NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
386257 | 1liq | 5369 | cing | 4-filtered-FRED | STAR | entry | full | 264 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1liq # This FRED archive file contains, for PDB entry <1liq>: # # - 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_1liq _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1liq _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3133.03 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 $CREB_Binding_Protein A . 1 1 2 . 2 $ZINC_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 ZN 1 ZN 1 1 stop_ save_ save_CREB_Binding_Protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "CREB Binding Protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code EVRACSLPHCRTMKNVLNHMTHCQAGK _Entity.Number_of_monomers 27 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLU . 1 1 2 VAL . 1 1 3 ARG . 1 1 4 ALA . 1 1 5 CYS . 1 1 6 SER . 1 1 7 LEU . 1 1 8 PRO . 1 1 9 HIS . 1 1 10 CYS . 1 1 11 ARG . 1 1 12 THR . 1 1 13 MET . 1 1 14 LYS . 1 1 15 ASN . 1 1 16 VAL . 1 1 17 LEU . 1 1 18 ASN . 1 1 19 HIS . 1 1 20 MET . 1 1 21 THR . 1 1 22 HIS . 1 1 23 CYS . 1 1 24 GLN . 1 1 25 ALA . 1 1 26 GLY . 1 1 27 LYS . 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 GLU 1 1 1 1 VAL 2 2 1 1 ARG 3 3 1 1 ALA 4 4 1 1 CYS 5 5 1 1 SER 6 6 1 1 LEU 7 7 1 1 PRO 8 8 1 1 HIS 9 9 1 1 CYS 10 10 1 1 ARG 11 11 1 1 THR 12 12 1 1 MET 13 13 1 1 LYS 14 14 1 1 ASN 15 15 1 1 VAL 16 16 1 1 LEU 17 17 1 1 ASN 18 18 1 1 HIS 19 19 1 1 MET 20 20 1 1 THR 21 21 1 1 HIS 22 22 1 1 CYS 23 23 1 1 GLN 24 24 1 1 ALA 25 25 1 1 GLY 26 26 1 1 LYS 27 27 1 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 2 stop_ save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 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 GLU HA . 1 . HA 1 1 1 1 2 1 1 2 VAL H . 2 . HN 1 1 2 1 1 1 1 1 GLU HA . 1 . HA 1 1 2 1 2 1 1 2 VAL HB . 2 . HB 1 1 3 1 1 1 1 1 GLU QB . 1 . HB* 1 1 3 1 2 1 1 3 ARG QG . 3 . HG* 1 1 4 1 1 1 1 1 GLU QB . 1 . HB* 1 1 4 1 2 1 1 4 ALA H . 4 . HN 1 1 5 1 1 1 1 1 GLU QB . 1 . HB* 1 1 5 1 2 1 1 4 ALA MB . 4 . HB* 1 1 6 1 1 1 1 1 GLU QG . 1 . HG* 1 1 6 1 2 1 1 2 VAL H . 2 . HN 1 1 7 1 1 1 1 1 GLU QG . 1 . HG* 1 1 7 1 2 1 1 3 ARG H . 3 . HN 1 1 8 1 1 1 1 1 GLU QG . 1 . HG* 1 1 8 1 2 1 1 4 ALA MB . 4 . HB* 1 1 9 1 1 1 1 2 VAL H . 2 . HN 1 1 9 1 2 1 1 2 VAL HB . 2 . HB 1 1 10 1 1 1 1 2 VAL H . 2 . HN 1 1 10 1 2 1 1 2 VAL MG1 . 2 . HG1* 1 1 11 1 1 1 1 2 VAL H . 2 . HN 1 1 11 1 2 1 1 3 ARG H . 3 . HN 1 1 12 1 1 1 1 2 VAL H . 2 . HN 1 1 12 1 2 1 1 16 VAL HA . 16 . HA 1 1 13 1 1 1 1 2 VAL H . 2 . HN 1 1 13 1 2 1 1 16 VAL MG1 . 16 . HG1* 1 1 14 1 1 1 1 2 VAL H . 2 . HN 1 1 14 1 2 1 1 16 VAL MG2 . 16 . HG2* 1 1 15 1 1 1 1 2 VAL H . 2 . HN 1 1 15 1 2 1 1 19 HIS QB . 19 . HB* 1 1 16 1 1 1 1 2 VAL H . 2 . HN 1 1 16 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 17 1 1 1 1 2 VAL HA . 2 . HA 1 1 17 1 2 1 1 2 VAL HB . 2 . HB 1 1 18 1 1 1 1 2 VAL HA . 2 . HA 1 1 18 1 2 1 1 5 CYS H . 5 . HN 1 1 19 1 1 1 1 2 VAL HA . 2 . HA 1 1 19 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 20 1 1 1 1 2 VAL HA . 2 . HA 1 1 20 1 2 1 1 5 CYS QB . 5 . HB* 1 1 21 1 1 1 1 2 VAL HA . 2 . HA 1 1 21 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 22 1 1 1 1 2 VAL HA . 2 . HA 1 1 22 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 23 1 1 1 1 2 VAL HA . 2 . HA 1 1 23 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 24 1 1 1 1 2 VAL HB . 2 . HB 1 1 24 1 2 1 1 14 LYS H . 14 . HN 1 1 25 1 1 1 1 2 VAL HB . 2 . HB 1 1 25 1 2 1 1 16 VAL HA . 16 . HA 1 1 26 1 1 1 1 2 VAL HB . 2 . HB 1 1 26 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 27 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 27 1 2 1 1 3 ARG H . 3 . HN 1 1 28 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 28 1 2 1 1 3 ARG HA . 3 . HA 1 1 29 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 29 1 2 1 1 5 CYS QB . 5 . HB* 1 1 30 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 30 1 2 1 1 11 ARG HB2 . 11 . HB2 1 1 31 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 31 1 2 1 1 11 ARG QB . 11 . HB* 1 1 32 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 32 1 2 1 1 11 ARG HB3 . 11 . HB1 1 1 33 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 33 1 2 1 1 11 ARG QG . 11 . HG* 1 1 34 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 34 1 2 1 1 14 LYS H . 14 . HN 1 1 35 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 35 1 2 1 1 14 LYS HA . 14 . HA 1 1 36 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 36 1 2 1 1 15 ASN H . 15 . HN 1 1 37 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 37 1 2 1 1 16 VAL HA . 16 . HA 1 1 38 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 38 1 2 1 1 16 VAL HB . 16 . HB 1 1 39 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 39 1 2 1 1 16 VAL MG2 . 16 . HG2* 1 1 40 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 40 1 2 1 1 19 HIS H . 19 . HN 1 1 41 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 41 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 42 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 42 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 43 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 43 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 44 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 44 1 2 1 1 3 ARG H . 3 . HN 1 1 45 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 45 1 2 1 1 3 ARG HA . 3 . HA 1 1 46 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 46 1 2 1 1 5 CYS H . 5 . HN 1 1 47 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 47 1 2 1 1 9 HIS QB . 9 . HB* 1 1 48 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 48 1 2 1 1 11 ARG HB2 . 11 . HB2 1 1 49 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 49 1 2 1 1 11 ARG QB . 11 . HB* 1 1 50 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 50 1 2 1 1 11 ARG HB3 . 11 . HB1 1 1 51 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 51 1 2 1 1 14 LYS H . 14 . HN 1 1 52 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 52 1 2 1 1 14 LYS HA . 14 . HA 1 1 53 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 53 1 2 1 1 15 ASN H . 15 . HN 1 1 54 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 54 1 2 1 1 16 VAL HA . 16 . HA 1 1 55 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 55 1 2 1 1 16 VAL HB . 16 . HB 1 1 56 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 56 1 2 1 1 16 VAL MG2 . 16 . HG2* 1 1 57 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 57 1 2 1 1 19 HIS H . 19 . HN 1 1 58 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 58 1 2 1 1 19 HIS HA . 19 . HA 1 1 59 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 59 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 60 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 60 1 2 1 1 19 HIS QB . 19 . HB* 1 1 61 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 61 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 62 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 62 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 63 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 63 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 64 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 64 1 2 1 1 20 MET H . 20 . HN 1 1 65 1 1 1 1 3 ARG H . 3 . HN 1 1 65 1 2 1 1 3 ARG HB2 . 3 . HB2 1 1 66 1 1 1 1 3 ARG H . 3 . HN 1 1 66 1 2 1 1 3 ARG HB3 . 3 . HB1 1 1 67 1 1 1 1 3 ARG H . 3 . HN 1 1 67 1 2 1 1 3 ARG QD . 3 . HD* 1 1 68 1 1 1 1 3 ARG H . 3 . HN 1 1 68 1 2 1 1 3 ARG QG . 3 . HG* 1 1 69 1 1 1 1 3 ARG H . 