1.00 . A A . 2 CYS H 1 1 14 3705 1 1 2 CYS HA H 3.430 -5.284 2.310 1.00 . A A . 2 CYS HA 1 1 14 3706 1 1 2 CYS HB2 H 2.738 -6.452 -0.389 1.00 . A A . 2 CYS HB2 1 1 14 3707 1 1 2 CYS HB3 H 3.316 -4.824 -0.051 1.00 . A A . 2 CYS HB3 1 1 14 3708 1 1 2 CYS N N 3.155 -7.325 2.198 1.00 . A A . 2 CYS N 1 1 14 3709 1 1 2 CYS O O 0.566 -6.357 1.181 1.00 . A A . 2 CYS O 1 1 14 3710 1 1 2 CYS SG S 5.092 -6.414 -0.003 1.00 . A A . 2 CYS SG 1 1 14 3711 1 1 3 ILE C C -0.807 -3.451 1.432 1.00 . A A . 3 ILE C 1 1 14 3712 1 1 3 ILE CA C -0.335 -4.226 2.649 1.00 . A A . 3 ILE CA 1 1 14 3713 1 1 3 ILE CB C -0.575 -3.392 3.914 1.00 . A A . 3 ILE CB 1 1 14 3714 1 1 3 ILE CD1 C 0.279 -1.348 5.171 1.00 . A A . 3 ILE CD1 1 1 14 3715 1 1 3 ILE CG1 C 0.568 -2.402 4.124 1.00 . A A . 3 ILE CG1 1 1 14 3716 1 1 3 ILE CG2 C -0.733 -4.300 5.126 1.00 . A A . 3 ILE CG2 1 1 14 3717 1 1 3 ILE H H 1.750 -4.082 2.953 1.00 . A A . 3 ILE H 1 1 14 3718 1 1 3 ILE HA H -0.923 -5.127 2.731 1.00 . A A . 3 ILE HA 1 1 14 3719 1 1 3 ILE HB H -1.496 -2.852 3.777 1.00 . A A . 3 ILE HB 1 1 14 3720 1 1 3 ILE HD11 H 0.541 -1.730 6.147 1.00 . A A . 3 ILE HD11 1 1 14 3721 1 1 3 ILE HD12 H -0.772 -1.101 5.151 1.00 . A A . 3 ILE HD12 1 1 14 3722 1 1 3 ILE HD13 H 0.861 -0.464 4.962 1.00 . A A . 3 ILE HD13 1 1 14 3723 1 1 3 ILE HG12 H 1.447 -2.944 4.439 1.00 . A A . 3 ILE HG12 1 1 14 3724 1 1 3 ILE HG13 H 0.778 -1.903 3.192 1.00 . A A . 3 ILE HG13 1 1 14 3725 1 1 3 ILE HG21 H -1.316 -5.166 4.853 1.00 . A A . 3 ILE HG21 1 1 14 3726 1 1 3 ILE HG22 H -1.235 -3.761 5.916 1.00 . A A . 3 ILE HG22 1 1 14 3727 1 1 3 ILE HG23 H 0.242 -4.615 5.467 1.00 . A A . 3 ILE HG23 1 1 14 3728 1 1 3 ILE N N 1.055 -4.614 2.509 1.00 . A A . 3 ILE N 1 1 14 3729 1 1 3 ILE O O -0.640 -2.235 1.350 1.00 . A A . 3 ILE O 1 1 14 3730 1 1 4 PHE C C -2.723 -2.337 -0.440 1.00 . A A . 4 PHE C 1 1 14 3731 1 1 4 PHE CA C -1.891 -3.579 -0.743 1.00 . A A . 4 PHE CA 1 1 14 3732 1 1 4 PHE CB C -2.725 -4.599 -1.525 1.00 . A A . 4 PHE CB 1 1 14 3733 1 1 4 PHE CD1 C -2.339 -3.380 -3.692 1.00 . A A . 4 PHE CD1 1 1 14 3734 1 1 4 PHE CD2 C -4.474 -4.374 -3.312 1.00 . A A . 4 PHE CD2 1 1 14 3735 1 1 4 PHE CE1 C -2.765 -2.932 -4.928 1.00 . A A . 4 PHE CE1 1 1 14 3736 1 1 4 PHE CE2 C -4.905 -3.928 -4.548 1.00 . A A . 4 PHE CE2 1 1 14 3737 1 1 4 PHE CG C -3.189 -4.107 -2.869 1.00 . A A . 4 PHE CG 1 1 14 3738 1 1 4 PHE CZ C -4.049 -3.204 -5.356 1.00 . A A . 4 PHE CZ 1 1 14 3739 1 1 4 PHE H H -1.476 -5.144 0.628 1.00 . A A . 4 PHE H 1 1 14 3740 1 1 4 PHE HA H -1.039 -3.289 -1.340 1.00 . A A . 4 PHE HA 1 1 14 3741 1 1 4 PHE HB2 H -2.133 -5.488 -1.684 1.00 . A A . 4 PHE HB2 1 1 14 3742 1 1 4 PHE HB3 H -3.599 -4.855 -0.945 1.00 . A A . 4 PHE HB3 1 1 14 3743 1 1 4 PHE HD1 H -1.336 -3.166 -3.358 1.00 . A A . 4 PHE HD1 1 1 14 3744 1 1 4 PHE HD2 H -5.144 -4.940 -2.682 1.00 . A A . 4 PHE HD2 1 1 14 3745 1 1 4 PHE HE1 H -2.094 -2.366 -5.558 1.00 . A A . 4 PHE HE1 1 1 14 3746 1 1 4 PHE HE2 H -5.909 -4.143 -4.881 1.00 . A A . 4 PHE HE2 1 1 14 3747 1 1 4 PHE HZ H -4.384 -2.854 -6.322 1.00 . A A . 4 PHE HZ 1 1 14 3748 1 1 4 PHE N N -1.390 -4.177 0.489 1.00 . A A . 4 PHE N 1 1 14 3749 1 1 4 PHE O O -3.860 -2.432 0.023 1.00 . A A . 4 PHE O 1 1 14 3750 1 1 5 CYS C C -3.600 0.536 -1.678 1.00 . A A . 5 CYS C 1 1 14 3751 1 1 5 CYS CA C -2.801 0.100 -0.459 1.00 . A A . 5 CYS CA 1 1 14 3752 1 1 5 CYS CB C -1.771 1.172 -0.091 1.00 . A A . 5 CYS CB 1 1 14 3753 1 1 5 CYS H H -1.229 -1.172 -1.069 1.00 . A A . 5 CYS H 1 1 14 3754 1 1 5 CYS HA H -3.483 -0.035 0.366 1.00 . A A . 5 CYS HA 1 1 14 3755 1 1 5 CYS HB2 H -1.049 1.256 -0.888 1.00 . A A . 5 CYS HB2 1 1 14 3756 1 1 5 CYS HB3 H -2.277 2.120 0.027 1.00 . A A . 5 CYS HB3 1 1 14 3757 1 1 5 CYS N N -2.136 -1.173 -0.702 1.00 . A A . 5 CYS N 1 1 14 3758 1 1 5 CYS O O -3.199 1.444 -2.407 1.00 . A A . 5 CYS O 1 1 14 3759 1 1 5 CYS SG S -0.855 0.836 1.451 1.00 . A A . 5 CYS SG 1 1 14 3760 1 1 6 CYS C C -6.527 1.340 -2.721 1.00 . A A . 6 CYS C 1 1 14 3761 1 1 6 CYS CA C -5.580 0.193 -3.043 1.00 . A A . 6 CYS CA 1 1 14 3762 1 1 6 CYS CB C -6.366 -1.036 -3.495 1.00 . A A . 6 CYS CB 1 1 14 3763 1 1 6 CYS H H -4.992 -0.842 -1.288 1.00 . A A . 6 CYS H 1 1 14 3764 1 1 6 CYS HA H -4.933 0.508 -3.845 1.00 . A A . 6 CYS HA 1 1 14 3765 1 1 6 CYS HB2 H -5.721 -1.901 -3.463 1.00 . A A . 6 CYS HB2 1 1 14 3766 1 1 6 CYS HB3 H -7.198 -1.189 -2.824 1.00 . A A . 6 CYS HB3 1 1 14 3767 1 1 6 CYS N N -4.729 -0.125 -1.902 1.00 . A A . 6 CYS N 1 1 14 3768 1 1 6 CYS O O -7.748 1.193 -2.777 1.00 . A A . 6 CYS O 1 1 14 3769 1 1 6 CYS SG S -7.034 -0.905 -5.188 1.00 . A A . 6 CYS SG 1 1 14 3770 1 1 7 GLY C C -7.646 3.452 -0.882 1.00 . A A . 7 GLY C 1 1 14 3771 1 1 7 GLY CA C -6.731 3.661 -2.071 1.00 . A A . 7 GLY CA 1 1 14 3772 1 1 7 GLY H H -4.966 2.531 -2.378 1.00 . A A . 7 GLY H 1 1 14 3773 1 1 7 GLY HA2 H -6.060 4.478 -1.854 1.00 . A A . 7 GLY HA2 1 1 14 3774 1 1 7 GLY HA3 H -7.332 3.923 -2.930 1.00 . A A . 7 GLY HA3 1 1 14 3775 1 1 7 GLY N N -5.945 2.484 -2.393 1.00 . A A . 7 GLY N 1 1 14 3776 1 1 7 GLY O O -8.790 3.909 -0.884 1.00 . A A . 7 GLY O 1 1 14 3777 1 1 8 CYS C C -8.211 3.782 2.101 1.00 . A A . 8 CYS C 1 1 14 3778 1 1 8 CYS CA C -7.925 2.514 1.346 1.00 . A A . 8 CYS CA 1 1 14 3779 1 1 8 CYS CB C -7.164 1.604 2.324 1.00 . A A . 8 CYS CB 1 1 14 3780 1 1 8 CYS H H -6.223 2.436 0.088 1.00 . A A . 8 CYS H 1 1 14 3781 1 1 8 CYS HA H -8.851 2.040 1.065 1.00 . A A . 8 CYS HA 1 1 14 3782 1 1 8 CYS HB2 H -7.362 0.572 2.074 1.00 . A A . 8 CYS HB2 1 1 14 3783 1 1 8 CYS HB3 H -6.105 1.795 2.236 1.00 . A A . 8 CYS HB3 1 1 14 3784 1 1 8 CYS N N -7.143 2.769 0.140 1.00 . A A . 8 CYS N 1 1 14 3785 1 1 8 CYS O O -9.342 4.262 2.185 1.00 . A A . 8 CYS O 1 1 14 3786 1 1 8 CYS SG S -7.640 1.857 4.090 1.00 . A A . 8 CYS SG 1 1 14 3787 1 1 9 CYS C C -6.139 6.407 3.225 1.00 . A A . 9 CYS C 1 1 14 3788 1 1 9 CYS CA C -7.196 5.372 3.601 1.00 . A A . 9 CYS CA 1 1 14 3789 1 1 9 CYS CB C -6.960 4.794 4.987 1.00 . A A . 9 CYS CB 1 1 14 3790 1 1 9 CYS H H -6.318 3.742 2.652 1.00 . A A . 9 CYS H 1 1 14 3791 1 1 9 CYS HA H -8.177 5.814 3.557 1.00 . A A . 9 CYS HA 1 1 14 3792 1 1 9 CYS HB2 H -6.294 5.443 5.537 1.00 . A A . 9 CYS HB2 1 1 14 3793 1 1 9 CYS HB3 H -7.901 4.715 5.508 1.00 . A A . 9 CYS HB3 1 1 14 3794 1 1 9 CYS N N -7.158 4.240 2.729 1.00 . A A . 9 CYS N 1 1 14 3795 1 1 9 CYS O O -6.424 7.602 3.147 1.00 . A A . 9 CYS O 1 1 14 3796 1 1 9 CYS SG S -6.206 3.114 4.924 1.00 . A A . 9 CYS SG 1 1 14 3797 1 1 10 HIS C C -3.940 7.272 1.170 1.00 . A A . 10 HIS C 1 1 14 3798 1 1 10 HIS CA C -3.811 6.809 2.623 1.00 . A A . 10 HIS CA 1 1 14 3799 1 1 10 HIS CB C -2.478 6.092 2.853 1.00 . A A . 10 HIS CB 1 1 14 3800 1 1 10 HIS CD2 C -1.268 6.102 5.148 1.00 . A A . 10 HIS CD2 1 1 14 3801 1 1 10 HIS CE1 C -2.619 4.751 6.225 1.00 . A A . 10 HIS CE1 1 1 14 3802 1 1 10 HIS CG C -2.243 5.727 4.285 1.00 . A A . 10 HIS CG 1 1 14 3803 1 1 10 HIS H H -4.758 4.971 3.071 1.00 . A A . 10 HIS H 1 1 14 3804 1 1 10 HIS HA H -3.855 7.676 3.265 1.00 . A A . 10 HIS HA 1 1 14 3805 1 1 10 HIS HB2 H -2.459 5.183 2.270 1.00 . A A . 10 HIS HB2 1 1 14 3806 1 1 10 HIS HB3 H -1.670 6.736 2.535 1.00 . A A . 10 HIS HB3 1 1 14 3807 1 1 10 HIS HD1 H -3.874 4.442 4.640 1.00 . A A . 10 HIS HD1 1 1 14 3808 1 1 10 HIS HD2 H -0.444 6.768 4.935 1.00 . A A . 10 HIS HD2 1 1 14 3809 1 1 10 HIS HE1 H -3.066 4.149 7.002 1.00 . A A . 10 HIS HE1 1 1 14 3810 1 1 10 HIS HE2 H -0.953 5.515 7.140 1.00 . A A . 10 HIS HE2 1 1 14 3811 1 1 10 HIS N N -4.918 5.934 2.993 1.00 . A A . 10 HIS N 1 1 14 3812 1 1 10 HIS ND1 N -3.072 4.880 4.991 1.00 . A A . 10 HIS ND1 1 1 14 3813 1 1 10 HIS NE2 N -1.526 5.481 6.346 1.00 . A A . 10 HIS NE2 1 1 14 3814 1 1 10 HIS O O -4.988 7.778 0.767 1.00 . A A . 10 HIS O 1 1 14 3815 1 1 11 ARG C C -3.962 6.788 -1.797 1.00 . A A . 11 ARG C 1 1 14 3816 1 1 11 ARG CA C -2.877 7.522 -1.010 1.00 . A A . 11 ARG CA 1 1 14 3817 1 1 11 ARG CB C -1.508 7.276 -1.645 1.00 . A A . 11 ARG CB 1 1 14 3818 1 1 11 ARG CD C -1.396 9.500 -2.806 1.00 . A A . 11 ARG CD 1 1 14 3819 1 1 11 ARG CG C -1.322 7.991 -2.973 1.00 . A A . 11 ARG CG 1 1 14 3820 1 1 11 ARG CZ C -1.291 11.528 -4.195 1.00 . A A . 11 ARG CZ 1 1 14 3821 1 1 11 ARG H H -2.061 6.706 0.762 1.00 . A A . 11 ARG H 1 1 14 3822 1 1 11 ARG HA H -3.089 8.580 -1.039 1.00 . A A . 11 ARG HA 1 1 14 3823 1 1 11 ARG HB2 H -0.742 7.618 -0.965 1.00 . A A . 11 ARG HB2 1 1 14 3824 1 1 11 ARG HB3 H -1.386 6.216 -1.811 1.00 . A A . 11 ARG HB3 1 1 14 3825 1 1 11 ARG HD2 H -2.339 9.753 -2.347 1.00 . A A . 11 ARG HD2 1 1 14 3826 1 1 11 ARG HD3 H -0.589 9.818 -2.164 1.00 . A A . 11 ARG HD3 1 1 14 3827 1 1 11 ARG HE H -1.220 9.659 -4.895 1.00 . A A . 11 ARG HE 1 1 14 3828 1 1 11 ARG HG2 H -0.357 7.731 -3.379 1.00 . A A . 11 ARG HG2 1 1 14 3829 1 1 11 ARG HG3 H -2.099 7.673 -3.654 1.00 . A A . 11 ARG HG3 1 1 14 3830 1 1 11 ARG HH11 H -1.436 11.866 -2.207 1.00 . A A . 11 ARG HH11 1 1 14 3831 1 1 11 ARG HH12 H -1.377 13.284 -3.199 1.00 . A A . 11 ARG HH12 1 1 14 3832 1 1 11 ARG HH21 H -1.136 11.523 -6.210 1.00 . A A . 11 ARG HH21 1 1 14 3833 1 1 11 ARG HH22 H -1.205 13.089 -5.474 1.00 . A A . 11 ARG HH22 1 1 14 3834 1 1 11 ARG N N -2.872 7.108 0.389 1.00 . A A . 11 ARG N 1 1 14 3835 1 1 11 ARG NE N -1.291 10.202 -4.082 1.00 . A A . 11 ARG NE 1 1 14 3836 1 1 11 ARG NH1 N -1.374 12.289 -3.111 1.00 . A A . 11 ARG NH1 1 1 14 3837 1 1 11 ARG NH2 N -1.204 12.092 -5.391 1.00 . A A . 11 ARG NH2 1 1 14 3838 1 1 11 ARG O O -4.288 5.638 -1.501 1.00 . A A . 11 ARG O 1 1 14 3839 1 1 12 SER C C -5.071 5.783 -4.522 1.00 . A A . 12 SER C 1 1 14 3840 1 1 12 SER CA C -5.586 6.898 -3.615 1.00 . A A . 12 SER CA 1 1 14 3841 1 1 12 SER CB C -6.242 7.992 -4.461 1.00 . A A . 12 SER CB 1 1 14 3842 1 1 12 SER H H -4.225 8.384 -2.969 1.00 . A A . 12 SER H 1 1 14 3843 1 1 12 SER HA H -6.327 6.484 -2.952 1.00 . A A . 12 SER HA 1 1 14 3844 1 1 12 SER HB2 H -5.493 8.463 -5.080 1.00 . A A . 12 SER HB2 1 1 14 3845 1 1 12 SER HB3 H -7.002 7.550 -5.090 1.00 . A A . 12 SER HB3 1 1 14 3846 1 1 12 SER HG H -6.242 9.220 -2.934 1.00 . A A . 12 SER HG 1 1 14 3847 1 1 12 SER N N -4.526 7.469 -2.791 1.00 . A A . 12 SER N 1 1 14 3848 1 1 12 SER O O -5.742 4.768 -4.708 1.00 . A A . 12 SER O 1 1 14 3849 1 1 12 SER OG O -6.843 8.980 -3.642 1.00 . A A . 12 SER OG 1 1 14 3850 1 1 13 LYS C C -3.172 3.627 -5.313 1.00 . A A . 13 LYS C 1 1 14 3851 1 1 13 LYS CA C -3.306 4.986 -5.997 1.00 . A A . 13 LYS CA 1 1 14 3852 1 1 13 LYS CB C -1.948 5.466 -6.534 1.00 . A A . 13 LYS CB 1 1 14 3853 1 1 13 LYS CD C -0.204 4.554 -4.940 1.00 . A A . 13 LYS CD 1 1 14 3854 1 1 13 LYS CE C 0.586 3.858 -6.039 1.00 . A A . 13 LYS CE 1 1 14 3855 1 1 13 LYS CG C -0.915 5.795 -5.461 1.00 . A A . 13 LYS CG 1 1 14 3856 1 1 13 LYS H H -3.406 6.814 -4.920 1.00 . A A . 13 LYS H 1 1 14 3857 1 1 13 LYS HA H -3.983 4.877 -6.831 1.00 . A A . 13 LYS HA 1 1 14 3858 1 1 13 LYS HB2 H -1.535 4.694 -7.164 1.00 . A A . 13 LYS HB2 1 1 14 3859 1 1 13 LYS HB3 H -2.107 6.353 -7.129 1.00 . A A . 13 LYS HB3 1 1 14 3860 1 1 13 LYS HD2 H 0.476 4.845 -4.153 1.00 . A A . 13 LYS HD2 1 1 14 3861 1 1 13 LYS HD3 H -0.938 3.868 -4.548 1.00 . A A . 13 LYS HD3 1 1 14 3862 1 1 13 LYS HE2 H -0.094 3.574 -6.828 1.00 . A A . 13 LYS HE2 1 1 14 3863 1 1 13 LYS HE3 H 1.321 4.546 -6.427 1.00 . A A . 13 LYS HE3 1 1 14 3864 1 1 13 LYS HG2 H -0.180 6.465 -5.880 1.00 . A A . 13 LYS HG2 1 1 14 3865 1 1 13 LYS HG3 H -1.415 6.283 -4.636 1.00 . A A . 13 LYS HG3 1 1 14 3866 1 1 13 LYS HZ1 H 0.720 1.791 -5.761 1.00 . A A . 13 LYS HZ1 1 1 14 3867 1 1 13 LYS HZ2 H 1.399 2.697 -4.504 1.00 . A A . 13 LYS HZ2 1 1 14 3868 1 1 13 LYS HZ3 H 2.216 2.553 -5.977 1.00 . A A . 13 LYS HZ3 1 1 14 3869 1 1 13 LYS N N -3.889 5.980 -5.096 1.00 . A A . 13 LYS N 1 1 14 3870 1 1 13 LYS NZ N 1.279 2.640 -5.534 1.00 . A A . 13 LYS NZ 1 1 14 3871 1 1 13 LYS O O -2.797 3.540 -4.144 1.00 . A A . 13 LYS O 1 1 14 3872 1 1 14 CYS C C -2.009 0.642 -5.689 1.00 . A A . 14 CYS C 1 1 14 3873 1 1 14 CYS CA C -3.415 1.211 -5.524 1.00 . A A . 14 CYS CA 1 1 14 3874 1 1 14 CYS CB C -4.436 0.304 -6.221 1.00 . A A . 14 CYS CB 1 1 14 3875 1 1 14 CYS H H -3.793 2.703 -6.976 1.00 . A A . 14 CYS H 1 1 14 3876 1 1 14 CYS HA H -3.648 1.254 -4.471 1.00 . A A . 14 CYS HA 1 1 14 3877 1 1 14 CYS HB2 H -4.262 0.331 -7.286 1.00 . A A . 14 CYS HB2 1 1 14 3878 1 1 14 CYS HB3 H -4.309 -0.708 -5.865 1.00 . A A . 14 CYS HB3 1 1 14 3879 1 1 14 CYS N N -3.494 2.568 -6.053 1.00 . A A . 14 CYS N 1 1 14 3880 1 1 14 CYS O O -1.421 0.726 -6.768 1.00 . A A . 14 CYS O 1 1 14 3881 1 1 14 CYS SG S -6.171 0.784 -5.930 1.00 . A A . 14 CYS SG 1 1 14 3882 1 1 15 GLY C C 0.267 -1.127 -3.350 1.00 . A A . 15 GLY C 1 1 14 3883 1 1 15 GLY CA C -0.145 -0.511 -4.670 1.00 . A A . 15 GLY CA 1 1 14 3884 1 1 15 GLY H H -1.992 0.024 -3.781 1.00 . A A . 15 GLY H 1 1 14 3885 1 1 15 GLY HA2 H -0.125 -1.274 -5.434 1.00 . A A . 15 GLY HA2 1 1 14 3886 1 1 15 GLY HA3 H 0.560 0.264 -4.930 1.00 . A A . 15 GLY HA3 1 1 14 3887 1 1 15 GLY N N -1.477 0.063 -4.617 1.00 . A A . 15 GLY N 1 1 14 3888 1 1 15 GLY O O 0.094 -0.515 -2.296 1.00 . A A . 15 GLY O 1 1 14 3889 1 1 16 MET C C 2.211 -2.185 -1.392 1.00 . A A . 16 MET C 1 1 14 3890 1 1 16 MET CA C 1.243 -3.039 -2.204 1.00 . A A . 16 MET CA 1 1 14 3891 1 1 16 MET CB C 1.901 -4.370 -2.575 1.00 . A A . 16 MET CB 1 1 14 3892 1 1 16 MET CE C 3.119 -6.356 -4.753 1.00 . A A . 16 MET CE 1 1 14 3893 1 1 16 MET CG C 0.978 -5.317 -3.326 1.00 . A A . 16 MET CG 1 1 14 3894 1 1 16 MET H H 0.919 -2.774 -4.280 1.00 . A A . 16 MET H 1 1 14 3895 1 1 16 MET HA H 0.369 -3.237 -1.604 1.00 . A A . 16 MET HA 1 1 14 3896 1 1 16 MET HB2 H 2.761 -4.171 -3.196 1.00 . A A . 16 MET HB2 1 1 14 3897 1 1 16 MET HB3 H 2.227 -4.862 -1.671 1.00 . A A . 16 MET HB3 1 1 14 3898 1 1 16 MET HE1 H 3.574 -7.215 -5.223 1.00 . A A . 16 MET HE1 1 1 14 3899 1 1 16 MET HE2 H 3.853 -5.845 -4.150 1.00 . A A . 16 MET HE2 1 1 14 3900 1 1 16 MET HE3 H 2.746 -5.686 -5.513 1.00 . A A . 16 MET HE3 1 1 14 3901 1 1 16 MET HG2 H 0.107 -5.506 -2.719 1.00 . A A . 16 MET HG2 1 1 14 3902 1 1 16 MET HG3 H 0.676 -4.845 -4.250 1.00 . A A . 16 MET HG3 1 1 14 3903 1 1 16 MET N N 0.810 -2.339 -3.408 1.00 . A A . 16 MET N 1 1 14 3904 1 1 16 MET O O 3.191 -1.662 -1.924 1.00 . A A . 16 MET O 1 1 14 3905 1 1 16 MET SD S 1.762 -6.894 -3.714 1.00 . A A . 16 MET SD 1 1 14 3906 1 1 17 CYS C C 3.709 -2.173 1.580 1.00 . A A . 17 CYS C 1 1 14 3907 1 1 17 CYS CA C 2.775 -1.265 0.790 1.00 . A A . 17 CYS CA 1 1 14 3908 1 1 17 CYS CB C 1.921 -0.407 1.727 1.00 . A A . 17 CYS CB 1 1 14 3909 1 1 17 CYS H H 1.137 -2.496 0.270 1.00 . A A . 17 CYS H 1 1 14 3910 1 1 17 CYS HA H 3.379 -0.616 0.173 1.00 . A A . 17 CYS HA 1 1 14 3911 1 1 17 CYS HB2 H 1.152 -1.024 2.166 1.00 . A A . 17 CYS HB2 1 1 14 3912 1 1 17 CYS HB3 H 2.549 -0.012 2.513 1.00 . A A . 17 CYS HB3 1 1 14 3913 1 1 17 CYS N N 1.929 -2.050 -0.099 1.00 . A A . 17 CYS N 1 1 14 3914 1 1 17 CYS O O 3.447 -2.508 2.735 1.00 . A A . 17 CYS O 1 1 14 3915 1 1 17 CYS SG S 1.100 1.004 0.911 1.00 . A A . 17 CYS SG 1 1 14 3916 1 1 18 CYS C C 6.535 -2.730 2.654 1.00 . A A . 18 CYS C 1 1 14 3917 1 1 18 CYS CA C 5.788 -3.444 1.536 1.00 . A A . 18 CYS CA 1 1 14 3918 1 1 18 CYS CB C 6.775 -3.936 0.477 1.00 . A A . 18 CYS CB 1 1 14 3919 1 1 18 CYS H H 4.933 -2.266 0.013 1.00 . A A . 18 CYS H 1 1 14 3920 1 1 18 CYS HA H 5.269 -4.294 1.953 1.00 . A A . 18 CYS HA 1 1 14 3921 1 1 18 CYS HB2 H 7.299 -3.089 0.063 1.00 . A A . 18 CYS HB2 1 1 14 3922 1 1 18 CYS HB3 H 7.487 -4.602 0.943 1.00 . A A . 18 CYS HB3 1 1 14 3923 1 1 18 CYS N N 4.795 -2.570 0.931 1.00 . A A . 18 CYS N 1 1 14 3924 1 1 18 CYS O O 6.662 -1.506 2.648 1.00 . A A . 18 CYS O 1 1 14 3925 1 1 18 CYS SG S 5.995 -4.835 -0.902 1.00 . A A . 18 CYS SG 1 1 14 3926 1 1 19 LYS C C 8.818 -1.981 4.310 1.00 . A A . 19 LYS C 1 1 14 3927 1 1 19 LYS CA C 7.747 -2.974 4.757 1.00 . A A . 19 LYS CA 1 1 14 3928 1 1 19 LYS CB C 8.390 -4.106 5.573 1.00 . A A . 19 LYS CB 1 1 14 3929 1 1 19 LYS CD C 9.235 -5.483 3.625 1.00 . A A . 19 LYS CD 1 1 14 3930 1 1 19 LYS CE C 10.446 -6.164 3.005 1.00 . A A . 19 LYS CE 1 1 14 3931 1 1 19 LYS CG C 9.601 -4.757 4.911 1.00 . A A . 19 LYS CG 1 1 14 3932 1 1 19 LYS H H 6.864 -4.475 3.553 1.00 . A A . 19 LYS H 1 1 14 3933 1 1 19 LYS HA H 7.037 -2.454 5.384 1.00 . A A . 19 LYS HA 1 1 14 3934 1 1 19 LYS HB2 H 8.704 -3.708 6.527 1.00 . A A . 19 LYS HB2 1 1 14 3935 1 1 19 LYS HB3 H 7.648 -4.871 5.744 1.00 . A A . 19 LYS HB3 1 1 14 3936 1 1 19 LYS HD2 H 8.488 -6.231 3.844 1.00 . A A . 19 LYS HD2 1 1 14 3937 1 1 19 LYS HD3 H 8.836 -4.767 2.920 1.00 . A A . 19 LYS HD3 1 1 14 3938 1 1 19 LYS HE2 H 10.833 -6.888 3.706 1.00 . A A . 19 LYS HE2 1 1 14 3939 1 1 19 LYS HE3 H 10.134 -6.670 2.102 1.00 . A A . 19 LYS HE3 1 1 14 3940 1 1 19 LYS HG2 H 10.326 -3.991 4.682 1.00 . A A . 19 LYS HG2 1 1 14 3941 1 1 19 LYS HG3 H 10.034 -5.467 5.601 1.00 . A A . 19 LYS HG3 1 1 14 3942 1 1 19 LYS HZ1 H 11.981 -4.851 3.538 1.00 . A A . 19 LYS HZ1 1 1 14 3943 1 1 19 LYS HZ2 H 11.124 -4.378 2.158 1.00 . A A . 19 LYS HZ2 1 1 14 3944 1 1 19 LYS HZ3 H 12.239 -5.646 2.066 1.00 . A A . 19 LYS HZ3 1 1 14 3945 1 1 19 LYS N N 7.014 -3.511 3.613 1.00 . A A . 19 LYS N 1 1 14 3946 1 1 19 LYS NZ N 11.522 -5.192 2.668 1.00 . A A . 19 LYS NZ 1 1 14 3947 1 1 19 LYS O O 9.566 -2.239 3.366 1.00 . A A . 19 LYS O 1 1 14 3948 1 1 20 THR C C 11.272 -0.269 4.980 1.00 . A A . 