3 . HN 1 1 69 1 2 1 1 4 ALA H . 4 . HN 1 1 70 1 1 1 1 3 ARG H . 3 . HN 1 1 70 1 2 1 1 5 CYS H . 5 . HN 1 1 71 1 1 1 1 3 ARG QB . 3 . HB* 1 1 71 1 2 1 1 5 CYS QB . 5 . HB* 1 1 72 1 1 1 1 3 ARG HB2 . 3 . HB2 1 1 72 1 2 1 1 4 ALA H . 4 . HN 1 1 73 1 1 1 1 3 ARG HB2 . 3 . HB2 1 1 73 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 74 1 1 1 1 3 ARG HB2 . 3 . HB2 1 1 74 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 75 1 1 1 1 3 ARG HB3 . 3 . HB1 1 1 75 1 2 1 1 4 ALA H . 4 . HN 1 1 76 1 1 1 1 3 ARG HB3 . 3 . HB1 1 1 76 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 77 1 1 1 1 3 ARG HB3 . 3 . HB1 1 1 77 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 78 1 1 1 1 3 ARG QG . 3 . HG* 1 1 78 1 2 1 1 4 ALA H . 4 . HN 1 1 79 1 1 1 1 4 ALA H . 4 . HN 1 1 79 1 2 1 1 5 CYS H . 5 . HN 1 1 80 1 1 1 1 4 ALA HA . 4 . HA 1 1 80 1 2 1 1 5 CYS H . 5 . HN 1 1 81 1 1 1 1 5 CYS H . 5 . HN 1 1 81 1 2 1 1 5 CYS HA . 5 . HA 1 1 82 1 1 1 1 5 CYS H . 5 . HN 1 1 82 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 83 1 1 1 1 5 CYS H . 5 . HN 1 1 83 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 84 1 1 1 1 5 CYS H . 5 . HN 1 1 84 1 2 1 1 11 ARG QB . 11 . HB* 1 1 85 1 1 1 1 5 CYS HA . 5 . HA 1 1 85 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 86 1 1 1 1 5 CYS QB . 5 . HB* 1 1 86 1 2 1 1 7 LEU H . 7 . HN 1 1 87 1 1 1 1 5 CYS QB . 5 . HB* 1 1 87 1 2 1 1 11 ARG H . 11 . HN 1 1 88 1 1 1 1 5 CYS QB . 5 . HB* 1 1 88 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 89 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 89 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 90 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 90 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 91 1 1 1 1 6 SER H . 6 . HN 1 1 91 1 2 1 1 7 LEU H . 7 . HN 1 1 92 1 1 1 1 6 SER HA . 6 . HA 1 1 92 1 2 1 1 7 LEU H . 7 . HN 1 1 93 1 1 1 1 6 SER HB2 . 6 . HB2 1 1 93 1 2 1 1 7 LEU H . 7 . HN 1 1 94 1 1 1 1 6 SER HB3 . 6 . HB1 1 1 94 1 2 1 1 7 LEU H . 7 . HN 1 1 95 1 1 1 1 7 LEU H . 7 . HN 1 1 95 1 2 1 1 7 LEU HB2 . 7 . HB2 1 1 96 1 1 1 1 7 LEU H . 7 . HN 1 1 96 1 2 1 1 7 LEU QB . 7 . HB* 1 1 97 1 1 1 1 7 LEU H . 7 . HN 1 1 97 1 2 1 1 7 LEU HB3 . 7 . HB1 1 1 98 1 1 1 1 7 LEU H . 7 . HN 1 1 98 1 2 1 1 7 LEU MD1 . 7 . HD1* 1 1 99 1 1 1 1 7 LEU H . 7 . HN 1 1 99 1 2 1 1 7 LEU MD2 . 7 . HD2* 1 1 100 1 1 1 1 7 LEU H . 7 . HN 1 1 100 1 2 1 1 7 LEU HG . 7 . HG 1 1 101 1 1 1 1 7 LEU H . 7 . HN 1 1 101 1 2 1 1 9 HIS QB . 9 . HB* 1 1 102 1 1 1 1 7 LEU HA . 7 . HA 1 1 102 1 2 1 1 7 LEU HG . 7 . HG 1 1 103 1 1 1 1 7 LEU HA . 7 . HA 1 1 103 1 2 1 1 8 PRO QD . 8 . HD* 1 1 104 1 1 1 1 7 LEU QB . 7 . HB* 1 1 104 1 2 1 1 9 HIS QB . 9 . HB* 1 1 105 1 1 1 1 7 LEU HB2 . 7 . HB2 1 1 105 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1 106 1 1 1 1 7 LEU HB2 . 7 . HB2 1 1 106 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1 107 1 1 1 1 7 LEU HB3 . 7 . HB1 1 1 107 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1 108 1 1 1 1 7 LEU HB3 . 7 . HB1 1 1 108 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1 109 1 1 1 1 7 LEU QD . 7 . HD* 1 1 109 1 2 1 1 8 PRO QD . 8 . HD* 1 1 110 1 1 1 1 7 LEU QD . 7 . HD* 1 1 110 1 2 1 1 9 HIS QB . 9 . HB* 1 1 111 1 1 1 1 7 LEU QD . 7 . HD* 1 1 111 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 112 1 1 1 1 7 LEU QD . 7 . HD* 1 1 112 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 113 1 1 1 1 7 LEU MD1 . 7 . HD1* 1 1 113 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 114 1 1 1 1 7 LEU MD1 . 7 . HD1* 1 1 114 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1 115 1 1 1 1 7 LEU MD1 . 7 . HD1* 1 1 115 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1 116 1 1 1 1 7 LEU MD1 . 7 . HD1* 1 1 116 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1 117 1 1 1 1 7 LEU MD1 . 7 . HD1* 1 1 117 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 118 1 1 1 1 7 LEU MD2 . 7 . HD2* 1 1 118 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 119 1 1 1 1 7 LEU MD2 . 7 . HD2* 1 1 119 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1 120 1 1 1 1 7 LEU MD2 . 7 . HD2* 1 1 120 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1 121 1 1 1 1 7 LEU MD2 . 7 . HD2* 1 1 121 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1 122 1 1 1 1 7 LEU MD2 . 7 . HD2* 1 1 122 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 123 1 1 1 1 9 HIS H . 9 . HN 1 1 123 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1 124 1 1 1 1 9 HIS H . 9 . HN 1 1 124 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1 125 1 1 1 1 9 HIS H . 9 . HN 1 1 125 1 2 1 1 11 ARG H . 11 . HN 1 1 126 1 1 1 1 9 HIS HA . 9 . HA 1 1 126 1 2 1 1 11 ARG H . 11 . HN 1 1 127 1 1 1 1 9 HIS QB . 9 . HB* 1 1 127 1 2 1 1 11 ARG H . 11 . HN 1 1 128 1 1 1 1 9 HIS QB . 9 . HB* 1 1 128 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 129 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 129 1 2 1 1 10 CYS HA . 10 . HA 1 1 130 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 130 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 131 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 131 1 2 1 1 10 CYS QB . 10 . HB* 1 1 132 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 132 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 133 1 1 1 1 10 CYS HA . 10 . HA 1 1 133 1 2 1 1 12 THR H . 12 . HN 1 1 134 1 1 1 1 11 ARG QB . 11 . HB* 1 1 134 1 2 1 1 12 THR MG . 12 . HG2* 1 1 135 1 1 1 1 11 ARG QG . 11 . HG* 1 1 135 1 2 1 1 12 THR H . 12 . HN 1 1 136 1 1 1 1 12 THR H . 12 . HN 1 1 136 1 2 1 1 12 THR HB . 12 . HB 1 1 137 1 1 1 1 12 THR H . 12 . HN 1 1 137 1 2 1 1 12 THR MG . 12 . HG2* 1 1 138 1 1 1 1 12 THR H . 12 . HN 1 1 138 1 2 1 1 13 MET H . 13 . HN 1 1 139 1 1 1 1 12 THR HB . 12 . HB 1 1 139 1 2 1 1 13 MET H . 13 . HN 1 1 140 1 1 1 1 12 THR HB . 12 . HB 1 1 140 1 2 1 1 14 LYS H . 14 . HN 1 1 141 1 1 1 1 12 THR HB . 12 . HB 1 1 141 1 2 1 1 15 ASN H . 15 . HN 1 1 142 1 1 1 1 12 THR MG . 12 . HG2* 1 1 142 1 2 1 1 13 MET H . 13 . HN 1 1 143 1 1 1 1 12 THR MG . 12 . HG2* 1 1 143 1 2 1 1 13 MET HA . 13 . HA 1 1 144 1 1 1 1 13 MET H . 13 . HN 1 1 144 1 2 1 1 13 MET HB2 . 13 . HB2 1 1 145 1 1 1 1 13 MET H . 13 . HN 1 1 145 1 2 1 1 13 MET QB . 13 . HB* 1 1 146 1 1 1 1 13 MET H . 13 . HN 1 1 146 1 2 1 1 13 MET HB3 . 13 . HB1 1 1 147 1 1 1 1 13 MET H . 13 . HN 1 1 147 1 2 1 1 13 MET HG2 . 13 . HG2 1 1 148 1 1 1 1 13 MET H . 13 . HN 1 1 148 1 2 1 1 13 MET HG3 . 13 . HG1 1 1 149 1 1 1 1 13 MET H . 13 . HN 1 1 149 1 2 1 1 14 LYS H . 14 . HN 1 1 150 1 1 1 1 13 MET HA . 13 . HA 1 1 150 1 2 1 1 14 LYS H . 14 . HN 1 1 151 1 1 1 1 13 MET QB . 13 . HB* 1 1 151 1 2 1 1 15 ASN H . 15 . HN 1 1 152 1 1 1 1 13 MET HB2 . 13 . HB2 1 1 152 1 2 1 1 14 LYS H . 14 . HN 1 1 153 1 1 1 1 13 MET HB3 . 13 . HB1 1 1 153 1 2 1 1 14 LYS H . 14 . HN 1 1 154 1 1 1 1 13 MET QG . 13 . HG* 1 1 154 1 2 1 1 14 LYS H . 14 . HN 1 1 155 1 1 1 1 14 LYS H . 14 . HN 1 1 155 1 2 1 1 14 LYS HA . 14 . HA 1 1 156 1 1 1 1 14 LYS H . 14 . HN 1 1 156 1 2 1 1 14 LYS QB . 14 . HB* 1 1 157 1 1 1 1 14 LYS H . 14 . HN 1 1 157 1 2 1 1 14 LYS QE . 14 . HE* 1 1 158 1 1 1 1 14 LYS H . 14 . HN 1 1 158 1 2 1 1 14 LYS HG2 . 14 . HG2 1 1 159 1 1 1 1 14 LYS H . 14 . HN 1 1 159 1 2 1 1 14 LYS QG . 14 . HG* 1 1 160 1 1 1 1 14 LYS H . 14 . HN 1 1 160 1 2 1 1 14 LYS HG3 . 14 . HG1 1 1 161 1 1 1 1 14 LYS H . 14 . HN 1 1 161 1 2 1 1 15 ASN H . 15 . HN 1 1 162 1 1 1 1 14 LYS HA . 14 . HA 1 1 162 1 2 1 1 14 LYS HG2 . 14 . HG2 1 1 163 1 1 1 1 14 LYS HA . 14 . HA 1 1 163 1 2 1 1 14 LYS QG . 14 . HG* 1 1 164 1 1 1 1 14 LYS HA . 14 . HA 1 1 164 1 2 1 1 14 LYS HG3 . 14 . HG1 1 1 165 1 1 1 1 14 LYS HA . 