20 THR C 1 1 14 3949 1 1 20 THR CA C 9.853 0.194 4.672 1.00 . A A . 20 THR CA 1 1 14 3950 1 1 20 THR CB C 9.568 1.492 5.450 1.00 . A A . 20 THR CB 1 1 14 3951 1 1 20 THR CG2 C 8.201 2.052 5.086 1.00 . A A . 20 THR CG2 1 1 14 3952 1 1 20 THR H H 8.252 -0.696 5.732 1.00 . A A . 20 THR H 1 1 14 3953 1 1 20 THR HA H 9.776 0.407 3.616 1.00 . A A . 20 THR HA 1 1 14 3954 1 1 20 THR HB H 10.320 2.222 5.188 1.00 . A A . 20 THR HB 1 1 14 3955 1 1 20 THR HG1 H 9.793 2.068 7.324 1.00 . A A . 20 THR HG1 1 1 14 3956 1 1 20 THR HG21 H 7.953 1.767 4.074 1.00 . A A . 20 THR HG21 1 1 14 3957 1 1 20 THR HG22 H 8.221 3.129 5.161 1.00 . A A . 20 THR HG22 1 1 14 3958 1 1 20 THR HG23 H 7.457 1.656 5.763 1.00 . A A . 20 THR HG23 1 1 14 3959 1 1 20 THR N N 8.879 -0.843 4.993 1.00 . A A . 20 THR N 1 1 14 3960 1 1 20 THR O O 12.223 0.426 4.564 1.00 . A A . 20 THR O 1 1 14 3961 1 1 20 THR OXT O 11.423 -1.320 5.638 1.00 . A A . 20 THR OXT 1 1 14 3962 1 1 20 THR OG1 O 9.626 1.244 6.859 1.00 . A A . 20 THR OG1 1 1 15 3963 1 1 1 ILE C C 3.143 -7.499 3.224 1.00 . A A . 1 ILE C 1 1 15 3964 1 1 1 ILE CA C 3.492 -8.957 3.508 1.00 . A A . 1 ILE CA 1 1 15 3965 1 1 1 ILE CB C 2.185 -9.773 3.638 1.00 . A A . 1 ILE CB 1 1 15 3966 1 1 1 ILE CD1 C 1.912 -9.466 6.170 1.00 . A A . 1 ILE CD1 1 1 15 3967 1 1 1 ILE CG1 C 1.314 -9.257 4.793 1.00 . A A . 1 ILE CG1 1 1 15 3968 1 1 1 ILE CG2 C 2.501 -11.250 3.824 1.00 . A A . 1 ILE CG2 1 1 15 3969 1 1 1 ILE H1 H 4.038 -8.395 5.442 1.00 . A A . 1 ILE H1 1 1 15 3970 1 1 1 ILE H2 H 5.337 -8.892 4.479 1.00 . A A . 1 ILE H2 1 1 15 3971 1 1 1 ILE H3 H 4.268 -10.039 5.113 1.00 . A A . 1 ILE H3 1 1 15 3972 1 1 1 ILE HA H 4.050 -9.346 2.667 1.00 . A A . 1 ILE HA 1 1 15 3973 1 1 1 ILE HB H 1.637 -9.669 2.714 1.00 . A A . 1 ILE HB 1 1 15 3974 1 1 1 ILE HD11 H 1.119 -9.544 6.899 1.00 . A A . 1 ILE HD11 1 1 15 3975 1 1 1 ILE HD12 H 2.547 -8.628 6.419 1.00 . A A . 1 ILE HD12 1 1 15 3976 1 1 1 ILE HD13 H 2.498 -10.374 6.175 1.00 . A A . 1 ILE HD13 1 1 15 3977 1 1 1 ILE HG12 H 1.155 -8.196 4.665 1.00 . A A . 1 ILE HG12 1 1 15 3978 1 1 1 ILE HG13 H 0.360 -9.762 4.767 1.00 . A A . 1 ILE HG13 1 1 15 3979 1 1 1 ILE HG21 H 1.579 -11.808 3.907 1.00 . A A . 1 ILE HG21 1 1 15 3980 1 1 1 ILE HG22 H 3.084 -11.383 4.724 1.00 . A A . 1 ILE HG22 1 1 15 3981 1 1 1 ILE HG23 H 3.064 -11.608 2.974 1.00 . A A . 1 ILE HG23 1 1 15 3982 1 1 1 ILE N N 4.343 -9.079 4.720 1.00 . A A . 1 ILE N 1 1 15 3983 1 1 1 ILE O O 2.758 -6.753 4.124 1.00 . A A . 1 ILE O 1 1 15 3984 1 1 2 CYS C C 1.484 -5.462 1.640 1.00 . A A . 2 CYS C 1 1 15 3985 1 1 2 CYS CA C 2.986 -5.731 1.557 1.00 . A A . 2 CYS CA 1 1 15 3986 1 1 2 CYS CB C 3.492 -5.490 0.135 1.00 . A A . 2 CYS CB 1 1 15 3987 1 1 2 CYS H H 3.596 -7.737 1.291 1.00 . A A . 2 CYS H 1 1 15 3988 1 1 2 CYS HA H 3.500 -5.066 2.233 1.00 . A A . 2 CYS HA 1 1 15 3989 1 1 2 CYS HB2 H 2.858 -6.019 -0.561 1.00 . A A . 2 CYS HB2 1 1 15 3990 1 1 2 CYS HB3 H 3.453 -4.432 -0.079 1.00 . A A . 2 CYS HB3 1 1 15 3991 1 1 2 CYS N N 3.283 -7.098 1.963 1.00 . A A . 2 CYS N 1 1 15 3992 1 1 2 CYS O O 0.682 -6.125 0.975 1.00 . A A . 2 CYS O 1 1 15 3993 1 1 2 CYS SG S 5.207 -6.049 -0.140 1.00 . A A . 2 CYS SG 1 1 15 3994 1 1 3 ILE C C -0.822 -3.382 1.409 1.00 . A A . 3 ILE C 1 1 15 3995 1 1 3 ILE CA C -0.306 -4.159 2.612 1.00 . A A . 3 ILE CA 1 1 15 3996 1 1 3 ILE CB C -0.583 -3.371 3.909 1.00 . A A . 3 ILE CB 1 1 15 3997 1 1 3 ILE CD1 C 0.064 -1.289 5.237 1.00 . A A . 3 ILE CD1 1 1 15 3998 1 1 3 ILE CG1 C 0.272 -2.101 3.976 1.00 . A A . 3 ILE CG1 1 1 15 3999 1 1 3 ILE CG2 C -0.329 -4.257 5.121 1.00 . A A . 3 ILE CG2 1 1 15 4000 1 1 3 ILE H H 1.774 -3.988 2.962 1.00 . A A . 3 ILE H 1 1 15 4001 1 1 3 ILE HA H -0.849 -5.092 2.668 1.00 . A A . 3 ILE HA 1 1 15 4002 1 1 3 ILE HB H -1.626 -3.095 3.910 1.00 . A A . 3 ILE HB 1 1 15 4003 1 1 3 ILE HD11 H 0.260 -0.247 5.031 1.00 . A A . 3 ILE HD11 1 1 15 4004 1 1 3 ILE HD12 H 0.738 -1.637 6.005 1.00 . A A . 3 ILE HD12 1 1 15 4005 1 1 3 ILE HD13 H -0.956 -1.403 5.574 1.00 . A A . 3 ILE HD13 1 1 15 4006 1 1 3 ILE HG12 H 1.314 -2.372 3.925 1.00 . A A . 3 ILE HG12 1 1 15 4007 1 1 3 ILE HG13 H 0.030 -1.470 3.133 1.00 . A A . 3 ILE HG13 1 1 15 4008 1 1 3 ILE HG21 H -1.181 -4.900 5.283 1.00 . A A . 3 ILE HG21 1 1 15 4009 1 1 3 ILE HG22 H -0.175 -3.639 5.994 1.00 . A A . 3 ILE HG22 1 1 15 4010 1 1 3 ILE HG23 H 0.549 -4.861 4.949 1.00 . A A . 3 ILE HG23 1 1 15 4011 1 1 3 ILE N N 1.100 -4.489 2.458 1.00 . A A . 3 ILE N 1 1 15 4012 1 1 3 ILE O O -0.682 -2.162 1.327 1.00 . A A . 3 ILE O 1 1 15 4013 1 1 4 PHE C C -2.808 -2.288 -0.394 1.00 . A A . 4 PHE C 1 1 15 4014 1 1 4 PHE CA C -1.960 -3.509 -0.740 1.00 . A A . 4 PHE CA 1 1 15 4015 1 1 4 PHE CB C -2.797 -4.538 -1.506 1.00 . A A . 4 PHE CB 1 1 15 4016 1 1 4 PHE CD1 C -2.460 -3.352 -3.698 1.00 . A A . 4 PHE CD1 1 1 15 4017 1 1 4 PHE CD2 C -4.594 -4.319 -3.246 1.00 . A A . 4 PHE CD2 1 1 15 4018 1 1 4 PHE CE1 C -2.916 -2.916 -4.928 1.00 . A A . 4 PHE CE1 1 1 15 4019 1 1 4 PHE CE2 C -5.054 -3.887 -4.475 1.00 . A A . 4 PHE CE2 1 1 15 4020 1 1 4 PHE CG C -3.294 -4.058 -2.843 1.00 . A A . 4 PHE CG 1 1 15 4021 1 1 4 PHE CZ C -4.214 -3.185 -5.317 1.00 . A A . 4 PHE CZ 1 1 15 4022 1 1 4 PHE H H -1.483 -5.082 0.603 1.00 . A A . 4 PHE H 1 1 15 4023 1 1 4 PHE HA H -1.132 -3.198 -1.357 1.00 . A A . 4 PHE HA 1 1 15 4024 1 1 4 PHE HB2 H -2.198 -5.421 -1.677 1.00 . A A . 4 PHE HB2 1 1 15 4025 1 1 4 PHE HB3 H -3.657 -4.806 -0.910 1.00 . A A . 4 PHE HB3 1 1 15 4026 1 1 4 PHE HD1 H -1.445 -3.142 -3.395 1.00 . A A . 4 PHE HD1 1 1 15 4027 1 1 4 PHE HD2 H -5.251 -4.867 -2.588 1.00 . A A . 4 PHE HD2 1 1 15 4028 1 1 4 PHE HE1 H -2.258 -2.368 -5.586 1.00 . A A . 4 PHE HE1 1 1 15 4029 1 1 4 PHE HE2 H -6.069 -4.098 -4.777 1.00 . A A . 4 PHE HE2 1 1 15 4030 1 1 4 PHE HZ H -4.572 -2.847 -6.279 1.00 . A A . 4 PHE HZ 1 1 15 4031 1 1 4 PHE N N -1.416 -4.111 0.473 1.00 . A A . 4 PHE N 1 1 15 4032 1 1 4 PHE O O -3.916 -2.412 0.128 1.00 . A A . 4 PHE O 1 1 15 4033 1 1 5 CYS C C -3.814 0.579 -1.578 1.00 . A A . 5 CYS C 1 1 15 4034 1 1 5 CYS CA C -2.955 0.148 -0.400 1.00 . A A . 5 CYS CA 1 1 15 4035 1 1 5 CYS CB C -1.943 1.245 -0.060 1.00 . A A . 5 CYS CB 1 1 15 4036 1 1 5 CYS H H -1.381 -1.078 -1.094 1.00 . A A . 5 CYS H 1 1 15 4037 1 1 5 CYS HA H -3.599 -0.014 0.451 1.00 . A A . 5 CYS HA 1 1 15 4038 1 1 5 CYS HB2 H -1.235 1.330 -0.869 1.00 . A A . 5 CYS HB2 1 1 15 4039 1 1 5 CYS HB3 H -2.466 2.184 0.053 1.00 . A A . 5 CYS HB3 1 1 15 4040 1 1 5 CYS N N -2.268 -1.107 -0.683 1.00 . A A . 5 CYS N 1 1 15 4041 1 1 5 CYS O O -3.484 1.531 -2.287 1.00 . A A . 5 CYS O 1 1 15 4042 1 1 5 CYS SG S -0.994 0.954 1.469 1.00 . A A . 5 CYS SG 1 1 15 4043 1 1 6 CYS C C -6.747 1.328 -2.515 1.00 . A A . 6 CYS C 1 1 15 4044 1 1 6 CYS CA C -5.822 0.176 -2.881 1.00 . A A . 6 CYS CA 1 1 15 4045 1 1 6 CYS CB C -6.631 -1.061 -3.275 1.00 . A A . 6 CYS CB 1 1 15 4046 1 1 6 CYS H H -5.118 -0.877 -1.182 1.00 . A A . 6 CYS H 1 1 15 4047 1 1 6 CYS HA H -5.219 0.483 -3.720 1.00 . A A . 6 CYS HA 1 1 15 4048 1 1 6 CYS HB2 H -5.991 -1.930 -3.223 1.00 . A A . 6 CYS HB2 1 1 15 4049 1 1 6 CYS HB3 H -7.449 -1.182 -2.581 1.00 . A A . 6 CYS HB3 1 1 15 4050 1 1 6 CYS N N -4.914 -0.131 -1.783 1.00 . A A . 6 CYS N 1 1 15 4051 1 1 6 CYS O O -7.971 1.182 -2.492 1.00 . A A . 6 CYS O 1 1 15 4052 1 1 6 CYS SG S -7.332 -0.990 -4.958 1.00 . A A . 6 CYS SG 1 1 15 4053 1 1 7 GLY C C -7.730 3.446 -0.604 1.00 . A A . 7 GLY C 1 1 15 4054 1 1 7 GLY CA C -6.905 3.653 -1.859 1.00 . A A . 7 GLY CA 1 1 15 4055 1 1 7 GLY H H -5.167 2.517 -2.267 1.00 . A A . 7 GLY H 1 1 15 4056 1 1 7 GLY HA2 H -6.221 4.472 -1.696 1.00 . A A . 7 GLY HA2 1 1 15 4057 1 1 7 GLY HA3 H -7.569 3.908 -2.673 1.00 . A A . 7 GLY HA3 1 1 15 4058 1 1 7 GLY N N -6.145 2.473 -2.226 1.00 . A A . 7 GLY N 1 1 15 4059 1 1 7 GLY O O -8.815 4.011 -0.466 1.00 . A A . 7 GLY O 1 1 15 4060 1 1 8 CYS C C -7.631 3.436 2.583 1.00 . A A . 8 CYS C 1 1 15 4061 1 1 8 CYS CA C -7.907 2.364 1.569 1.00 . A A . 8 CYS CA 1 1 15 4062 1 1 8 CYS CB C -7.427 1.042 2.197 1.00 . A A . 8 CYS CB 1 1 15 4063 1 1 8 CYS H H -6.341 2.219 0.151 1.00 . A A . 8 CYS H 1 1 15 4064 1 1 8 CYS HA H -8.967 2.307 1.377 1.00 . A A . 8 CYS HA 1 1 15 4065 1 1 8 CYS HB2 H -8.130 0.742 2.959 1.00 . A A . 8 CYS HB2 1 1 15 4066 1 1 8 CYS HB3 H -7.394 0.282 1.429 1.00 . A A . 8 CYS HB3 1 1 15 4067 1 1 8 CYS N N -7.212 2.638 0.316 1.00 . A A . 8 CYS N 1 1 15 4068 1 1 8 CYS O O -8.523 3.940 3.264 1.00 . A A . 8 CYS O 1 1 15 4069 1 1 8 CYS SG S -5.755 1.117 2.983 1.00 . A A . 8 CYS SG 1 1 15 4070 1 1 9 CYS C C -4.906 5.610 3.192 1.00 . A A . 9 CYS C 1 1 15 4071 1 1 9 CYS CA C -5.867 4.565 3.754 1.00 . A A . 9 CYS CA 1 1 15 4072 1 1 9 CYS CB C -5.199 3.652 4.770 1.00 . A A . 9 CYS CB 1 1 15 4073 1 1 9 CYS H H -5.704 3.165 2.220 1.00 . A A . 9 CYS H 1 1 15 4074 1 1 9 CYS HA H -6.707 5.055 4.217 1.00 . A A . 9 CYS HA 1 1 15 4075 1 1 9 CYS HB2 H -4.163 3.509 4.497 1.00 . A A . 9 CYS HB2 1 1 15 4076 1 1 9 CYS HB3 H -5.256 4.101 5.750 1.00 . A A . 9 CYS HB3 1 1 15 4077 1 1 9 CYS N N -6.352 3.675 2.748 1.00 . A A . 9 CYS N 1 1 15 4078 1 1 9 CYS O O -5.093 6.810 3.391 1.00 . A A . 9 CYS O 1 1 15 4079 1 1 9 CYS SG S -6.006 1.995 4.858 1.00 . A A . 9 CYS SG 1 1 15 4080 1 1 10 HIS C C -3.461 6.772 0.690 1.00 . A A . 10 HIS C 1 1 15 4081 1 1 10 HIS CA C -2.885 6.037 1.901 1.00 . A A . 10 HIS CA 1 1 15 4082 1 1 10 HIS CB C -1.634 5.246 1.501 1.00 . A A . 10 HIS CB 1 1 15 4083 1 1 10 HIS CD2 C -1.232 4.558 3.976 1.00 . A A . 10 HIS CD2 1 1 15 4084 1 1 10 HIS CE1 C 0.592 3.376 3.685 1.00 . A A . 10 HIS CE1 1 1 15 4085 1 1 10 HIS CG C -0.938 4.582 2.653 1.00 . A A . 10 HIS CG 1 1 15 4086 1 1 10 HIS H H -3.781 4.176 2.367 1.00 . A A . 10 HIS H 1 1 15 4087 1 1 10 HIS HA H -2.612 6.766 2.650 1.00 . A A . 10 HIS HA 1 1 15 4088 1 1 10 HIS HB2 H -1.914 4.476 0.798 1.00 . A A . 10 HIS HB2 1 1 15 4089 1 1 10 HIS HB3 H -0.930 5.917 1.030 1.00 . A A . 10 HIS HB3 1 1 15 4090 1 1 10 HIS HD1 H 0.676 3.661 1.660 1.00 . A A . 10 HIS HD1 1 1 15 4091 1 1 10 HIS HD2 H -2.070 5.044 4.456 1.00 . A A . 10 HIS HD2 1 1 15 4092 1 1 10 HIS HE1 H 1.458 2.759 3.874 1.00 . A A . 10 HIS HE1 1 1 15 4093 1 1 10 HIS HE2 H -0.200 3.635 5.557 1.00 . A A . 10 HIS HE2 1 1 15 4094 1 1 10 HIS N N -3.877 5.143 2.491 1.00 . A A . 10 HIS N 1 1 15 4095 1 1 10 HIS ND1 N 0.210 3.832 2.505 1.00 . A A . 10 HIS ND1 1 1 15 4096 1 1 10 HIS NE2 N -0.266 3.802 4.594 1.00 . A A . 10 HIS NE2 1 1 15 4097 1 1 10 HIS O O -4.631 7.157 0.689 1.00 . A A . 10 HIS O 1 1 15 4098 1 1 11 ARG C C -4.187 6.877 -2.243 1.00 . A A . 11 ARG C 1 1 15 4099 1 1 11 ARG CA C -3.066 7.650 -1.552 1.00 . A A . 11 ARG CA 1 1 15 4100 1 1 11 ARG CB C -1.879 7.847 -2.500 1.00 . A A . 11 ARG CB 1 1 15 4101 1 1 11 ARG CD C -0.951 9.027 -4.516 1.00 . A A . 11 ARG CD 1 1 15 4102 1 1 11 ARG CG C -2.201 8.705 -3.712 1.00 . A A . 11 ARG CG 1 1 15 4103 1 1 11 ARG CZ C -1.814 10.992 -5.735 1.00 . A A . 11 ARG CZ 1 1 15 4104 1 1 11 ARG H H -1.715 6.634 -0.280 1.00 . A A . 11 ARG H 1 1 15 4105 1 1 11 ARG HA H -3.446 8.619 -1.263 1.00 . A A . 11 ARG HA 1 1 15 4106 1 1 11 ARG HB2 H -1.074 8.317 -1.955 1.00 . A A . 11 ARG HB2 1 1 15 4107 1 1 11 ARG HB3 H -1.549 6.878 -2.848 1.00 . A A . 11 ARG HB3 1 1 15 4108 1 1 11 ARG HD2 H -0.284 9.612 -3.901 1.00 . A A . 11 ARG HD2 1 1 15 4109 1 1 11 ARG HD3 H -0.467 8.102 -4.791 1.00 . A A . 11 ARG HD3 1 1 15 4110 1 1 11 ARG HE H -1.042 9.361 -6.589 1.00 . A A . 11 ARG HE 1 1 15 4111 1 1 11 ARG HG2 H -2.895 8.173 -4.343 1.00 . A A . 11 ARG HG2 1 1 15 4112 1 1 11 ARG HG3 H -2.651 9.628 -3.377 1.00 . A A . 11 ARG HG3 1 1 15 4113 1 1 11 ARG HH11 H -1.914 11.149 -3.722 1.00 . A A . 11 ARG HH11 1 1 15 4114 1 1 11 ARG HH12 H -2.528 12.507 -4.603 1.00 . A A . 11 ARG HH12 1 1 15 4115 1 1 11 ARG HH21 H -1.844 11.147 -7.750 1.00 . A A . 11 ARG HH21 1 1 15 4116 1 1 11 ARG HH22 H -2.488 12.506 -6.890 1.00 . A A . 11 ARG HH22 1 1 15 4117 1 1 11 ARG N N -2.636 6.962 -0.338 1.00 . A A . 11 ARG N 1 1 15 4118 1 1 11 ARG NE N -1.258 9.782 -5.731 1.00 . A A . 11 ARG NE 1 1 15 4119 1 1 11 ARG NH1 N -2.109 11.599 -4.593 1.00 . A A . 11 ARG NH1 1 1 15 4120 1 1 11 ARG NH2 N -2.070 11.598 -6.886 1.00 . A A . 11 ARG NH2 1 1 15 4121 1 1 11 ARG O O -4.340 5.673 -2.041 1.00 . A A . 11 ARG O 1 1 15 4122 1 1 12 SER C C -5.622 5.845 -4.658 1.00 . A A . 12 SER C 1 1 15 4123 1 1 12 SER CA C -6.092 6.982 -3.762 1.00 . A A . 12 SER CA 1 1 15 4124 1 1 12 SER CB C -6.816 8.039 -4.598 1.00 . A A . 12 SER CB 1 1 15 4125 1 1 12 SER H H -4.798 8.541 -3.161 1.00 . A A . 12 SER H 1 1 15 4126 1 1 12 SER HA H -6.778 6.585 -3.028 1.00 . A A . 12 SER HA 1 1 15 4127 1 1 12 SER HB2 H -6.137 8.436 -5.339 1.00 . A A . 12 SER HB2 1 1 15 4128 1 1 12 SER HB3 H -7.662 7.584 -5.093 1.00 . A A . 12 SER HB3 1 1 15 4129 1 1 12 SER HG H -6.689 9.855 -3.876 1.00 . A A . 12 SER HG 1 1 15 4130 1 1 12 SER N N -4.973 7.585 -3.047 1.00 . A A . 12 SER N 1 1 15 4131 1 1 12 SER O O -6.288 4.816 -4.774 1.00 . A A . 12 SER O 1 1 15 4132 1 1 12 SER OG O -7.281 9.103 -3.787 1.00 . A A . 12 SER OG 1 1 15 4133 1 1 13 LYS C C -3.644 3.730 -5.437 1.00 . A A . 13 LYS C 1 1 15 4134 1 1 13 LYS CA C -3.914 5.033 -6.186 1.00 . A A . 13 LYS CA 1 1 15 4135 1 1 13 LYS CB C -2.635 5.558 -6.858 1.00 . A A . 13 LYS CB 1 1 15 4136 1 1 13 LYS CD C -0.668 4.707 -5.526 1.00 . A A . 13 LYS CD 1 1 15 4137 1 1 13 LYS CE C 0.459 5.082 -4.576 1.00 . A A . 13 LYS CE 1 1 15 4138 1 1 13 LYS CG C -1.512 5.918 -5.894 1.00 . A A . 13 LYS CG 1 1 15 4139 1 1 13 LYS H H -3.995 6.888 -5.156 1.00 . A A . 13 LYS H 1 1 15 4140 1 1 13 LYS HA H -4.650 4.838 -6.952 1.00 . A A . 13 LYS HA 1 1 15 4141 1 1 13 LYS HB2 H -2.265 4.802 -7.533 1.00 . A A . 13 LYS HB2 1 1 15 4142 1 1 13 LYS HB3 H -2.885 6.442 -7.428 1.00 . A A . 13 LYS HB3 1 1 15 4143 1 1 13 LYS HD2 H -1.297 3.971 -5.050 1.00 . A A . 13 LYS HD2 1 1 15 4144 1 1 13 LYS HD3 H -0.243 4.290 -6.427 1.00 . A A . 13 LYS HD3 1 1 15 4145 1 1 13 LYS HE2 H 0.031 5.502 -3.678 1.00 . A A . 13 LYS HE2 1 1 15 4146 1 1 13 LYS HE3 H 1.013 4.189 -4.326 1.00 . A A . 13 LYS HE3 1 1 15 4147 1 1 13 LYS HG2 H -0.876 6.657 -6.359 1.00 . A A . 13 LYS HG2 1 1 15 4148 1 1 13 LYS HG3 H -1.944 6.330 -4.994 1.00 . A A . 13 LYS HG3 1 1 15 4149 1 1 13 LYS HZ1 H 2.321 5.644 -5.337 1.00 . A A . 13 LYS HZ1 1 1 15 4150 1 1 13 LYS HZ2 H 1.496 6.895 -4.552 1.00 . A A . 13 LYS HZ2 1 1 15 4151 1 1 13 LYS HZ3 H 1.012 6.403 -6.096 1.00 . A A . 13 LYS HZ3 1 1 15 4152 1 1 13 LYS N N -4.474 6.042 -5.291 1.00 . A A . 13 LYS N 1 1 15 4153 1 1 13 LYS NZ N 1.387 6.075 -5.183 1.00 . A A . 13 LYS NZ 1 1 15 4154 1 1 13 LYS O O -3.140 3.738 -4.314 1.00 . A A . 13 LYS O 1 1 15 4155 1 1 14 CYS C C -2.371 0.814 -5.638 1.00 . A A . 14 CYS C 1 1 15 4156 1 1 14 CYS CA C -3.807 1.298 -5.457 1.00 . A A . 14 CYS CA 1 1 15 4157 1 1 14 CYS CB C -4.790 0.289 -6.058 1.00 . A A . 14 CYS CB 1 1 15 4158 1 1 14 CYS H H -4.407 2.671 -6.953 1.00 . A A . 14 CYS H 1 1 15 4159 1 1 14 CYS HA H -4.007 1.393 -4.400 1.00 . A A . 14 CYS HA 1 1 15 4160 1 1 14 CYS HB2 H -4.639 0.240 -7.126 1.00 . A A . 14 CYS HB2 1 1 15 4161 1 1 14 CYS HB3 H -4.605 -0.684 -5.627 1.00 . A A . 14 CYS HB3 1 1 15 4162 1 1 14 CYS N N -3.999 2.612 -6.063 1.00 . A A . 14 CYS N 1 1 15 4163 1 1 14 CYS O O -1.805 0.914 -6.728 1.00 . A A . 14 CYS O 1 1 15 4164 1 1 14 CYS SG S -6.541 0.706 -5.760 1.00 . A A . 14 CYS SG 1 1 15 4165 1 1 15 GLY C C 0.038 -0.802 -3.314 1.00 . A A . 15 GLY C 1 1 15 4166 1 1 15 GLY CA C -0.420 -0.201 -4.628 1.00 . A A . 15 GLY CA 1 1 15 4167 1 1 15 GLY H H -2.282 0.233 -3.719 1.00 . A A . 15 GLY H 1 1 15 4168 1 1 15 GLY HA2 H -0.354 -0.954 -5.399 1.00 . A A . 15 GLY HA2 1 1 15 4169 1 1 15 GLY HA3 H 0.235 0.619 -4.883 1.00 . A A . 15 GLY HA3 1 1 15 4170 1 1 15 GLY N N -1.784 0.289 -4.563 1.00 . A A . 15 GLY N 1 1 15 4171 1 1 15 GLY O O -0.147 -0.205 -2.255 1.00 . A A . 15 GLY O 1 1 15 4172 1 1 16 MET C C 2.051 -1.804 -1.376 1.00 . A A . 16 MET C 1 1 15 4173 1 1 16 MET CA C 1.114 -2.687 -2.198 1.00 . A A . 16 MET CA 1 1 15 4174 1 1 16 MET CB C 1.835 -3.974 -2.600 1.00 . A A . 16 MET CB 1 1 15 4175 1 1 16 MET CE C 3.193 -5.799 -4.819 1.00 . A A . 16 MET CE 1 1 15 4176 1 1 16 MET CG C 0.969 -4.934 -3.399 1.00 . A A . 16 MET CG 1 1 15 4177 1 1 16 MET H H 0.744 -2.411 -4.264 1.00 . A A . 16 MET H 1 1 15 4178 1 1 16 MET HA H 0.256 -2.940 -1.595 1.00 . A A . 16 MET HA 1 1 15 4179 1 1 16 MET HB2 H 2.697 -3.718 -3.198 1.00 . A A . 16 MET HB2 1 1 15 4180 1 1 16 MET HB3 H 2.167 -4.481 -1.706 1.00 . A A . 16 MET HB3 1 1 15 4181 1 1 16 MET HE1 H 2.862 -5.648 -5.836 1.00 . A A . 16 MET HE1 1 1 15 4182 1 1 16 MET HE2 H 4.014 -6.499 -4.807 1.00 . A A . 16 MET HE2 1 1 15 4183 1 1 16 MET HE3 H 3.516 -4.856 -4.401 1.00 . A A . 16 MET HE3 1 1 15 4184 1 1 16 MET HG2 H 0.103 -5.192 -2.810 1.00 . A A . 16 MET HG2 1 1 15 4185 1 1 16 MET HG3 H 0.651 -4.440 -4.307 1.00 . A A . 16 MET HG3 1 1 15 4186 1 1 16 MET N N 0.632 -1.989 -3.387 1.00 . A A . 16 MET N 1 1 15 4187 1 1 16 MET O O 2.934 -1.143 -1.921 1.00 . A A . 16 MET O 1 1 15 4188 1 1 16 MET SD S 1.839 -6.451 -3.842 1.00 . A A . 16 MET SD 1 1 15 4189 1 1 17 CYS C C 3.574 -1.931 1.682 1.00 . A A . 17 CYS C 1 1 15 4190 1 1 17 CYS CA C 2.688 -1.022 0.843 1.00 . A A . 17 CYS CA 1 1 15 4191 1 1 17 CYS CB C 1.824 -0.144 1.751 1.00 . A A . 17 CYS CB 1 1 15 4192 1 1 17 CYS H H 1.140 -2.367 0.317 1.00 . A A . 17 CYS H 1 1 15 4193 1 1 17 CYS HA H 3.321 -0.391 0.239 1.00 . A A . 