14 . HA 1 1 165 1 2 1 1 15 ASN H . 15 . HN 1 1 166 1 1 1 1 14 LYS QB . 14 . HB* 1 1 166 1 2 1 1 15 ASN H . 15 . HN 1 1 167 1 1 1 1 15 ASN H . 15 . HN 1 1 167 1 2 1 1 15 ASN HB2 . 15 . HB2 1 1 168 1 1 1 1 15 ASN H . 15 . HN 1 1 168 1 2 1 1 15 ASN HB3 . 15 . HB1 1 1 169 1 1 1 1 15 ASN H . 15 . HN 1 1 169 1 2 1 1 16 VAL H . 16 . HN 1 1 170 1 1 1 1 15 ASN HA . 15 . HA 1 1 170 1 2 1 1 15 ASN HD22 . 15 . HD22 1 1 171 1 1 1 1 15 ASN HA . 15 . HA 1 1 171 1 2 1 1 16 VAL H . 16 . HN 1 1 172 1 1 1 1 15 ASN HA . 15 . HA 1 1 172 1 2 1 1 16 VAL MG1 . 16 . HG1* 1 1 173 1 1 1 1 15 ASN HA . 15 . HA 1 1 173 1 2 1 1 16 VAL MG2 . 16 . HG2* 1 1 174 1 1 1 1 15 ASN HA . 15 . HA 1 1 174 1 2 1 1 17 LEU H . 17 . HN 1 1 175 1 1 1 1 15 ASN QB . 15 . HB* 1 1 175 1 2 1 1 18 ASN H . 18 . HN 1 1 176 1 1 1 1 15 ASN QB . 15 . HB* 1 1 176 1 2 1 1 18 ASN QD . 18 . HD2* 1 1 177 1 1 1 1 15 ASN HB2 . 15 . HB2 1 1 177 1 2 1 1 18 ASN H . 18 . HN 1 1 178 1 1 1 1 15 ASN HB2 . 15 . HB2 1 1 178 1 2 1 1 18 ASN HD21 . 18 . HD21 1 1 179 1 1 1 1 15 ASN HB2 . 15 . HB2 1 1 179 1 2 1 1 18 ASN HD22 . 18 . HD22 1 1 180 1 1 1 1 15 ASN HB3 . 15 . HB1 1 1 180 1 2 1 1 18 ASN H . 18 . HN 1 1 181 1 1 1 1 15 ASN HB3 . 15 . HB1 1 1 181 1 2 1 1 18 ASN HD21 . 18 . HD21 1 1 182 1 1 1 1 15 ASN HB3 . 15 . HB1 1 1 182 1 2 1 1 18 ASN HD22 . 18 . HD22 1 1 183 1 1 1 1 15 ASN QD . 15 . HD2* 1 1 183 1 2 1 1 18 ASN HB3 . 18 . HB1 1 1 184 1 1 1 1 16 VAL H . 16 . HN 1 1 184 1 2 1 1 16 VAL HB . 16 . HB 1 1 185 1 1 1 1 16 VAL H . 16 . HN 1 1 185 1 2 1 1 16 VAL MG2 . 16 . HG2* 1 1 186 1 1 1 1 16 VAL H . 16 . HN 1 1 186 1 2 1 1 17 LEU H . 17 . HN 1 1 187 1 1 1 1 16 VAL HA . 16 . HA 1 1 187 1 2 1 1 16 VAL HB . 16 . HB 1 1 188 1 1 1 1 16 VAL HA . 16 . HA 1 1 188 1 2 1 1 17 LEU H . 17 . HN 1 1 189 1 1 1 1 16 VAL HA . 16 . HA 1 1 189 1 2 1 1 18 ASN H . 18 . HN 1 1 190 1 1 1 1 16 VAL HA . 16 . HA 1 1 190 1 2 1 1 19 HIS H . 19 . HN 1 1 191 1 1 1 1 16 VAL HA . 16 . HA 1 1 191 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 192 1 1 1 1 16 VAL HA . 16 . HA 1 1 192 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 193 1 1 1 1 16 VAL HA . 16 . HA 1 1 193 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 194 1 1 1 1 16 VAL HA . 16 . HA 1 1 194 1 2 1 1 20 MET H . 20 . HN 1 1 195 1 1 1 1 16 VAL HB . 16 . HB 1 1 195 1 2 1 1 17 LEU H . 17 . HN 1 1 196 1 1 1 1 16 VAL HB . 16 . HB 1 1 196 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 197 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 197 1 2 1 1 17 LEU H . 17 . HN 1 1 198 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 198 1 2 1 1 17 LEU HA . 17 . HA 1 1 199 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 199 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 200 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 200 1 2 1 1 20 MET H . 20 . HN 1 1 201 1 1 1 1 16 VAL MG2 . 16 . HG2* 1 1 201 1 2 1 1 17 LEU H . 17 . HN 1 1 202 1 1 1 1 16 VAL MG2 . 16 . HG2* 1 1 202 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 203 1 1 1 1 17 LEU H . 17 . HN 1 1 203 1 2 1 1 17 LEU HA . 17 . HA 1 1 204 1 1 1 1 17 LEU H . 17 . HN 1 1 204 1 2 1 1 17 LEU HB2 . 17 . HB2 1 1 205 1 1 1 1 17 LEU H . 17 . HN 1 1 205 1 2 1 1 17 LEU QB . 17 . HB* 1 1 206 1 1 1 1 17 LEU H . 17 . HN 1 1 206 1 2 1 1 17 LEU HB3 . 17 . HB1 1 1 207 1 1 1 1 17 LEU H . 17 . HN 1 1 207 1 2 1 1 17 LEU HG . 17 . HG 1 1 208 1 1 1 1 17 LEU H . 17 . HN 1 1 208 1 2 1 1 18 ASN H . 18 . HN 1 1 209 1 1 1 1 17 LEU HA . 17 . HA 1 1 209 1 2 1 1 17 LEU MD1 . 17 . HD1* 1 1 210 1 1 1 1 17 LEU HA . 17 . HA 1 1 210 1 2 1 1 17 LEU QD . 17 . HD* 1 1 211 1 1 1 1 17 LEU HA . 17 . HA 1 1 211 1 2 1 1 17 LEU MD2 . 17 . HD2* 1 1 212 1 1 1 1 17 LEU HA . 17 . HA 1 1 212 1 2 1 1 18 ASN H . 18 . HN 1 1 213 1 1 1 1 17 LEU HA . 17 . HA 1 1 213 1 2 1 1 20 MET H . 20 . HN 1 1 214 1 1 1 1 17 LEU QB . 17 . HB* 1 1 214 1 2 1 1 18 ASN H . 18 . HN 1 1 215 1 1 1 1 17 LEU HB2 . 17 . HB2 1 1 215 1 2 1 1 18 ASN H . 18 . HN 1 1 216 1 1 1 1 17 LEU HB3 . 17 . HB1 1 1 216 1 2 1 1 18 ASN H . 18 . HN 1 1 217 1 1 1 1 17 LEU MD1 . 17 . HD1* 1 1 217 1 2 1 1 18 ASN H . 18 . HN 1 1 218 1 1 1 1 17 LEU MD2 . 17 . HD2* 1 1 218 1 2 1 1 18 ASN H . 18 . HN 1 1 219 1 1 1 1 17 LEU HG . 17 . HG 1 1 219 1 2 1 1 18 ASN H . 18 . HN 1 1 220 1 1 1 1 18 ASN H . 18 . HN 1 1 220 1 2 1 1 18 ASN HB2 . 18 . HB2 1 1 221 1 1 1 1 18 ASN H . 18 . HN 1 1 221 1 2 1 1 18 ASN HB3 . 18 . HB1 1 1 222 1 1 1 1 18 ASN H . 18 . HN 1 1 222 1 2 1 1 19 HIS H . 19 . HN 1 1 223 1 1 1 1 18 ASN HA . 18 . HA 1 1 223 1 2 1 1 19 HIS H . 19 . HN 1 1 224 1 1 1 1 18 ASN HA . 18 . HA 1 1 224 1 2 1 1 20 MET H . 20 . HN 1 1 225 1 1 1 1 18 ASN HA . 18 . HA 1 1 225 1 2 1 1 21 THR H . 21 . HN 1 1 226 1 1 1 1 18 ASN HB2 . 18 . HB2 1 1 226 1 2 1 1 19 HIS H . 19 . HN 1 1 227 1 1 1 1 18 ASN HB2 . 18 . HB2 1 1 227 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 228 1 1 1 1 18 ASN HB3 . 18 . HB1 1 1 228 1 2 1 1 19 HIS H . 19 . HN 1 1 229 1 1 1 1 19 HIS HA . 19 . HA 1 1 229 1 2 1 1 22 HIS H . 22 . HN 1 1 230 1 1 1 1 19 HIS QB . 19 . HB* 1 1 230 1 2 1 1 20 MET H . 20 . HN 1 1 231 1 1 1 1 19 HIS HB2 . 19 . HB2 1 1 231 1 2 1 1 20 MET H . 20 . HN 1 1 232 1 1 1 1 19 HIS HB2 . 19 . HB2 1 1 232 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 233 1 1 1 1 19 HIS HB3 . 19 . HB1 1 1 233 1 2 1 1 20 MET H . 20 . HN 1 1 234 1 1 1 1 19 HIS HB3 . 19 . HB1 1 1 234 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 235 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 235 1 2 1 1 20 MET H . 20 . HN 1 1 236 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 236 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 237 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 237 1 2 1 1 23 CYS HA . 23 . HA 1 1 238 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 238 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 239 1 1 1 1 20 MET H . 20 . HN 1 1 239 1 2 1 1 20 MET HG2 . 20 . HG2 1 1 240 1 1 1 1 20 MET H . 20 . HN 1 1 240 1 2 1 1 20 MET QG . 20 . HG* 1 1 241 1 1 1 1 20 MET H . 20 . HN 1 1 241 1 2 1 1 20 MET HG3 . 20 . HG1 1 1 242 1 1 1 1 20 MET H . 20 . HN 1 1 242 1 2 1 1 21 THR H . 21 . HN 1 1 243 1 1 1 1 20 MET HA . 20 . HA 1 1 243 1 2 1 1 22 HIS H . 22 . HN 1 1 244 1 1 1 1 20 MET QB . 20 . HB* 1 1 244 1 2 1 1 22 HIS H . 22 . HN 1 1 245 1 1 1 1 21 THR H . 21 . HN 1 1 245 1 2 1 1 21 THR HA . 21 . HA 1 1 246 1 1 1 1 21 THR H . 21 . HN 1 1 246 1 2 1 1 21 THR HB . 21 . HB 1 1 247 1 1 1 1 21 THR H . 21 . HN 1 1 247 1 2 1 1 21 THR MG . 21 . HG2* 1 1 248 1 1 1 1 21 THR HA . 21 . HA 1 1 248 1 2 1 1 22 HIS H . 22 . HN 1 1 249 1 1 1 1 21 THR HB . 21 . HB 1 1 249 1 2 1 1 22 HIS H . 22 . HN 1 1 250 1 1 1 1 21 THR MG . 21 . HG2* 1 1 250 1 2 1 1 22 HIS H . 22 . HN 1 1 251 1 1 1 1 22 HIS H . 22 . HN 1 1 251 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 252 1 1 1 1 22 HIS QB . 22 . HB* 1 1 252 1 2 1 1 23 CYS H . 23 . HN 1 1 253 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 253 1 2 1 1 23 CYS H . 23 . HN 1 1 254 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 254 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 255 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 255 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 256 1 1 1 1 23 CYS H . 23 . HN 1 1 256 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 257 1 1 1 1 23 CYS H . 23 . HN 1 1 257 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 258 1 1 1 1 23 CYS HA . 23 . HA 1 1 258 1 2 1 1 24 GLN QE . 24 . HE2* 1 1 259 1 1 1 1 24 GLN HA . 24 . HA 1 1 259 1 2 1 1 25 ALA H . 25 . HN 1 1 260 1 1 1 1 24 GLN HB2 . 24 . HB2 1 1 260 1 2 1 1 25 ALA H . 25 . HN 1 1 261 1 1 1 1 24 GLN HB3 . 24 . HB1 1 1 261 1 2 1 1 25 ALA H . 25 . HN 1 1 262 1 1 1 1 24 GLN QG . 24 . HG* 1 1 262 1 2 1 1 25 ALA H . 25 . HN 1 1 263 1 1 1 1 25 ALA HA . 25 . HA 1 1 263 1 2 1 1 26 GLY H . 26 . HN 1 1 264 1 1 1 1 26 GLY H . 26 . HN 1 1 264 1 2 1 1 27 LYS H . 27 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 0.0 0.0 2.86 1 1 2 1 . . . . . 0.0 0.0 4.35 1 1 3 1 . . . . . 0.0 0.0 7.44 1 1 4 1 . . . . . 0.0 0.0 5.23 1 1 5 1 . . . . . 0.0 0.0 6.42 1 1 6 1 . . . . . 0.0 0.0 5.95 1 1 7 1 . . . . . 0.0 0.0 6.22 1 1 8 1 . . . . . 0.0 0.0 6.36 1 1 9 1 . . . . . 0.0 0.0 2.74 1 1 10 1 . . . . . 0.0 0.0 4.23 1 1 11 1 . . . . . 0.0 0.0 3.52 1 1 12 1 . . . . . 0.0 0.0 4.54 1 1 13 1 . . . . . 0.0 0.0 6.53 1 1 14 1 . . . . . 0.0 0.0 6.53 1 1 15 1 . . . . . 0.0 0.0 6.88 1 1 16 1 . . . . . 0.0 0.0 3.7 1 1 17 1 . . . . . 0.0 0.0 2.71 1 1 18 1 . . . . . 0.0 0.0 3.36 1 1 19 1 . . . . . 0.0 0.0 3.74 1 1 20 1 . . . . . 0.0 0.0 3.48 1 1 21 1 . . . . . 0.0 0.0 3.74 1 1 22 1 . . . . . 0.0 0.0 5.19 1 1 23 1 . . . . . 0.0 0.0 3.98 1 1 24 1 . . . . . 0.0 0.0 5.5 1 1 25 1 . . . . . 0.0 0.0 4.04 1 1 26 1 . . . . . 0.0 0.0 3.76 1 1 27 1 . . . . . 0.0 0.0 4.23 1 1 28 1 . . . . . 0.0 0.0 4.85 1 1 29 1 . . . . . 0.0 0.0 7.91 1 1 30 1 . . . . . 0.0 0.0 6.81 1 1 31 1 . . . . . 0.0 0.0 6.32 1 1 32 1 . . . . . 0.0 0.0 6.81 1 1 33 1 . . . . . 0.0 0.0 6.38 1 1 34 1 . . . . . 0.0 0.0 6.53 1 1 35 1 . . . . . 0.0 0.0 4.57 1 1 36 1 . . . . . 0.0 0.0 6.53 1 1 37 1 . . . . . 0.0 0.0 5.54 1 1 38 1 . . . . . 0.0 0.0 4.85 1 1 39 1 . . . . . 0.0 0.0 6.9 1 1 40 1 . . . . . 0.0 0.0 6.53 1 1 41 1 . . . . . 0.0 0.0 7.03 1 1 42 1 . . . . . 0.0 0.0 7.03 1 1 43 1 . . . . . 0.0 0.0 6.19 1 1 44 1 . . . . . 0.0 0.0 6.53 1 1 45 1 . . . . . 0.0 0.0 4.79 1 1 46 1 . . . . . 0.0 0.0 6.53 1 1 47 1 . . . . . 0.0 0.0 7.69 1 1 48 1 . . . . . 0.0 0.0 7.03 1 1 49 1 . . . . . 0.0 0.0 6.25 1 1 50 1 . . . . . 0.0 0.0 7.03 1 1 51 1 . . . . . 0.0 0.0 4.92 1 1 52 1 . . . . . 0.0 0.0 4.02 1 1 53 1 . . . . . 0.0 0.0 5.75 1 1 54 1 . . . . . 0.0 0.0 4.98 1 1 55 1 . . . . . 0.0 0.0 6.53 1 1 56 1 . . . . . 0.0 0.0 7.56 1 1 57 1 . . . . . 0.0 0.0 5.44 1 1 58 1 . . . . . 0.0 0.0 6.53 1 1 59 1 . . . . . 0.0 0.0 5.6 1 1 60 1 . . . . . 0.0 0.0 5.46 1 1 61 1 . . . . . 0.0 0.0 5.6 1 1 62 1 . . . . . 0.0 0.0 5.6 1 1 63 1 . . . . . 0.0 0.0 6.53 1 1 64 1 . . . . . 0.0 0.0 6.53 1 1 65 1 . . . . . 0.0 0.0 3.52 1 1 66 1 . . . . . 0.0 0.0 3.52 1 1 67 1 . . . . . 0.0 0.0 6.22 1 1 68 1 . . . . . 0.0 0.0 4.55 1 1 69 1 . . . . . 0.0 0.0 2.9 1 1 70 1 . . . . . 0.0 0.0 4.14 1 1 71 1 . . . . . 0.0 0.0 6.82 1 1 72 1 . . . . . 0.0 0.0 5.63 1 1 73 1 . . . . . 0.0 0.0 7.75 1 1 74 1 . . . . . 0.0 0.0 7.75 1 1 75 1 . . . . . 0.0 0.0 5.63 1 1 76 1 . . . . . 0.0 0.0 7.75 1 1 77 1 . . . . . 0.0 0.0 7.75 1 1 78 1 . . . . . 0.0 0.0 5.79 1 1 79 1 . . . . . 0.0 0.0 2.55 1 1 80 1 . . . . . 0.0 0.0 3.21 1 1 81 1 . . . . . 0.0 0.0 2.83 1 1 82 1 . . . . . 0.0 0.0 3.3 1 1 83 1 . . . . . 0.0 0.0 3.3 1 1 84 1 . . . . . 0.0 0.0 6.38 1 1 85 1 . . . . . 0.0 0.0 3.33 1 1 86 1 . . . . . 0.0 0.0 5.49 1 1 87 1 . . . . . 0.0 0.0 6.88 1 1 88 1 . . . . . 0.0 0.0 3.65 1 1 89 1 . . . . . 0.0 0.0 4.08 1 1 90 1 . . . . . 0.0 0.0 4.08 1 1 91 1 . . . . . 0.0 0.0 3.39 1 1 92 1 . . . . . 0.0 0.0 3.58 1 1 93 1 . . . . . 0.0 0.0 4.88 1 1 94 1 . . . . . 0.0 0.0 4.88 1 1 95 1 . . . . . 0.0 0.0 3.67 1 1 96 1 . . . . . 0.0 0.0 3.39 1 1 97 1 . . . . . 0.0 0.0 3.67 1 1 98 1 . . . . . 0.0 0.0 5.16 1 1 99 1 . . . . . 0.0 0.0 5.16 1 1 100 1 . . . . . 0.0 0.0 2.93 1 1 101 1 . . . . . 0.0 0.0 6.17 1 1 102 1 . . . . . 0.0 0.0 3.83 1 1 103 1 . . . . . 0.0 0.0 3.74 1 1 104 1 . . . . . 0.0 0.0 4.45 1 1 105 1 . . . . . 0.0 0.0 4.88 1 1 106 1 . . . . . 0.0 0.0 4.88 1 1 107 1 . . . . . 0.0 0.0 4.88 1 1 108 1 . . . . . 0.0 0.0 4.88 1 1 109 1 . . . . . 0.0 0.0 6.13 1 1 110 1 . . . . . 0.0 0.0 7.05 1 1 111 1 . . . . . 0.0 0.0 6.86 1 1 112 1 . . . . . 0.0 0.0 5.36 1 1 113 1 . . . . . 0.0 0.0 8.28 1 1 114 1 . . . . . 0.0 0.0 8.28 1 1 115 1 . . . . . 0.0 0.0 8.78 1 1 116 1 . . . . . 0.0 0.0 8.78 1 1 117 1 . . . . . 0.0 0.0 6.53 1 1 118 1 . . . . . 0.0 0.0 8.28 1 1 119 1 . . . . . 0.0 0.0 8.28 1 1 120 1 . . . . . 0.0 0.0 8.78 1 1 121 1 . . . . . 0.0 0.0 8.78 1 1 122 1 . . . . . 0.0 0.0 6.53 1 1 123 1 . . . . . 0.0 0.0 3.83 1 1 124 1 . . . . . 0.0 0.0 3.83 1 1 125 1 . . . . . 0.0 0.0 3.58 1 1 126 1 . . . . . 0.0 0.0 4.69 1 1 127 1 . . . . . 0.0 0.0 4.83 1 1 128 1 . . . . . 0.0 0.0 6.88 1 1 129 1 . . . . . 0.0 0.0 5.5 1 1 130 1 . . . . . 0.0 0.0 5.6 1 1 131 1 . . . . . 0.0 0.0 5.05 1 1 132 1 . . . . . 0.0 0.0 5.6 1 1 133 1 . . . . . 0.0 0.0 4.51 1 1 134 1 . . . . . 0.0 0.0 7.91 1 1 135 1 . . . . . 0.0 0.0 6.38 1 1 136 1 . . . . . 0.0 0.0 2.86 1 1 137 1 . . . . . 0.0 0.0 4.42 1 1 138 1 . . . . . 0.0 0.0 3.11 1 1 139 1 . . . . . 0.0 0.0 3.02 1 1 140 1 . . . . . 0.0 0.0 3.55 1 1 141 1 . . . . . 0.0 0.0 4.2 1 1 142 1 . . . . . 0.0 0.0 5.44 1 1 143 1 . . . . . 0.0 0.0 5.07 1 1 144 1 . . . . . 0.0 0.0 4.14 1 1 145 1 . . . . . 0.0 0.0 3.7 1 1 146 1 . . . . . 0.0 0.0 4.14 1 1 147 1 . . . . . 0.0 0.0 4.07 1 1 148 1 . . . . . 0.0 0.0 4.07 1 1 149 1 . . . . . 0.0 0.0 3.27 1 1 150 1 . . . . . 0.0 0.0 3.48 1 1 151 1 . . . . . 0.0 0.0 5.55 1 1 152 1 . . . . . 0.0 0.0 5.41 1 1 153 1 . . . . . 0.0 0.0 5.41 1 1 154 1 . . . . . 0.0 0.0 6.38 1 1 155 1 . . . . . 0.0 0.0 2.52 1 1 156 1 . . . . . 0.0 0.0 3.82 1 1 157 1 . . . . . 0.0 0.0 6.38 1 1 158 1 . . . . . 0.0 0.0 5.0 1 1 159 1 . . . . . 0.0 0.0 4.51 1 1 160 1 . . . . . 0.0 0.0 5.0 1 1 161 1 . . . . . 0.0 0.0 3.14 1 1 162 1 . . . . . 0.0 0.0 4.23 1 1 163 1 . . . . . 0.0 0.0 3.82 1 1 164 1 . . . . . 0.0 0.0 4.23 1 1 165 1 . . . . . 0.0 0.0 3.17 1 1 166 1 . . . . . 0.0 0.0 6.14 1 1 167 1 . . . . . 0.0 0.0 3.43 1 1 168 1 . . . . . 0.0 0.0 3.43 1 1 169 1 . . . . . 0.0 0.0 3.89 1 1 170 1 . . . . . 0.0 0.0 5.22 1 1 171 1 . . . . . 0.0 0.0 2.65 1 1 172 1 . . . . . 0.0 0.0 6.53 1 1 173 1 . . . . . 0.0 0.0 5.26 1 1 174 1 . . . . . 0.0 0.0 4.14 1 1 175 1 . . . . . 0.0 0.0 4.86 1 1 176 1 . . . . . 0.0 0.0 6.81 1 1 177 1 . . . . . 0.0 0.0 5.22 1 1 178 1 . . . . . 0.0 0.0 7.73 1 1 179 1 . . . . . 0.0 0.0 7.73 1 1 180 1 . . . . . 0.0 0.0 5.22 1 1 181 1 . . . . . 0.0 0.0 7.73 1 1 182 1 . . . . . 0.0 0.0 7.73 1 1 183 1 . . . . . 0.0 0.0 6.87 1 1 184 1 . . . . . 0.0 0.0 3.11 1 1 185 1 . . . . . 0.0 0.0 4.42 1 1 186 1 . . . . . 0.0 0.0 3.39 1 1 187 1 . . . . . 0.0 0.0 2.96 1 1 188 1 . . . . . 0.0 0.0 3.64 1 1 189 1 . . . . . 0.0 0.0 5.5 1 1 190 1 . . . . . 0.0 0.0 3.39 1 1 191 1 . . . . . 0.0 0.0 3.8 1 1 192 1 . . . . . 0.0 0.0 3.8 1 1 193 1 . . . . . 0.0 0.0 4.94 1 1 194 1 . . . . . 0.0 0.0 3.98 1 1 195 1 . . . . . 0.0 0.0 2.9 1 1 196 1 . . . . . 0.0 0.0 5.5 1 1 197 1 . . . . . 0.0 0.0 5.07 1 1 198 1 . . . . . 0.0 0.0 5.63 1 1 199 1 . . . . . 0.0 0.0 6.53 1 1 200 1 . . . . . 0.0 0.0 6.53 1 1 201 1 . . . . . 0.0 0.0 4.98 1 1 202 1 . . . . . 0.0 0.0 6.53 1 1 203 1 . . . . . 0.0 0.0 2.86 1 1 204 1 . . . . . 0.0 0.0 3.55 1 1 205 1 . . . . . 0.0 0.0 3.3 1 1 206 1 . . . . . 0.0 0.0 3.55 1 1 207 1 . . . . . 0.0 0.0 3.27 1 1 208 1 . . . . . 0.0 0.0 2.8 1 1 209 1 . . . . . 0.0 0.0 4.39 1 1 210 1 . . . . . 0.0 0.0 3.92 1 1 211 1 . . . . . 0.0 0.0 4.39 1 1 212 1 . . . . . 0.0 0.0 3.36 1 1 213 1 . . . . . 0.0 0.0 4.01 1 1 214 1 . . . . . 0.0 0.0 4.66 1 1 215 1 . . . . . 0.0 0.0 5.5 1 1 216 1 . . . . . 0.0 0.0 5.5 1 1 217 1 . . . . . 0.0 0.0 6.0 1 1 218 1 . . . . . 0.0 0.0 6.0 1 1 219 1 . . . . . 0.0 0.0 5.0 1 1 220 1 . . . . . 0.0 0.0 3.64 1 1 221 1 . . . . . 0.0 0.0 3.21 1 1 222 1 . . . . . 0.0 0.0 2.86 1 1 223 1 . . . . . 0.0 0.0 3.45 1 1 224 1 . . . . . 0.0 0.0 5.28 1 1 225 1 . . . . . 