17 CYS HA 1 1 15 4194 1 1 17 CYS HB2 H 1.084 -0.762 2.235 1.00 . A A . 17 CYS HB2 1 1 15 4195 1 1 17 CYS HB3 H 2.453 0.310 2.503 1.00 . A A . 17 CYS HB3 1 1 15 4196 1 1 17 CYS N N 1.856 -1.810 -0.058 1.00 . A A . 17 CYS N 1 1 15 4197 1 1 17 CYS O O 3.261 -2.243 2.831 1.00 . A A . 17 CYS O 1 1 15 4198 1 1 17 CYS SG S 0.939 1.195 0.889 1.00 . A A . 17 CYS SG 1 1 15 4199 1 1 18 CYS C C 6.189 -2.590 3.012 1.00 . A A . 18 CYS C 1 1 15 4200 1 1 18 CYS CA C 5.624 -3.237 1.754 1.00 . A A . 18 CYS CA 1 1 15 4201 1 1 18 CYS CB C 6.758 -3.615 0.802 1.00 . A A . 18 CYS CB 1 1 15 4202 1 1 18 CYS H H 4.861 -2.071 0.170 1.00 . A A . 18 CYS H 1 1 15 4203 1 1 18 CYS HA H 5.094 -4.135 2.037 1.00 . A A . 18 CYS HA 1 1 15 4204 1 1 18 CYS HB2 H 7.316 -2.726 0.546 1.00 . A A . 18 CYS HB2 1 1 15 4205 1 1 18 CYS HB3 H 7.415 -4.317 1.295 1.00 . A A . 18 CYS HB3 1 1 15 4206 1 1 18 CYS N N 4.679 -2.356 1.087 1.00 . A A . 18 CYS N 1 1 15 4207 1 1 18 CYS O O 6.491 -1.396 3.032 1.00 . A A . 18 CYS O 1 1 15 4208 1 1 18 CYS SG S 6.190 -4.380 -0.751 1.00 . A A . 18 CYS SG 1 1 15 4209 1 1 19 LYS C C 8.152 -2.164 5.168 1.00 . A A . 19 LYS C 1 1 15 4210 1 1 19 LYS CA C 6.844 -2.934 5.339 1.00 . A A . 19 LYS CA 1 1 15 4211 1 1 19 LYS CB C 7.039 -4.124 6.290 1.00 . A A . 19 LYS CB 1 1 15 4212 1 1 19 LYS CD C 9.241 -5.050 5.459 1.00 . A A . 19 LYS CD 1 1 15 4213 1 1 19 LYS CE C 9.906 -6.183 4.696 1.00 . A A . 19 LYS CE 1 1 15 4214 1 1 19 LYS CG C 7.758 -5.316 5.665 1.00 . A A . 19 LYS CG 1 1 15 4215 1 1 19 LYS H H 6.054 -4.333 3.962 1.00 . A A . 19 LYS H 1 1 15 4216 1 1 19 LYS HA H 6.110 -2.268 5.767 1.00 . A A . 19 LYS HA 1 1 15 4217 1 1 19 LYS HB2 H 7.615 -3.795 7.142 1.00 . A A . 19 LYS HB2 1 1 15 4218 1 1 19 LYS HB3 H 6.070 -4.457 6.632 1.00 . A A . 19 LYS HB3 1 1 15 4219 1 1 19 LYS HD2 H 9.360 -4.135 4.901 1.00 . A A . 19 LYS HD2 1 1 15 4220 1 1 19 LYS HD3 H 9.716 -4.951 6.425 1.00 . A A . 19 LYS HD3 1 1 15 4221 1 1 19 LYS HE2 H 9.764 -7.103 5.243 1.00 . A A . 19 LYS HE2 1 1 15 4222 1 1 19 LYS HE3 H 9.440 -6.266 3.724 1.00 . A A . 19 LYS HE3 1 1 15 4223 1 1 19 LYS HG2 H 7.647 -6.169 6.316 1.00 . A A . 19 LYS HG2 1 1 15 4224 1 1 19 LYS HG3 H 7.306 -5.532 4.708 1.00 . A A . 19 LYS HG3 1 1 15 4225 1 1 19 LYS HZ1 H 11.886 -6.266 5.357 1.00 . A A . 19 LYS HZ1 1 1 15 4226 1 1 19 LYS HZ2 H 11.550 -4.936 4.368 1.00 . A A . 19 LYS HZ2 1 1 15 4227 1 1 19 LYS HZ3 H 11.712 -6.476 3.687 1.00 . A A . 19 LYS HZ3 1 1 15 4228 1 1 19 LYS N N 6.321 -3.397 4.057 1.00 . A A . 19 LYS N 1 1 15 4229 1 1 19 LYS NZ N 11.366 -5.949 4.515 1.00 . A A . 19 LYS NZ 1 1 15 4230 1 1 19 LYS O O 8.894 -2.381 4.209 1.00 . A A . 19 LYS O 1 1 15 4231 1 1 20 THR C C 10.881 -1.327 6.114 1.00 . A A . 20 THR C 1 1 15 4232 1 1 20 THR CA C 9.635 -0.448 6.061 1.00 . A A . 20 THR CA 1 1 15 4233 1 1 20 THR CB C 9.678 0.557 7.228 1.00 . A A . 20 THR CB 1 1 15 4234 1 1 20 THR CG2 C 10.949 1.393 7.183 1.00 . A A . 20 THR CG2 1 1 15 4235 1 1 20 THR H H 7.788 -1.126 6.838 1.00 . A A . 20 THR H 1 1 15 4236 1 1 20 THR HA H 9.635 0.107 5.134 1.00 . A A . 20 THR HA 1 1 15 4237 1 1 20 THR HB H 9.659 0.007 8.158 1.00 . A A . 20 THR HB 1 1 15 4238 1 1 20 THR HG1 H 7.796 1.001 7.621 1.00 . A A . 20 THR HG1 1 1 15 4239 1 1 20 THR HG21 H 11.771 0.780 6.844 1.00 . A A . 20 THR HG21 1 1 15 4240 1 1 20 THR HG22 H 11.166 1.771 8.171 1.00 . A A . 20 THR HG22 1 1 15 4241 1 1 20 THR HG23 H 10.812 2.220 6.503 1.00 . A A . 20 THR HG23 1 1 15 4242 1 1 20 THR N N 8.422 -1.257 6.103 1.00 . A A . 20 THR N 1 1 15 4243 1 1 20 THR O O 11.591 -1.408 5.089 1.00 . A A . 20 THR O 1 1 15 4244 1 1 20 THR OXT O 11.137 -1.925 7.180 1.00 . A A . 20 THR OXT 1 1 15 4245 1 1 20 THR OG1 O 8.535 1.419 7.173 1.00 . A A . 20 THR OG1 1 1 16 4246 1 1 1 ILE C C 2.766 -7.975 2.347 1.00 . A A . 1 ILE C 1 1 16 4247 1 1 1 ILE CA C 3.100 -9.431 2.039 1.00 . A A . 1 ILE CA 1 1 16 4248 1 1 1 ILE CB C 1.873 -10.100 1.376 1.00 . A A . 1 ILE CB 1 1 16 4249 1 1 1 ILE CD1 C 0.777 -10.907 3.551 1.00 . A A . 1 ILE CD1 1 1 16 4250 1 1 1 ILE CG1 C 0.647 -10.057 2.302 1.00 . A A . 1 ILE CG1 1 1 16 4251 1 1 1 ILE CG2 C 2.200 -11.533 0.983 1.00 . A A . 1 ILE CG2 1 1 16 4252 1 1 1 ILE H1 H 2.973 -9.835 4.082 1.00 . A A . 1 ILE H1 1 1 16 4253 1 1 1 ILE H2 H 4.535 -9.973 3.450 1.00 . A A . 1 ILE H2 1 1 16 4254 1 1 1 ILE H3 H 3.389 -11.178 3.141 1.00 . A A . 1 ILE H3 1 1 16 4255 1 1 1 ILE HA H 3.917 -9.454 1.332 1.00 . A A . 1 ILE HA 1 1 16 4256 1 1 1 ILE HB H 1.647 -9.555 0.472 1.00 . A A . 1 ILE HB 1 1 16 4257 1 1 1 ILE HD11 H 1.397 -11.765 3.338 1.00 . A A . 1 ILE HD11 1 1 16 4258 1 1 1 ILE HD12 H -0.201 -11.237 3.866 1.00 . A A . 1 ILE HD12 1 1 16 4259 1 1 1 ILE HD13 H 1.230 -10.322 4.338 1.00 . A A . 1 ILE HD13 1 1 16 4260 1 1 1 ILE HG12 H 0.480 -9.039 2.616 1.00 . A A . 1 ILE HG12 1 1 16 4261 1 1 1 ILE HG13 H -0.218 -10.404 1.755 1.00 . A A . 1 ILE HG13 1 1 16 4262 1 1 1 ILE HG21 H 1.405 -11.930 0.370 1.00 . A A . 1 ILE HG21 1 1 16 4263 1 1 1 ILE HG22 H 2.303 -12.136 1.873 1.00 . A A . 1 ILE HG22 1 1 16 4264 1 1 1 ILE HG23 H 3.127 -11.551 0.428 1.00 . A A . 1 ILE HG23 1 1 16 4265 1 1 1 ILE N N 3.529 -10.154 3.263 1.00 . A A . 1 ILE N 1 1 16 4266 1 1 1 ILE O O 2.163 -7.669 3.376 1.00 . A A . 1 ILE O 1 1 16 4267 1 1 2 CYS C C 1.425 -5.364 1.705 1.00 . A A . 2 CYS C 1 1 16 4268 1 1 2 CYS CA C 2.920 -5.654 1.621 1.00 . A A . 2 CYS CA 1 1 16 4269 1 1 2 CYS CB C 3.531 -4.862 0.465 1.00 . A A . 2 CYS CB 1 1 16 4270 1 1 2 CYS H H 3.649 -7.388 0.651 1.00 . A A . 2 CYS H 1 1 16 4271 1 1 2 CYS HA H 3.388 -5.343 2.541 1.00 . A A . 2 CYS HA 1 1 16 4272 1 1 2 CYS HB2 H 3.061 -5.167 -0.458 1.00 . A A . 2 CYS HB2 1 1 16 4273 1 1 2 CYS HB3 H 3.344 -3.812 0.626 1.00 . A A . 2 CYS HB3 1 1 16 4274 1 1 2 CYS N N 3.170 -7.081 1.449 1.00 . A A . 2 CYS N 1 1 16 4275 1 1 2 CYS O O 0.634 -5.876 0.909 1.00 . A A . 2 CYS O 1 1 16 4276 1 1 2 CYS SG S 5.328 -5.081 0.268 1.00 . A A . 2 CYS SG 1 1 16 4277 1 1 3 ILE C C -0.863 -3.445 1.585 1.00 . A A . 3 ILE C 1 1 16 4278 1 1 3 ILE CA C -0.361 -4.171 2.826 1.00 . A A . 3 ILE CA 1 1 16 4279 1 1 3 ILE CB C -0.598 -3.297 4.077 1.00 . A A . 3 ILE CB 1 1 16 4280 1 1 3 ILE CD1 C 0.068 -1.113 5.228 1.00 . A A . 3 ILE CD1 1 1 16 4281 1 1 3 ILE CG1 C 0.244 -2.014 4.023 1.00 . A A . 3 ILE CG1 1 1 16 4282 1 1 3 ILE CG2 C -0.285 -4.092 5.338 1.00 . A A . 3 ILE CG2 1 1 16 4283 1 1 3 ILE H H 1.707 -4.139 3.263 1.00 . A A . 3 ILE H 1 1 16 4284 1 1 3 ILE HA H -0.923 -5.086 2.942 1.00 . A A . 3 ILE HA 1 1 16 4285 1 1 3 ILE HB H -1.644 -3.031 4.103 1.00 . A A . 3 ILE HB 1 1 16 4286 1 1 3 ILE HD11 H -0.972 -1.106 5.522 1.00 . A A . 3 ILE HD11 1 1 16 4287 1 1 3 ILE HD12 H 0.377 -0.110 4.976 1.00 . A A . 3 ILE HD12 1 1 16 4288 1 1 3 ILE HD13 H 0.671 -1.481 6.044 1.00 . A A . 3 ILE HD13 1 1 16 4289 1 1 3 ILE HG12 H 1.287 -2.276 3.955 1.00 . A A . 3 ILE HG12 1 1 16 4290 1 1 3 ILE HG13 H -0.035 -1.449 3.145 1.00 . A A . 3 ILE HG13 1 1 16 4291 1 1 3 ILE HG21 H 0.275 -3.474 6.024 1.00 . A A . 3 ILE HG21 1 1 16 4292 1 1 3 ILE HG22 H 0.298 -4.963 5.079 1.00 . A A . 3 ILE HG22 1 1 16 4293 1 1 3 ILE HG23 H -1.208 -4.402 5.805 1.00 . A A . 3 ILE HG23 1 1 16 4294 1 1 3 ILE N N 1.038 -4.528 2.664 1.00 . A A . 3 ILE N 1 1 16 4295 1 1 3 ILE O O -0.648 -2.245 1.414 1.00 . A A . 3 ILE O 1 1 16 4296 1 1 4 PHE C C -2.852 -2.372 -0.252 1.00 . A A . 4 PHE C 1 1 16 4297 1 1 4 PHE CA C -2.032 -3.628 -0.534 1.00 . A A . 4 PHE CA 1 1 16 4298 1 1 4 PHE CB C -2.881 -4.670 -1.270 1.00 . A A . 4 PHE CB 1 1 16 4299 1 1 4 PHE CD1 C -2.453 -3.563 -3.487 1.00 . A A . 4 PHE CD1 1 1 16 4300 1 1 4 PHE CD2 C -4.594 -4.542 -3.102 1.00 . A A . 4 PHE CD2 1 1 16 4301 1 1 4 PHE CE1 C -2.853 -3.181 -4.754 1.00 . A A . 4 PHE CE1 1 1 16 4302 1 1 4 PHE CE2 C -4.998 -4.163 -4.368 1.00 . A A . 4 PHE CE2 1 1 16 4303 1 1 4 PHE CG C -3.319 -4.246 -2.646 1.00 . A A . 4 PHE CG 1 1 16 4304 1 1 4 PHE CZ C -4.126 -3.481 -5.194 1.00 . A A . 4 PHE CZ 1 1 16 4305 1 1 4 PHE H H -1.636 -5.147 0.890 1.00 . A A . 4 PHE H 1 1 16 4306 1 1 4 PHE HA H -1.186 -3.362 -1.151 1.00 . A A . 4 PHE HA 1 1 16 4307 1 1 4 PHE HB2 H -2.312 -5.581 -1.371 1.00 . A A . 4 PHE HB2 1 1 16 4308 1 1 4 PHE HB3 H -3.770 -4.872 -0.688 1.00 . A A . 4 PHE HB3 1 1 16 4309 1 1 4 PHE HD1 H -1.456 -3.328 -3.143 1.00 . A A . 4 PHE HD1 1 1 16 4310 1 1 4 PHE HD2 H -5.278 -5.073 -2.455 1.00 . A A . 4 PHE HD2 1 1 16 4311 1 1 4 PHE HE1 H -2.169 -2.648 -5.399 1.00 . A A . 4 PHE HE1 1 1 16 4312 1 1 4 PHE HE2 H -5.995 -4.399 -4.710 1.00 . A A . 4 PHE HE2 1 1 16 4313 1 1 4 PHE HZ H -4.440 -3.185 -6.184 1.00 . A A . 4 PHE HZ 1 1 16 4314 1 1 4 PHE N N -1.515 -4.191 0.706 1.00 . A A . 4 PHE N 1 1 16 4315 1 1 4 PHE O O -3.982 -2.448 0.231 1.00 . A A . 4 PHE O 1 1 16 4316 1 1 5 CYS C C -3.874 0.398 -1.463 1.00 . A A . 5 CYS C 1 1 16 4317 1 1 5 CYS CA C -2.918 0.066 -0.330 1.00 . A A . 5 CYS CA 1 1 16 4318 1 1 5 CYS CB C -1.881 1.182 -0.184 1.00 . A A . 5 CYS CB 1 1 16 4319 1 1 5 CYS H H -1.361 -1.231 -0.930 1.00 . A A . 5 CYS H 1 1 16 4320 1 1 5 CYS HA H -3.488 -0.010 0.582 1.00 . A A . 5 CYS HA 1 1 16 4321 1 1 5 CYS HB2 H -1.256 1.194 -1.064 1.00 . A A . 5 CYS HB2 1 1 16 4322 1 1 5 CYS HB3 H -2.392 2.129 -0.100 1.00 . A A . 5 CYS HB3 1 1 16 4323 1 1 5 CYS N N -2.263 -1.218 -0.552 1.00 . A A . 5 CYS N 1 1 16 4324 1 1 5 CYS O O -3.667 1.355 -2.209 1.00 . A A . 5 CYS O 1 1 16 4325 1 1 5 CYS SG S -0.784 1.015 1.259 1.00 . A A . 5 CYS SG 1 1 16 4326 1 1 6 CYS C C -6.924 0.867 -2.199 1.00 . A A . 6 CYS C 1 1 16 4327 1 1 6 CYS CA C -5.916 -0.193 -2.624 1.00 . A A . 6 CYS CA 1 1 16 4328 1 1 6 CYS CB C -6.626 -1.503 -2.967 1.00 . A A . 6 CYS CB 1 1 16 4329 1 1 6 CYS H H -5.027 -1.141 -0.950 1.00 . A A . 6 CYS H 1 1 16 4330 1 1 6 CYS HA H -5.398 0.165 -3.500 1.00 . A A . 6 CYS HA 1 1 16 4331 1 1 6 CYS HB2 H -5.909 -2.310 -2.939 1.00 . A A . 6 CYS HB2 1 1 16 4332 1 1 6 CYS HB3 H -7.398 -1.687 -2.234 1.00 . A A . 6 CYS HB3 1 1 16 4333 1 1 6 CYS N N -4.921 -0.400 -1.582 1.00 . A A . 6 CYS N 1 1 16 4334 1 1 6 CYS O O -8.111 0.587 -2.032 1.00 . A A . 6 CYS O 1 1 16 4335 1 1 6 CYS SG S -7.409 -1.515 -4.614 1.00 . A A . 6 CYS SG 1 1 16 4336 1 1 7 GLY C C -7.766 3.018 -0.172 1.00 . A A . 7 GLY C 1 1 16 4337 1 1 7 GLY CA C -7.281 3.182 -1.598 1.00 . A A . 7 GLY CA 1 1 16 4338 1 1 7 GLY H H -5.473 2.237 -2.160 1.00 . A A . 7 GLY H 1 1 16 4339 1 1 7 GLY HA2 H -6.725 4.105 -1.675 1.00 . A A . 7 GLY HA2 1 1 16 4340 1 1 7 GLY HA3 H -8.137 3.231 -2.255 1.00 . A A . 7 GLY HA3 1 1 16 4341 1 1 7 GLY N N -6.430 2.084 -2.015 1.00 . A A . 7 GLY N 1 1 16 4342 1 1 7 GLY O O -8.891 3.395 0.158 1.00 . A A . 7 GLY O 1 1 16 4343 1 1 8 CYS C C -7.228 3.519 2.872 1.00 . A A . 8 CYS C 1 1 16 4344 1 1 8 CYS CA C -7.251 2.240 2.080 1.00 . A A . 8 CYS CA 1 1 16 4345 1 1 8 CYS CB C -6.242 1.301 2.764 1.00 . A A . 8 CYS CB 1 1 16 4346 1 1 8 CYS H H -6.029 2.178 0.351 1.00 . A A . 8 CYS H 1 1 16 4347 1 1 8 CYS HA H -8.233 1.801 2.133 1.00 . A A . 8 CYS HA 1 1 16 4348 1 1 8 CYS HB2 H -6.543 0.277 2.596 1.00 . A A . 8 CYS HB2 1 1 16 4349 1 1 8 CYS HB3 H -5.263 1.459 2.337 1.00 . A A . 8 CYS HB3 1 1 16 4350 1 1 8 CYS N N -6.910 2.454 0.677 1.00 . A A . 8 CYS N 1 1 16 4351 1 1 8 CYS O O -8.252 4.043 3.309 1.00 . A A . 8 CYS O 1 1 16 4352 1 1 8 CYS SG S -6.114 1.558 4.588 1.00 . A A . 8 CYS SG 1 1 16 4353 1 1 9 CYS C C -4.814 6.070 3.274 1.00 . A A . 9 CYS C 1 1 16 4354 1 1 9 CYS CA C -5.730 5.061 3.963 1.00 . A A . 9 CYS CA 1 1 16 4355 1 1 9 CYS CB C -5.084 4.466 5.204 1.00 . A A . 9 CYS CB 1 1 16 4356 1 1 9 CYS H H -5.258 3.401 2.800 1.00 . A A . 9 CYS H 1 1 16 4357 1 1 9 CYS HA H -6.659 5.534 4.237 1.00 . A A . 9 CYS HA 1 1 16 4358 1 1 9 CYS HB2 H -4.255 5.088 5.510 1.00 . A A . 9 CYS HB2 1 1 16 4359 1 1 9 CYS HB3 H -5.812 4.415 6.000 1.00 . A A . 9 CYS HB3 1 1 16 4360 1 1 9 CYS N N -6.011 3.933 3.131 1.00 . A A . 9 CYS N 1 1 16 4361 1 1 9 CYS O O -5.102 7.267 3.246 1.00 . A A . 9 CYS O 1 1 16 4362 1 1 9 CYS SG S -4.446 2.763 4.910 1.00 . A A . 9 CYS SG 1 1 16 4363 1 1 10 HIS C C -3.297 6.921 0.697 1.00 . A A . 10 HIS C 1 1 16 4364 1 1 10 HIS CA C -2.744 6.432 2.039 1.00 . A A . 10 HIS CA 1 1 16 4365 1 1 10 HIS CB C -1.429 5.676 1.830 1.00 . A A . 10 HIS CB 1 1 16 4366 1 1 10 HIS CD2 C 0.359 5.445 3.695 1.00 . A A . 10 HIS CD2 1 1 16 4367 1 1 10 HIS CE1 C -0.683 3.984 4.956 1.00 . A A . 10 HIS CE1 1 1 16 4368 1 1 10 HIS CG C -0.825 5.164 3.099 1.00 . A A . 10 HIS CG 1 1 16 4369 1 1 10 HIS H H -3.534 4.615 2.782 1.00 . A A . 10 HIS H 1 1 16 4370 1 1 10 HIS HA H -2.558 7.289 2.668 1.00 . A A . 10 HIS HA 1 1 16 4371 1 1 10 HIS HB2 H -1.607 4.831 1.184 1.00 . A A . 10 HIS HB2 1 1 16 4372 1 1 10 HIS HB3 H -0.714 6.337 1.361 1.00 . A A . 10 HIS HB3 1 1 16 4373 1 1 10 HIS HD1 H -2.332 3.844 3.752 1.00 . A A . 10 HIS HD1 1 1 16 4374 1 1 10 HIS HD2 H 1.113 6.129 3.331 1.00 . A A . 10 HIS HD2 1 1 16 4375 1 1 10 HIS HE1 H -0.916 3.301 5.759 1.00 . A A . 10 HIS HE1 1 1 16 4376 1 1 10 HIS HE2 H 1.170 4.686 5.478 1.00 . A A . 10 HIS HE2 1 1 16 4377 1 1 10 HIS N N -3.708 5.577 2.724 1.00 . A A . 10 HIS N 1 1 16 4378 1 1 10 HIS ND1 N -1.453 4.245 3.914 1.00 . A A . 10 HIS ND1 1 1 16 4379 1 1 10 HIS NE2 N 0.421 4.700 4.846 1.00 . A A . 10 HIS NE2 1 1 16 4380 1 1 10 HIS O O -4.461 7.307 0.601 1.00 . A A . 10 HIS O 1 1 16 4381 1 1 11 ARG C C -4.052 6.538 -2.172 1.00 . A A . 11 ARG C 1 1 16 4382 1 1 11 ARG CA C -2.855 7.339 -1.667 1.00 . A A . 11 ARG CA 1 1 16 4383 1 1 11 ARG CB C -1.685 7.198 -2.644 1.00 . A A . 11 ARG CB 1 1 16 4384 1 1 11 ARG CD C -0.040 5.677 -3.786 1.00 . A A . 11 ARG CD 1 1 16 4385 1 1 11 ARG CG C -1.168 5.774 -2.772 1.00 . A A . 11 ARG CG 1 1 16 4386 1 1 11 ARG CZ C 2.206 6.612 -4.153 1.00 . A A . 11 ARG CZ 1 1 16 4387 1 1 11 ARG H H -1.537 6.583 -0.197 1.00 . A A . 11 ARG H 1 1 16 4388 1 1 11 ARG HA H -3.135 8.380 -1.604 1.00 . A A . 11 ARG HA 1 1 16 4389 1 1 11 ARG HB2 H -2.004 7.532 -3.621 1.00 . A A . 11 ARG HB2 1 1 16 4390 1 1 11 ARG HB3 H -0.872 7.824 -2.308 1.00 . A A . 11 ARG HB3 1 1 16 4391 1 1 11 ARG HD2 H 0.294 4.651 -3.835 1.00 . A A . 11 ARG HD2 1 1 16 4392 1 1 11 ARG HD3 H -0.416 5.978 -4.753 1.00 . A A . 11 ARG HD3 1 1 16 4393 1 1 11 ARG HE H 1.019 7.062 -2.613 1.00 . A A . 11 ARG HE 1 1 16 4394 1 1 11 ARG HG2 H -0.802 5.447 -1.810 1.00 . A A . 11 ARG HG2 1 1 16 4395 1 1 11 ARG HG3 H -1.980 5.134 -3.087 1.00 . A A . 11 ARG HG3 1 1 16 4396 1 1 11 ARG HH11 H 1.599 5.294 -5.560 1.00 . A A . 11 ARG HH11 1 1 16 4397 1 1 11 ARG HH12 H 3.177 5.964 -5.803 1.00 . A A . 11 ARG HH12 1 1 16 4398 1 1 11 ARG HH21 H 3.093 7.952 -2.928 1.00 . A A . 11 ARG HH21 1 1 16 4399 1 1 11 ARG HH22 H 4.027 7.475 -4.306 1.00 . A A . 11 ARG HH22 1 1 16 4400 1 1 11 ARG N N -2.453 6.900 -0.335 1.00 . A A . 11 ARG N 1 1 16 4401 1 1 11 ARG NE N 1.092 6.527 -3.431 1.00 . A A . 11 ARG NE 1 1 16 4402 1 1 11 ARG NH1 N 2.338 5.898 -5.263 1.00 . A A . 11 ARG NH1 1 1 16 4403 1 1 11 ARG NH2 N 3.189 7.412 -3.764 1.00 . A A . 11 ARG NH2 1 1 16 4404 1 1 11 ARG O O -4.173 5.344 -1.895 1.00 . A A . 11 ARG O 1 1 16 4405 1 1 12 SER C C -5.718 5.417 -4.393 1.00 . A A . 12 SER C 1 1 16 4406 1 1 12 SER CA C -6.115 6.557 -3.463 1.00 . A A . 12 SER CA 1 1 16 4407 1 1 12 SER CB C -6.977 7.573 -4.214 1.00 . A A . 12 SER CB 1 1 16 4408 1 1 12 SER H H -4.774 8.152 -3.103 1.00 . A A . 12 SER H 1 1 16 4409 1 1 12 SER HA H -6.684 6.153 -2.639 1.00 . A A . 12 SER HA 1 1 16 4410 1 1 12 SER HB2 H -7.287 8.351 -3.535 1.00 . A A . 12 SER HB2 1 1 16 4411 1 1 12 SER HB3 H -6.400 8.005 -5.019 1.00 . A A . 12 SER HB3 1 1 16 4412 1 1 12 SER HG H -7.874 6.183 -5.264 1.00 . A A . 12 SER HG 1 1 16 4413 1 1 12 SER N N -4.930 7.203 -2.914 1.00 . A A . 12 SER N 1 1 16 4414 1 1 12 SER O O -6.379 4.379 -4.440 1.00 . A A . 12 SER O 1 1 16 4415 1 1 12 SER OG O -8.131 6.958 -4.760 1.00 . A A . 12 SER OG 1 1 16 4416 1 1 13 LYS C C -3.791 3.322 -5.337 1.00 . A A . 13 LYS C 1 1 16 4417 1 1 13 LYS CA C -4.139 4.615 -6.066 1.00 . A A . 13 LYS CA 1 1 16 4418 1 1 13 LYS CB C -2.912 5.140 -6.816 1.00 . A A . 13 LYS CB 1 1 16 4419 1 1 13 LYS CD C -1.946 6.860 -8.375 1.00 . A A . 13 LYS CD 1 1 16 4420 1 1 13 LYS CE C -2.225 8.110 -9.193 1.00 . A A . 13 LYS CE 1 1 16 4421 1 1 13 LYS CG C -3.187 6.394 -7.629 1.00 . A A . 13 LYS CG 1 1 16 4422 1 1 13 LYS H H -4.152 6.474 -5.046 1.00 . A A . 13 LYS H 1 1 16 4423 1 1 13 LYS HA H -4.924 4.411 -6.779 1.00 . A A . 13 LYS HA 1 1 16 4424 1 1 13 LYS HB2 H -2.135 5.363 -6.100 1.00 . A A . 13 LYS HB2 1 1 16 4425 1 1 13 LYS HB3 H -2.560 4.372 -7.488 1.00 . A A . 13 LYS HB3 1 1 16 4426 1 1 13 LYS HD2 H -1.167 7.077 -7.660 1.00 . A A . 13 LYS HD2 1 1 16 4427 1 1 13 LYS HD3 H -1.620 6.071 -9.038 1.00 . A A . 13 LYS HD3 1 1 16 4428 1 1 13 LYS HE2 H -1.321 8.396 -9.711 1.00 . A A . 13 LYS HE2 1 1 16 4429 1 1 13 LYS HE3 H -2.998 7.888 -9.915 1.00 . A A . 13 LYS HE3 1 1 16 4430 1 1 13 LYS HG2 H -3.967 6.184 -8.345 1.00 . A A . 13 LYS HG2 1 1 16 4431 1 1 13 LYS HG3 H -3.510 7.179 -6.961 1.00 . A A . 13 LYS HG3 1 1 16 4432 1 1 13 LYS HZ1 H -3.062 8.887 -7.443 1.00 . A A . 13 LYS HZ1 1 1 16 4433 1 1 13 LYS HZ2 H -3.407 9.794 -8.829 1.00 . A A . 13 LYS HZ2 1 1 16 4434 1 1 13 LYS HZ3 H -1.869 9.872 -8.128 1.00 . A A . 13 LYS HZ3 1 1 16 4435 1 1 13 LYS N N -4.633 5.622 -5.133 1.00 . A A . 13 LYS N 1 1 16 4436 1 1 13 LYS NZ N -2.672 9.246 -8.339 1.00 . A A . 13 LYS NZ 1 1 16 4437 1 1 13 LYS O O -3.104 3.339 -4.315 1.00 . A A . 13 LYS O 1 1 16 4438 1 1 14 CYS C C -2.572 0.465 -5.472 1.00 . A A . 14 CYS C 1 1 16 4439 1 1 14 CYS CA C -4.021 0.897 -5.267 1.00 . A A . 14 CYS CA 1 1 16 4440 1 1 14 CYS CB C -4.980 -0.144 -5.853 1.00 . A A . 14 CYS CB 1 1 16 4441 1 1 14 CYS H H -4.817 2.257 -6.681 1.00 . A A . 14 CYS H 1 1 16 4442 1 1 14 CYS HA H -4.207 0.982 -4.207 1.00 . A A . 14 CYS HA 1 1 16 4443 1 1 14 CYS HB2 H -4.860 -0.170 -6.926 1.00 . A A . 14 CYS HB2 1 1 16 4444 1 1 14 CYS HB3 H -4.740 -1.115 -5.445 1.00 . A A . 14 CYS HB3 1 1 16 4445 1 1 14 CYS N N -4.274 2.204 -5.866 1.00 . A A . 14 CYS N 1 1 16 4446 1 1 14 CYS O O -2.037 0.552 -6.579 1.00 . A A . 14 CYS O 1 1 16 4447 1 1 14 CYS SG S -6.738 0.193 -5.497 1.00 . A A . 14 CYS SG 1 1 16 4448 1 1 15 GLY C C -0.044 -0.993 -3.160 1.00 . A A . 15 GLY C 1 1 16 4449 1 1 15 GLY CA C -0.556 -0.444 -4.478 1.00 . A A . 15 GLY CA 1 1 16 4450 1 1 15 GLY H H -2.415 -0.051 -3.539 1.00 . A A . 15 GLY H 1 1 16 4451 1 1 15 GLY HA2 H -0.479 -1.214 -5.232 1.00 . A A . 15 GLY HA2 1 1 16 4452 1 1 15 GLY HA3 H 0.059 0.394 -4.770 1.00 . A A . 15 GLY HA3 1 1 16 4453 1 1 15 GLY N N -1.939 -0.004 -4.396 1.00 . A A . 15 GLY N 1 1 16 4454 1 1 15 GLY O O -0.193 -0.359 -2.118 1.00 . A A . 15 GLY O 1 1 16 4455 1 1 16 MET C C 2.039 -1.898 -1.252 1.00 . A A . 16 MET C 1 1 16 4456 1 1 16 MET CA C 1.099 -2.825 -2.017 1.00 . A A . 16 MET CA 1 1 16 4457 1 1 16 MET CB C 1.831 -4.111 -2.408 1.00 . A A . 16 MET CB 1 1 16 4458 1 1 16 MET CE C 2.969 -5.941 -4.773 1.00 . A A . 16 MET CE 1 1 16 4459 1 1 16 MET CG C 0.931 -5.139 -3.075 1.00 . A A . 16 MET CG 1 1 16 4460 1 1 16 MET H H 0.647 -2.629 -4.077 1.00 . A A . 16 MET H 1 1 16 4461 1 1 16 MET HA H 0.268 -3.079 -1.376 1.00 . A A . 16 MET HA 1 1 16 4462 1 1 16 MET HB2 H 2.629 -3.864 -3.092 1.00 . A A . 16 MET HB2 1 1 16 4463 1 1 16 MET HB3 H 2.253 -4.555 -1.520 1.00 . A A . 16 MET HB3 1 1 16 4464 1 1 16 MET HE1 H 3.168 -6.675 -5.541 1.00 . A A . 16 MET HE1 1 1 16 4465 1 1 16 MET HE2 H 3.892 -5.681 -4.277 1.00 . A A . 16 MET HE2 1 1 16 4466 1 1 16 MET HE3 H 2.539 -5.059 -5.223 1.00 . A A . 16 MET HE3 1 1 16 4467 1 1 16 MET HG2 H 0.155 -5.423 -2.379 1.00 . A A . 16 MET HG2 1 1 16 4468 1 1 16 MET HG3 H 0.482 -4.691 -3.949 1.00 . A A . 16 MET HG3 1 1 16 4469 1 1 16 MET N N 0.561 -2.177 -3.211 1.00 . A A . 16 MET N 1 1 16 4470 1 1 16 MET O O 2.767 -1.104 -1.849 1.00 . A A . 16 MET O 1 1 16 4471 1 1 16 MET SD S 1.821 -6.623 -3.579 1.00 . A A . 16 MET SD 1 1 16 4472 1 1 17 CYS C C 3.552 -1.982 2.011 1.00 . A A . 17 CYS C 1 1 16 4473 1 1 17 CYS CA C 2.858 -1.160 0.926 1.00 . A A . 17 CYS CA 1 1 16 4474 1 1 17 CYS CB C 2.022 -0.068 1.596 1.00 . A A . 17 CYS CB 1 1 16 4475 1 1 17 CYS H H 1.403 -2.649 0.496 1.00 . A A . 17 CYS H 1 1 16 4476 1 1 17 CYS HA H 3.607 -0.698 0.301 1.00 . A A . 17 CYS HA 1 1 16 4477 1 1 17 CYS HB2 H 1.312 -0.532 2.264 1.00 . A A . 17 CYS HB2 1 1 16 4478 1 1 17 CYS HB3 H 2.677 0.572 2.169 1.00 . A A . 17 CYS HB3 1 1 16 4479 1 1 17 CYS N N 2.011 -1.999 0.078 1.00 . A A . 17 CYS N 1 1 16 4480 1 1 17 CYS O O 2.906 -2.723 2.746 1.00 . A A . 17 CYS O 1 1 16 4481 1 1 17 CYS SG S 1.082 0.986 0.449 1.00 . A A . 17 CYS SG 1 1 16 4482 1 1 18 CYS C C 6.353 -1.571 4.070 1.00 . A A . 18 CYS C 1 1 16 4483 1 1 18 CYS CA C 5.637 -2.543 3.139 1.00 . A A . 18 CYS CA 1 1 16 4484 1 1 18 CYS CB C 6.654 -3.495 2.504 1.00 . A A . 18 CYS CB 1 1 16 4485 1 1 18 CYS H H 5.330 -1.209 1.520 1.00 . A A . 18 CYS H 1 1 16 4486 1 1 18 CYS HA H 4.939 -3.124 3.725 1.00 . A A . 18 CYS HA 1 1 16 4487 1 1 18 CYS HB2 H 6.987 -3.080 1.564 1.00 . A A . 18 CYS HB2 1 1 16 4488 1 1 18 CYS HB3 H 7.502 -3.595 3.168 1.00 . A A . 18 CYS HB3 1 1 16 4489 1 1 18 CYS N N 4.868 -1.829 2.122 1.00 . A A . 18 CYS N 1 1 16 4490 1 1 18 CYS O O 6.343 -0.360 3.852 1.00 . A A . 18 CYS O 1 1 16 4491 1 1 18 CYS SG S 6.011 -5.169 2.174 1.00 . A A . 18 CYS SG 1 1 16 4492 1 1 19 LYS C C 8.751 -0.451 5.422 1.00 . A A . 19 LYS C 1 1 16 4493 1 1 19 LYS CA C 7.696 -1.326 6.092 1.00 . A A . 19 LYS CA 1 1 16 4494 1 1 19 LYS CB C 8.356 -2.257 7.109 1.00 . A A . 19 LYS CB 1 1 16 4495 1 1 19 LYS CD C 9.635 -4.410 7.343 1.00 . A A . 19 LYS CD 1 1 16 4496 1 1 19 LYS CE C 8.398 -5.296 7.366 1.00 . A A . 19 LYS CE 1 1 16 4497 1 1 19 LYS CG C 9.407 -3.170 6.495 1.00 . A A . 19 LYS CG 1 1 16 4498 1 1 19 LYS H H 6.934 -3.094 5.221 1.00 . A A . 19 LYS H 1 1 16 4499 1 1 19 LYS HA H 6.987 -0.694 6.603 1.00 . A A . 19 LYS HA 1 1 16 4500 1 1 19 LYS HB2 H 8.830 -1.660 7.874 1.00 . A A . 19 LYS HB2 1 1 16 4501 1 1 19 LYS HB3 H 7.595 -2.873 7.564 1.00 . A A . 19 LYS HB3 1 1 16 4502 1 1 19 LYS HD2 H 10.460 -4.971 6.930 1.00 . A A . 19 LYS HD2 1 1 16 4503 1 1 19 LYS HD3 H 9.870 -4.107 8.353 1.00 . A A . 19 LYS HD3 1 1 16 4504 1 1 19 LYS HE2 H 7.581 -4.737 7.799 1.00 . A A . 19 LYS HE2 1 1 16 4505 1 1 19 LYS HE3 H 8.148 -5.568 6.351 1.00 . A A . 19 LYS HE3 1 1 16 4506 1 1 19 LYS HG2 H 9.075 -3.474 5.513 1.00 . A A . 19 LYS HG2 1 1 16 4507 1 1 19 LYS HG3 H 10.336 -2.626 6.411 1.00 . A A . 19 LYS HG3 1 1 16 4508 1 1 19 LYS HZ1 H 8.946 -7.303 7.547 1.00 . A A . 19 LYS HZ1 1 1 16 4509 1 1 19 LYS HZ2 H 7.725 -6.828 8.617 1.00 . A A . 19 LYS HZ2 1 1 16 4510 1 1 19 LYS HZ3 H 9.326 -6.364 8.903 1.00 . A A . 19 LYS HZ3 1 1 16 4511 1 1 19 LYS N N 6.969 -2.121 5.109 1.00 . A A . 19 LYS N 1 1 16 4512 1 1 19 LYS NZ N 8.614 -6.534 8.164 1.00 . A A . 19 LYS NZ 1 1 16 4513 1 1 19 LYS O O 9.432 -0.883 4.492 1.00 . A A . 19 LYS O 1 1 16 4514 1 1 20 THR C C 11.272 1.174 5.478 1.00 . A A . 20 THR C 1 1 16 4515 1 1 20 THR CA C 9.852 1.720 5.353 1.00 . A A . 20 THR CA 1 1 16 4516 1 1 20 THR CB C 9.775 3.088 6.058 1.00 . A A . 20 THR CB 1 1 16 4517 1 1 20 THR CG2 C 10.779 4.065 5.464 1.00 . A A . 20 THR CG2 1 1 16 4518 1 1 20 THR H H 8.309 1.068 6.646 1.00 . A A . 20 THR H 1 1 16 4519 1 1 20 THR HA H 9.622 1.863 4.306 1.00 . A A . 20 THR HA 1 1 16 4520 1 1 20 THR HB H 10.006 2.951 7.105 1.00 . A A . 20 THR HB 1 1 16 4521 1 1 20 THR HG1 H 8.180 3.603 5.018 1.00 . A A . 20 THR HG1 1 1 16 4522 1 1 20 THR HG21 H 11.432 4.428 6.244 1.00 . A A . 20 THR HG21 1 1 16 4523 1 1 20 THR HG22 H 10.252 4.897 5.021 1.00 . A A . 20 THR HG22 1 1 16 4524 1 1 20 THR HG23 H 11.363 3.565 4.707 1.00 . A A . 20 THR HG23 1 1 16 4525 1 1 20 THR N N 8.881 0.782 5.903 1.00 . A A . 20 THR N 1 1 16 4526 1 1 20 THR O O 11.829 1.226 6.594 1.00 . A A . 20 THR O 1 1 16 4527 1 1 20 THR OXT O 11.813 0.698 4.458 1.00 . A A . 20 THR OXT 1 1 16 4528 1 1 20 THR OG1 O 8.453 3.627 5.938 1.00 . A A . 20 THR OG1 1 1 17 4529 1 1 1 ILE C C 3.304 -7.555 2.468 1.00 . A A . 1 ILE C 1 1 17 4530 1 1 1 ILE CA C 3.750 -9.011 2.353 1.00 . A A . 1 ILE CA 1 1 17 4531 1 1 1 ILE CB C 2.565 -9.935 2.700 1.00 . A A . 1 ILE CB 1 1 17 4532 1 1 1 ILE CD1 C 0.985 -10.614 4.584 1.00 . A A . 1 ILE CD1 1 1 17 4533 1 1 1 ILE CG1 C 2.193 -9.796 4.179 1.00 . A A . 1 ILE CG1 1 1 17 4534 1 1 1 ILE CG2 C 2.914 -11.379 2.365 1.00 . A A . 1 ILE CG2 1 1 17 4535 1 1 1 ILE H1 H 5.029 -8.517 3.925 1.00 . A A . 1 ILE H1 1 1 17 4536 1 1 1 ILE H2 H 5.784 -9.349 2.661 1.00 . A A . 1 ILE H2 1 1 17 4537 1 1 1 ILE H3 H 4.780 -10.181 3.739 1.00 . A A . 1 ILE H3 1 1 17 4538 1 1 1 ILE HA H 4.043 -9.204 1.331 1.00 . A A . 1 ILE HA 1 1 17 4539 1 1 1 ILE HB H 1.720 -9.644 2.093 1.00 . A A . 1 ILE HB 1 1 17 4540 1 1 1 ILE HD11 H 0.111 -10.246 4.068 1.00 . A A . 1 ILE HD11 1 1 17 4541 1 1 1 ILE HD12 H 0.836 -10.531 5.650 1.00 . A A . 1 ILE HD12 1 1 17 4542 1 1 1 ILE HD13 H 1.147 -11.650 4.323 1.00 . A A . 1 ILE HD13 1 1 17 4543 1 1 1 ILE HG12 H 3.027 -10.119 4.783 1.00 . A A . 1 ILE HG12 1 1 17 4544 1 1 1 ILE HG13 H 1.980 -8.759 4.393 1.00 . A A . 1 ILE HG13 1 1 17 4545 1 1 1 ILE HG21 H 2.486 -11.641 1.408 1.00 . A A . 1 ILE HG21 1 1 17 4546 1 1 1 ILE HG22 H 2.514 -12.031 3.128 1.00 . A A . 1 ILE HG22 1 1 17 4547 1 1 1 ILE HG23 H 3.987 -11.490 2.323 1.00 . A A . 1 ILE HG23 1 1 17 4548 1 1 1 ILE N N 4.917 -9.283 3.231 1.00 . A A . 1 ILE N 1 1 17 4549 1 1 1 ILE O O 3.106 -7.039 3.568 1.00 . A A . 1 ILE O 1 1 17 4550 1 1 2 CYS C C 1.234 -5.352 1.425 1.00 . A A . 2 CYS C 1 1 17 4551 1 1 2 CYS CA C 2.749 -5.500 1.290 1.00 . A A . 2 CYS CA 1 1 17 4552 1 1 2 CYS CB C 3.210 -4.838 -0.010 1.00 . A A . 2 CYS CB 1 1 17 4553 1 1 2 CYS H H 3.340 -7.357 0.481 1.00 . A A . 2 CYS H 1 1 17 4554 1 1 2 CYS HA H 3.221 -5.001 2.118 1.00 . A A . 2 CYS HA 1 1 17 4555 1 1 2 CYS HB2 H 2.691 -5.294 -0.839 1.00 . A A . 2 CYS HB2 1 1 17 4556 1 1 2 CYS HB3 H 2.961 -3.788 0.028 1.00 . A A . 2 CYS HB3 1 1 17 4557 1 1 2 CYS N N 3.159 -6.897 1.322 1.00 . A A . 2 CYS N 1 1 17 4558 1 1 2 CYS O O 0.467 -5.956 0.670 1.00 . A A . 2 CYS O 1 1 17 4559 1 1 2 CYS SG S 4.997 -4.973 -0.337 1.00 . A A . 2 CYS SG 1 1 17 4560 1 1 3 ILE C C -1.168 -3.481 1.390 1.00 . A A . 3 ILE C 1 1 17 4561 1 1 3 ILE CA C -0.613 -4.282 2.557 1.00 . A A . 3 ILE CA 1 1 17 4562 1 1 3 ILE CB C -0.892 -3.535 3.868 1.00 . A A . 3 ILE CB 1 1 17 4563 1 1 3 ILE CD1 C -0.218 -1.441 5.155 1.00 . A A . 3 ILE CD1 1 1 17 4564 1 1 3 ILE CG1 C 0.158 -2.446 4.088 1.00 . A A . 3 ILE CG1 1 1 17 4565 1 1 3 ILE CG2 C -0.920 -4.507 5.038 1.00 . A A . 3 ILE CG2 1 1 17 4566 1 1 3 ILE H H 1.450 -4.039 2.922 1.00 . A A . 3 ILE H 1 1 17 4567 1 1 3 ILE HA H -1.113 -5.236 2.596 1.00 . A A . 3 ILE HA 1 1 17 4568 1 1 3 ILE HB H -1.866 -3.079 3.787 1.00 . A A . 3 ILE HB 1 1 17 4569 1 1 3 ILE HD11 H 0.193 -1.753 6.104 1.00 . A A . 3 ILE HD11 1 1 17 4570 1 1 3 ILE HD12 H -1.294 -1.381 5.230 1.00 . A A . 3 ILE HD12 1 1 17 4571 1 1 3 ILE HD13 H 0.179 -0.472 4.892 1.00 . A A . 3 ILE HD13 1 1 17 4572 1 1 3 ILE HG12 H 1.083 -2.913 4.389 1.00 . A A . 3 ILE HG12 1 1 17 4573 1 1 3 ILE HG13 H 0.317 -1.918 3.163 1.00 . A A . 3 ILE HG13 1 1 17 4574 1 1 3 ILE HG21 H -1.840 -5.072 5.015 1.00 . A A . 3 ILE HG21 1 1 17 4575 1 1 3 ILE HG22 H -0.859 -3.957 5.965 1.00 . A A . 3 ILE HG22 1 1 17 4576 1 1 3 ILE HG23 H -0.081 -5.182 4.965 1.00 . A A . 3 ILE HG23 1 1 17 4577 1 1 3 ILE N N 0.804 -4.521 2.365 1.00 . A A . 3 ILE N 1 1 17 4578 1 1 3 ILE O O -1.026 -2.259 1.334 1.00 . A A . 3 ILE O 1 1 17 4579 1 1 4 PHE C C -3.178 -2.329 -0.371 1.00 . A A . 4 PHE C 1 1 17 4580 1 1 4 PHE CA C -2.349 -3.561 -0.739 1.00 . A A . 4 PHE CA 1 1 17 4581 1 1 4 PHE CB C -3.216 -4.571 -1.494 1.00 . A A . 4 PHE CB 1 1 17 4582 1 1 4 PHE CD1 C -2.819 -3.422 -3.695 1.00 . A A . 4 PHE CD1 1 1 17 4583 1 1 4 PHE CD2 C -4.984 -4.326 -3.260 1.00 . A A . 4 PHE CD2 1 1 17 4584 1 1 4 PHE CE1 C -3.245 -2.991 -4.936 1.00 . A A . 4 PHE CE1 1 1 17 4585 1 1 4 PHE CE2 C -5.415 -3.896 -4.501 1.00 . A A . 4 PHE CE2 1 1 17 4586 1 1 4 PHE CG C -3.683 -4.094 -2.842 1.00 . A A . 4 PHE CG 1 1 17 4587 1 1 4 PHE CZ C -4.545 -3.228 -5.339 1.00 . A A . 4 PHE CZ 1 1 17 4588 1 1 4 PHE H H -1.834 -5.162 0.551 1.00 . A A . 4 PHE H 1 1 17 4589 1 1 4 PHE HA H -1.533 -3.254 -1.376 1.00 . A A . 4 PHE HA 1 1 17 4590 1 1 4 PHE HB2 H -2.650 -5.478 -1.642 1.00 . A A . 4 PHE HB2 1 1 17 4591 1 1 4 PHE HB3 H -4.091 -4.793 -0.901 1.00 . A A . 4 PHE HB3 1 1 17 4592 1 1 4 PHE HD1 H -1.804 -3.235 -3.380 1.00 . A A . 4 PHE HD1 1 1 17 4593 1 1 4 PHE HD2 H -5.665 -4.846 -2.604 1.00 . A A . 4 PHE HD2 1 1 17 4594 1 1 4 PHE HE1 H -2.563 -2.468 -5.591 1.00 . A A . 4 PHE HE1 1 1 17 4595 1 1 4 PHE HE2 H -6.430 -4.084 -4.814 1.00 . A A . 4 PHE HE2 1 1 17 4596 1 1 4 PHE HZ H -4.880 -2.893 -6.310 1.00 . A A . 4 PHE HZ 1 1 17 4597 1 1 4 PHE N N -1.780 -4.187 0.450 1.00 . A A . 4 PHE N 1 1 17 4598 1 1 4 PHE O O -4.289 -2.446 0.147 1.00 . A A . 4 PHE O 1 1 17 4599 1 1 5 CYS C C -4.253 0.487 -1.476 1.00 . A A . 5 CYS C 1 1 17 4600 1 1 5 CYS CA C -3.296 0.111 -0.357 1.00 . A A . 5 CYS CA 1 1 17 4601 1 1 5 CYS CB C -2.275 1.234 -0.159 1.00 . A A . 5 CYS CB 1 1 17 4602 1 1 5 CYS H H -1.738 -1.131 -1.064 1.00 . A A . 5 CYS H 1 1 17 4603 1 1 5 CYS HA H -3.864 -0.018 0.550 1.00 . A A . 5 CYS HA 1 1 17 4604 1 1 5 CYS HB2 H -1.687 1.335 -1.058 1.00 . A A . 5 CYS HB2 1 1 17 4605 1 1 5 CYS HB3 H -2.803 2.160 0.022 1.00 . A A . 5 CYS HB3 1 1 17 4606 1 1 5 CYS N N -2.623 -1.152 -0.649 1.00 . A A . 5 CYS N 1 1 17 4607 1 1 5 CYS O O -4.008 1.430 -2.227 1.00 . A A . 5 CYS O 1 1 17 4608 1 1 5 CYS SG S -1.122 0.974 1.225 1.00 . A A . 5 CYS SG 1 1 17 4609 1 1 6 CYS C C -7.261 1.133 -2.220 1.00 . A A . 6 CYS C 1 1 17 4610 1 1 6 CYS CA C -6.329 -0.001 -2.626 1.00 . A A . 6 CYS CA 1 1 17 4611 1 1 6 CYS CB C -7.124 -1.265 -2.948 1.00 . A A . 6 CYS CB 1 1 17 4612 1 1 6 CYS H H -5.478 -0.999 -0.959 1.00 . A A . 6 CYS H 1 1 17 4613 1 1 6 CYS HA H -5.791 0.308 -3.507 1.00 . A A . 6 CYS HA 1 1 17 4614 1 1 6 CYS HB2 H -6.463 -2.118 -2.908 1.00 . A A . 6 CYS HB2 1 1 17 4615 1 1 6 CYS HB3 H -7.906 -1.387 -2.213 1.00 . A A . 6 CYS HB3 1 1 17 4616 1 1 6 CYS N N -5.340 -0.260 -1.587 1.00 . A A . 6 CYS N 1 1 17 4617 1 1 6 CYS O O -8.475 0.953 -2.109 1.00 . A A . 6 CYS O 1 1 17 4618 1 1 6 CYS SG S -7.907 -1.248 -4.596 1.00 . A A . 6 CYS SG 1 1 17 4619 1 1 7 GLY C C -8.171 3.276 -0.299 1.00 . A A . 7 GLY C 1 1 17 4620 1 1 7 GLY CA C -7.444 3.469 -1.614 1.00 . A A . 7 GLY CA 1 1 17 4621 1 1 7 GLY H H -5.705 2.375 -2.115 1.00 . A A . 7 GLY H 1 1 17 4622 1 1 7 GLY HA2 H -6.777 4.313 -1.522 1.00 . A A . 7 GLY HA2 1 1 17 4623 1 1 7 GLY HA3 H -8.171 3.682 -2.385 1.00 . A A . 7 GLY HA3 1 1 17 4624 1 1 7 GLY N N -6.675 2.303 -2.004 1.00 . A A . 7 GLY N 1 1 17 4625 1 1 7 GLY O O -9.307 3.723 -0.139 1.00 . A A . 7 GLY O 1 1 17 4626 1 1 8 CYS C C -7.706 3.425 2.945 1.00 . A A . 8 CYS C 1 1 17 4627 1 1 8 CYS CA C -8.112 2.367 1.957 1.00 . A A . 8 CYS CA 1 1 17 4628 1 1 8 CYS CB C -7.643 1.022 2.545 1.00 . A A . 8 CYS CB 1 1 17 4629 1 1 8 CYS H H -6.612 2.280 0.465 1.00 . A A . 8 CYS H 1 1 17 4630 1 1 8 CYS HA H -9.186 2.357 1.854 1.00 . A A . 8 CYS HA 1 1 17 4631 1 1 8 CYS HB2 H -8.306 0.744 3.351 1.00 . A A . 8 CYS HB2 1 1 17 4632 1 1 8 CYS HB3 H -7.693 0.267 1.774 1.00 . A A . 8 CYS HB3 1 1 17 4633 1 1 8 CYS N N -7.515 2.611 0.649 1.00 . A A . 8 CYS N 1 1 17 4634 1 1 8 CYS O O -8.522 3.974 3.685 1.00 . A A . 8 CYS O 1 1 17 4635 1 1 8 CYS SG S -5.921 1.022 3.218 1.00 . A A . 8 CYS SG 1 1 17 4636 1 1 9 CYS C C -4.832 5.457 3.361 1.00 . A A . 9 CYS C 1 1 17 4637 1 1 9 CYS CA C -5.812 4.466 3.985 1.00 . A A . 9 CYS CA 1 1 17 4638 1 1 9 CYS CB C -5.131 3.523 4.964 1.00 . A A . 9 CYS CB 1 1 17 4639 1 1 9 CYS H H -5.824 3.057 2.448 1.00 . A A . 9 CYS H 1 1 17 4640 1 1 9 CYS HA H -6.594 5.003 4.498 1.00 . A A . 9 CYS HA 1 1 17 4641 1 1 9 CYS HB2 H -4.121 3.329 4.632 1.00 . A A . 9 CYS HB2 1 1 17 4642 1 1 9 CYS HB3 H -5.110 3.976 5.944 1.00 . A A . 9 CYS HB3 1 1 17 4643 1 1 9 CYS N N -6.409 3.600 3.018 1.00 . A A . 9 CYS N 1 1 17 4644 1 1 9 CYS O O -4.973 6.669 3.520 1.00 . A A . 9 CYS O 1 1 17 4645 1 1 9 CYS SG S -6.009 1.906 5.105 1.00 . A A . 9 CYS SG 1 1 17 4646 1 1 10 HIS C C -3.378 6.440 0.759 1.00 . A A . 10 HIS C 1 1 17 4647 1 1 10 HIS CA C -2.823 5.764 2.014 1.00 . A A . 10 HIS CA 1 1 17 4648 1 1 10 HIS CB C -1.590 4.922 1.669 1.00 . A A . 10 HIS CB 1 1 17 4649 1 1 10 HIS CD2 C 0.385 4.531 3.305 1.00 . A A . 10 HIS CD2 1 1 17 4650 1 1 10 HIS CE1 C -0.632 3.207 4.727 1.00 . A A . 10 HIS CE1 1 1 17 4651 1 1 10 HIS CG C -0.887 4.366 2.870 1.00 . A A . 10 HIS CG 1 1 17 4652 1 1 10 HIS H H -3.773 3.956 2.572 1.00 . A A . 10 HIS H 1 1 17 4653 1 1 10 HIS HA H -2.534 6.530 2.718 1.00 . A A . 10 HIS HA 1 1 17 4654 1 1 10 HIS HB2 H -1.893 4.091 1.049 1.00 . A A . 10 HIS HB2 1 1 17 4655 1 1 10 HIS HB3 H -0.887 5.534 1.124 1.00 . A A . 10 HIS HB3 1 1 17 4656 1 1 10 HIS HD1 H -2.427 3.223 3.744 1.00 . A A . 10 HIS HD1 1 1 17 4657 1 1 10 HIS HD2 H 1.153 5.126 2.832 1.00 . A A . 10 HIS HD2 1 1 17 4658 1 1 10 HIS HE1 H -0.830 2.565 5.573 1.00 . A A . 10 HIS HE1 1 1 17 4659 1 1 10 HIS HE2 H 1.352 3.662 4.954 1.00 . A A . 10 HIS HE2 1 1 17 4660 1 1 10 HIS N N -3.833 4.930 2.658 1.00 . A A . 10 HIS N 1 1 17 4661 1 1 10 HIS ND1 N -1.498 3.531 3.782 1.00 . A A . 10 HIS ND1 1 1 17 4662 1 1 10 HIS NE2 N 0.517 3.800 4.460 1.00 . A A . 10 HIS NE2 1 1 17 4663 1 1 10 HIS O O -4.521 6.898 0.745 1.00 . A A . 10 HIS O 1 1 17 4664 1 1 11 ARG C C -4.215 6.453 -2.115 1.00 . A A . 11 ARG C 1 1 17 4665 1 1 11 ARG CA C -2.965 7.121 -1.551 1.00 . A A . 11 ARG CA 1 1 17 4666 1 1 11 ARG CB C -1.831 7.041 -2.575 1.00 . A A . 11 ARG CB 1 1 17 4667 1 1 11 ARG CD C 0.521 7.663 -3.198 1.00 . A A . 11 ARG CD 1 1 17 4668 1 1 11 ARG CG C -0.584 7.807 -2.165 1.00 . A A . 11 ARG CG 1 1 17 4669 1 1 11 ARG CZ C 2.831 8.437 -3.551 1.00 . A A . 11 ARG CZ 1 1 17 4670 1 1 11 ARG H H -1.660 6.122 -0.221 1.00 . A A . 11 ARG H 1 1 17 4671 1 1 11 ARG HA H -3.186 8.159 -1.352 1.00 . A A . 11 ARG HA 1 1 17 4672 1 1 11 ARG HB2 H -1.560 6.005 -2.714 1.00 . A A . 11 ARG HB2 1 1 17 4673 1 1 11 ARG HB3 H -2.181 7.443 -3.514 1.00 . A A . 11 ARG HB3 1 1 17 4674 1 1 11 ARG HD2 H 0.791 6.620 -3.275 1.00 . A A . 11 ARG HD2 1 1 17 4675 1 1 11 ARG HD3 H 0.152 8.011 -4.152 1.00 . A A . 11 ARG HD3 1 1 17 4676 1 1 11 ARG HE H 1.663 8.984 -2.029 1.00 . A A . 11 ARG HE 1 1 17 4677 1 1 11 ARG HG2 H -0.833 8.853 -2.062 1.00 . A A . 11 ARG HG2 1 1 17 4678 1 1 11 ARG HG3 H -0.233 7.423 -1.219 1.00 . A A . 11 ARG HG3 1 1 17 4679 1 1 11 ARG HH11 H 2.164 7.118 -4.928 1.00 . A A . 11 ARG HH11 1 1 17 4680 1 1 11 ARG HH12 H 3.779 7.692 -5.173 1.00 . A A . 11 ARG HH12 1 1 17 4681 1 1 11 ARG HH21 H 3.785 9.750 -2.346 1.00 . A A . 11 ARG HH21 1 1 17 4682 1 1 11 ARG HH22 H 4.699 9.192 -3.707 1.00 . A A . 11 ARG HH22 1 1 17 4683 1 1 11 ARG N N -2.560 6.501 -0.293 1.00 . A A . 