0.0 0.0 4.17 1 1 226 1 . . . . . 0.0 0.0 3.8 1 1 227 1 . . . . . 0.0 0.0 6.0 1 1 228 1 . . . . . 0.0 0.0 3.55 1 1 229 1 . . . . . 0.0 0.0 4.2 1 1 230 1 . . . . . 0.0 0.0 4.11 1 1 231 1 . . . . . 0.0 0.0 4.29 1 1 232 1 . . . . . 0.0 0.0 6.0 1 1 233 1 . . . . . 0.0 0.0 4.29 1 1 234 1 . . . . . 0.0 0.0 6.0 1 1 235 1 . . . . . 0.0 0.0 4.26 1 1 236 1 . . . . . 0.0 0.0 4.51 1 1 237 1 . . . . . 0.0 0.0 4.6 1 1 238 1 . . . . . 0.0 0.0 6.0 1 1 239 1 . . . . . 0.0 0.0 4.6 1 1 240 1 . . . . . 0.0 0.0 4.24 1 1 241 1 . . . . . 0.0 0.0 4.6 1 1 242 1 . . . . . 0.0 0.0 3.05 1 1 243 1 . . . . . 0.0 0.0 3.67 1 1 244 1 . . . . . 0.0 0.0 5.17 1 1 245 1 . . . . . 0.0 0.0 2.8 1 1 246 1 . . . . . 0.0 0.0 3.08 1 1 247 1 . . . . . 0.0 0.0 3.89 1 1 248 1 . . . . . 0.0 0.0 3.42 1 1 249 1 . . . . . 0.0 0.0 3.73 1 1 250 1 . . . . . 0.0 0.0 6.22 1 1 251 1 . . . . . 0.0 0.0 4.57 1 1 252 1 . . . . . 0.0 0.0 5.64 1 1 253 1 . . . . . 0.0 0.0 4.23 1 1 254 1 . . . . . 0.0 0.0 5.16 1 1 255 1 . . . . . 0.0 0.0 5.84 1 1 256 1 . . . . . 0.0 0.0 3.02 1 1 257 1 . . . . . 0.0 0.0 3.18 1 1 258 1 . . . . . 0.0 0.0 6.37 1 1 259 1 . . . . . 0.0 0.0 2.9 1 1 260 1 . . . . . 0.0 0.0 4.08 1 1 261 1 . . . . . 0.0 0.0 4.08 1 1 262 1 . . . . . 0.0 0.0 6.38 1 1 263 1 . . . . . 0.0 0.0 2.86 1 1 264 1 . . . . . 0.0 0.0 3.95 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 GLU C C 0.989 -2.989 1.193 1.00 . A A . 1 GLU C 1 1 1 2 1 1 1 GLU CA C 1.820 -3.154 2.458 1.00 . A A . 1 GLU CA 1 1 1 3 1 1 1 GLU CB C 2.770 -4.345 2.316 1.00 . A A . 1 GLU CB 1 1 1 4 1 1 1 GLU CD C 4.978 -5.390 2.959 1.00 . A A . 1 GLU CD 1 1 1 5 1 1 1 GLU CG C 4.053 -4.198 3.117 1.00 . A A . 1 GLU CG 1 1 1 6 1 1 1 GLU H1 H 1.557 -3.734 4.414 1.00 . A A . 1 GLU H1 1 1 1 7 1 1 1 GLU H2 H 0.227 -4.071 3.383 1.00 . A A . 1 GLU H2 1 1 1 8 1 1 1 GLU H3 H 0.528 -2.463 3.902 1.00 . A A . 1 GLU H3 1 1 1 9 1 1 1 GLU HA H 2.397 -2.254 2.613 1.00 . A A . 1 GLU HA 1 1 1 10 1 1 1 GLU HB2 H 2.262 -5.238 2.650 1.00 . A A . 1 GLU HB2 1 1 1 11 1 1 1 GLU HB3 H 3.032 -4.460 1.274 1.00 . A A . 1 GLU HB3 1 1 1 12 1 1 1 GLU HG2 H 4.573 -3.313 2.782 1.00 . A A . 1 GLU HG2 1 1 1 13 1 1 1 GLU HG3 H 3.800 -4.092 4.161 1.00 . A A . 1 GLU HG3 1 1 1 14 1 1 1 GLU N N 0.955 -3.375 3.646 1.00 . A A . 1 GLU N 1 1 1 15 1 1 1 GLU O O 0.073 -3.768 0.929 1.00 . A A . 1 GLU O 1 1 1 16 1 1 1 GLU OE1 O 4.511 -6.533 3.148 1.00 . A A . 1 GLU OE1 1 1 1 17 1 1 1 GLU OE2 O 6.169 -5.180 2.647 1.00 . A A . 1 GLU OE2 1 1 1 18 1 1 2 VAL C C 0.675 -2.864 -1.782 1.00 . A A . 2 VAL C 1 1 1 19 1 1 2 VAL CA C 0.610 -1.680 -0.821 1.00 . A A . 2 VAL CA 1 1 1 20 1 1 2 VAL CB C 1.190 -0.428 -1.507 1.00 . A A . 2 VAL CB 1 1 1 21 1 1 2 VAL CG1 C 2.593 -0.699 -2.034 1.00 . A A . 2 VAL CG1 1 1 1 22 1 1 2 VAL CG2 C 0.272 0.047 -2.625 1.00 . A A . 2 VAL CG2 1 1 1 23 1 1 2 VAL H H 2.057 -1.381 0.689 1.00 . A A . 2 VAL H 1 1 1 24 1 1 2 VAL HA H -0.424 -1.483 -0.577 1.00 . A A . 2 VAL HA 1 1 1 25 1 1 2 VAL HB H 1.258 0.356 -0.768 1.00 . A A . 2 VAL HB 1 1 1 26 1 1 2 VAL HG11 H 3.019 -1.540 -1.507 1.00 . A A . 2 VAL HG11 1 1 1 27 1 1 2 VAL HG12 H 3.211 0.173 -1.878 1.00 . A A . 2 VAL HG12 1 1 1 28 1 1 2 VAL HG13 H 2.545 -0.922 -3.089 1.00 . A A . 2 VAL HG13 1 1 1 29 1 1 2 VAL HG21 H -0.482 -0.702 -2.815 1.00 . A A . 2 VAL HG21 1 1 1 30 1 1 2 VAL HG22 H 0.850 0.212 -3.522 1.00 . A A . 2 VAL HG22 1 1 1 31 1 1 2 VAL HG23 H -0.205 0.970 -2.330 1.00 . A A . 2 VAL HG23 1 1 1 32 1 1 2 VAL N N 1.317 -1.965 0.418 1.00 . A A . 2 VAL N 1 1 1 33 1 1 2 VAL O O -0.241 -3.085 -2.574 1.00 . A A . 2 VAL O 1 1 1 34 1 1 3 ARG C C 0.934 -5.872 -2.240 1.00 . A A . 3 ARG C 1 1 1 35 1 1 3 ARG CA C 1.950 -4.782 -2.567 1.00 . A A . 3 ARG CA 1 1 1 36 1 1 3 ARG CB C 3.370 -5.332 -2.418 1.00 . A A . 3 ARG CB 1 1 1 37 1 1 3 ARG CD C 5.439 -5.637 -3.810 1.00 . A A . 3 ARG CD 1 1 1 38 1 1 3 ARG CG C 3.944 -5.891 -3.710 1.00 . A A . 3 ARG CG 1 1 1 39 1 1 3 ARG CZ C 7.002 -4.739 -5.491 1.00 . A A . 3 ARG CZ 1 1 1 40 1 1 3 ARG H H 2.459 -3.394 -1.053 1.00 . A A . 3 ARG H 1 1 1 41 1 1 3 ARG HA H 1.802 -4.464 -3.587 1.00 . A A . 3 ARG HA 1 1 1 42 1 1 3 ARG HB2 H 4.016 -4.537 -2.076 1.00 . A A . 3 ARG HB2 1 1 1 43 1 1 3 ARG HB3 H 3.363 -6.121 -1.681 1.00 . A A . 3 ARG HB3 1 1 1 44 1 1 3 ARG HD2 H 5.693 -4.803 -3.173 1.00 . A A . 3 ARG HD2 1 1 1 45 1 1 3 ARG HD3 H 5.964 -6.518 -3.475 1.00 . A A . 3 ARG HD3 1 1 1 46 1 1 3 ARG HE H 5.239 -5.579 -5.902 1.00 . A A . 3 ARG HE 1 1 1 47 1 1 3 ARG HG2 H 3.767 -6.955 -3.739 1.00 . A A . 3 ARG HG2 1 1 1 48 1 1 3 ARG HG3 H 3.450 -5.418 -4.546 1.00 . A A . 3 ARG HG3 1 1 1 49 1 1 3 ARG HH11 H 7.639 -4.568 -3.579 1.00 . A A . 3 ARG HH11 1 1 1 50 1 1 3 ARG HH12 H 8.720 -3.945 -4.779 1.00 . A A . 3 ARG HH12 1 1 1 51 1 1 3 ARG HH21 H 6.659 -4.760 -7.482 1.00 . A A . 3 ARG HH21 1 1 1 52 1 1 3 ARG HH22 H 8.164 -4.053 -6.995 1.00 . A A . 3 ARG HH22 1 1 1 53 1 1 3 ARG N N 1.764 -3.621 -1.705 1.00 . A A . 3 ARG N 1 1 1 54 1 1 3 ARG NE N 5.851 -5.331 -5.178 1.00 . A A . 3 ARG NE 1 1 1 55 1 1 3 ARG NH1 N 7.857 -4.389 -4.538 1.00 . A A . 3 ARG NH1 1 1 1 56 1 1 3 ARG NH2 N 7.300 -4.498 -6.760 1.00 . A A . 3 ARG NH2 1 1 1 57 1 1 3 ARG O O 0.558 -6.663 -3.105 1.00 . A A . 3 ARG O 1 1 1 58 1 1 4 ALA C C -1.899 -6.345 -0.545 1.00 . A A . 4 ALA C 1 1 1 59 1 1 4 ALA CA C -0.478 -6.906 -0.549 1.00 . A A . 4 ALA CA 1 1 1 60 1 1 4 ALA CB C -0.112 -7.428 0.832 1.00 . A A . 4 ALA CB 1 1 1 61 1 1 4 ALA H H 0.830 -5.255 -0.340 1.00 . A A . 4 ALA H 1 1 1 62 1 1 4 ALA HA H -0.435 -7.733 -1.240 1.00 . A A . 4 ALA HA 1 1 1 63 1 1 4 ALA HB1 H -1.007 -7.746 1.346 1.00 . A A . 4 ALA HB1 1 1 1 64 1 1 4 ALA HB2 H 0.368 -6.643 1.398 1.00 . A A . 4 ALA HB2 1 1 1 65 1 1 4 ALA HB3 H 0.564 -8.265 0.734 1.00 . A A . 4 ALA HB3 1 1 1 66 1 1 4 ALA N N 0.493 -5.910 -0.986 1.00 . A A . 4 ALA N 1 1 1 67 1 1 4 ALA O O -2.845 -7.040 -0.176 1.00 . A A . 4 ALA O 1 1 1 68 1 1 5 CYS C C -4.174 -4.965 -2.179 1.00 . A A . 5 CYS C 1 1 1 69 1 1 5 CYS CA C -3.355 -4.452 -1.001 1.00 . A A . 5 CYS CA 1 1 1 70 1 1 5 CYS CB C -3.214 -2.935 -1.107 1.00 . A A . 5 CYS CB 1 1 1 71 1 1 5 CYS H H -1.259 -4.585 -1.244 1.00 . A A . 5 CYS H 1 1 1 72 1 1 5 CYS HA H -3.870 -4.690 -0.082 1.00 . A A . 5 CYS HA 1 1 1 73 1 1 5 CYS HB2 H -2.456 -2.601 -0.421 1.00 . A A . 5 CYS HB2 1 1 1 74 1 1 5 CYS HB3 H -2.922 -2.677 -2.114 1.00 . A A . 5 CYS HB3 1 1 1 75 1 1 5 CYS N N -2.045 -5.090 -0.959 1.00 . A A . 5 CYS N 1 1 1 76 1 1 5 CYS O O -3.628 -5.516 -3.135 1.00 . A A . 5 CYS O 1 1 1 77 1 1 5 CYS SG S -4.745 -2.033 -0.723 1.00 . A A . 5 CYS SG 1 1 1 78 1 1 6 SER C C -7.121 -4.001 -3.777 1.00 . A A . 6 SER C 1 1 1 79 1 1 6 SER CA C -6.379 -5.195 -3.178 1.00 . A A . 6 SER CA 1 1 1 80 1 1 6 SER CB C -7.383 -6.222 -2.650 1.00 . A A . 6 SER CB 1 1 1 81 1 1 6 SER H H -5.861 -4.315 -1.328 1.00 . A A . 6 SER H 1 1 1 82 1 1 6 SER HA H -5.779 -5.655 -3.949 1.00 . A A . 6 SER HA 1 1 1 83 1 1 6 SER HB2 H -6.856 -6.988 -2.100 1.00 . A A . 6 SER HB2 1 1 1 84 1 1 6 SER HB3 H -8.087 -5.729 -1.996 1.00 . A A . 6 SER HB3 1 1 1 85 1 1 6 SER HG H -8.969 -6.439 -3.780 1.00 . A A . 6 SER HG 1 1 1 86 1 1 6 SER N N -5.485 -4.767 -2.111 1.00 . A A . 6 SER N 1 1 1 87 1 1 6 SER O O -8.147 -4.167 -4.436 1.00 . A A . 6 SER O 1 1 1 88 1 1 6 SER OG O -8.095 -6.832 -3.712 1.00 . A A . 6 SER OG 1 1 1 89 1 1 7 LEU C C -6.436 -1.023 -5.248 1.00 . A A . 7 LEU C 1 1 1 90 1 1 7 LEU CA C -7.222 -1.584 -4.064 1.00 . A A . 7 LEU CA 1 1 1 91 1 1 7 LEU CB C -7.326 -0.522 -2.967 1.00 . A A . 7 LEU CB 1 1 1 92 1 1 7 LEU CD1 C -7.515 -0.521 -0.461 1.00 . A A . 7 LEU CD1 1 1 1 93 1 1 7 LEU CD2 C -9.566 -0.259 -1.871 1.00 . A A . 7 LEU CD2 1 1 1 94 1 1 7 LEU CG C -8.194 -0.910 -1.767 1.00 . A A . 