11 ARG N 1 1 17 4684 1 1 11 ARG NE N 1.708 8.433 -2.838 1.00 . A A . 11 ARG NE 1 1 17 4685 1 1 11 ARG NH1 N 2.933 7.688 -4.640 1.00 . A A . 11 ARG NH1 1 1 17 4686 1 1 11 ARG NH2 N 3.857 9.187 -3.170 1.00 . A A . 11 ARG NH2 1 1 17 4687 1 1 11 ARG O O -4.424 5.253 -1.934 1.00 . A A . 11 ARG O 1 1 17 4688 1 1 12 SER C C -5.945 5.609 -4.383 1.00 . A A . 12 SER C 1 1 17 4689 1 1 12 SER CA C -6.264 6.727 -3.403 1.00 . A A . 12 SER CA 1 1 17 4690 1 1 12 SER CB C -7.019 7.852 -4.114 1.00 . A A . 12 SER CB 1 1 17 4691 1 1 12 SER H H -4.811 8.183 -2.918 1.00 . A A . 12 SER H 1 1 17 4692 1 1 12 SER HA H -6.882 6.332 -2.611 1.00 . A A . 12 SER HA 1 1 17 4693 1 1 12 SER HB2 H -7.919 7.455 -4.559 1.00 . A A . 12 SER HB2 1 1 17 4694 1 1 12 SER HB3 H -7.280 8.618 -3.398 1.00 . A A . 12 SER HB3 1 1 17 4695 1 1 12 SER HG H -5.559 8.999 -4.737 1.00 . A A . 12 SER HG 1 1 17 4696 1 1 12 SER N N -5.039 7.239 -2.803 1.00 . A A . 12 SER N 1 1 17 4697 1 1 12 SER O O -6.674 4.622 -4.477 1.00 . A A . 12 SER O 1 1 17 4698 1 1 12 SER OG O -6.224 8.433 -5.134 1.00 . A A . 12 SER OG 1 1 17 4699 1 1 13 LYS C C -4.084 3.454 -5.383 1.00 . A A . 13 LYS C 1 1 17 4700 1 1 13 LYS CA C -4.416 4.771 -6.078 1.00 . A A . 13 LYS CA 1 1 17 4701 1 1 13 LYS CB C -3.201 5.276 -6.861 1.00 . A A . 13 LYS CB 1 1 17 4702 1 1 13 LYS CD C -0.857 6.193 -6.799 1.00 . A A . 13 LYS CD 1 1 17 4703 1 1 13 LYS CE C -0.267 5.072 -7.640 1.00 . A A . 13 LYS CE 1 1 17 4704 1 1 13 LYS CG C -2.043 5.711 -5.976 1.00 . A A . 13 LYS CG 1 1 17 4705 1 1 13 LYS H H -4.302 6.580 -4.977 1.00 . A A . 13 LYS H 1 1 17 4706 1 1 13 LYS HA H -5.233 4.606 -6.764 1.00 . A A . 13 LYS HA 1 1 17 4707 1 1 13 LYS HB2 H -2.853 4.484 -7.509 1.00 . A A . 13 LYS HB2 1 1 17 4708 1 1 13 LYS HB3 H -3.501 6.118 -7.466 1.00 . A A . 13 LYS HB3 1 1 17 4709 1 1 13 LYS HD2 H -1.185 6.985 -7.454 1.00 . A A . 13 LYS HD2 1 1 17 4710 1 1 13 LYS HD3 H -0.097 6.568 -6.130 1.00 . A A . 13 LYS HD3 1 1 17 4711 1 1 13 LYS HE2 H -1.031 4.695 -8.304 1.00 . A A . 13 LYS HE2 1 1 17 4712 1 1 13 LYS HE3 H 0.552 5.469 -8.223 1.00 . A A . 13 LYS HE3 1 1 17 4713 1 1 13 LYS HG2 H -2.374 6.518 -5.338 1.00 . A A . 13 LYS HG2 1 1 17 4714 1 1 13 LYS HG3 H -1.733 4.874 -5.368 1.00 . A A . 13 LYS HG3 1 1 17 4715 1 1 13 LYS HZ1 H 1.224 3.735 -7.046 1.00 . A A . 13 LYS HZ1 1 1 17 4716 1 1 13 LYS HZ2 H -0.342 3.102 -6.949 1.00 . A A . 13 LYS HZ2 1 1 17 4717 1 1 13 LYS HZ3 H 0.193 4.215 -5.792 1.00 . A A . 13 LYS HZ3 1 1 17 4718 1 1 13 LYS N N -4.844 5.770 -5.106 1.00 . A A . 13 LYS N 1 1 17 4719 1 1 13 LYS NZ N 0.237 3.953 -6.798 1.00 . A A . 13 LYS NZ 1 1 17 4720 1 1 13 LYS O O -3.314 3.424 -4.423 1.00 . A A . 13 LYS O 1 1 17 4721 1 1 14 CYS C C -3.015 0.579 -5.558 1.00 . A A . 14 CYS C 1 1 17 4722 1 1 14 CYS CA C -4.443 1.049 -5.297 1.00 . A A . 14 CYS CA 1 1 17 4723 1 1 14 CYS CB C -5.450 0.045 -5.866 1.00 . A A . 14 CYS CB 1 1 17 4724 1 1 14 CYS H H -5.280 2.457 -6.637 1.00 . A A . 14 CYS H 1 1 17 4725 1 1 14 CYS HA H -4.592 1.126 -4.230 1.00 . A A . 14 CYS HA 1 1 17 4726 1 1 14 CYS HB2 H -5.353 0.018 -6.941 1.00 . A A . 14 CYS HB2 1 1 17 4727 1 1 14 CYS HB3 H -5.238 -0.934 -5.465 1.00 . A A . 14 CYS HB3 1 1 17 4728 1 1 14 CYS N N -4.673 2.369 -5.872 1.00 . A A . 14 CYS N 1 1 17 4729 1 1 14 CYS O O -2.528 0.640 -6.687 1.00 . A A . 14 CYS O 1 1 17 4730 1 1 14 CYS SG S -7.188 0.444 -5.474 1.00 . A A . 14 CYS SG 1 1 17 4731 1 1 15 GLY C C -0.426 -0.939 -3.353 1.00 . A A . 15 GLY C 1 1 17 4732 1 1 15 GLY CA C -0.979 -0.359 -4.642 1.00 . A A . 15 GLY CA 1 1 17 4733 1 1 15 GLY H H -2.784 0.087 -3.627 1.00 . A A . 15 GLY H 1 1 17 4734 1 1 15 GLY HA2 H -0.949 -1.121 -5.407 1.00 . A A . 15 GLY HA2 1 1 17 4735 1 1 15 GLY HA3 H -0.355 0.468 -4.948 1.00 . A A . 15 GLY HA3 1 1 17 4736 1 1 15 GLY N N -2.346 0.111 -4.504 1.00 . A A . 15 GLY N 1 1 17 4737 1 1 15 GLY O O -0.535 -0.326 -2.292 1.00 . A A . 15 GLY O 1 1 17 4738 1 1 16 MET C C 1.718 -1.904 -1.541 1.00 . A A . 16 MET C 1 1 17 4739 1 1 16 MET CA C 0.746 -2.810 -2.298 1.00 . A A . 16 MET CA 1 1 17 4740 1 1 16 MET CB C 1.464 -4.081 -2.756 1.00 . A A . 16 MET CB 1 1 17 4741 1 1 16 MET CE C 2.568 -5.837 -5.202 1.00 . A A . 16 MET CE 1 1 17 4742 1 1 16 MET CG C 0.552 -5.075 -3.457 1.00 . A A . 16 MET CG 1 1 17 4743 1 1 16 MET H H 0.219 -2.556 -4.332 1.00 . A A . 16 MET H 1 1 17 4744 1 1 16 MET HA H -0.060 -3.083 -1.636 1.00 . A A . 16 MET HA 1 1 17 4745 1 1 16 MET HB2 H 2.255 -3.807 -3.439 1.00 . A A . 16 MET HB2 1 1 17 4746 1 1 16 MET HB3 H 1.896 -4.566 -1.896 1.00 . A A . 16 MET HB3 1 1 17 4747 1 1 16 MET HE1 H 2.069 -5.716 -6.153 1.00 . A A . 16 MET HE1 1 1 17 4748 1 1 16 MET HE2 H 3.417 -6.493 -5.322 1.00 . A A . 16 MET HE2 1 1 17 4749 1 1 16 MET HE3 H 2.903 -4.874 -4.846 1.00 . A A . 16 MET HE3 1 1 17 4750 1 1 16 MET HG2 H -0.224 -5.376 -2.771 1.00 . A A . 16 MET HG2 1 1 17 4751 1 1 16 MET HG3 H 0.106 -4.592 -4.313 1.00 . A A . 16 MET HG3 1 1 17 4752 1 1 16 MET N N 0.169 -2.126 -3.453 1.00 . A A . 16 MET N 1 1 17 4753 1 1 16 MET O O 2.502 -1.175 -2.150 1.00 . A A . 16 MET O 1 1 17 4754 1 1 16 MET SD S 1.428 -6.548 -4.017 1.00 . A A . 16 MET SD 1 1 17 4755 1 1 17 CYS C C 3.313 -1.968 1.632 1.00 . A A . 17 CYS C 1 1 17 4756 1 1 17 CYS CA C 2.530 -1.125 0.626 1.00 . A A . 17 CYS CA 1 1 17 4757 1 1 17 CYS CB C 1.708 -0.085 1.390 1.00 . A A . 17 CYS CB 1 1 17 4758 1 1 17 CYS H H 1.007 -2.547 0.222 1.00 . A A . 17 CYS H 1 1 17 4759 1 1 17 CYS HA H 3.227 -0.614 -0.021 1.00 . A A . 17 CYS HA 1 1 17 4760 1 1 17 CYS HB2 H 1.033 -0.597 2.060 1.00 . A A . 17 CYS HB2 1 1 17 4761 1 1 17 CYS HB3 H 2.377 0.533 1.970 1.00 . A A . 17 CYS HB3 1 1 17 4762 1 1 17 CYS N N 1.656 -1.950 -0.208 1.00 . A A . 17 CYS N 1 1 17 4763 1 1 17 CYS O O 2.732 -2.728 2.402 1.00 . A A . 17 CYS O 1 1 17 4764 1 1 17 CYS SG S 0.707 1.015 0.342 1.00 . A A . 17 CYS SG 1 1 17 4765 1 1 18 CYS C C 6.257 -1.559 3.470 1.00 . A A . 18 CYS C 1 1 17 4766 1 1 18 CYS CA C 5.489 -2.527 2.579 1.00 . A A . 18 CYS CA 1 1 17 4767 1 1 18 CYS CB C 6.468 -3.444 1.841 1.00 . A A . 18 CYS CB 1 1 17 4768 1 1 18 CYS H H 5.038 -1.163 1.021 1.00 . A A . 18 CYS H 1 1 17 4769 1 1 18 CYS HA H 4.849 -3.133 3.204 1.00 . A A . 18 CYS HA 1 1 17 4770 1 1 18 CYS HB2 H 6.722 -2.997 0.891 1.00 . A A . 18 CYS HB2 1 1 17 4771 1 1 18 CYS HB3 H 7.365 -3.551 2.434 1.00 . A A . 18 CYS HB3 1 1 17 4772 1 1 18 CYS N N 4.632 -1.803 1.643 1.00 . A A . 18 CYS N 1 1 17 4773 1 1 18 CYS O O 6.630 -0.467 3.040 1.00 . A A . 18 CYS O 1 1 17 4774 1 1 18 CYS SG S 5.821 -5.115 1.507 1.00 . A A . 18 CYS SG 1 1 17 4775 1 1 19 LYS C C 8.487 -0.579 5.086 1.00 . A A . 19 LYS C 1 1 17 4776 1 1 19 LYS CA C 7.203 -1.145 5.684 1.00 . A A . 19 LYS CA 1 1 17 4777 1 1 19 LYS CB C 7.504 -1.960 6.951 1.00 . A A . 19 LYS CB 1 1 17 4778 1 1 19 LYS CD C 9.578 -3.258 6.319 1.00 . A A . 19 LYS CD 1 1 17 4779 1 1 19 LYS CE C 10.122 -4.617 5.909 1.00 . A A . 19 LYS CE 1 1 17 4780 1 1 19 LYS CG C 8.102 -3.335 6.682 1.00 . A A . 19 LYS CG 1 1 17 4781 1 1 19 LYS H H 6.154 -2.848 4.994 1.00 . A A . 19 LYS H 1 1 17 4782 1 1 19 LYS HA H 6.559 -0.320 5.951 1.00 . A A . 19 LYS HA 1 1 17 4783 1 1 19 LYS HB2 H 8.199 -1.404 7.562 1.00 . A A . 19 LYS HB2 1 1 17 4784 1 1 19 LYS HB3 H 6.584 -2.094 7.503 1.00 . A A . 19 LYS HB3 1 1 17 4785 1 1 19 LYS HD2 H 9.702 -2.569 5.499 1.00 . A A . 19 LYS HD2 1 1 17 4786 1 1 19 LYS HD3 H 10.130 -2.902 7.177 1.00 . A A . 19 LYS HD3 1 1 17 4787 1 1 19 LYS HE2 H 9.974 -5.311 6.722 1.00 . A A . 19 LYS HE2 1 1 17 4788 1 1 19 LYS HE3 H 9.577 -4.958 5.039 1.00 . A A . 19 LYS HE3 1 1 17 4789 1 1 19 LYS HG2 H 7.995 -3.941 7.569 1.00 . A A . 19 LYS HG2 1 1 17 4790 1 1 19 LYS HG3 H 7.565 -3.795 5.866 1.00 . A A . 19 LYS HG3 1 1 17 4791 1 1 19 LYS HZ1 H 12.129 -4.995 6.343 1.00 . A A . 19 LYS HZ1 1 1 17 4792 1 1 19 LYS HZ2 H 11.875 -3.569 5.469 1.00 . A A . 19 LYS HZ2 1 1 17 4793 1 1 19 LYS HZ3 H 11.760 -5.067 4.693 1.00 . A A . 19 LYS HZ3 1 1 17 4794 1 1 19 LYS N N 6.483 -1.969 4.718 1.00 . A A . 19 LYS N 1 1 17 4795 1 1 19 LYS NZ N 11.573 -4.558 5.580 1.00 . A A . 19 LYS NZ 1 1 17 4796 1 1 19 LYS O O 9.139 -1.221 4.263 1.00 . A A . 19 LYS O 1 1 17 4797 1 1 20 THR C C 11.288 0.517 5.366 1.00 . A A . 20 THR C 1 1 17 4798 1 1 20 THR CA C 10.032 1.299 4.996 1.00 . A A . 20 THR CA 1 1 17 4799 1 1 20 THR CB C 10.151 2.733 5.544 1.00 . A A . 20 THR CB 1 1 17 4800 1 1 20 THR CG2 C 8.960 3.576 5.115 1.00 . A A . 20 THR CG2 1 1 17 4801 1 1 20 THR H H 8.267 1.102 6.144 1.00 . A A . 20 THR H 1 1 17 4802 1 1 20 THR HA H 9.959 1.353 3.919 1.00 . A A . 20 THR HA 1 1 17 4803 1 1 20 THR HB H 11.052 3.182 5.150 1.00 . A A . 20 THR HB 1 1 17 4804 1 1 20 THR HG1 H 9.390 2.983 7.348 1.00 . A A . 20 THR HG1 1 1 17 4805 1 1 20 THR HG21 H 8.645 4.200 5.938 1.00 . A A . 20 THR HG21 1 1 17 4806 1 1 20 THR HG22 H 8.147 2.928 4.823 1.00 . A A . 20 THR HG22 1 1 17 4807 1 1 20 THR HG23 H 9.242 4.199 4.279 1.00 . A A . 20 THR HG23 1 1 17 4808 1 1 20 THR N N 8.835 0.637 5.496 1.00 . A A . 20 THR N 1 1 17 4809 1 1 20 THR O O 12.208 0.445 4.524 1.00 . A A . 20 THR O 1 1 17 4810 1 1 20 THR OXT O 11.341 -0.017 6.493 1.00 . A A . 20 THR OXT 1 1 17 4811 1 1 20 THR OG1 O 10.230 2.706 6.975 1.00 . A A . 20 THR OG1 1 1 18 4812 1 1 1 ILE C C 2.776 -8.932 2.432 1.00 . A A . 1 ILE C 1 1 18 4813 1 1 1 ILE CA C 3.010 -10.403 2.106 1.00 . A A . 1 ILE CA 1 1 18 4814 1 1 1 ILE CB C 1.732 -10.991 1.466 1.00 . A A . 1 ILE CB 1 1 18 4815 1 1 1 ILE CD1 C 0.614 -11.684 3.669 1.00 . A A . 1 ILE CD1 1 1 18 4816 1 1 1 ILE CG1 C 0.523 -10.853 2.405 1.00 . A A . 1 ILE CG1 1 1 18 4817 1 1 1 ILE CG2 C 1.955 -12.449 1.087 1.00 . A A . 1 ILE CG2 1 1 18 4818 1 1 1 ILE H1 H 4.443 -11.052 3.476 1.00 . A A . 1 ILE H1 1 1 18 4819 1 1 1 ILE H2 H 3.202 -12.168 3.200 1.00 . A A . 1 ILE H2 1 1 18 4820 1 1 1 ILE H3 H 2.912 -10.800 4.151 1.00 . A A . 1 ILE H3 1 1 18 4821 1 1 1 ILE HA H 3.811 -10.471 1.383 1.00 . A A . 1 ILE HA 1 1 18 4822 1 1 1 ILE HB H 1.534 -10.442 0.558 1.00 . A A . 1 ILE HB 1 1 18 4823 1 1 1 ILE HD11 H 1.048 -12.646 3.437 1.00 . A A . 1 ILE HD11 1 1 18 4824 1 1 1 ILE HD12 H -0.374 -11.825 4.080 1.00 . A A . 1 ILE HD12 1 1 18 4825 1 1 1 ILE HD13 H 1.235 -11.175 4.390 1.00 . A A . 1 ILE HD13 1 1 18 4826 1 1 1 ILE HG12 H 0.422 -9.820 2.700 1.00 . A A . 1 ILE HG12 1 1 18 4827 1 1 1 ILE HG13 H -0.368 -11.156 1.874 1.00 . A A . 1 ILE HG13 1 1 18 4828 1 1 1 ILE HG21 H 3.003 -12.610 0.881 1.00 . A A . 1 ILE HG21 1 1 18 4829 1 1 1 ILE HG22 H 1.374 -12.686 0.209 1.00 . A A . 1 ILE HG22 1 1 18 4830 1 1 1 ILE HG23 H 1.648 -13.084 1.905 1.00 . A A . 1 ILE HG23 1 1 18 4831 1 1 1 ILE N N 3.420 -11.159 3.317 1.00 . A A . 1 ILE N 1 1 18 4832 1 1 1 ILE O O 2.260 -8.594 3.498 1.00 . A A . 1 ILE O 1 1 18 4833 1 1 2 CYS C C 1.534 -6.254 1.879 1.00 . A A . 2 CYS C 1 1 18 4834 1 1 2 CYS CA C 3.004 -6.622 1.691 1.00 . A A . 2 CYS CA 1 1 18 4835 1 1 2 CYS CB C 3.569 -5.867 0.487 1.00 . A A . 2 CYS CB 1 1 18 4836 1 1 2 CYS H H 3.574 -8.392 0.680 1.00 . A A . 2 CYS H 1 1 18 4837 1 1 2 CYS HA H 3.552 -6.334 2.574 1.00 . A A . 2 CYS HA 1 1 18 4838 1 1 2 CYS HB2 H 2.978 -6.104 -0.384 1.00 . A A . 2 CYS HB2 1 1 18 4839 1 1 2 CYS HB3 H 3.506 -4.807 0.679 1.00 . A A . 2 CYS HB3 1 1 18 4840 1 1 2 CYS N N 3.165 -8.060 1.507 1.00 . A A . 2 CYS N 1 1 18 4841 1 1 2 CYS O O 0.662 -6.746 1.158 1.00 . A A . 2 CYS O 1 1 18 4842 1 1 2 CYS SG S 5.305 -6.258 0.095 1.00 . A A . 2 CYS SG 1 1 18 4843 1 1 3 ILE C C -0.612 -4.122 1.903 1.00 . A A . 3 ILE C 1 1 18 4844 1 1 3 ILE CA C -0.101 -4.936 3.079 1.00 . A A . 3 ILE CA 1 1 18 4845 1 1 3 ILE CB C -0.213 -4.106 4.366 1.00 . A A . 3 ILE CB 1 1 18 4846 1 1 3 ILE CD1 C 0.765 -2.034 5.481 1.00 . A A . 3 ILE CD1 1 1 18 4847 1 1 3 ILE CG1 C 0.975 -3.152 4.482 1.00 . A A . 3 ILE CG1 1 1 18 4848 1 1 3 ILE CG2 C -0.293 -5.019 5.581 1.00 . A A . 3 ILE CG2 1 1 18 4849 1 1 3 ILE H H 1.989 -4.990 3.365 1.00 . A A . 3 ILE H 1 1 18 4850 1 1 3 ILE HA H -0.719 -5.814 3.190 1.00 . A A . 3 ILE HA 1 1 18 4851 1 1 3 ILE HB H -1.124 -3.536 4.312 1.00 . A A . 3 ILE HB 1 1 18 4852 1 1 3 ILE HD11 H 1.610 -1.361 5.451 1.00 . A A . 3 ILE HD11 1 1 18 4853 1 1 3 ILE HD12 H 0.672 -2.450 6.474 1.00 . A A . 3 ILE HD12 1 1 18 4854 1 1 3 ILE HD13 H -0.135 -1.492 5.231 1.00 . A A . 3 ILE HD13 1 1 18 4855 1 1 3 ILE HG12 H 1.841 -3.713 4.796 1.00 . A A . 3 ILE HG12 1 1 18 4856 1 1 3 ILE HG13 H 1.171 -2.713 3.517 1.00 . A A . 3 ILE HG13 1 1 18 4857 1 1 3 ILE HG21 H -1.248 -5.525 5.589 1.00 . A A . 3 ILE HG21 1 1 18 4858 1 1 3 ILE HG22 H -0.190 -4.431 6.481 1.00 . A A . 3 ILE HG22 1 1 18 4859 1 1 3 ILE HG23 H 0.501 -5.750 5.536 1.00 . A A . 3 ILE HG23 1 1 18 4860 1 1 3 ILE N N 1.260 -5.371 2.832 1.00 . A A . 3 ILE N 1 1 18 4861 1 1 3 ILE O O -0.338 -2.926 1.788 1.00 . A A . 3 ILE O 1 1 18 4862 1 1 4 PHE C C -2.593 -2.849 0.179 1.00 . A A . 4 PHE C 1 1 18 4863 1 1 4 PHE CA C -1.886 -4.156 -0.172 1.00 . A A . 4 PHE CA 1 1 18 4864 1 1 4 PHE CB C -2.856 -5.117 -0.865 1.00 . A A . 4 PHE CB 1 1 18 4865 1 1 4 PHE CD1 C -2.486 -4.017 -3.097 1.00 . A A . 4 PHE CD1 1 1 18 4866 1 1 4 PHE CD2 C -4.665 -4.838 -2.580 1.00 . A A . 4 PHE CD2 1 1 18 4867 1 1 4 PHE CE1 C -2.937 -3.592 -4.332 1.00 . A A . 4 PHE CE1 1 1 18 4868 1 1 4 PHE CE2 C -5.121 -4.414 -3.813 1.00 . A A . 4 PHE CE2 1 1 18 4869 1 1 4 PHE CG C -3.345 -4.644 -2.206 1.00 . A A . 4 PHE CG 1 1 18 4870 1 1 4 PHE CZ C -4.255 -3.790 -4.690 1.00 . A A . 4 PHE CZ 1 1 18 4871 1 1 4 PHE H H -1.501 -5.746 1.172 1.00 . A A . 4 PHE H 1 1 18 4872 1 1 4 PHE HA H -1.065 -3.942 -0.839 1.00 . A A . 4 PHE HA 1 1 18 4873 1 1 4 PHE HB2 H -2.363 -6.066 -1.012 1.00 . A A . 4 PHE HB2 1 1 18 4874 1 1 4 PHE HB3 H -3.717 -5.262 -0.230 1.00 . A A . 4 PHE HB3 1 1 18 4875 1 1 4 PHE HD1 H -1.455 -3.859 -2.817 1.00 . A A . 4 PHE HD1 1 1 18 4876 1 1 4 PHE HD2 H -5.343 -5.327 -1.895 1.00 . A A . 4 PHE HD2 1 1 18 4877 1 1 4 PHE HE1 H -2.259 -3.103 -5.016 1.00 . A A . 4 PHE HE1 1 1 18 4878 1 1 4 PHE HE2 H -6.153 -4.570 -4.091 1.00 . A A . 4 PHE HE2 1 1 18 4879 1 1 4 PHE HZ H -4.610 -3.459 -5.656 1.00 . A A . 4 PHE HZ 1 1 18 4880 1 1 4 PHE N N -1.340 -4.791 1.021 1.00 . A A . 4 PHE N 1 1 18 4881 1 1 4 PHE O O -3.678 -2.850 0.760 1.00 . A A . 4 PHE O 1 1 18 4882 1 1 5 CYS C C -3.459 0.014 -1.026 1.00 . A A . 5 CYS C 1 1 18 4883 1 1 5 CYS CA C -2.512 -0.410 0.083 1.00 . A A . 5 CYS CA 1 1 18 4884 1 1 5 CYS CB C -1.389 0.620 0.230 1.00 . A A . 5 CYS CB 1 1 18 4885 1 1 5 CYS H H -1.101 -1.805 -0.645 1.00 . A A . 5 CYS H 1 1 18 4886 1 1 5 CYS HA H -3.069 -0.464 1.004 1.00 . A A . 5 CYS HA 1 1 18 4887 1 1 5 CYS HB2 H -0.801 0.629 -0.675 1.00 . A A . 5 CYS HB2 1 1 18 4888 1 1 5 CYS HB3 H -1.827 1.597 0.376 1.00 . A A . 5 CYS HB3 1 1 18 4889 1 1 5 CYS N N -1.961 -1.735 -0.184 1.00 . A A . 5 CYS N 1 1 18 4890 1 1 5 CYS O O -3.161 0.925 -1.799 1.00 . A A . 5 CYS O 1 1 18 4891 1 1 5 CYS SG S -0.253 0.310 1.620 1.00 . A A . 5 CYS SG 1 1 18 4892 1 1 6 CYS C C -6.424 0.859 -1.727 1.00 . A A . 6 CYS C 1 1 18 4893 1 1 6 CYS CA C -5.587 -0.350 -2.125 1.00 . A A . 6 CYS CA 1 1 18 4894 1 1 6 CYS CB C -6.481 -1.561 -2.398 1.00 . A A . 6 CYS CB 1 1 18 4895 1 1 6 CYS H H -4.770 -1.373 -0.457 1.00 . A A . 6 CYS H 1 1 18 4896 1 1 6 CYS HA H -5.050 -0.103 -3.026 1.00 . A A . 6 CYS HA 1 1 18 4897 1 1 6 CYS HB2 H -5.883 -2.459 -2.358 1.00 . A A . 6 CYS HB2 1 1 18 4898 1 1 6 CYS HB3 H -7.248 -1.611 -1.639 1.00 . A A . 6 CYS HB3 1 1 18 4899 1 1 6 CYS N N -4.597 -0.656 -1.102 1.00 . A A . 6 CYS N 1 1 18 4900 1 1 6 CYS O O -7.643 0.769 -1.576 1.00 . A A . 6 CYS O 1 1 18 4901 1 1 6 CYS SG S -7.310 -1.520 -4.022 1.00 . A A . 6 CYS SG 1 1 18 4902 1 1 7 GLY C C -7.122 3.124 0.155 1.00 . A A . 7 GLY C 1 1 18 4903 1 1 7 GLY CA C -6.423 3.220 -1.188 1.00 . A A . 7 GLY CA 1 1 18 4904 1 1 7 GLY H H -4.781 1.989 -1.704 1.00 . A A . 7 GLY H 1 1 18 4905 1 1 7 GLY HA2 H -5.694 4.017 -1.144 1.00 . A A . 7 GLY HA2 1 1 18 4906 1 1 7 GLY HA3 H -7.155 3.459 -1.945 1.00 . A A . 7 GLY HA3 1 1 18 4907 1 1 7 GLY N N -5.749 1.990 -1.563 1.00 . A A . 7 GLY N 1 1 18 4908 1 1 7 GLY O O -8.243 3.607 0.311 1.00 . A A . 7 GLY O 1 1 18 4909 1 1 8 CYS C C -7.003 3.648 3.218 1.00 . A A . 8 CYS C 1 1 18 4910 1 1 8 CYS CA C -7.037 2.350 2.460 1.00 . A A . 8 CYS CA 1 1 18 4911 1 1 8 CYS CB C -6.241 1.338 3.305 1.00 . A A . 8 CYS CB 1 1 18 4912 1 1 8 CYS H H -5.571 2.135 0.944 1.00 . A A . 8 CYS H 1 1 18 4913 1 1 8 CYS HA H -8.056 2.012 2.363 1.00 . A A . 8 CYS HA 1 1 18 4914 1 1 8 CYS HB2 H -6.838 1.048 4.156 1.00 . A A . 8 CYS HB2 1 1 18 4915 1 1 8 CYS HB3 H -6.038 0.463 2.704 1.00 . A A . 8 CYS HB3 1 1 18 4916 1 1 8 CYS N N -6.462 2.501 1.127 1.00 . A A . 8 CYS N 1 1 18 4917 1 1 8 CYS O O -7.981 4.065 3.841 1.00 . A A . 8 CYS O 1 1 18 4918 1 1 8 CYS SG S -4.624 1.962 3.949 1.00 . A A . 8 CYS SG 1 1 18 4919 1 1 9 CYS C C -4.864 6.470 3.218 1.00 . A A . 9 CYS C 1 1 18 4920 1 1 9 CYS CA C -5.545 5.371 4.031 1.00 . A A . 9 CYS CA 1 1 18 4921 1 1 9 CYS CB C -4.667 4.869 5.167 1.00 . A A . 9 CYS CB 1 1 18 4922 1 1 9 CYS H H -5.072 3.757 2.799 1.00 . A A . 9 CYS H 1 1 18 4923 1 1 9 CYS HA H -6.472 5.740 4.437 1.00 . A A . 9 CYS HA 1 1 18 4924 1 1 9 CYS HB2 H -3.630 4.917 4.868 1.00 . A A . 9 CYS HB2 1 1 18 4925 1 1 9 CYS HB3 H -4.823 5.484 6.040 1.00 . A A . 9 CYS HB3 1 1 18 4926 1 1 9 CYS N N -5.815 4.203 3.253 1.00 . A A . 9 CYS N 1 1 18 4927 1 1 9 CYS O O -5.358 7.595 3.141 1.00 . A A . 9 CYS O 1 1 18 4928 1 1 9 CYS SG S -5.051 3.124 5.628 1.00 . A A . 9 CYS SG 1 1 18 4929 1 1 10 HIS C C -3.662 7.362 0.481 1.00 . A A . 