7 LEU CG 1 1 1 95 1 1 7 LEU H H -5.777 -2.722 -3.011 1.00 . A A . 7 LEU H 1 1 1 96 1 1 7 LEU HA H -8.216 -1.841 -4.397 1.00 . A A . 7 LEU HA 1 1 1 97 1 1 7 LEU HB2 H -6.330 -0.303 -2.612 1.00 . A A . 7 LEU HB2 1 1 1 98 1 1 7 LEU HB3 H -7.737 0.375 -3.404 1.00 . A A . 7 LEU HB3 1 1 1 99 1 1 7 LEU HD11 H -8.200 0.054 0.145 1.00 . A A . 7 LEU HD11 1 1 1 100 1 1 7 LEU HD12 H -6.638 0.072 -0.673 1.00 . A A . 7 LEU HD12 1 1 1 101 1 1 7 LEU HD13 H -7.225 -1.413 0.073 1.00 . A A . 7 LEU HD13 1 1 1 102 1 1 7 LEU HD21 H -9.471 0.805 -1.711 1.00 . A A . 7 LEU HD21 1 1 1 103 1 1 7 LEU HD22 H -10.222 -0.679 -1.123 1.00 . A A . 7 LEU HD22 1 1 1 104 1 1 7 LEU HD23 H -9.977 -0.440 -2.853 1.00 . A A . 7 LEU HD23 1 1 1 105 1 1 7 LEU HG H -8.332 -1.982 -1.764 1.00 . A A . 7 LEU HG 1 1 1 106 1 1 7 LEU N N -6.599 -2.797 -3.544 1.00 . A A . 7 LEU N 1 1 1 107 1 1 7 LEU O O -5.208 -1.103 -5.282 1.00 . A A . 7 LEU O 1 1 1 108 1 1 8 PRO C C -5.919 1.531 -7.139 1.00 . A A . 8 PRO C 1 1 1 109 1 1 8 PRO CA C -6.502 0.147 -7.417 1.00 . A A . 8 PRO CA 1 1 1 110 1 1 8 PRO CB C -7.657 0.244 -8.410 1.00 . A A . 8 PRO CB 1 1 1 111 1 1 8 PRO CD C -8.607 -0.290 -6.272 1.00 . A A . 8 PRO CD 1 1 1 112 1 1 8 PRO CG C -8.863 0.452 -7.559 1.00 . A A . 8 PRO CG 1 1 1 113 1 1 8 PRO HA H -5.732 -0.497 -7.814 1.00 . A A . 8 PRO HA 1 1 1 114 1 1 8 PRO HB2 H -7.493 1.078 -9.077 1.00 . A A . 8 PRO HB2 1 1 1 115 1 1 8 PRO HB3 H -7.728 -0.671 -8.977 1.00 . A A . 8 PRO HB3 1 1 1 116 1 1 8 PRO HD2 H -8.957 0.287 -5.429 1.00 . A A . 8 PRO HD2 1 1 1 117 1 1 8 PRO HD3 H -9.089 -1.257 -6.293 1.00 . A A . 8 PRO HD3 1 1 1 118 1 1 8 PRO HG2 H -8.996 1.506 -7.363 1.00 . A A . 8 PRO HG2 1 1 1 119 1 1 8 PRO HG3 H -9.734 0.050 -8.055 1.00 . A A . 8 PRO HG3 1 1 1 120 1 1 8 PRO N N -7.138 -0.436 -6.235 1.00 . A A . 8 PRO N 1 1 1 121 1 1 8 PRO O O -5.172 2.075 -7.952 1.00 . A A . 8 PRO O 1 1 1 122 1 1 9 HIS C C -4.346 3.324 -5.081 1.00 . A A . 9 HIS C 1 1 1 123 1 1 9 HIS CA C -5.774 3.412 -5.593 1.00 . A A . 9 HIS CA 1 1 1 124 1 1 9 HIS CB C -6.666 4.007 -4.503 1.00 . A A . 9 HIS CB 1 1 1 125 1 1 9 HIS CD2 C -5.387 6.100 -3.669 1.00 . A A . 9 HIS CD2 1 1 1 126 1 1 9 HIS CE1 C -6.819 7.632 -4.312 1.00 . A A . 9 HIS CE1 1 1 1 127 1 1 9 HIS CG C -6.423 5.464 -4.266 1.00 . A A . 9 HIS CG 1 1 1 128 1 1 9 HIS H H -6.859 1.611 -5.375 1.00 . A A . 9 HIS H 1 1 1 129 1 1 9 HIS HA H -5.800 4.051 -6.462 1.00 . A A . 9 HIS HA 1 1 1 130 1 1 9 HIS HB2 H -7.701 3.881 -4.782 1.00 . A A . 9 HIS HB2 1 1 1 131 1 1 9 HIS HB3 H -6.482 3.486 -3.573 1.00 . A A . 9 HIS HB3 1 1 1 132 1 1 9 HIS HD1 H -8.155 6.308 -5.119 1.00 . A A . 9 HIS HD1 1 1 1 133 1 1 9 HIS HD2 H -4.511 5.634 -3.239 1.00 . A A . 9 HIS HD2 1 1 1 134 1 1 9 HIS HE1 H -7.293 8.585 -4.491 1.00 . A A . 9 HIS HE1 1 1 1 135 1 1 9 HIS HE2 H -5.045 8.159 -3.435 1.00 . A A . 9 HIS HE2 1 1 1 136 1 1 9 HIS N N -6.263 2.094 -5.983 1.00 . A A . 9 HIS N 1 1 1 137 1 1 9 HIS ND1 N -7.303 6.451 -4.657 1.00 . A A . 9 HIS ND1 1 1 1 138 1 1 9 HIS NE2 N -5.658 7.446 -3.711 1.00 . A A . 9 HIS NE2 1 1 1 139 1 1 9 HIS O O -3.461 4.051 -5.531 1.00 . A A . 9 HIS O 1 1 1 140 1 1 10 CYS C C -1.837 1.684 -4.566 1.00 . A A . 10 CYS C 1 1 1 141 1 1 10 CYS CA C -2.821 2.227 -3.536 1.00 . A A . 10 CYS CA 1 1 1 142 1 1 10 CYS CB C -2.919 1.271 -2.346 1.00 . A A . 10 CYS CB 1 1 1 143 1 1 10 CYS H H -4.887 1.880 -3.818 1.00 . A A . 10 CYS H 1 1 1 144 1 1 10 CYS HA H -2.467 3.185 -3.188 1.00 . A A . 10 CYS HA 1 1 1 145 1 1 10 CYS HB2 H -2.945 0.256 -2.712 1.00 . A A . 10 CYS HB2 1 1 1 146 1 1 10 CYS HB3 H -2.049 1.399 -1.719 1.00 . A A . 10 CYS HB3 1 1 1 147 1 1 10 CYS N N -4.135 2.425 -4.130 1.00 . A A . 10 CYS N 1 1 1 148 1 1 10 CYS O O -0.629 1.888 -4.451 1.00 . A A . 10 CYS O 1 1 1 149 1 1 10 CYS SG S -4.396 1.518 -1.303 1.00 . A A . 10 CYS SG 1 1 1 150 1 1 11 ARG C C -1.093 1.515 -7.610 1.00 . A A . 11 ARG C 1 1 1 151 1 1 11 ARG CA C -1.525 0.432 -6.628 1.00 . A A . 11 ARG CA 1 1 1 152 1 1 11 ARG CB C -2.275 -0.677 -7.368 1.00 . A A . 11 ARG CB 1 1 1 153 1 1 11 ARG CD C -0.948 -1.333 -9.399 1.00 . A A . 11 ARG CD 1 1 1 154 1 1 11 ARG CG C -1.362 -1.721 -7.989 1.00 . A A . 11 ARG CG 1 1 1 155 1 1 11 ARG CZ C 1.507 -1.420 -9.207 1.00 . A A . 11 ARG CZ 1 1 1 156 1 1 11 ARG H H -3.334 0.869 -5.618 1.00 . A A . 11 ARG H 1 1 1 157 1 1 11 ARG HA H -0.645 0.012 -6.163 1.00 . A A . 11 ARG HA 1 1 1 158 1 1 11 ARG HB2 H -2.936 -1.174 -6.674 1.00 . A A . 11 ARG HB2 1 1 1 159 1 1 11 ARG HB3 H -2.865 -0.232 -8.156 1.00 . A A . 11 ARG HB3 1 1 1 160 1 1 11 ARG HD2 H -0.954 -2.217 -10.019 1.00 . A A . 11 ARG HD2 1 1 1 161 1 1 11 ARG HD3 H -1.660 -0.618 -9.786 1.00 . A A . 11 ARG HD3 1 1 1 162 1 1 11 ARG HE H 0.451 0.218 -9.637 1.00 . A A . 11 ARG HE 1 1 1 163 1 1 11 ARG HG2 H -0.476 -1.819 -7.379 1.00 . A A . 11 ARG HG2 1 1 1 164 1 1 11 ARG HG3 H -1.883 -2.666 -8.023 1.00 . A A . 11 ARG HG3 1 1 1 165 1 1 11 ARG HH11 H 0.579 -3.188 -8.889 1.00 . A A . 11 ARG HH11 1 1 1 166 1 1 11 ARG HH12 H 2.305 -3.223 -8.760 1.00 . A A . 11 ARG HH12 1 1 1 167 1 1 11 ARG HH21 H 2.722 0.174 -9.468 1.00 . A A . 11 ARG HH21 1 1 1 168 1 1 11 ARG HH22 H 3.522 -1.314 -9.088 1.00 . A A . 11 ARG HH22 1 1 1 169 1 1 11 ARG N N -2.362 0.996 -5.577 1.00 . A A . 11 ARG N 1 1 1 170 1 1 11 ARG NE N 0.387 -0.739 -9.434 1.00 . A A . 11 ARG NE 1 1 1 171 1 1 11 ARG NH1 N 1.459 -2.717 -8.929 1.00 . A A . 11 ARG NH1 1 1 1 172 1 1 11 ARG NH2 N 2.680 -0.803 -9.259 1.00 . A A . 11 ARG NH2 1 1 1 173 1 1 11 ARG O O -1.726 1.716 -8.647 1.00 . A A . 11 ARG O 1 1 1 174 1 1 12 THR C C 2.016 3.175 -8.279 1.00 . A A . 12 THR C 1 1 1 175 1 1 12 THR CA C 0.500 3.282 -8.123 1.00 . A A . 12 THR CA 1 1 1 176 1 1 12 THR CB C 0.125 4.645 -7.537 1.00 . A A . 12 THR CB 1 1 1 177 1 1 12 THR CG2 C 0.659 5.814 -8.338 1.00 . A A . 12 THR CG2 1 1 1 178 1 1 12 THR H H 0.445 2.010 -6.433 1.00 . A A . 12 THR H 1 1 1 179 1 1 12 THR HA H 0.043 3.181 -9.096 1.00 . A A . 12 THR HA 1 1 1 180 1 1 12 THR HB H 0.528 4.716 -6.536 1.00 . A A . 12 THR HB 1 1 1 181 1 1 12 THR HG1 H -1.639 4.122 -6.865 1.00 . A A . 12 THR HG1 1 1 1 182 1 1 12 THR HG21 H 1.231 5.444 -9.176 1.00 . A A . 12 THR HG21 1 1 1 183 1 1 12 THR HG22 H 1.293 6.421 -7.709 1.00 . A A . 12 THR HG22 1 1 1 184 1 1 12 THR HG23 H -0.166 6.409 -8.699 1.00 . A A . 12 THR HG23 1 1 1 185 1 1 12 THR N N -0.014 2.214 -7.274 1.00 . A A . 12 THR N 1 1 1 186 1 1 12 THR O O 2.511 2.656 -9.280 1.00 . A A . 12 THR O 1 1 1 187 1 1 12 THR OG1 O -1.283 4.786 -7.460 1.00 . A A . 12 THR OG1 1 1 1 188 1 1 13 MET C C 4.750 2.714 -6.213 1.00 . A A . 13 MET C 1 1 1 189 1 1 13 MET CA C 4.205 3.625 -7.312 1.00 . A A . 13 MET CA 1 1 1 190 1 1 13 MET CB C 4.780 5.034 -7.152 1.00 . A A . 13 MET CB 1 1 1 191 1 1 13 MET CE C 4.610 5.265 -11.065 1.00 . A A . 13 MET CE 1 1 1 192 1 1 13 MET CG C 4.572 5.917 -8.372 1.00 . A A . 13 MET CG 1 1 1 193 1 1 13 MET H H 2.299 4.068 -6.511 1.00 . A A . 13 MET H 1 1 1 194 1 1 13 MET HA H 4.506 3.231 -8.271 1.00 . A A . 13 MET HA 1 1 1 195 1 1 13 MET HB2 H 4.307 5.509 -6.306 1.00 . A A . 13 MET HB2 1 1 1 196 1 1 13 MET HB3 H 5.841 4.958 -6.966 1.00 . A A . 13 MET HB3 1 1 1 197 1 1 13 MET HE1 H 5.173 4.987 -11.944 1.00 . A A . 13 MET HE1 1 1 1 198 1 1 13 MET HE2 H 4.052 6.167 -11.267 1.00 . A A . 13 MET HE2 1 1 1 199 1 1 13 MET HE3 H 3.927 4.469 -10.808 1.00 . A A . 13 MET HE3 1 1 1 200 1 1 13 MET HG2 H 3.568 5.768 -8.741 1.00 . A A . 13 MET HG2 1 1 1 201 1 1 13 MET HG3 H 4.697 6.949 -8.078 1.00 . A A . 13 MET HG3 1 1 1 202 1 1 13 MET N N 2.749 3.668 -7.284 1.00 . A A . 13 MET N 1 1 1 203 1 1 13 MET O O 5.960 2.638 -6.009 1.00 . A A . 13 MET O 1 1 1 204 1 1 13 MET SD S 5.734 5.550 -9.701 1.00 . A A . 13 MET SD 1 1 1 205 1 1 14 LYS C C 4.509 1.882 -3.135 1.00 . A A . 14 LYS C 1 1 1 206 1 1 14 LYS CA C 4.225 1.116 -4.429 1.00 . A A . 14 LYS CA 1 1 1 207 1 1 14 LYS CB C 5.432 0.252 -4.841 1.00 . A A . 14 LYS CB 1 1 1 208 1 1 14 LYS CD C 7.923 0.317 -5.190 1.00 . A A . 14 LYS CD 1 1 1 209 1 1 14 LYS CE C 8.616 -0.939 -4.686 1.00 . A A . 14 LYS CE 1 1 1 210 1 1 14 LYS CG C 6.771 0.719 -4.284 1.00 . A A . 14 LYS CG 1 1 1 211 1 1 14 LYS H H 2.898 2.133 -5.722 1.00 . A A . 14 LYS H 1 1 1 212 1 1 14 LYS HA H 3.382 0.463 -4.254 1.00 . A A . 14 LYS HA 1 1 1 213 1 1 14 LYS HB2 H 5.265 -0.759 -4.500 1.00 . A A . 14 LYS HB2 1 1 1 214 1 1 14 LYS HB3 H 5.500 0.247 -5.919 1.00 . A A . 14 LYS HB3 1 1 1 215 1 1 14 LYS HD2 H 7.541 0.131 -6.182 1.00 . A A . 14 LYS HD2 1 1 1 216 1 1 14 LYS HD3 H 8.641 1.124 -5.224 1.00 . A A . 14 LYS HD3 1 1 1 217 1 1 14 LYS HE2 H 8.542 -0.968 -3.609 1.00 . A A . 14 LYS HE2 1 1 1 218 1 1 14 LYS HE3 H 8.117 -1.802 -5.103 1.00 . A A . 14 LYS HE3 1 1 1 219 1 1 14 LYS HG2 H 6.758 1.794 -4.190 1.00 . A A . 14 LYS HG2 1 1 1 220 1 1 14 LYS HG3 H 6.916 0.275 -3.312 1.00 . A A . 14 LYS HG3 1 1 1 221 1 1 14 LYS HZ1 H 10.546 -0.140 -4.697 1.00 . A A . 14 LYS HZ1 1 1 1 222 1 1 14 LYS HZ2 H 10.144 -0.979 -6.109 1.00 . A A . 14 LYS HZ2 1 1 1 223 1 1 14 LYS HZ3 H 10.504 -1.832 -4.694 1.00 . A A . 14 LYS HZ3 1 1 1 224 1 1 14 LYS N N 3.847 2.026 -5.509 1.00 . A A . 14 LYS N 1 1 1 225 1 1 14 LYS NZ N 10.053 -0.975 -5.073 1.00 . A A . 14 LYS NZ 1 1 1 226 1 1 14 LYS O O 5.204 1.386 -2.248 1.00 . A A . 14 LYS O 1 1 1 227 1 1 15 ASN C C 3.497 3.270 -0.630 1.00 . A A . 15 ASN C 1 1 1 228 1 1 15 ASN CA C 4.143 3.917 -1.851 1.00 . A A . 15 ASN CA 1 1 1 229 1 1 15 ASN CB C 3.542 5.302 -2.090 1.00 . A A . 15 ASN CB 1 1 1 230 1 1 15 ASN CG C 3.890 5.860 -3.457 1.00 . A A . 15 ASN CG 1 1 1 231 1 1 15 ASN H H 3.410 3.431 -3.763 1.00 . A A . 15 ASN H 1 1 1 232 1 1 15 ASN HA H 5.203 4.018 -1.676 1.00 . A A . 15 ASN HA 1 1 1 233 1 1 15 ASN HB2 H 2.467 5.241 -2.010 1.00 . A A . 15 ASN HB2 1 1 1 234 1 1 15 ASN HB3 H 3.915 5.977 -1.342 1.00 . A A . 15 ASN HB3 1 1 1 235 1 1 15 ASN HD21 H 5.616 6.558 -2.760 1.00 . A A . 15 ASN HD21 1 1 1 236 1 1 15 ASN HD22 H 5.304 6.860 -4.433 1.00 . A A . 15 ASN HD22 1 1 1 237 1 1 15 ASN N N 3.958 3.088 -3.031 1.00 . A A . 15 ASN N 1 1 1 238 1 1 15 ASN ND2 N 5.054 6.490 -3.561 1.00 . A A . 15 ASN ND2 1 1 1 239 1 1 15 ASN O O 2.424 3.681 -0.190 1.00 . A A . 15 ASN O 1 1 1 240 1 1 15 ASN OD1 O 3.121 5.726 -4.409 1.00 . A A . 15 ASN OD1 1 1 1 241 1 1 16 VAL C C 3.244 2.496 2.189 1.00 . A A . 16 VAL C 1 1 1 242 1 1 16 VAL CA C 3.657 1.536 1.078 1.00 . A A . 16 VAL CA 1 1 1 243 1 1 16 VAL CB C 4.707 0.555 1.629 1.00 . A A . 16 VAL CB 1 1 1 244 1 1 16 VAL CG1 C 4.102 -0.321 2.715 1.00 . A A . 16 VAL CG1 1 1 1 245 1 1 16 VAL CG2 C 5.287 -0.294 0.508 1.00 . A A . 16 VAL CG2 1 1 1 246 1 1 16 VAL H H 5.008 1.971 -0.494 1.00 . A A . 16 VAL H 1 1 1 247 1 1 16 VAL HA H 2.794 0.966 0.772 1.00 . A A . 16 VAL HA 1 1 1 248 1 1 16 VAL HB H 5.507 1.130 2.067 1.00 . A A . 16 VAL HB 1 1 1 249 1 1 16 VAL HG11 H 3.030 -0.361 2.590 1.00 . A A . 16 VAL HG11 1 1 1 250 1 1 16 VAL HG12 H 4.337 0.093 3.684 1.00 . A A . 16 VAL HG12 1 1 1 251 1 1 16 VAL HG13 H 4.511 -1.319 2.642 1.00 . A A . 16 VAL HG13 1 1 1 252 1 1 16 VAL HG21 H 5.578 -1.257 0.899 1.00 . A A . 16 VAL HG21 1 1 1 253 1 1 16 VAL HG22 H 6.151 0.202 0.091 1.00 . A A . 16 VAL HG22 1 1 1 254 1 1 16 VAL HG23 H 4.543 -0.429 -0.263 1.00 . A A . 16 VAL HG23 1 1 1 255 1 1 16 VAL N N 4.160 2.252 -0.091 1.00 . A A . 16 VAL N 1 1 1 256 1 1 16 VAL O O 2.222 2.298 2.845 1.00 . A A . 16 VAL O 1 1 1 257 1 1 17 LEU C C 2.415 5.197 3.176 1.00 . A A . 17 LEU C 1 1 1 258 1 1 17 LEU CA C 3.756 4.523 3.431 1.00 . A A . 17 LEU CA 1 1 1 259 1 1 17 LEU CB C 4.867 5.572 3.494 1.00 . A A . 17 LEU CB 1 1 1 260 1 1 17 LEU CD1 C 7.329 5.851 3.875 1.00 . A A . 17 LEU CD1 1 1 1 261 1 1 17 LEU CD2 C 5.781 5.632 5.827 1.00 . A A . 17 LEU CD2 1 1 1 262 1 1 17 LEU CG C 6.052 5.208 4.391 1.00 . A A . 17 LEU CG 1 1 1 263 1 1 17 LEU H H 4.846 3.644 1.843 1.00 . A A . 17 LEU H 1 1 1 264 1 1 17 LEU HA H 3.706 4.007 4.372 1.00 . A A . 17 LEU HA 1 1 1 265 1 1 17 LEU HB2 H 5.237 5.734 2.492 1.00 . A A . 17 LEU HB2 1 1 1 266 1 1 17 LEU HB3 H 4.442 6.496 3.856 1.00 . A A . 17 LEU HB3 1 1 1 267 1 1 17 LEU HD11 H 7.813 5.182 3.178 1.00 . A A . 17 LEU HD11 1 1 1 268 1 1 17 LEU HD12 H 7.993 6.049 4.704 1.00 . A A . 17 LEU HD12 1 1 1 269 1 1 17 LEU HD13 H 7.090 6.779 3.376 1.00 . A A . 17 LEU HD13 1 1 1 270 1 1 17 LEU HD21 H 5.948 6.694 5.926 1.00 . A A . 17 LEU HD21 1 1 1 271 1 1 17 LEU HD22 H 6.446 5.099 6.491 1.00 . A A . 17 LEU HD22 1 1 1 272 1 1 17 LEU HD23 H 4.757 5.403 6.083 1.00 . A A . 17 LEU HD23 1 1 1 273 1 1 17 LEU HG H 6.189 4.137 4.378 1.00 . A A . 17 LEU HG 1 1 1 274 1 1 17 LEU N N 4.045 3.537 2.397 1.00 . A A . 17 LEU N 1 1 1 275 1 1 17 LEU O O 1.682 5.526 4.109 1.00 . A A . 17 LEU O 1 1 1 276 1 1 18 ASN C C -0.316 5.053 1.661 1.00 . A A . 18 ASN C 1 1 1 277 1 1 18 ASN CA C 0.851 6.023 1.508 1.00 . A A . 18 ASN CA 1 1 1 278 1 1 18 ASN CB C 0.938 6.514 0.061 1.00 . A A . 18 ASN CB 1 1 1 279 1 1 18 ASN CG C 0.734 8.012 -0.055 1.00 . A A . 18 ASN CG 1 1 1 280 1 1 18 ASN H H 2.733 5.102 1.216 1.00 . A A . 18 ASN H 1 1 1 281 1 1 18 ASN HA H 0.686 6.868 2.157 1.00 . A A . 18 ASN HA 1 1 1 282 1 1 18 ASN HB2 H 1.911 6.271 -0.336 1.00 . A A . 18 ASN HB2 1 1 1 283 1 1 18 ASN HB3 H 0.181 6.019 -0.528 1.00 . A A . 18 ASN HB3 1 1 1 284 1 1 18 ASN HD21 H 2.583 8.339 0.601 1.00 . A A . 18 ASN HD21 1 1 1 285 1 1 18 ASN HD22 H 1.658 9.750 0.228 1.00 . A A . 18 ASN HD22 1 1 1 286 1 1 18 ASN N N 2.104 5.394 1.905 1.00 . A A . 18 ASN N 1 1 1 287 1 1 18 ASN ND2 N 1.762 8.778 0.293 1.00 . A A . 18 ASN ND2 1 1 1 288 1 1 18 ASN O O -1.453 5.464 1.890 1.00 . A A . 18 ASN O 1 1 1 289 1 1 18 ASN OD1 O -0.334 8.476 -0.453 1.00 . A A . 18 ASN OD1 1 1 1 290 1 1 19 HIS C C -1.389 2.459 3.104 1.00 . A A . 19 HIS C 1 1 1 291 1 1 19 HIS CA C -1.051 2.734 1.638 1.00 . A A . 19 HIS CA 1 1 1 292 1 1 19 HIS CB C -0.588 1.450 0.930 1.00 . A A . 19 HIS CB 1 1 1 293 1 1 19 HIS CD2 C -0.609 -0.727 2.318 1.00 . A A . 19 HIS CD2 1 1 1 294 1 1 19 HIS CE1 C -2.640 -1.343 1.844 1.00 . A A . 19 HIS CE1 1 1 1 295 1 1 19 HIS CG C -1.172 0.185 1.488 1.00 . A A . 19 HIS CG 1 1 1 296 1 1 19 HIS H H 0.898 3.500 1.336 1.00 . A A . 19 HIS H 1 1 1 297 1 1 19 HIS HA H -1.936 3.102 1.145 1.00 . A A . 19 HIS HA 1 1 1 298 1 1 19 HIS HB2 H -0.865 1.506 -0.112 1.00 . A A . 19 HIS HB2 1 1 1 299 1 1 19 HIS HB3 H 0.487 1.380 1.004 1.00 . A A . 19 HIS HB3 1 1 1 300 1 1 19 HIS HD2 H 0.383 -0.693 2.738 1.00 . A A . 19 HIS HD2 1 1 1 301 1 1 19 HIS HE1 H -3.569 -1.893 1.840 1.00 . A A . 19 HIS HE1 1 1 1 302 1 1 19 HIS HE2 H -1.387 -2.575 2.945 1.00 . A A . 19 HIS HE2 1 1 1 303 1 1 19 HIS N N -0.026 3.764 1.523 1.00 . A A . 19 HIS N 1 1 1 304 1 1 19 HIS ND1 N -2.453 -0.214 1.195 1.00 . A A . 19 HIS ND1 1 1 1 305 1 1 19 HIS NE2 N -1.551 -1.698 2.539 1.00 . A A . 19 HIS NE2 1 1 1 306 1 1 19 HIS O O -2.542 2.572 3.514 1.00 . A A . 19 HIS O 1 1 1 307 1 1 20 MET C C -1.221 2.995 6.029 1.00 . A A . 20 MET C 1 1 1 308 1 1 20 MET CA C -0.591 1.808 5.304 1.00 . A A . 20 MET CA 1 1 1 309 1 1 20 MET CB C 0.733 1.431 5.971 1.00 . A A . 20 MET CB 1 1 1 310 1 1 20 MET CE C 2.615 -2.053 6.663 1.00 . A A . 20 MET CE 1 1 1 311 1 1 20 MET CG C 1.284 0.090 5.516 1.00 . A A . 20 MET CG 1 1 1 312 1 1 20 MET H H 0.518 2.021 3.511 1.00 . A A . 20 MET H 1 1 1 313 1 1 20 MET HA H -1.267 0.970 5.370 1.00 . A A . 20 MET HA 1 1 1 314 1 1 20 MET HB2 H 1.466 2.192 5.746 1.00 . A A . 