10 HIS C 1 1 18 4930 1 1 10 HIS CA C -2.969 7.093 1.818 1.00 . A A . 10 HIS CA 1 1 18 4931 1 1 10 HIS CB C -1.546 6.579 1.589 1.00 . A A . 10 HIS CB 1 1 18 4932 1 1 10 HIS CD2 C 0.421 7.021 3.221 1.00 . A A . 10 HIS CD2 1 1 18 4933 1 1 10 HIS CE1 C -0.237 5.734 4.870 1.00 . A A . 10 HIS CE1 1 1 18 4934 1 1 10 HIS CG C -0.749 6.447 2.849 1.00 . A A . 10 HIS CG 1 1 18 4935 1 1 10 HIS H H -3.381 5.224 2.723 1.00 . A A . 10 HIS H 1 1 18 4936 1 1 10 HIS HA H -2.920 8.018 2.372 1.00 . A A . 10 HIS HA 1 1 18 4937 1 1 10 HIS HB2 H -1.593 5.607 1.122 1.00 . A A . 10 HIS HB2 1 1 18 4938 1 1 10 HIS HB3 H -1.025 7.262 0.933 1.00 . A A . 10 HIS HB3 1 1 18 4939 1 1 10 HIS HD1 H -1.944 5.096 3.940 1.00 . A A . 10 HIS HD1 1 1 18 4940 1 1 10 HIS HD2 H 1.011 7.713 2.636 1.00 . A A . 10 HIS HD2 1 1 18 4941 1 1 10 HIS HE1 H -0.276 5.217 5.817 1.00 . A A . 10 HIS HE1 1 1 18 4942 1 1 10 HIS HE2 H 1.531 6.763 4.986 1.00 . A A . 10 HIS HE2 1 1 18 4943 1 1 10 HIS N N -3.725 6.136 2.619 1.00 . A A . 10 HIS N 1 1 18 4944 1 1 10 HIS ND1 N -1.133 5.645 3.904 1.00 . A A . 10 HIS ND1 1 1 18 4945 1 1 10 HIS NE2 N 0.715 6.561 4.481 1.00 . A A . 10 HIS NE2 1 1 18 4946 1 1 10 HIS O O -4.888 7.453 0.417 1.00 . A A . 10 HIS O 1 1 18 4947 1 1 11 ARG C C -4.331 6.627 -2.364 1.00 . A A . 11 ARG C 1 1 18 4948 1 1 11 ARG CA C -3.407 7.752 -1.913 1.00 . A A . 11 ARG CA 1 1 18 4949 1 1 11 ARG CB C -2.270 7.941 -2.919 1.00 . A A . 11 ARG CB 1 1 18 4950 1 1 11 ARG CD C -0.297 9.318 -3.650 1.00 . A A . 11 ARG CD 1 1 18 4951 1 1 11 ARG CG C -1.360 9.111 -2.583 1.00 . A A . 11 ARG CG 1 1 18 4952 1 1 11 ARG CZ C 1.550 10.867 -4.136 1.00 . A A . 11 ARG CZ 1 1 18 4953 1 1 11 ARG H H -1.900 7.411 -0.469 1.00 . A A . 11 ARG H 1 1 18 4954 1 1 11 ARG HA H -3.979 8.666 -1.861 1.00 . A A . 11 ARG HA 1 1 18 4955 1 1 11 ARG HB2 H -1.672 7.042 -2.944 1.00 . A A . 11 ARG HB2 1 1 18 4956 1 1 11 ARG HB3 H -2.693 8.111 -3.897 1.00 . A A . 11 ARG HB3 1 1 18 4957 1 1 11 ARG HD2 H 0.314 8.430 -3.708 1.00 . A A . 11 ARG HD2 1 1 18 4958 1 1 11 ARG HD3 H -0.785 9.483 -4.598 1.00 . A A . 11 ARG HD3 1 1 18 4959 1 1 11 ARG HE H 0.382 10.957 -2.522 1.00 . A A . 11 ARG HE 1 1 18 4960 1 1 11 ARG HG2 H -1.955 10.007 -2.505 1.00 . A A . 11 ARG HG2 1 1 18 4961 1 1 11 ARG HG3 H -0.874 8.915 -1.638 1.00 . A A . 11 ARG HG3 1 1 18 4962 1 1 11 ARG HH11 H 1.264 9.428 -5.526 1.00 . A A . 11 ARG HH11 1 1 18 4963 1 1 11 ARG HH12 H 2.563 10.527 -5.852 1.00 . A A . 11 ARG HH12 1 1 18 4964 1 1 11 ARG HH21 H 2.084 12.410 -2.945 1.00 . A A . 11 ARG HH21 1 1 18 4965 1 1 11 ARG HH22 H 3.026 12.224 -4.386 1.00 . A A . 11 ARG HH22 1 1 18 4966 1 1 11 ARG N N -2.870 7.491 -0.583 1.00 . A A . 11 ARG N 1 1 18 4967 1 1 11 ARG NE N 0.557 10.463 -3.350 1.00 . A A . 11 ARG NE 1 1 18 4968 1 1 11 ARG NH1 N 1.813 10.222 -5.264 1.00 . A A . 11 ARG NH1 1 1 18 4969 1 1 11 ARG NH2 N 2.280 11.920 -3.795 1.00 . A A . 11 ARG NH2 1 1 18 4970 1 1 11 ARG O O -4.177 5.476 -1.953 1.00 . A A . 11 ARG O 1 1 18 4971 1 1 12 SER C C -5.566 4.880 -4.466 1.00 . A A . 12 SER C 1 1 18 4972 1 1 12 SER CA C -6.262 6.009 -3.718 1.00 . A A . 12 SER CA 1 1 18 4973 1 1 12 SER CB C -7.267 6.702 -4.640 1.00 . A A . 12 SER CB 1 1 18 4974 1 1 12 SER H H -5.365 7.907 -3.493 1.00 . A A . 12 SER H 1 1 18 4975 1 1 12 SER HA H -6.791 5.592 -2.875 1.00 . A A . 12 SER HA 1 1 18 4976 1 1 12 SER HB2 H -7.979 5.977 -5.003 1.00 . A A . 12 SER HB2 1 1 18 4977 1 1 12 SER HB3 H -7.786 7.472 -4.086 1.00 . A A . 12 SER HB3 1 1 18 4978 1 1 12 SER HG H -6.165 8.097 -5.465 1.00 . A A . 12 SER HG 1 1 18 4979 1 1 12 SER N N -5.298 6.974 -3.208 1.00 . A A . 12 SER N 1 1 18 4980 1 1 12 SER O O -6.054 3.751 -4.494 1.00 . A A . 12 SER O 1 1 18 4981 1 1 12 SER OG O -6.616 7.298 -5.748 1.00 . A A . 12 SER OG 1 1 18 4982 1 1 13 LYS C C -3.434 2.943 -5.018 1.00 . A A . 13 LYS C 1 1 18 4983 1 1 13 LYS CA C -3.668 4.209 -5.836 1.00 . A A . 13 LYS CA 1 1 18 4984 1 1 13 LYS CB C -2.327 4.794 -6.281 1.00 . A A . 13 LYS CB 1 1 18 4985 1 1 13 LYS CD C -1.099 6.455 -7.710 1.00 . A A . 13 LYS CD 1 1 18 4986 1 1 13 LYS CE C -1.231 7.548 -8.757 1.00 . A A . 13 LYS CE 1 1 18 4987 1 1 13 LYS CG C -2.460 5.943 -7.266 1.00 . A A . 13 LYS CG 1 1 18 4988 1 1 13 LYS H H -4.098 6.120 -5.020 1.00 . A A . 13 LYS H 1 1 18 4989 1 1 13 LYS HA H -4.244 3.953 -6.712 1.00 . A A . 13 LYS HA 1 1 18 4990 1 1 13 LYS HB2 H -1.797 5.153 -5.412 1.00 . A A . 13 LYS HB2 1 1 18 4991 1 1 13 LYS HB3 H -1.744 4.013 -6.748 1.00 . A A . 13 LYS HB3 1 1 18 4992 1 1 13 LYS HD2 H -0.578 6.853 -6.852 1.00 . A A . 13 LYS HD2 1 1 18 4993 1 1 13 LYS HD3 H -0.536 5.634 -8.127 1.00 . A A . 13 LYS HD3 1 1 18 4994 1 1 13 LYS HE2 H -1.773 8.377 -8.327 1.00 . A A . 13 LYS HE2 1 1 18 4995 1 1 13 LYS HE3 H -0.244 7.873 -9.046 1.00 . A A . 13 LYS HE3 1 1 18 4996 1 1 13 LYS HG2 H -3.004 5.600 -8.132 1.00 . A A . 13 LYS HG2 1 1 18 4997 1 1 13 LYS HG3 H -3.001 6.749 -6.793 1.00 . A A . 13 LYS HG3 1 1 18 4998 1 1 13 LYS HZ1 H -2.196 6.063 -9.866 1.00 . A A . 13 LYS HZ1 1 1 18 4999 1 1 13 LYS HZ2 H -1.364 7.192 -10.812 1.00 . A A . 13 LYS HZ2 1 1 18 5000 1 1 13 LYS HZ3 H -2.837 7.612 -10.093 1.00 . A A . 13 LYS HZ3 1 1 18 5001 1 1 13 LYS N N -4.429 5.198 -5.078 1.00 . A A . 13 LYS N 1 1 18 5002 1 1 13 LYS NZ N -1.958 7.071 -9.967 1.00 . A A . 13 LYS NZ 1 1 18 5003 1 1 13 LYS O O -2.878 2.991 -3.920 1.00 . A A . 13 LYS O 1 1 18 5004 1 1 14 CYS C C -2.320 -0.059 -5.156 1.00 . A A . 14 CYS C 1 1 18 5005 1 1 14 CYS CA C -3.707 0.524 -4.898 1.00 . A A . 14 CYS CA 1 1 18 5006 1 1 14 CYS CB C -4.793 -0.448 -5.370 1.00 . A A . 14 CYS CB 1 1 18 5007 1 1 14 CYS H H -4.298 1.842 -6.444 1.00 . A A . 14 CYS H 1 1 18 5008 1 1 14 CYS HA H -3.821 0.688 -3.838 1.00 . A A . 14 CYS HA 1 1 18 5009 1 1 14 CYS HB2 H -4.734 -0.552 -6.443 1.00 . A A . 14 CYS HB2 1 1 18 5010 1 1 14 CYS HB3 H -4.632 -1.410 -4.908 1.00 . A A . 14 CYS HB3 1 1 18 5011 1 1 14 CYS N N -3.864 1.811 -5.566 1.00 . A A . 14 CYS N 1 1 18 5012 1 1 14 CYS O O -1.841 -0.067 -6.291 1.00 . A A . 14 CYS O 1 1 18 5013 1 1 14 CYS SG S -6.488 0.090 -4.958 1.00 . A A . 14 CYS SG 1 1 18 5014 1 1 15 GLY C C 0.171 -1.705 -2.933 1.00 . A A . 15 GLY C 1 1 18 5015 1 1 15 GLY CA C -0.350 -1.121 -4.233 1.00 . A A . 15 GLY CA 1 1 18 5016 1 1 15 GLY H H -2.105 -0.513 -3.213 1.00 . A A . 15 GLY H 1 1 18 5017 1 1 15 GLY HA2 H -0.385 -1.903 -4.978 1.00 . A A . 15 GLY HA2 1 1 18 5018 1 1 15 GLY HA3 H 0.331 -0.352 -4.566 1.00 . A A . 15 GLY HA3 1 1 18 5019 1 1 15 GLY N N -1.676 -0.546 -4.096 1.00 . A A . 15 GLY N 1 1 18 5020 1 1 15 GLY O O 0.117 -1.057 -1.889 1.00 . A A . 15 GLY O 1 1 18 5021 1 1 16 MET C C 2.256 -2.782 -1.117 1.00 . A A . 16 MET C 1 1 18 5022 1 1 16 MET CA C 1.204 -3.627 -1.833 1.00 . A A . 16 MET CA 1 1 18 5023 1 1 16 MET CB C 1.807 -4.969 -2.249 1.00 . A A . 16 MET CB 1 1 18 5024 1 1 16 MET CE C 2.785 -6.909 -4.581 1.00 . A A . 16 MET CE 1 1 18 5025 1 1 16 MET CG C 0.809 -5.903 -2.915 1.00 . A A . 16 MET CG 1 1 18 5026 1 1 16 MET H H 0.682 -3.394 -3.869 1.00 . A A . 16 MET H 1 1 18 5027 1 1 16 MET HA H 0.386 -3.807 -1.153 1.00 . A A . 16 MET HA 1 1 18 5028 1 1 16 MET HB2 H 2.617 -4.788 -2.942 1.00 . A A . 16 MET HB2 1 1 18 5029 1 1 16 MET HB3 H 2.198 -5.461 -1.373 1.00 . A A . 16 MET HB3 1 1 18 5030 1 1 16 MET HE1 H 2.793 -5.830 -4.604 1.00 . A A . 16 MET HE1 1 1 18 5031 1 1 16 MET HE2 H 2.547 -7.288 -5.565 1.00 . A A . 16 MET HE2 1 1 18 5032 1 1 16 MET HE3 H 3.756 -7.271 -4.282 1.00 . A A . 16 MET HE3 1 1 18 5033 1 1 16 MET HG2 H 0.008 -6.105 -2.221 1.00 . A A . 16 MET HG2 1 1 18 5034 1 1 16 MET HG3 H 0.411 -5.415 -3.792 1.00 . A A . 16 MET HG3 1 1 18 5035 1 1 16 MET N N 0.672 -2.936 -3.004 1.00 . A A . 16 MET N 1 1 18 5036 1 1 16 MET O O 3.038 -2.075 -1.754 1.00 . A A . 16 MET O 1 1 18 5037 1 1 16 MET SD S 1.551 -7.470 -3.411 1.00 . A A . 16 MET SD 1 1 18 5038 1 1 17 CYS C C 3.962 -2.984 2.005 1.00 . A A . 17 CYS C 1 1 18 5039 1 1 17 CYS CA C 3.216 -2.090 1.016 1.00 . A A . 17 CYS CA 1 1 18 5040 1 1 17 CYS CB C 2.486 -0.988 1.787 1.00 . A A . 17 CYS CB 1 1 18 5041 1 1 17 CYS H H 1.612 -3.434 0.666 1.00 . A A . 17 CYS H 1 1 18 5042 1 1 17 CYS HA H 3.930 -1.637 0.346 1.00 . A A . 17 CYS HA 1 1 18 5043 1 1 17 CYS HB2 H 1.773 -1.442 2.457 1.00 . A A . 17 CYS HB2 1 1 18 5044 1 1 17 CYS HB3 H 3.207 -0.429 2.366 1.00 . A A . 17 CYS HB3 1 1 18 5045 1 1 17 CYS N N 2.264 -2.856 0.213 1.00 . A A . 17 CYS N 1 1 18 5046 1 1 17 CYS O O 3.348 -3.706 2.788 1.00 . A A . 17 CYS O 1 1 18 5047 1 1 17 CYS SG S 1.578 0.197 0.741 1.00 . A A . 17 CYS SG 1 1 18 5048 1 1 18 CYS C C 7.001 -2.827 3.747 1.00 . A A . 18 CYS C 1 1 18 5049 1 1 18 CYS CA C 6.116 -3.716 2.885 1.00 . A A . 18 CYS CA 1 1 18 5050 1 1 18 CYS CB C 6.973 -4.719 2.113 1.00 . A A . 18 CYS CB 1 1 18 5051 1 1 18 CYS H H 5.727 -2.320 1.338 1.00 . A A . 18 CYS H 1 1 18 5052 1 1 18 CYS HA H 5.448 -4.256 3.537 1.00 . A A . 18 CYS HA 1 1 18 5053 1 1 18 CYS HB2 H 7.175 -4.324 1.128 1.00 . A A . 18 CYS HB2 1 1 18 5054 1 1 18 CYS HB3 H 7.909 -4.857 2.636 1.00 . A A . 18 CYS HB3 1 1 18 5055 1 1 18 CYS N N 5.291 -2.921 1.977 1.00 . A A . 18 CYS N 1 1 18 5056 1 1 18 CYS O O 8.219 -3.006 3.802 1.00 . A A . 18 CYS O 1 1 18 5057 1 1 18 CYS SG S 6.202 -6.357 1.908 1.00 . A A . 18 CYS SG 1 1 18 5058 1 1 19 LYS C C 7.322 -1.567 6.670 1.00 . A A . 19 LYS C 1 1 18 5059 1 1 19 LYS CA C 7.106 -0.954 5.289 1.00 . A A . 19 LYS CA 1 1 18 5060 1 1 19 LYS CB C 6.353 0.370 5.408 1.00 . A A . 19 LYS CB 1 1 18 5061 1 1 19 LYS CD C 7.295 1.426 3.303 1.00 . A A . 19 LYS CD 1 1 18 5062 1 1 19 LYS CE C 7.850 0.272 2.479 1.00 . A A . 19 LYS CE 1 1 18 5063 1 1 19 LYS CG C 6.037 1.034 4.070 1.00 . A A . 19 LYS CG 1 1 18 5064 1 1 19 LYS H H 5.408 -1.788 4.337 1.00 . A A . 19 LYS H 1 1 18 5065 1 1 19 LYS HA H 8.071 -0.770 4.838 1.00 . A A . 19 LYS HA 1 1 18 5066 1 1 19 LYS HB2 H 5.420 0.192 5.924 1.00 . A A . 19 LYS HB2 1 1 18 5067 1 1 19 LYS HB3 H 6.948 1.057 5.992 1.00 . A A . 19 LYS HB3 1 1 18 5068 1 1 19 LYS HD2 H 7.057 2.244 2.639 1.00 . A A . 19 LYS HD2 1 1 18 5069 1 1 19 LYS HD3 H 8.048 1.745 4.010 1.00 . A A . 19 LYS HD3 1 1 18 5070 1 1 19 LYS HE2 H 8.079 -0.551 3.140 1.00 . A A . 19 LYS HE2 1 1 18 5071 1 1 19 LYS HE3 H 7.100 -0.040 1.766 1.00 . A A . 19 LYS HE3 1 1 18 5072 1 1 19 LYS HG2 H 5.465 0.345 3.467 1.00 . A A . 19 LYS HG2 1 1 18 5073 1 1 19 LYS HG3 H 5.448 1.922 4.254 1.00 . A A . 19 LYS HG3 1 1 18 5074 1 1 19 LYS HZ1 H 9.926 0.424 2.309 1.00 . A A . 19 LYS HZ1 1 1 18 5075 1 1 19 LYS HZ2 H 9.083 1.680 1.552 1.00 . A A . 19 LYS HZ2 1 1 18 5076 1 1 19 LYS HZ3 H 9.137 0.148 0.837 1.00 . A A . 19 LYS HZ3 1 1 18 5077 1 1 19 LYS N N 6.380 -1.873 4.421 1.00 . A A . 19 LYS N 1 1 18 5078 1 1 19 LYS NZ N 9.086 0.658 1.742 1.00 . A A . 19 LYS NZ 1 1 18 5079 1 1 19 LYS O O 6.402 -2.134 7.257 1.00 . A A . 19 LYS O 1 1 18 5080 1 1 20 THR C C 8.058 -1.323 9.591 1.00 . A A . 20 THR C 1 1 18 5081 1 1 20 THR CA C 8.879 -1.991 8.494 1.00 . A A . 20 THR CA 1 1 18 5082 1 1 20 THR CB C 10.376 -1.818 8.811 1.00 . A A . 20 THR CB 1 1 18 5083 1 1 20 THR CG2 C 11.233 -2.559 7.797 1.00 . A A . 20 THR CG2 1 1 18 5084 1 1 20 THR H H 9.236 -0.985 6.666 1.00 . A A . 20 THR H 1 1 18 5085 1 1 20 THR HA H 8.655 -3.048 8.484 1.00 . A A . 20 THR HA 1 1 18 5086 1 1 20 THR HB H 10.572 -2.229 9.791 1.00 . A A . 20 THR HB 1 1 18 5087 1 1 20 THR HG1 H 11.345 -0.254 9.520 1.00 . A A . 20 THR HG1 1 1 18 5088 1 1 20 THR HG21 H 11.924 -3.208 8.314 1.00 . A A . 20 THR HG21 1 1 18 5089 1 1 20 THR HG22 H 11.785 -1.846 7.201 1.00 . A A . 20 THR HG22 1 1 18 5090 1 1 20 THR HG23 H 10.599 -3.150 7.153 1.00 . A A . 20 THR HG23 1 1 18 5091 1 1 20 THR N N 8.544 -1.448 7.182 1.00 . A A . 20 THR N 1 1 18 5092 1 1 20 THR O O 7.849 -1.962 10.644 1.00 . A A . 20 THR O 1 1 18 5093 1 1 20 THR OXT O 7.630 -0.167 9.390 1.00 . A A . 20 THR OXT 1 1 18 5094 1 1 20 THR OG1 O 10.723 -0.428 8.811 1.00 . A A . 20 THR OG1 1 1 19 5095 1 1 1 ILE C C 3.030 -8.736 2.148 1.00 . A A . 1 ILE C 1 1 19 5096 1 1 1 ILE CA C 3.272 -10.183 1.733 1.00 . A A . 1 ILE CA 1 1 19 5097 1 1 1 ILE CB C 1.949 -10.788 1.228 1.00 . A A . 1 ILE CB 1 1 19 5098 1 1 1 ILE CD1 C -0.414 -11.421 1.949 1.00 . A A . 1 ILE CD1 1 1 19 5099 1 1 1 ILE CG1 C 0.941 -10.901 2.377 1.00 . A A . 1 ILE CG1 1 1 19 5100 1 1 1 ILE CG2 C 2.201 -12.149 0.594 1.00 . A A . 1 ILE CG2 1 1 19 5101 1 1 1 ILE H1 H 4.875 -10.949 2.824 1.00 . A A . 1 ILE H1 1 1 19 5102 1 1 1 ILE H2 H 3.525 -11.967 2.781 1.00 . A A . 1 ILE H2 1 1 19 5103 1 1 1 ILE H3 H 3.514 -10.590 3.763 1.00 . A A . 1 ILE H3 1 1 19 5104 1 1 1 ILE HA H 3.983 -10.194 0.918 1.00 . A A . 1 ILE HA 1 1 19 5105 1 1 1 ILE HB H 1.546 -10.134 0.468 1.00 . A A . 1 ILE HB 1 1 19 5106 1 1 1 ILE HD11 H -1.184 -10.745 2.293 1.00 . A A . 1 ILE HD11 1 1 19 5107 1 1 1 ILE HD12 H -0.575 -12.399 2.378 1.00 . A A . 1 ILE HD12 1 1 19 5108 1 1 1 ILE HD13 H -0.450 -11.489 0.873 1.00 . A A . 1 ILE HD13 1 1 19 5109 1 1 1 ILE HG12 H 1.334 -11.575 3.124 1.00 . A A . 1 ILE HG12 1 1 19 5110 1 1 1 ILE HG13 H 0.799 -9.925 2.818 1.00 . A A . 1 ILE HG13 1 1 19 5111 1 1 1 ILE HG21 H 2.965 -12.057 -0.164 1.00 . A A . 1 ILE HG21 1 1 19 5112 1 1 1 ILE HG22 H 1.289 -12.511 0.144 1.00 . A A . 1 ILE HG22 1 1 19 5113 1 1 1 ILE HG23 H 2.528 -12.845 1.352 1.00 . A A . 1 ILE HG23 1 1 19 5114 1 1 1 ILE N N 3.835 -10.977 2.852 1.00 . A A . 1 ILE N 1 1 19 5115 1 1 1 ILE O O 2.525 -8.469 3.240 1.00 . A A . 1 ILE O 1 1 19 5116 1 1 2 CYS C C 1.749 -6.035 1.727 1.00 . A A . 2 CYS C 1 1 19 5117 1 1 2 CYS CA C 3.225 -6.384 1.544 1.00 . A A . 2 CYS CA 1 1 19 5118 1 1 2 CYS CB C 3.809 -5.554 0.400 1.00 . A A . 2 CYS CB 1 1 19 5119 1 1 2 CYS H H 3.795 -8.085 0.422 1.00 . A A . 2 CYS H 1 1 19 5120 1 1 2 CYS HA H 3.755 -6.151 2.453 1.00 . A A . 2 CYS HA 1 1 19 5121 1 1 2 CYS HB2 H 3.245 -5.750 -0.498 1.00 . A A . 2 CYS HB2 1 1 19 5122 1 1 2 CYS HB3 H 3.725 -4.508 0.650 1.00 . A A . 2 CYS HB3 1 1 19 5123 1 1 2 CYS N N 3.397 -7.806 1.273 1.00 . A A . 2 CYS N 1 1 19 5124 1 1 2 CYS O O 0.899 -6.441 0.931 1.00 . A A . 2 CYS O 1 1 19 5125 1 1 2 CYS SG S 5.561 -5.897 0.034 1.00 . A A . 2 CYS SG 1 1 19 5126 1 1 3 ILE C C -0.443 -4.007 1.881 1.00 . A A . 3 ILE C 1 1 19 5127 1 1 3 ILE CA C 0.075 -4.864 3.030 1.00 . A A . 3 ILE CA 1 1 19 5128 1 1 3 ILE CB C -0.065 -4.099 4.364 1.00 . A A . 3 ILE CB 1 1 19 5129 1 1 3 ILE CD1 C 0.765 -2.068 5.675 1.00 . A A . 3 ILE CD1 1 1 19 5130 1 1 3 ILE CG1 C 0.843 -2.862 4.387 1.00 . A A . 3 ILE CG1 1 1 19 5131 1 1 3 ILE CG2 C 0.253 -5.021 5.534 1.00 . A A . 3 ILE CG2 1 1 19 5132 1 1 3 ILE H H 2.160 -4.962 3.365 1.00 . A A . 3 ILE H 1 1 19 5133 1 1 3 ILE HA H -0.526 -5.761 3.089 1.00 . A A . 3 ILE HA 1 1 19 5134 1 1 3 ILE HB H -1.092 -3.783 4.459 1.00 . A A . 3 ILE HB 1 1 19 5135 1 1 3 ILE HD11 H 1.577 -1.356 5.710 1.00 . A A . 3 ILE HD11 1 1 19 5136 1 1 3 ILE HD12 H 0.840 -2.740 6.517 1.00 . A A . 3 ILE HD12 1 1 19 5137 1 1 3 ILE HD13 H -0.177 -1.542 5.718 1.00 . A A . 3 ILE HD13 1 1 19 5138 1 1 3 ILE HG12 H 1.867 -3.171 4.251 1.00 . A A . 3 ILE HG12 1 1 19 5139 1 1 3 ILE HG13 H 0.563 -2.205 3.577 1.00 . A A . 3 ILE HG13 1 1 19 5140 1 1 3 ILE HG21 H -0.541 -5.742 5.650 1.00 . A A . 3 ILE HG21 1 1 19 5141 1 1 3 ILE HG22 H 0.344 -4.437 6.438 1.00 . A A . 3 ILE HG22 1 1 19 5142 1 1 3 ILE HG23 H 1.184 -5.536 5.344 1.00 . A A . 3 ILE HG23 1 1 19 5143 1 1 3 ILE N N 1.447 -5.268 2.770 1.00 . A A . 3 ILE N 1 1 19 5144 1 1 3 ILE O O -0.174 -2.808 1.807 1.00 . A A . 3 ILE O 1 1 19 5145 1 1 4 PHE C C -2.427 -2.668 0.231 1.00 . A A . 4 PHE C 1 1 19 5146 1 1 4 PHE CA C -1.712 -3.949 -0.189 1.00 . A A . 4 PHE CA 1 1 19 5147 1 1 4 PHE CB C -2.672 -4.868 -0.951 1.00 . A A . 4 PHE CB 1 1 19 5148 1 1 4 PHE CD1 C -2.248 -3.690 -3.129 1.00 . A A . 4 PHE CD1 1 1 19 5149 1 1 4 PHE CD2 C -4.468 -4.410 -2.643 1.00 . A A . 4 PHE CD2 1 1 19 5150 1 1 4 PHE CE1 C -2.674 -3.184 -4.343 1.00 . A A . 4 PHE CE1 1 1 19 5151 1 1 4 PHE CE2 C -4.902 -3.905 -3.854 1.00 . A A . 4 PHE CE2 1 1 19 5152 1 1 4 PHE CG C -3.139 -4.309 -2.267 1.00 . A A . 4 PHE CG 1 1 19 5153 1 1 4 PHE CZ C -4.003 -3.290 -4.704 1.00 . A A . 4 PHE CZ 1 1 19 5154 1 1 4 PHE H H -1.330 -5.603 1.078 1.00 . A A . 4 PHE H 1 1 19 5155 1 1 4 PHE HA H -0.885 -3.690 -0.834 1.00 . A A . 4 PHE HA 1 1 19 5156 1 1 4 PHE HB2 H -2.178 -5.806 -1.148 1.00 . A A . 4 PHE HB2 1 1 19 5157 1 1 4 PHE HB3 H -3.543 -5.049 -0.340 1.00 . A A . 4 PHE HB3 1 1 19 5158 1 1 4 PHE HD1 H -1.208 -3.605 -2.847 1.00 . A A . 4 PHE HD1 1 1 19 5159 1 1 4 PHE HD2 H -5.172 -4.891 -1.979 1.00 . A A . 4 PHE HD2 1 1 19 5160 1 1 4 PHE HE1 H -1.971 -2.703 -5.006 1.00 . A A . 4 PHE HE1 1 1 19 5161 1 1 4 PHE HE2 H -5.941 -3.990 -4.135 1.00 . A A . 4 PHE HE2 1 1 19 5162 1 1 4 PHE HZ H -4.340 -2.895 -5.653 1.00 . A A . 4 PHE HZ 1 1 19 5163 1 1 4 PHE N N -1.171 -4.642 0.972 1.00 . A A . 4 PHE N 1 1 19 5164 1 1 4 PHE O O -3.514 -2.708 0.808 1.00 . A A . 4 PHE O 1 1 19 5165 1 1 5 CYS C C -3.275 0.282 -0.811 1.00 . A A . 5 CYS C 1 1 19 5166 1 1 5 CYS CA C -2.354 -0.230 0.284 1.00 . A A . 5 CYS CA 1 1 19 5167 1 1 5 CYS CB C -1.233 0.783 0.529 1.00 . A A . 5 CYS CB 1 1 19 5168 1 1 5 CYS H H -0.935 -1.574 -0.519 1.00 . A A . 5 CYS H 1 1 19 5169 1 1 5 CYS HA H -2.931 -0.345 1.188 1.00 . A A . 5 CYS HA 1 1 19 5170 1 1 5 CYS HB2 H -0.622 0.849 -0.357 1.00 . A A . 5 CYS HB2 1 1 19 5171 1 1 5 CYS HB3 H -1.672 1.749 0.729 1.00 . A A . 5 CYS HB3 1 1 19 5172 1 1 5 CYS N N -1.799 -1.533 -0.060 1.00 . A A . 5 CYS N 1 1 19 5173 1 1 5 CYS O O -2.944 1.229 -1.524 1.00 . A A . 5 CYS O 1 1 19 5174 1 1 5 CYS SG S -0.133 0.377 1.922 1.00 . A A . 5 CYS SG 1 1 19 5175 1 1 6 CYS C C -6.203 1.245 -1.483 1.00 . A A . 6 CYS C 1 1 19 5176 1 1 6 CYS CA C -5.397 0.041 -1.954 1.00 . A A . 6 CYS CA 1 1 19 5177 1 1 6 CYS CB C -6.321 -1.127 -2.298 1.00 . A A . 6 CYS CB 1 1 19 5178 1 1 6 CYS H H -4.630 -1.100 -0.341 1.00 . A A . 6 CYS H 1 1 19 5179 1 1 6 CYS HA H -4.846 0.327 -2.836 1.00 . A A . 6 CYS HA 1 1 19 5180 1 1 6 CYS HB2 H -5.757 -2.047 -2.256 1.00 . A A . 6 CYS HB2 1 1 19 5181 1 1 6 CYS HB3 H -7.121 -1.169 -1.573 1.00 . A A . 6 CYS HB3 1 1 19 5182 1 1 6 CYS N N -4.428 -0.352 -0.940 1.00 . A A . 6 CYS N 1 1 19 5183 1 1 6 CYS O O -7.418 1.166 -1.301 1.00 . A A . 6 CYS O 1 1 19 5184 1 1 6 CYS SG S -7.077 -1.020 -3.955 1.00 . A A . 6 CYS SG 1 1 19 5185 1 1 7 GLY C C -6.786 3.398 0.547 1.00 . A A . 7 GLY C 1 1 19 5186 1 1 7 GLY CA C -6.156 3.573 -0.819 1.00 . A A . 7 GLY CA 1 1 19 5187 1 1 7 GLY H H -4.542 2.352 -1.438 1.00 . A A . 7 GLY H 1 1 19 5188 1 1 7 GLY HA2 H -5.424 4.365 -0.770 1.00 . A A . 7 GLY HA2 1 1 19 5189 1 1 7 GLY HA3 H -6.924 3.849 -1.526 1.00 . A A . 7 GLY HA3 1 1 19 5190 1 1 7 GLY N N -5.507 2.358 -1.279 1.00 . A A . 7 GLY N 1 1 19 5191 1 1 7 GLY O O -7.889 3.882 0.798 1.00 . A A . 7 GLY O 1 1 19 5192 1 1 8 CYS C C -6.433 3.644 3.661 1.00 . A A . 8 CYS C 1 1 19 5193 1 1 8 CYS CA C -6.580 2.438 2.775 1.00 . A A . 8 CYS CA 1 1 19 5194 1 1 8 CYS CB C -5.789 1.305 3.456 1.00 . A A . 8 CYS CB 1 1 19 5195 1 1 8 CYS H H -5.214 2.326 1.163 1.00 . A A . 8 CYS H 1 1 19 5196 1 1 8 CYS HA H -7.619 2.157 2.713 1.00 . A A . 8 CYS HA 1 1 19 5197 1 1 8 CYS HB2 H -6.353 0.944 4.302 1.00 . A A . 8 CYS HB2 1 1 19 5198 1 1 8 CYS HB3 H -5.659 0.498 2.750 1.00 . A A . 8 CYS HB3 1 1 19 5199 1 1 8 CYS N N -6.083 2.692 1.428 1.00 . A A . 8 CYS N 1 1 19 5200 1 1 8 CYS O O -7.350 4.030 4.387 1.00 . A A . 8 CYS O 1 1 19 5201 1 1 8 CYS SG S -4.113 1.785 4.070 1.00 . A A . 8 CYS SG 1 1 19 5202 1 1 9 CYS C C -4.176 6.377 3.878 1.00 . A A . 9 CYS C 1 1 19 5203 1 1 9 CYS CA C -4.862 5.200 4.575 1.00 . A A . 9 CYS CA 1 1 19 5204 1 1 9 CYS CB C -3.954 4.536 5.599 1.00 . A A . 9 CYS CB 1 1 19 5205 1 1 9 CYS H H -4.521 3.720 3.144 1.00 . A A . 9 CYS H 1 1 19 5206 1 1 9 CYS HA H -5.752 5.546 5.072 1.00 . A A . 9 CYS HA 1 1 19 5207 1 1 9 CYS HB2 H -2.932 4.575 5.249 1.00 . A A . 9 CYS HB2 1 1 19 5208 1 1 9 CYS HB3 H -4.034 5.056 6.540 1.00 . A A . 9 CYS HB3 1 1 19 5209 1 1 9 CYS N N -5.220 4.142 3.683 1.00 . A A . 9 CYS N 1 1 19 5210 1 1 9 CYS O O -4.706 7.487 3.859 1.00 . A A . 9 CYS O 1 1 19 5211 1 1 9 CYS SG S -4.396 2.769 5.886 1.00 . A A . 9 CYS SG 1 1 19 5212 1 1 10 HIS C C -2.740 7.429 1.225 1.00 . A A . 10 HIS C 1 1 19 5213 1 1 10 HIS CA C -2.233 7.187 2.652 1.00 . A A . 10 HIS CA 1 1 19 5214 1 1 10 HIS CB C -0.734 6.853 2.656 1.00 . A A . 10 HIS CB 1 1 19 5215 1 1 10 HIS CD2 C -1.136 4.666 1.302 1.00 . A A . 10 HIS CD2 1 1 19 5216 1 1 10 HIS CE1 C 0.946 3.994 1.166 1.00 . A A . 10 HIS CE1 1 1 19 5217 1 1 10 HIS CG C -0.371 5.577 1.951 1.00 . A A . 10 HIS CG 1 1 19 5218 1 1 10 HIS H H -2.610 5.233 3.383 1.00 . A A . 10 HIS H 1 1 19 5219 1 1 10 HIS HA H -2.381 8.095 3.217 1.00 . A A . 10 HIS HA 1 1 19 5220 1 1 10 HIS HB2 H -0.196 7.656 2.175 1.00 . A A . 10 HIS HB2 1 1 19 5221 1 1 10 HIS HB3 H -0.399 6.772 3.681 1.00 . A A . 10 HIS HB3 1 1 19 5222 1 1 10 HIS HD1 H 1.718 5.568 2.219 1.00 . A A . 10 HIS HD1 1 1 19 5223 1 1 10 HIS HD2 H -2.210 4.697 1.185 1.00 . A A . 10 HIS HD2 1 1 19 5224 1 1 10 HIS HE1 H 1.825 3.414 0.929 1.00 . A A . 10 HIS HE1 1 1 19 5225 1 1 10 HIS HE2 H -0.541 3.001 0.177 1.00 . A A . 10 HIS HE2 1 1 19 5226 1 1 10 HIS N N -2.990 6.134 3.324 1.00 . A A . 10 HIS N 1 1 19 5227 1 1 10 HIS ND1 N 0.928 5.125 1.847 1.00 . A A . 10 HIS ND1 1 1 19 5228 1 1 10 HIS NE2 N -0.292 3.693 0.823 1.00 . A A . 10 HIS NE2 1 1 19 5229 1 1 10 HIS O O -3.947 7.513 0.997 1.00 . A A . 10 HIS O 1 1 19 5230 1 1 11 ARG C C -3.279 6.874 -1.583 1.00 . A A . 11 ARG C 1 1 19 5231 1 1 11 ARG CA C -2.150 7.795 -1.124 1.00 . A A . 11 ARG CA 1 1 19 5232 1 1 11 ARG CB C -0.910 7.594 -2.000 1.00 . A A . 11 ARG CB 1 1 19 5233 1 1 11 ARG CD C 0.168 7.820 -4.258 1.00 . A A . 11 ARG CD 1 1 19 5234 1 1 11 ARG CG C -1.088 8.064 -3.434 1.00 . A A . 11 ARG CG 1 1 19 5235 1 1 11 ARG CZ C -0.125 9.589 -5.947 1.00 . A A . 11 ARG CZ 1 1 19 5236 1 1 11 ARG H H -0.866 7.484 0.525 1.00 . A A . 11 ARG H 1 1 19 5237 1 1 11 ARG HA H -2.479 8.819 -1.211 1.00 . A A . 11 ARG HA 1 1 19 5238 1 1 11 ARG HB2 H -0.086 8.140 -1.568 1.00 . A A . 11 ARG HB2 1 1 19 5239 1 1 11 ARG HB3 H -0.664 6.542 -2.017 1.00 . A A . 11 ARG HB3 1 1 19 5240 1 1 11 ARG HD2 H 0.995 8.329 -3.786 1.00 . A A . 11 ARG HD2 1 1 19 5241 1 1 11 ARG HD3 H 0.367 6.759 -4.281 1.00 . A A . 11 ARG HD3 1 1 19 5242 1 1 11 ARG HE H 0.053 7.643 -6.349 1.00 . A A . 11 ARG HE 1 1 19 5243 1 1 11 ARG HG2 H -1.908 7.524 -3.880 1.00 . A A . 11 ARG HG2 1 1 19 5244 1 1 11 ARG HG3 H -1.308 9.121 -3.432 1.00 . A A . 11 ARG HG3 1 1 19 5245 1 1 11 ARG HH11 H -0.049 10.254 -4.039 1.00 . A A . 11 ARG HH11 1 1 19 5246 1 1 11 ARG HH12 H -0.266 11.479 -5.244 1.00 . A A . 11 ARG HH12 1 1 19 5247 1 1 11 ARG HH21 H -0.230 9.252 -7.938 1.00 . A A . 11 ARG HH21 1 1 19 5248 1 1 11 ARG HH22 H -0.367 10.911 -7.457 1.00 . A A . 11 ARG HH22 1 1 19 5249 1 1 11 ARG N N -1.809 7.551 0.277 1.00 . A A . 11 ARG N 1 1 19 5250 1 1 11 ARG NE N 0.031 8.307 -5.628 1.00 . A A . 11 ARG NE 1 1 19 5251 1 1 11 ARG NH1 N -0.148 10.517 -4.998 1.00 . A A . 11 ARG NH1 1 1 19 5252 1 1 11 ARG NH2 N -0.251 9.946 -7.218 1.00 . A A . 11 ARG NH2 1 1 19 5253 1 1 11 ARG O O -3.314 5.694 -1.233 1.00 . A A . 11 ARG O 1 1 19 5254 1 1 12 SER C C -4.893 5.527 -3.761 1.00 . A A . 12 SER C 1 1 19 5255 1 1 12 SER CA C -5.345 6.672 -2.868 1.00 . A A . 12 SER CA 1 1 19 5256 1 1 12 SER CB C -6.289 7.594 -3.642 1.00 . A A . 12 SER CB 1 1 19 5257 1 1 12 SER H H -4.120 8.374 -2.601 1.00 . A A . 12 SER H 1 1 19 5258 1 1 12 SER HA H -5.874 6.264 -2.020 1.00 . A A . 12 SER HA 1 1 19 5259 1 1 12 SER HB2 H -5.761 8.023 -4.481 1.00 . A A . 12 SER HB2 1 1 19 5260 1 1 12 SER HB3 H -7.131 7.022 -4.003 1.00 . A A . 12 SER HB3 1 1 19 5261 1 1 12 SER HG H -7.674 8.849 -3.058 1.00 . A A . 12 SER HG 1 1 19 5262 1 1 12 SER N N -4.205 7.429 -2.362 1.00 . A A . 12 SER N 1 1 19 5263 1 1 12 SER O O -5.476 4.442 -3.740 1.00 . A A . 12 SER O 1 1 19 5264 1 1 12 SER OG O -6.767 8.644 -2.820 1.00 . A A . 12 SER OG 1 1 19 5265 1 1 13 LYS C C -3.049 3.465 -4.724 1.00 . A A . 13 LYS C 1 1 19 5266 1 1 13 LYS CA C -3.322 4.772 -5.458 1.00 . A A . 13 LYS CA 1 1 19 5267 1 1 13 LYS CB C -2.037 5.277 -6.119 1.00 . A A . 13 LYS CB 1 1 19 5268 1 1 13 LYS CD C -3.212 6.305 -8.096 1.00 . A A . 13 LYS CD 1 1 19 5269 1 1 13 LYS CE C -2.717 5.231 -9.054 1.00 . A A . 13 LYS CE 1 1 19 5270 1 1 13 LYS CG C -2.233 6.534 -6.954 1.00 . A A . 13 LYS CG 1 1 19 5271 1 1 13 LYS H H -3.441 6.666 -4.519 1.00 . A A . 13 LYS H 1 1 19 5272 1 1 13 LYS HA H -4.062 4.592 -6.224 1.00 . A A . 13 LYS HA 1 1 19 5273 1 1 13 LYS HB2 H -1.312 5.493 -5.348 1.00 . A A . 13 LYS HB2 1 1 19 5274 1 1 13 LYS HB3 H -1.647 4.501 -6.760 1.00 . A A . 13 LYS HB3 1 1 19 5275 1 1 13 LYS HD2 H -4.162 5.995 -7.686 1.00 . A A . 13 LYS HD2 1 1 19 5276 1 1 13 LYS HD3 H -3.339 7.229 -8.640 1.00 . A A . 13 LYS HD3 1 1 19 5277 1 1 13 LYS HE2 H -1.773 5.547 -9.472 1.00 . A A . 13 LYS HE2 1 1 19 5278 1 1 13 LYS HE3 H -2.576 4.313 -8.503 1.00 . A A . 13 LYS HE3 1 1 19 5279 1 1 13 LYS HG2 H -2.615 7.320 -6.320 1.00 . A A . 13 LYS HG2 1 1 19 5280 1 1 13 LYS HG3 H -1.280 6.833 -7.364 1.00 . A A . 13 LYS HG3 1 1 19 5281 1 1 13 LYS HZ1 H -4.585 4.645 -9.782 1.00 . A A . 13 LYS HZ1 1 1 19 5282 1 1 13 LYS HZ2 H -3.300 4.275 -10.818 1.00 . A A . 13 LYS HZ2 1 1 19 5283 1 1 13 LYS HZ3 H -3.849 5.870 -10.690 1.00 . A A . 13 LYS HZ3 1 1 19 5284 1 1 13 LYS N N -3.854 5.779 -4.548 1.00 . A A . 13 LYS N 1 1 19 5285 1 1 13 LYS NZ N -3.680 4.988 -10.163 1.00 . A A . 13 LYS NZ 1 1 19 5286 1 1 13 LYS O O -2.345 3.440 -3.713 1.00 . A A . 13 LYS O 1 1 19 5287 1 1 14 CYS C C -2.048 0.512 -4.912 1.00 . A A . 14 CYS C 1 1 19 5288 1 1 14 CYS CA C -3.447 1.062 -4.639 1.00 . A A . 14 CYS CA 1 1 19 5289 1 1 14 CYS CB C -4.515 0.105 -5.173 1.00 . A A . 14 CYS CB 1 1 19 5290 1 1 14 CYS H H -4.169 2.469 -6.044 1.00 . A A . 14 CYS H 1 1 19 5291 1 1 14 CYS HA H -3.574 1.169 -3.572 1.00 . A A . 14 CYS HA 1 1 19 5292 1 1 14 CYS HB2 H -4.425 0.036 -6.246 1.00 . A A . 14 CYS HB2 1 1 19 5293 1 1 14 CYS HB3 H -4.364 -0.872 -4.738 1.00 . A A . 14 CYS HB3 1 1 19 5294 1 1 14 CYS N N -3.617 2.380 -5.239 1.00 . A A . 14 CYS N 1 1 19 5295 1 1 14 CYS O O -1.546 0.599 -6.032 1.00 . A A . 14 CYS O 1 1 19 5296 1 1 14 CYS SG S -6.222 0.626 -4.790 1.00 . A A . 14 CYS SG 1 1 19 5297 1 1 15 GLY C C 0.406 -1.277 -2.764 1.00 . A A . 15 GLY C 1 1 19 5298 1 1 15 GLY CA C -0.090 -0.603 -4.028 1.00 . A A . 15 GLY CA 1 1 19 5299 1 1 15 GLY H H -1.873 -0.090 -3.006 1.00 . A A . 15 GLY H 1 1 19 5300 1 1 15 GLY HA2 H -0.100 -1.328 -4.829 1.00 . A A . 15 GLY HA2 1 1 19 5301 1 1 15 GLY HA3 H 0.591 0.194 -4.288 1.00 . A A . 15 GLY HA3 1 1 19 5302 1 1 15 GLY N N -1.424 -0.051 -3.878 1.00 . A A . 15 GLY N 1 1 19 5303 1 1 15 GLY O O 0.314 -0.713 -1.674 1.00 . A A . 15 GLY O 1 1 19 5304 1 1 16 MET C C 2.466 -2.455 -0.978 1.00 . A A . 16 MET C 1 1 19 5305 1 1 16 MET CA C 1.449 -3.261 -1.786 1.00 . A A . 16 MET CA 1 1 19 5306 1 1 16 MET CB C 2.090 -4.554 -2.292 1.00 . A A . 16 MET CB 1 1 19 5307 1 1 16 MET CE C 3.249 -6.243 -4.706 1.00 . A A . 16 MET CE 1 1 19 5308 1 1 16 MET CG C 1.144 -5.432 -3.094 1.00 . A A . 16 MET CG 1 1 19 5309 1 1 16 MET H H 0.975 -2.878 -3.812 1.00 . A A . 16 MET H 1 1 19 5310 1 1 16 MET HA H 0.616 -3.509 -1.146 1.00 . A A . 16 MET HA 1 1 19 5311 1 1 16 MET HB2 H 2.931 -4.303 -2.920 1.00 . A A . 16 MET HB2 1 1 19 5312 1 1 16 MET HB3 H 2.441 -5.122 -1.445 1.00 . A A . 16 MET HB3 1 1 19 5313 1 1 16 MET HE1 H 3.817 -5.537 -4.120 1.00 . A A . 16 MET HE1 1 1 19 5314 1 1 16 MET HE2 H 2.821 -5.740 -5.560 1.00 . A A . 16 MET HE2 1 1 19 5315 1 1 16 MET HE3 H 3.900 -7.036 -5.043 1.00 . A A . 16 MET HE3 1 1 19 5316 1 1 16 MET HG2 H 0.312 -5.712 -2.463 1.00 . A A . 16 MET HG2 1 1 19 5317 1 1 16 MET HG3 H 0.779 -4.869 -3.940 1.00 . A A . 16 MET HG3 1 1 19 5318 1 1 16 MET N N 0.933 -2.489 -2.914 1.00 . A A . 16 MET N 1 1 19 5319 1 1 16 MET O O 3.244 -1.682 -1.538 1.00 . A A . 16 MET O 1 1 19 5320 1 1 16 MET SD S 1.937 -6.934 -3.700 1.00 . A A . 16 MET SD 1 1 19 5321 1 1 17 CYS C C 4.103 -2.872 2.174 1.00 . A A . 17 CYS C 1 1 19 5322 1 1 17 CYS CA C 3.375 -1.920 1.226 1.00 . A A . 17 CYS CA 1 1 19 5323 1 1 17 CYS CB C 2.617 -0.883 2.057 1.00 . A A . 17 CYS CB 1 1 19 5324 1 1 17 CYS H H 1.805 -3.267 0.733 1.00 . A A . 17 CYS H 1 1 19 5325 1 1 17 CYS HA H 4.102 -1.413 0.610 1.00 . A A . 17 CYS HA 1 1 19 5326 1 1 17 CYS HB2 H 1.894 -1.391 2.677 1.00 . A A . 17 CYS HB2 1 1 19 5327 1 1 17 CYS HB3 H 3.318 -0.361 2.691 1.00 . A A . 17 CYS HB3 1 1 19 5328 1 1 17 CYS N N 2.452 -2.638 0.343 1.00 . A A . 17 CYS N 1 1 19 5329 1 1 17 CYS O O 3.474 -3.643 2.894 1.00 . A A . 17 CYS O 1 1 19 5330 1 1 17 CYS SG S 1.718 0.365 1.082 1.00 . A A . 17 CYS SG 1 1 19 5331 1 1 18 CYS C C 7.069 -2.794 4.019 1.00 . A A . 18 CYS C 1 1 19 5332 1 1 18 CYS CA C 6.236 -3.639 3.072 1.00 . A A . 18 CYS CA 1 1 19 5333 1 1 18 CYS CB C 7.142 -4.571 2.265 1.00 . A A . 18 CYS CB 1 1 19 5334 1 1 18 CYS H H 5.880 -2.149 1.607 1.00 . A A . 18 CYS H 1 1 19 5335 1 1 18 CYS HA H 5.555 -4.230 3.661 1.00 . A A . 18 CYS HA 1 1 19 5336 1 1 18 CYS HB2 H 7.404 -4.086 1.336 1.00 . A A . 18 CYS HB2 1 1 19 5337 1 1 18 CYS HB3 H 8.043 -4.761 2.830 1.00 . A A . 18 CYS HB3 1 1 19 5338 1 1 18 CYS N N 5.432 -2.796 2.189 1.00 . A A . 18 CYS N 1 1 19 5339 1 1 18 CYS O O 8.262 -3.033 4.207 1.00 . A A . 18 CYS O 1 1 19 5340 1 1 18 CYS SG S 6.391 -6.181 1.859 1.00 . A A . 18 CYS SG 1 1 19 5341 1 1 19 LYS C C 6.571 -1.124 6.970 1.00 . A A . 19 LYS C 1 1 19 5342 1 1 19 LYS CA C 7.088 -0.910 5.550 1.00 . A A . 19 LYS CA 1 1 19 5343 1 1 19 LYS CB C 6.900 0.550 5.124 1.00 . A A . 19 LYS CB 1 1 19 5344 1 1 19 LYS CD C 6.813 0.238 2.622 1.00 . A A . 19 LYS CD 1 1 19 5345 1 1 19 LYS CE C 7.653 0.242 1.356 1.00 . A A . 19 LYS CE 1 1 19 5346 1 1 19 LYS CG C 7.553 0.879 3.787 1.00 . A A . 19 LYS CG 1 1 19 5347 1 1 19 LYS H H 5.472 -1.681 4.418 1.00 . A A . 19 LYS H 1 1 19 5348 1 1 19 LYS HA H 8.142 -1.144 5.531 1.00 . A A . 19 LYS HA 1 1 19 5349 1 1 19 LYS HB2 H 5.843 0.758 5.045 1.00 . A A . 19 LYS HB2 1 1 19 5350 1 1 19 LYS HB3 H 7.329 1.192 5.878 1.00 . A A . 19 LYS HB3 1 1 19 5351 1 1 19 LYS HD2 H 6.574 -0.784 2.877 1.00 . A A . 19 LYS HD2 1 1 19 5352 1 1 19 LYS HD3 H 5.902 0.789 2.440 1.00 . A A . 19 LYS HD3 1 1 19 5353 1 1 19 LYS HE2 H 7.956 1.255 1.141 1.00 . A A . 19 LYS HE2 1 1 19 5354 1 1 19 LYS HE3 H 8.529 -0.370 1.523 1.00 . A A . 19 LYS HE3 1 1 19 5355 1 1 19 LYS HG2 H 7.551 1.951 3.653 1.00 . A A . 19 LYS HG2 1 1 19 5356 1 1 19 LYS HG3 H 8.571 0.518 3.798 1.00 . A A . 19 LYS HG3 1 1 19 5357 1 1 19 LYS HZ1 H 7.088 -1.319 0.089 1.00 . A A . 19 LYS HZ1 1 1 19 5358 1 1 19 LYS HZ2 H 7.200 0.183 -0.681 1.00 . A A . 19 LYS HZ2 1 1 19 5359 1 1 19 LYS HZ3 H 5.882 -0.154 0.323 1.00 . A A . 19 LYS HZ3 1 1 19 5360 1 1 19 LYS N N 6.423 -1.806 4.613 1.00 . A A . 19 LYS N 1 1 19 5361 1 1 19 LYS NZ N 6.903 -0.301 0.190 1.00 . A A . 19 LYS NZ 1 1 19 5362 1 1 19 LYS O O 5.365 -1.092 7.213 1.00 . A A . 19 LYS O 1 1 19 5363 1 1 20 THR C C 6.561 -0.296 9.924 1.00 . A A . 20 THR C 1 1 19 5364 1 1 20 THR CA C 7.135 -1.564 9.298 1.00 . A A . 20 THR CA 1 1 19 5365 1 1 20 THR CB C 8.351 -2.030 10.121 1.00 . A A . 20 THR CB 1 1 19 5366 1 1 20 THR CG2 C 7.962 -2.290 11.569 1.00 . A A . 20 THR CG2 1 1 19 5367 1 1 20 THR H H 8.439 -1.356 7.644 1.00 . A A . 20 THR H 1 1 19 5368 1 1 20 THR HA H 6.384 -2.340 9.331 1.00 . A A . 20 THR HA 1 1 19 5369 1 1 20 THR HB H 9.101 -1.252 10.100 1.00 . A A . 20 THR HB 1 1 19 5370 1 1 20 THR HG1 H 9.530 -2.993 8.867 1.00 . A A . 20 THR HG1 1 1 19 5371 1 1 20 THR HG21 H 8.795 -2.736 12.091 1.00 . A A . 20 THR HG21 1 1 19 5372 1 1 20 THR HG22 H 7.117 -2.961 11.600 1.00 . A A . 20 THR HG22 1 1 19 5373 1 1 20 THR HG23 H 7.697 -1.357 12.044 1.00 . A A . 20 THR HG23 1 1 19 5374 1 1 20 THR N N 7.494 -1.343 7.901 1.00 . A A . 20 THR N 1 1 19 5375 1 1 20 THR O O 7.306 0.702 10.024 1.00 . A A . 20 THR O 1 1 19 5376 1 1 20 THR OXT O 5.373 -0.312 10.307 1.00 . A A . 20 THR OXT 1 1 19 5377 1 1 20 THR OG1 O 8.898 -3.224 9.552 1.00 . A A . 20 THR OG1 1 1 20 5378 1 1 1 ILE C C 2.581 -7.990 2.779 1.00 . A A . 1 ILE C 1 1 20 5379 1 1 1 ILE CA C 2.641 -9.499 2.559 1.00 . A A . 1 ILE CA 1 1 20 5380 1 1 1 ILE CB C 1.229 -10.013 2.216 1.00 . A A . 1 ILE CB 1 1 20 5381 1 1 1 ILE CD1 C -1.127 -10.296 3.153 1.00 . A A . 1 ILE CD1 1 1 20 5382 1 1 1 ILE CG1 C 0.297 -9.858 3.422 1.00 . A A . 1 ILE CG1 1 1 20 5383 1 1 1 ILE CG2 C 1.292 -11.466 1.766 1.00 . A A . 1 ILE CG2 1 1 20 5384 1 1 1 ILE H1 H 3.982 -10.813 3.468 1.00 . A A . 1 ILE H1 1 1 20 5385 1 1 1 ILE H2 H 2.457 -10.775 4.199 1.00 . A A . 1 ILE H2 1 1 20 5386 1 1 1 ILE H3 H 3.541 -9.500 4.441 1.00 . A A . 1 ILE H3 1 1 20 5387 1 1 1 ILE HA H 3.289 -9.701 1.718 1.00 . A A . 1 ILE HA 1 1 20 5388 1 1 1 ILE HB H 0.846 -9.425 1.396 1.00 . A A . 1 ILE HB 1 1 20 5389 1 1 1 ILE HD11 H -1.150 -10.925 2.276 1.00 . A A . 1 ILE HD11 1 1 20 5390 1 1 1 ILE HD12 H -1.747 -9.428 2.990 1.00 . A A . 1 ILE HD12 1 1 20 5391 1 1 1 ILE HD13 H -1.499 -10.850 4.003 1.00 . A A . 1 ILE HD13 1 1 20 5392 1 1 1 ILE HG12 H 0.675 -10.451 4.240 1.00 . A A . 1 ILE HG12 1 1 20 5393 1 1 1 ILE HG13 H 0.274 -8.819 3.717 1.00 . A A . 1 ILE HG13 1 1 20 5394 1 1 1 ILE HG21 H 2.214 -11.638 1.230 1.00 . A A . 1 ILE HG21 1 1 20 5395 1 1 1 ILE HG22 H 0.454 -11.679 1.118 1.00 . A A . 1 ILE HG22 1 1 20 5396 1 1 1 ILE HG23 H 1.251 -12.112 2.629 1.00 . A A . 1 ILE HG23 1 1 20 5397 1 1 1 ILE N N 3.193 -10.195 3.750 1.00 . A A . 1 ILE N 1 1 20 5398 1 1 1 ILE O O 2.157 -7.523 3.838 1.00 . A A . 1 ILE O 1 1 20 5399 1 1 2 CYS C C 1.577 -5.249 2.000 1.00 . A A . 2 CYS C 1 1 20 5400 1 1 2 CYS CA C 3.001 -5.776 1.853 1.00 . A A . 2 CYS CA 1 1 20 5401 1 1 2 CYS CB C 3.646 -5.171 0.606 1.00 . A A . 2 CYS CB 1 1 20 5402 1 1 2 CYS H H 3.333 -7.664 0.956 1.00 . A A . 2 CYS H 1 1 20 5403 1 1 2 CYS HA H 3.574 -5.487 2.720 1.00 . A A . 2 CYS HA 1 1 20 5404 1 1 2 CYS HB2 H 3.048 -5.420 -0.256 1.00 . A A . 2 CYS HB2 1 1 20 5405 1 1 2 CYS HB3 H 3.676 -4.097 0.716 1.00 . A A . 2 CYS HB3 1 1 20 5406 1 1 2 CYS N N 3.007 -7.233 1.772 1.00 . A A . 2 CYS N 1 1 20 5407 1 1 2 CYS O O 0.664 -5.691 1.299 1.00 . A A . 2 CYS O 1 1 20 5408 1 1 2 CYS SG S 5.346 -5.742 0.279 1.00 . A A . 2 CYS SG 1 1 20 5409 1 1 3 ILE C C -0.411 -3.018 1.852 1.00 . A A . 3 ILE C 1 1 20 5410 1 1 3 ILE CA C 0.069 -3.719 3.118 1.00 . A A . 3 ILE CA 1 1 20 5411 1 1 3 ILE CB C 0.051 -2.733 4.305 1.00 . A A . 3 ILE CB 1 1 20 5412 1 1 3 ILE CD1 C 1.118 -0.612 5.243 1.00 . A A . 3 ILE CD1 1 1 20 5413 1 1 3 ILE CG1 C 1.073 -1.608 4.102 1.00 . A A . 3 ILE CG1 1 1 20 5414 1 1 3 ILE CG2 C 0.320 -3.476 5.606 1.00 . A A . 3 ILE CG2 1 1 20 5415 1 1 3 ILE H H 2.146 -3.972 3.434 1.00 . A A . 3 ILE H 1 1 20 5416 1 1 3 ILE HA H -0.611 -4.530 3.342 1.00 . A A . 3 ILE HA 1 1 20 5417 1 1 3 ILE HB H -0.938 -2.305 4.364 1.00 . A A . 3 ILE HB 1 1 20 5418 1 1 3 ILE HD11 H 1.097 -1.141 6.184 1.00 . A A . 3 ILE HD11 1 1 20 5419 1 1 3 ILE HD12 H 0.263 0.045 5.181 1.00 . A A . 3 ILE HD12 1 1 20 5420 1 1 3 ILE HD13 H 2.025 -0.030 5.177 1.00 . A A . 3 ILE HD13 1 1 20 5421 1 1 3 ILE HG12 H 2.056 -2.036 3.998 1.00 . A A . 3 ILE HG12 1 1 20 5422 1 1 3 ILE HG13 H 0.826 -1.067 3.201 1.00 . A A . 3 ILE HG13 1 1 20 5423 1 1 3 ILE HG21 H -0.050 -4.487 5.526 1.00 . A A . 3 ILE HG21 1 1 20 5424 1 1 3 ILE HG22 H -0.183 -2.973 6.419 1.00 . A A . 3 ILE HG22 1 1 20 5425 1 1 3 ILE HG23 H 1.383 -3.495 5.797 1.00 . A A . 3 ILE HG23 1 1 20 5426 1 1 3 ILE N N 1.387 -4.296 2.906 1.00 . A A . 3 ILE N 1 1 20 5427 1 1 3 ILE O O -0.035 -1.881 1.569 1.00 . A A . 3 ILE O 1 1 20 5428 1 1 4 PHE C C -2.383 -1.810 0.063 1.00 . A A . 4 PHE C 1 1 20 5429 1 1 4 PHE CA C -1.749 -3.179 -0.168 1.00 . A A . 4 PHE CA 1 1 20 5430 1 1 4 PHE CB C -2.770 -4.142 -0.780 1.00 . A A . 4 PHE CB 1 1 20 5431 1 1 4 PHE CD1 C -2.079 -3.679 -3.148 1.00 . A A . 4 PHE CD1 1 1 20 5432 1 1 4 PHE CD2 C -4.409 -3.753 -2.642 1.00 . A A . 4 PHE CD2 1 1 20 5433 1 1 4 PHE CE1 C -2.371 -3.417 -4.473 1.00 . A A . 4 PHE CE1 1 1 20 5434 1 1 4 PHE CE2 C -4.706 -3.492 -3.966 1.00 . A A . 4 PHE CE2 1 1 20 5435 1 1 4 PHE CG C -3.093 -3.849 -2.218 1.00 . A A . 4 PHE CG 1 1 20 5436 1 1 4 PHE CZ C -3.686 -3.324 -4.882 1.00 . A A . 4 PHE CZ 1 1 20 5437 1 1 4 PHE H H -1.477 -4.630 1.352 1.00 . A A . 4 PHE H 1 1 20 5438 1 1 4 PHE HA H -0.918 -3.067 -0.849 1.00 . A A . 4 PHE HA 1 1 20 5439 1 1 4 PHE HB2 H -2.384 -5.147 -0.726 1.00 . A A . 4 PHE HB2 1 1 20 5440 1 1 4 PHE HB3 H -3.690 -4.085 -0.214 1.00 . A A . 4 PHE HB3 1 1 20 5441 1 1 4 PHE HD1 H -1.049 -3.752 -2.828 1.00 . A A . 4 PHE HD1 1 1 20 5442 1 1 4 PHE HD2 H -5.206 -3.883 -1.927 1.00 . A A . 4 PHE HD2 1 1 20 5443 1 1 4 PHE HE1 H -1.571 -3.286 -5.187 1.00 . A A . 4 PHE HE1 1 1 20 5444 1 1 4 PHE HE2 H -5.735 -3.420 -4.285 1.00 . A A . 4 PHE HE2 1 1 20 5445 1 1 4 PHE HZ H -3.917 -3.121 -5.918 1.00 . A A . 4 PHE HZ 1 1 20 5446 1 1 4 PHE N N -1.230 -3.720 1.080 1.00 . A A . 4 PHE N 1 1 20 5447 1 1 4 PHE O O -3.516 -1.707 0.536 1.00 . A A . 4 PHE O 1 1 20 5448 1 1 5 CYS C C -3.122 0.994 -1.148 1.00 . A A . 5 CYS C 1 1 20 5449 1 1 5 CYS CA C -2.089 0.611 -0.098 1.00 . A A . 5 CYS CA 1 1 20 5450 1 1 5 CYS CB C -0.904 1.577 -0.163 1.00 . A A . 5 CYS CB 1 1 20 5451 1 1 5 CYS H H -0.738 -0.924 -0.631 1.00 . A A . 5 CYS H 1 1 20 5452 1 1 5 CYS HA H -2.550 0.685 0.874 1.00 . A A . 5 CYS HA 1 1 20 5453 1 1 5 CYS HB2 H -0.350 1.390 -1.069 1.00 . A A . 5 CYS HB2 1 1 20 5454 1 1 5 CYS HB3 H -1.279 2.590 -0.180 1.00 . A A . 5 CYS HB3 1 1 20 5455 1 1 5 CYS N N -1.632 -0.764 -0.268 1.00 . A A . 5 CYS N 1 1 20 5456 1 1 5 CYS O O -2.843 1.781 -2.050 1.00 . A A . 5 CYS O 1 1 20 5457 1 1 5 CYS SG S 0.263 1.441 1.227 1.00 . A A . 5 CYS SG 1 1 20 5458 1 1 6 CYS C C -5.974 2.118 -1.669 1.00 . A A . 6 CYS C 1 1 20 5459 1 1 6 CYS CA C -5.395 0.734 -1.951 1.00 . A A . 6 CYS CA 1 1 20 5460 1 1 6 CYS CB C -6.487 -0.334 -1.873 1.00 . A A . 6 CYS CB 1 1 20 5461 1 1 6 CYS H H -4.479 -0.172 -0.269 1.00 . A A . 6 CYS H 1 1 20 5462 1 1 6 CYS HA H -4.973 0.733 -2.945 1.00 . A A . 6 CYS HA 1 1 20 5463 1 1 6 CYS HB2 H -6.099 -1.197 -1.354 1.00 . A A . 6 CYS HB2 1 1 20 5464 1 1 6 CYS HB3 H -7.328 0.063 -1.324 1.00 . A A . 6 CYS HB3 1 1 20 5465 1 1 6 CYS N N -4.317 0.440 -1.017 1.00 . A A . 6 CYS N 1 1 20 5466 1 1 6 CYS O O -5.773 2.672 -0.589 1.00 . A A . 6 CYS O 1 1 20 5467 1 1 6 CYS SG S -7.099 -0.897 -3.500 1.00 . A A . 6 CYS SG 1 1 20 5468 1 1 7 GLY C C -8.472 4.030 -1.591 1.00 . A A . 7 GLY C 1 1 20 5469 1 1 7 GLY CA C -7.256 4.002 -2.498 1.00 . A A . 7 GLY CA 1 1 20 5470 1 1 7 GLY H H -6.787 2.196 -3.495 1.00 . A A . 7 GLY H 1 1 20 5471 1 1 7 GLY HA2 H -6.508 4.663 -2.089 1.00 . A A . 7 GLY HA2 1 1 20 5472 1 1 7 GLY HA3 H -7.542 4.368 -3.473 1.00 . A A . 7 GLY HA3 1 1 20 5473 1 1 7 GLY N N -6.674 2.679 -2.653 1.00 . A A . 7 GLY N 1 1 20 5474 1 1 7 GLY O O -9.468 4.678 -1.909 1.00 . A A . 7 GLY O 1 1 20 5475 1 1 8 CYS C C -9.584 4.596 1.258 1.00 . A A . 8 CYS C 1 1 20 5476 1 1 8 CYS CA C -9.504 3.308 0.487 1.00 . A A . 8 CYS CA 1 1 20 5477 1 1 8 CYS CB C -9.320 2.189 1.530 1.00 . A A . 8 CYS CB 1 1 20 5478 1 1 8 CYS H H -7.576 2.845 -0.251 1.00 . A A . 8 CYS H 1 1 20 5479 1 1 8 CYS HA H -10.421 3.147 -0.055 1.00 . A A . 8 CYS HA 1 1 20 5480 1 1 8 CYS HB2 H -10.264 2.013 2.024 1.00 . A A . 8 CYS HB2 1 1 20 5481 1 1 8 CYS HB3 H -9.016 1.286 1.022 1.00 . A A . 8 CYS HB3 1 1 20 5482 1 1 8 CYS N N -8.395 3.338 -0.459 1.00 . A A . 8 CYS N 1 1 20 5483 1 1 8 CYS O O -10.648 5.195 1.419 1.00 . A A . 8 CYS O 1 1 20 5484 1 1 8 CYS SG S -8.066 2.541 2.842 1.00 . A A . 8 CYS SG 1 1 20 5485 1 1 9 CYS C C -7.195 6.990 2.332 1.00 . A A . 9 CYS C 1 1 20 5486 1 1 9 CYS CA C -8.347 6.057 2.706 1.00 . A A . 9 CYS CA 1 1 20 5487 1 1 9 CYS CB C -8.161 5.439 4.083 1.00 . A A . 9 CYS CB 1 1 20 5488 1 1 9 CYS H H -7.672 4.354 1.713 1.00 . A A . 9 CYS H 1 1 20 5489 1 1 9 CYS HA H -9.277 6.601 2.686 1.00 . A A . 9 CYS HA 1 1 20 5490 1 1 9 CYS HB2 H -7.107 5.305 4.277 1.00 . A A . 9 CYS HB2 1 1 20 5491 1 1 9 CYS HB3 H -8.585 6.092 4.831 1.00 . A A . 9 CYS HB3 1 1 20 5492 1 1 9 CYS N N -8.451 4.934 1.828 1.00 . A A . 9 CYS N 1 1 20 5493 1 1 9 CYS O O -7.409 8.157 2.003 1.00 . A A . 9 CYS O 1 1 20 5494 1 1 9 CYS SG S -8.986 3.796 4.234 1.00 . A A . 9 CYS SG 1 1 20 5495 1 1 10 HIS C C -4.576 7.358 0.557 1.00 . A A . 10 HIS C 1 1 20 5496 1 1 10 HIS CA C -4.781 7.247 2.072 1.00 . A A . 10 HIS CA 1 1 20 5497 1 1 10 HIS CB C -3.548 6.640 2.752 1.00 . A A . 10 HIS CB 1 1 20 5498 1 1 10 HIS CD2 C -2.376 4.479 1.918 1.00 . A A . 10 HIS CD2 1 1 20 5499 1 1 10 HIS CE1 C -3.884 3.026 2.566 1.00 . A A . 10 HIS CE1 1 1 20 5500 1 1 10 HIS CG C -3.379 5.170 2.510 1.00 . A A . 10 HIS CG 1 1 20 5501 1 1 10 HIS H H -5.870 5.532 2.669 1.00 . A A . 10 HIS H 1 1 20 5502 1 1 10 HIS HA H -4.934 8.241 2.464 1.00 . A A . 10 HIS HA 1 1 20 5503 1 1 10 HIS HB2 H -2.663 7.138 2.386 1.00 . A A . 10 HIS HB2 1 1 20 5504 1 1 10 HIS HB3 H -3.624 6.794 3.819 1.00 . A A . 10 HIS HB3 1 1 20 5505 1 1 10 HIS HD1 H -5.153 4.418 3.363 1.00 . A A . 10 HIS HD1 1 1 20 5506 1 1 10 HIS HD2 H -1.476 4.898 1.488 1.00 . A A . 10 HIS HD2 1 1 20 5507 1 1 10 HIS HE1 H -4.404 2.099 2.749 1.00 . A A . 10 HIS HE1 1 1 20 5508 1 1 10 HIS HE2 H -2.117 2.405 1.742 1.00 . A A . 10 HIS HE2 1 1 20 5509 1 1 10 HIS N N -5.973 6.466 2.394 1.00 . A A . 10 HIS N 1 1 20 5510 1 1 10 HIS ND1 N -4.308 4.230 2.903 1.00 . A A . 10 HIS ND1 1 1 20 5511 1 1 10 HIS NE2 N -2.714 3.149 1.966 1.00 . A A . 10 HIS NE2 1 1 20 5512 1 1 10 HIS O O -5.482 7.776 -0.164 1.00 . A A . 10 HIS O 1 1 20 5513 1 1 11 ARG C C -4.194 6.533 -2.200 1.00 . A A . 11 ARG C 1 1 20 5514 1 1 11 ARG CA C -3.054 7.063 -1.341 1.00 . A A . 11 ARG CA 1 1 20 5515 1 1 11 ARG CB C -1.781 6.267 -1.632 1.00 . A A . 11 ARG CB 1 1 20 5516 1 1 11 ARG CD C 0.674 5.959 -1.191 1.00 . A A . 11 ARG CD 1 1 20 5517 1 1 11 ARG CG C -0.539 6.855 -0.989 1.00 . A A . 11 ARG CG 1 1 20 5518 1 1 11 ARG CZ C 1.971 6.661 0.786 1.00 . A A . 11 ARG CZ 1 1 20 5519 1 1 11 ARG H H -2.695 6.678 0.708 1.00 . A A . 11 ARG H 1 1 20 5520 1 1 11 ARG HA H -2.883 8.099 -1.591 1.00 . A A . 11 ARG HA 1 1 20 5521 1 1 11 ARG HB2 H -1.908 5.258 -1.265 1.00 . A A . 11 ARG HB2 1 1 20 5522 1 1 11 ARG HB3 H -1.626 6.235 -2.700 1.00 . A A . 11 ARG HB3 1 1 20 5523 1 1 11 ARG HD2 H 0.455 4.981 -0.787 1.00 . A A . 11 ARG HD2 1 1 20 5524 1 1 11 ARG HD3 H 0.869 5.874 -2.251 1.00 . A A . 11 ARG HD3 1 1 20 5525 1 1 11 ARG HE H 2.627 6.733 -1.099 1.00 . A A . 11 ARG HE 1 1 20 5526 1 1 11 ARG HG2 H -0.340 7.817 -1.435 1.00 . A A . 11 ARG HG2 1 1 20 5527 1 1 11 ARG HG3 H -0.715 6.975 0.070 1.00 . A A . 11 ARG HG3 1 1 20 5528 1 1 11 ARG HH11 H 0.129 5.939 1.206 1.00 . A A . 11 ARG HH11 1 1 20 5529 1 1 11 ARG HH12 H 1.054 6.458 2.576 1.00 . A A . 11 ARG HH12 1 1 20 5530 1 1 11 ARG HH21 H 3.845 7.415 0.703 1.00 . A A . 11 ARG HH21 1 1 20 5531 1 1 11 ARG HH22 H 3.162 7.295 2.290 1.00 . A A . 11 ARG HH22 1 1 20 5532 1 1 11 ARG N N -3.379 6.993 0.083 1.00 . A A . 11 ARG N 1 1 20 5533 1 1 11 ARG NE N 1.866 6.488 -0.531 1.00 . A A . 11 ARG NE 1 1 20 5534 1 1 11 ARG NH1 N 0.969 6.325 1.588 1.00 . A A . 11 ARG NH1 1 1 20 5535 1 1 11 ARG NH2 N 3.084 7.165 1.302 1.00 . A A . 11 ARG NH2 1 1 20 5536 1 1 11 ARG O O -4.730 5.457 -1.943 1.00 . A A . 11 ARG O 1 1 20 5537 1 1 12 SER C C -5.253 5.690 -4.944 1.00 . A A . 12 SER C 1 1 20 5538 1 1 12 SER CA C -5.629 6.922 -4.129 1.00 . A A . 12 SER CA 1 1 20 5539 1 1 12 SER CB C -5.962 8.083 -5.068 1.00 . A A . 12 SER CB 1 1 20 5540 1 1 12 SER H H -4.082 8.147 -3.372 1.00 . A A . 12 SER H 1 1 20 5541 1 1 12 SER HA H -6.499 6.692 -3.535 1.00 . A A . 12 SER HA 1 1 20 5542 1 1 12 SER HB2 H -5.091 8.329 -5.657 1.00 . A A . 12 SER HB2 1 1 20 5543 1 1 12 SER HB3 H -6.768 7.792 -5.725 1.00 . A A . 12 SER HB3 1 1 20 5544 1 1 12 SER HG H -6.865 8.962 -3.568 1.00 . A A . 12 SER HG 1 1 20 5545 1 1 12 SER N N -4.554 7.301 -3.223 1.00 . A A . 12 SER N 1 1 20 5546 1 1 12 SER O O -6.080 4.808 -5.172 1.00 . A A . 12 SER O 1 1 20 5547 1 1 12 SER OG O -6.359 9.231 -4.338 1.00 . A A . 12 SER OG 1 1 20 5548 1 1 13 LYS C C -3.226 3.305 -5.300 1.00 . A A . 13 LYS C 1 1 20 5549 1 1 13 LYS CA C -3.522 4.516 -6.181 1.00 . A A . 13 LYS CA 1 1 20 5550 1 1 13 LYS CB C -2.268 4.912 -6.965 1.00 . A A . 13 LYS CB 1 1 20 5551 1 1 13 LYS CD C -3.567 5.797 -8.940 1.00 . A A . 13 LYS CD 1 1 20 5552 1 1 13 LYS CE C -3.205 4.616 -9.827 1.00 . A A . 13 LYS CE 1 1 20 5553 1 1 13 LYS CG C -2.481 6.086 -7.912 1.00 . A A . 13 LYS CG 1 1 20 5554 1 1 13 LYS H H -3.389 6.377 -5.171 1.00 . A A . 13 LYS H 1 1 20 5555 1 1 13 LYS HA H -4.301 4.251 -6.881 1.00 . A A . 13 LYS HA 1 1 20 5556 1 1 13 LYS HB2 H -1.489 5.180 -6.266 1.00 . A A . 13 LYS HB2 1 1 20 5557 1 1 13 LYS HB3 H -1.939 4.064 -7.547 1.00 . A A . 13 LYS HB3 1 1 20 5558 1 1 13 LYS HD2 H -4.489 5.574 -8.422 1.00 . A A . 13 LYS HD2 1 1 20 5559 1 1 13 LYS HD3 H -3.704 6.673 -9.559 1.00 . A A . 13 LYS HD3 1 1 20 5560 1 1 13 LYS HE2 H -3.048 3.748 -9.204 1.00 . A A . 13 LYS HE2 1 1 20 5561 1 1 13 LYS HE3 H -4.025 4.427 -10.506 1.00 . A A . 13 LYS HE3 1 1 20 5562 1 1 13 LYS HG2 H -2.769 6.951 -7.336 1.00 . A A . 13 LYS HG2 1 1 20 5563 1 1 13 LYS HG3 H -1.555 6.289 -8.430 1.00 . A A . 13 LYS HG3 1 1 20 5564 1 1 13 LYS HZ1 H -1.830 4.116 -11.319 1.00 . A A . 13 LYS HZ1 1 1 20 5565 1 1 13 LYS HZ2 H -1.141 4.903 -9.989 1.00 . A A . 13 LYS HZ2 1 1 20 5566 1 1 13 LYS HZ3 H -2.047 5.781 -11.117 1.00 . A A . 13 LYS HZ3 1 1 20 5567 1 1 13 LYS N N -4.002 5.641 -5.385 1.00 . A A . 13 LYS N 1 1 20 5568 1 1 13 LYS NZ N -1.969 4.872 -10.619 1.00 . A A . 13 LYS NZ 1 1 20 5569 1 1 13 LYS O O -2.474 3.401 -4.330 1.00 . A A . 13 LYS O 1 1 20 5570 1 1 14 CYS C C -2.240 0.341 -5.194 1.00 . A A . 14 CYS C 1 1 20 5571 1 1 14 CYS CA C -3.614 0.936 -4.894 1.00 . A A . 14 CYS CA 1 1 20 5572 1 1 14 CYS CB C -4.711 -0.083 -5.221 1.00 . A A . 14 CYS CB 1 1 20 5573 1 1 14 CYS H H -4.403 2.153 -6.435 1.00 . A A . 14 CYS H 1 1 20 5574 1 1 14 CYS HA H -3.665 1.180 -3.844 1.00 . A A . 14 CYS HA 1 1 20 5575 1 1 14 CYS HB2 H -4.683 -0.306 -6.277 1.00 . A A . 14 CYS HB2 1 1 20 5576 1 1 14 CYS HB3 H -4.529 -0.988 -4.663 1.00 . A A . 14 CYS HB3 1 1 20 5577 1 1 14 CYS N N -3.818 2.166 -5.650 1.00 . A A . 14 CYS N 1 1 20 5578 1 1 14 CYS O O -1.837 0.243 -6.352 1.00 . A A . 14 CYS O 1 1 20 5579 1 1 14 CYS SG S -6.397 0.487 -4.821 1.00 . A A . 14 CYS SG 1 1 20 5580 1 1 15 GLY C C 0.374 -1.168 -3.026 1.00 . A A . 15 GLY C 1 1 20 5581 1 1 15 GLY CA C -0.208 -0.638 -4.322 1.00 . A A . 15 GLY CA 1 1 20 5582 1 1 15 GLY H H -1.899 0.045 -3.241 1.00 . A A . 15 GLY H 1 1 20 5583 1 1 15 GLY HA2 H -0.278 -1.451 -5.030 1.00 . A A . 15 GLY HA2 1 1 20 5584 1 1 15 GLY HA3 H 0.455 0.115 -4.720 1.00 . A A . 15 GLY HA3 1 1 20 5585 1 1 15 GLY N N -1.527 -0.057 -4.143 1.00 . A A . 15 GLY N 1 1 20 5586 1 1 15 GLY O O 0.411 -0.461 -2.021 1.00 . A A . 15 GLY O 1 1 20 5587 1 1 16 MET C C 2.487 -2.191 -1.245 1.00 . A A . 16 MET C 1 1 20 5588 1 1 16 MET CA C 1.407 -3.063 -1.881 1.00 . A A . 16 MET CA 1 1 20 5589 1 1 16 MET CB C 1.993 -4.421 -2.270 1.00 . A A . 16 MET CB 1 1 20 5590 1 1 16 MET CE C 2.345 -6.735 -4.444 1.00 . A A . 16 MET CE 1 1 20 5591 1 1 16 MET CG C 3.112 -4.329 -3.297 1.00 . A A . 16 MET CG 1 1 20 5592 1 1 16 MET H H 0.763 -2.926 -3.892 1.00 . A A . 16 MET H 1 1 20 5593 1 1 16 MET HA H 0.617 -3.217 -1.162 1.00 . A A . 16 MET HA 1 1 20 5594 1 1 16 MET HB2 H 2.384 -4.899 -1.385 1.00 . A A . 16 MET HB2 1 1 20 5595 1 1 16 MET HB3 H 1.206 -5.035 -2.683 1.00 . A A . 16 MET HB3 1 1 20 5596 1 1 16 MET HE1 H 1.629 -6.942 -3.662 1.00 . A A . 16 MET HE1 1 1 20 5597 1 1 16 MET HE2 H 2.639 -7.661 -4.917 1.00 . A A . 16 MET HE2 1 1 20 5598 1 1 16 MET HE3 H 1.897 -6.082 -5.178 1.00 . A A . 16 MET HE3 1 1 20 5599 1 1 16 MET HG2 H 2.725 -3.860 -4.188 1.00 . A A . 16 MET HG2 1 1 20 5600 1 1 16 MET HG3 H 3.906 -3.721 -2.888 1.00 . A A . 16 MET HG3 1 1 20 5601 1 1 16 MET N N 0.825 -2.419 -3.055 1.00 . A A . 16 MET N 1 1 20 5602 1 1 16 MET O O 3.278 -1.559 -1.945 1.00 . A A . 16 MET O 1 1 20 5603 1 1 16 MET SD S 3.788 -5.942 -3.739 1.00 . A A . 16 MET SD 1 1 20 5604 1 1 17 CYS C C 4.218 -2.184 1.875 1.00 . A A . 17 CYS C 1 1 20 5605 1 1 17 CYS CA C 3.495 -1.360 0.812 1.00 . A A . 17 CYS CA 1 1 20 5606 1 1 17 CYS CB C 2.819 -0.163 1.481 1.00 . A A . 17 CYS CB 1 1 20 5607 1 1 17 CYS H H 1.852 -2.685 0.591 1.00 . A A . 17 CYS H 1 1 20 5608 1 1 17 CYS HA H 4.220 -0.998 0.098 1.00 . A A . 17 CYS HA 1 1 20 5609 1 1 17 CYS HB2 H 2.053 -0.523 2.151 1.00 . A A . 17 CYS HB2 1 1 20 5610 1 1 17 CYS HB3 H 3.557 0.383 2.052 1.00 . A A . 17 CYS HB3 1 1 20 5611 1 1 17 CYS N N 2.512 -2.161 0.086 1.00 . A A . 17 CYS N 1 1 20 5612 1 1 17 CYS O O 3.589 -2.772 2.753 1.00 . A A . 17 CYS O 1 1 20 5613 1 1 17 CYS SG S 2.033 1.009 0.330 1.00 . A A . 17 CYS SG 1 1 20 5614 1 1 18 CYS C C 7.334 -1.991 3.474 1.00 . A A . 18 CYS C 1 1 20 5615 1 1 18 CYS CA C 6.363 -2.928 2.764 1.00 . A A . 18 CYS CA 1 1 20 5616 1 1 18 CYS CB C 7.129 -4.068 2.088 1.00 . A A . 18 CYS CB 1 1 20 5617 1 1 18 CYS H H 5.987 -1.697 1.084 1.00 . A A . 18 CYS H 1 1 20 5618 1 1 18 CYS HA H 5.695 -3.350 3.502 1.00 . A A . 18 CYS HA 1 1 20 5619 1 1 18 CYS HB2 H 7.321 -3.802 1.060 1.00 . A A . 18 CYS HB2 1 1 20 5620 1 1 18 CYS HB3 H 8.071 -4.211 2.600 1.00 . A A . 18 CYS HB3 1 1 20 5621 1 1 18 CYS N N 5.545 -2.200 1.800 1.00 . A A . 18 CYS N 1 1 20 5622 1 1 18 CYS O O 7.770 -0.989 2.906 1.00 . A A . 18 CYS O 1 1 20 5623 1 1 18 CYS SG S 6.245 -5.662 2.093 1.00 . A A . 18 CYS SG 1 1 20 5624 1 1 19 LYS C C 9.770 -1.047 4.711 1.00 . A A . 19 LYS C 1 1 20 5625 1 1 19 LYS CA C 8.576 -1.532 5.533 1.00 . A A . 19 LYS CA 1 1 20 5626 1 1 19 LYS CB C 9.073 -2.354 6.728 1.00 . A A . 19 LYS CB 1 1 20 5627 1 1 19 LYS CD C 9.464 -4.479 5.415 1.00 . A A . 19 LYS CD 1 1 20 5628 1 1 19 LYS CE C 10.495 -5.506 4.975 1.00 . A A . 19 LYS CE 1 1 20 5629 1 1 19 LYS CG C 10.069 -3.451 6.361 1.00 . A A . 19 LYS CG 1 1 20 5630 1 1 19 LYS H H 7.266 -3.137 5.107 1.00 . A A . 19 LYS H 1 1 20 5631 1 1 19 LYS HA H 8.034 -0.673 5.900 1.00 . A A . 19 LYS HA 1 1 20 5632 1 1 19 LYS HB2 H 9.551 -1.689 7.433 1.00 . A A . 19 LYS HB2 1 1 20 5633 1 1 19 LYS HB3 H 8.224 -2.817 7.208 1.00 . A A . 19 LYS HB3 1 1 20 5634 1 1 19 LYS HD2 H 8.657 -4.987 5.918 1.00 . A A . 19 LYS HD2 1 1 20 5635 1 1 19 LYS HD3 H 9.085 -3.969 4.541 1.00 . A A . 19 LYS HD3 1 1 20 5636 1 1 19 LYS HE2 H 11.290 -4.996 4.452 1.00 . A A . 19 LYS HE2 1 1 20 5637 1 1 19 LYS HE3 H 10.894 -5.995 5.851 1.00 . A A . 19 LYS HE3 1 1 20 5638 1 1 19 LYS HG2 H 10.924 -2.999 5.882 1.00 . A A . 19 LYS HG2 1 1 20 5639 1 1 19 LYS HG3 H 10.385 -3.951 7.265 1.00 . A A . 19 LYS HG3 1 1 20 5640 1 1 19 LYS HZ1 H 10.661 -7.059 3.587 1.00 . A A . 19 LYS HZ1 1 1 20 5641 1 1 19 LYS HZ2 H 9.304 -6.076 3.357 1.00 . A A . 19 LYS HZ2 1 1 20 5642 1 1 19 LYS HZ3 H 9.327 -7.201 4.620 1.00 . A A . 19 LYS HZ3 1 1 20 5643 1 1 19 LYS N N 7.659 -2.328 4.720 1.00 . A A . 19 LYS N 1 1 20 5644 1 1 19 LYS NZ N 9.905 -6.532 4.072 1.00 . A A . 19 LYS NZ 1 1 20 5645 1 1 19 LYS O O 10.312 -1.786 3.889 1.00 . A A . 19 LYS O 1 1 20 5646 1 1 20 THR C C 12.593 0.046 4.527 1.00 . A A . 20 THR C 1 1 20 5647 1 1 20 THR CA C 11.296 0.788 4.220 1.00 . A A . 20 THR CA 1 1 20 5648 1 1 20 THR CB C 11.473 2.277 4.573 1.00 . A A . 20 THR CB 1 1 20 5649 1 1 20 THR CG2 C 11.655 2.462 6.073 1.00 . A A . 20 THR CG2 1 1 20 5650 1 1 20 THR H H 9.695 0.740 5.604 1.00 . A A . 20 THR H 1 1 20 5651 1 1 20 THR HA H 11.091 0.712 3.162 1.00 . A A . 20 THR HA 1 1 20 5652 1 1 20 THR HB H 10.586 2.811 4.265 1.00 . A A . 20 THR HB 1 1 20 5653 1 1 20 THR HG1 H 13.266 3.096 4.515 1.00 . A A . 20 THR HG1 1 1 20 5654 1 1 20 THR HG21 H 11.465 1.526 6.578 1.00 . A A . 20 THR HG21 1 1 20 5655 1 1 20 THR HG22 H 10.963 3.211 6.429 1.00 . A A . 20 THR HG22 1 1 20 5656 1 1 20 THR HG23 H 12.667 2.782 6.276 1.00 . A A . 20 THR HG23 1 1 20 5657 1 1 20 THR N N 10.169 0.201 4.937 1.00 . A A . 20 THR N 1 1 20 5658 1 1 20 THR O O 12.650 -0.637 5.572 1.00 . A A . 20 THR O 1 1 20 5659 1 1 20 THR OXT O 13.540 0.153 3.720 1.00 . A A . 20 THR OXT 1 1 20 5660 1 1 20 THR OG1 O 12.605 2.814 3.879 1.00 . A A . 20 THR OG1 1 1 stop_ save_
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