20 MET HB2 1 1 1 315 1 1 20 MET HB3 H 0.586 1.391 7.041 1.00 . A A . 20 MET HB3 1 1 1 316 1 1 20 MET HE1 H 1.928 -2.479 5.946 1.00 . A A . 20 MET HE1 1 1 1 317 1 1 20 MET HE2 H 2.209 -2.159 7.658 1.00 . A A . 20 MET HE2 1 1 1 318 1 1 20 MET HE3 H 3.562 -2.569 6.603 1.00 . A A . 20 MET HE3 1 1 1 319 1 1 20 MET HG2 H 0.568 -0.680 5.760 1.00 . A A . 20 MET HG2 1 1 1 320 1 1 20 MET HG3 H 1.427 0.120 4.445 1.00 . A A . 20 MET HG3 1 1 1 321 1 1 20 MET N N -0.383 2.097 3.889 1.00 . A A . 20 MET N 1 1 1 322 1 1 20 MET O O -1.827 2.835 7.088 1.00 . A A . 20 MET O 1 1 1 323 1 1 20 MET SD S 2.857 -0.317 6.297 1.00 . A A . 20 MET SD 1 1 1 324 1 1 21 THR C C -3.155 5.310 6.139 1.00 . A A . 21 THR C 1 1 1 325 1 1 21 THR CA C -1.633 5.392 6.049 1.00 . A A . 21 THR CA 1 1 1 326 1 1 21 THR CB C -1.212 6.619 5.233 1.00 . A A . 21 THR CB 1 1 1 327 1 1 21 THR CG2 C -2.149 6.947 4.086 1.00 . A A . 21 THR CG2 1 1 1 328 1 1 21 THR H H -0.583 4.252 4.611 1.00 . A A . 21 THR H 1 1 1 329 1 1 21 THR HA H -1.233 5.481 7.046 1.00 . A A . 21 THR HA 1 1 1 330 1 1 21 THR HB H -0.236 6.431 4.813 1.00 . A A . 21 THR HB 1 1 1 331 1 1 21 THR HG1 H -0.261 7.800 6.471 1.00 . A A . 21 THR HG1 1 1 1 332 1 1 21 THR HG21 H -2.901 7.645 4.424 1.00 . A A . 21 THR HG21 1 1 1 333 1 1 21 THR HG22 H -2.627 6.042 3.741 1.00 . A A . 21 THR HG22 1 1 1 334 1 1 21 THR HG23 H -1.586 7.389 3.277 1.00 . A A . 21 THR HG23 1 1 1 335 1 1 21 THR N N -1.076 4.183 5.454 1.00 . A A . 21 THR N 1 1 1 336 1 1 21 THR O O -3.772 5.941 6.997 1.00 . A A . 21 THR O 1 1 1 337 1 1 21 THR OG1 O -1.128 7.766 6.059 1.00 . A A . 21 THR OG1 1 1 1 338 1 1 22 HIS C C -5.628 2.920 5.262 1.00 . A A . 22 HIS C 1 1 1 339 1 1 22 HIS CA C -5.206 4.382 5.212 1.00 . A A . 22 HIS CA 1 1 1 340 1 1 22 HIS CB C -5.787 5.029 3.951 1.00 . A A . 22 HIS CB 1 1 1 341 1 1 22 HIS CD2 C -4.747 3.332 2.257 1.00 . A A . 22 HIS CD2 1 1 1 342 1 1 22 HIS CE1 C -4.318 4.744 0.639 1.00 . A A . 22 HIS CE1 1 1 1 343 1 1 22 HIS CG C -5.153 4.564 2.670 1.00 . A A . 22 HIS CG 1 1 1 344 1 1 22 HIS H H -3.201 4.067 4.579 1.00 . A A . 22 HIS H 1 1 1 345 1 1 22 HIS HA H -5.607 4.888 6.077 1.00 . A A . 22 HIS HA 1 1 1 346 1 1 22 HIS HB2 H -6.841 4.805 3.897 1.00 . A A . 22 HIS HB2 1 1 1 347 1 1 22 HIS HB3 H -5.657 6.100 4.016 1.00 . A A . 22 HIS HB3 1 1 1 348 1 1 22 HIS HD1 H -5.044 6.386 1.619 1.00 . A A . 22 HIS HD1 1 1 1 349 1 1 22 HIS HD2 H -4.822 2.401 2.808 1.00 . A A . 22 HIS HD2 1 1 1 350 1 1 22 HIS HE1 H -4.003 5.154 -0.310 1.00 . A A . 22 HIS HE1 1 1 1 351 1 1 22 HIS HE2 H -3.646 2.826 0.562 1.00 . A A . 22 HIS HE2 1 1 1 352 1 1 22 HIS N N -3.751 4.536 5.241 1.00 . A A . 22 HIS N 1 1 1 353 1 1 22 HIS ND1 N -4.868 5.422 1.630 1.00 . A A . 22 HIS ND1 1 1 1 354 1 1 22 HIS NE2 N -4.230 3.476 0.995 1.00 . A A . 22 HIS NE2 1 1 1 355 1 1 22 HIS O O -6.769 2.607 5.601 1.00 . A A . 22 HIS O 1 1 1 356 1 1 23 CYS C C -4.428 -0.096 6.079 1.00 . A A . 23 CYS C 1 1 1 357 1 1 23 CYS CA C -5.014 0.616 4.863 1.00 . A A . 23 CYS CA 1 1 1 358 1 1 23 CYS CB C -4.437 0.042 3.579 1.00 . A A . 23 CYS CB 1 1 1 359 1 1 23 CYS H H -3.838 2.327 4.605 1.00 . A A . 23 CYS H 1 1 1 360 1 1 23 CYS HA H -6.085 0.491 4.858 1.00 . A A . 23 CYS HA 1 1 1 361 1 1 23 CYS HB2 H -3.615 0.665 3.259 1.00 . A A . 23 CYS HB2 1 1 1 362 1 1 23 CYS HB3 H -4.068 -0.946 3.774 1.00 . A A . 23 CYS HB3 1 1 1 363 1 1 23 CYS N N -4.721 2.029 4.892 1.00 . A A . 23 CYS N 1 1 1 364 1 1 23 CYS O O -3.564 0.444 6.771 1.00 . A A . 23 CYS O 1 1 1 365 1 1 23 CYS SG S -5.621 -0.051 2.194 1.00 . A A . 23 CYS SG 1 1 1 366 1 1 24 GLN C C -3.487 -3.205 7.001 1.00 . A A . 24 GLN C 1 1 1 367 1 1 24 GLN CA C -4.426 -2.096 7.465 1.00 . A A . 24 GLN CA 1 1 1 368 1 1 24 GLN CB C -5.607 -2.699 8.228 1.00 . A A . 24 GLN CB 1 1 1 369 1 1 24 GLN CD C -7.512 -2.024 9.743 1.00 . A A . 24 GLN CD 1 1 1 370 1 1 24 GLN CG C -6.737 -1.713 8.478 1.00 . A A . 24 GLN CG 1 1 1 371 1 1 24 GLN H H -5.591 -1.687 5.745 1.00 . A A . 24 GLN H 1 1 1 372 1 1 24 GLN HA H -3.885 -1.434 8.123 1.00 . A A . 24 GLN HA 1 1 1 373 1 1 24 GLN HB2 H -6.002 -3.529 7.660 1.00 . A A . 24 GLN HB2 1 1 1 374 1 1 24 GLN HB3 H -5.257 -3.062 9.183 1.00 . A A . 24 GLN HB3 1 1 1 375 1 1 24 GLN HE21 H -6.725 -0.435 10.644 1.00 . A A . 24 GLN HE21 1 1 1 376 1 1 24 GLN HE22 H -7.825 -1.369 11.595 1.00 . A A . 24 GLN HE22 1 1 1 377 1 1 24 GLN HG2 H -6.319 -0.721 8.564 1.00 . A A . 24 GLN HG2 1 1 1 378 1 1 24 GLN HG3 H -7.417 -1.745 7.639 1.00 . A A . 24 GLN HG3 1 1 1 379 1 1 24 GLN N N -4.903 -1.310 6.333 1.00 . A A . 24 GLN N 1 1 1 380 1 1 24 GLN NE2 N -7.336 -1.192 10.764 1.00 . A A . 24 GLN NE2 1 1 1 381 1 1 24 GLN O O -3.833 -4.000 6.127 1.00 . A A . 24 GLN O 1 1 1 382 1 1 24 GLN OE1 O -8.260 -2.999 9.804 1.00 . A A . 24 GLN OE1 1 1 1 383 1 1 25 ALA C C -0.086 -4.174 8.147 1.00 . A A . 25 ALA C 1 1 1 384 1 1 25 ALA CA C -1.308 -4.262 7.239 1.00 . A A . 25 ALA CA 1 1 1 385 1 1 25 ALA CB C -0.898 -4.112 5.782 1.00 . A A . 25 ALA CB 1 1 1 386 1 1 25 ALA H H -2.080 -2.590 8.282 1.00 . A A . 25 ALA H 1 1 1 387 1 1 25 ALA HA H -1.766 -5.233 7.362 1.00 . A A . 25 ALA HA 1 1 1 388 1 1 25 ALA HB1 H -1.780 -4.020 5.167 1.00 . A A . 25 ALA HB1 1 1 1 389 1 1 25 ALA HB2 H -0.334 -4.981 5.476 1.00 . A A . 25 ALA HB2 1 1 1 390 1 1 25 ALA HB3 H -0.287 -3.228 5.669 1.00 . A A . 25 ALA HB3 1 1 1 391 1 1 25 ALA N N -2.297 -3.251 7.592 1.00 . A A . 25 ALA N 1 1 1 392 1 1 25 ALA O O 1.044 -4.381 7.705 1.00 . A A . 25 ALA O 1 1 1 393 1 1 26 GLY C C 1.463 -5.081 10.613 1.00 . A A . 26 GLY C 1 1 1 394 1 1 26 GLY CA C 0.771 -3.754 10.367 1.00 . A A . 26 GLY CA 1 1 1 395 1 1 26 GLY H H -1.242 -3.709 9.713 1.00 . A A . 26 GLY H 1 1 1 396 1 1 26 GLY HA2 H 1.495 -3.048 9.987 1.00 . A A . 26 GLY HA2 1 1 1 397 1 1 26 GLY HA3 H 0.382 -3.385 11.305 1.00 . A A . 26 GLY HA3 1 1 1 398 1 1 26 GLY N N -0.320 -3.864 9.418 1.00 . A A . 26 GLY N 1 1 1 399 1 1 26 GLY O O 1.916 -5.735 9.674 1.00 . A A . 26 GLY O 1 1 1 400 1 1 27 LYS C C 1.310 -7.534 13.204 1.00 . A A . 27 LYS C 1 1 1 401 1 1 27 LYS CA C 2.186 -6.735 12.245 1.00 . A A . 27 LYS CA 1 1 1 402 1 1 27 LYS CB C 3.550 -6.468 12.885 1.00 . A A . 27 LYS CB 1 1 1 403 1 1 27 LYS CD C 5.245 -8.134 12.069 1.00 . A A . 27 LYS CD 1 1 1 404 1 1 27 LYS CE C 4.595 -9.171 11.169 1.00 . A A . 27 LYS CE 1 1 1 405 1 1 27 LYS CG C 4.326 -7.733 13.212 1.00 . A A . 27 LYS CG 1 1 1 406 1 1 27 LYS H H 1.165 -4.912 12.583 1.00 . A A . 27 LYS H 1 1 1 407 1 1 27 LYS HA H 2.329 -7.310 11.342 1.00 . A A . 27 LYS HA 1 1 1 408 1 1 27 LYS HB2 H 4.143 -5.873 12.206 1.00 . A A . 27 LYS HB2 1 1 1 409 1 1 27 LYS HB3 H 3.403 -5.915 13.800 1.00 . A A . 27 LYS HB3 1 1 1 410 1 1 27 LYS HD2 H 5.478 -7.258 11.483 1.00 . A A . 27 LYS HD2 1 1 1 411 1 1 27 LYS HD3 H 6.155 -8.546 12.480 1.00 . A A . 27 LYS HD3 1 1 1 412 1 1 27 LYS HE2 H 3.530 -8.992 11.146 1.00 . A A . 27 LYS HE2 1 1 1 413 1 1 27 LYS HE3 H 4.998 -9.067 10.172 1.00 . A A . 27 LYS HE3 1 1 1 414 1 1 27 LYS HG2 H 4.922 -7.560 14.096 1.00 . A A . 27 LYS HG2 1 1 1 415 1 1 27 LYS HG3 H 3.627 -8.535 13.398 1.00 . A A . 27 LYS HG3 1 1 1 416 1 1 27 LYS HZ1 H 4.047 -10.880 12.237 1.00 . A A . 27 LYS HZ1 1 1 1 417 1 1 27 LYS HZ2 H 5.713 -10.590 12.217 1.00 . A A . 27 LYS HZ2 1 1 1 418 1 1 27 LYS HZ3 H 4.945 -11.204 10.840 1.00 . A A . 27 LYS HZ3 1 1 1 419 1 1 27 LYS N N 1.545 -5.478 11.879 1.00 . A A . 27 LYS N 1 1 1 420 1 1 27 LYS NZ N 4.842 -10.558 11.649 1.00 . A A . 27 LYS NZ 1 1 1 421 1 1 27 LYS O O 1.013 -8.707 12.895 1.00 . A A . 27 LYS O 1 1 1 422 1 1 27 LYS OXT O 0.928 -6.980 14.256 1.00 . A A . 27 LYS OXT 1 1 1 423 2 2 1 ZN ZN ZN -4.250 -0.078 0.339 1.00 . B A . 28 ZN ZN 1 1 2 424 1 1 1 GLU C C 1.087 -2.971 1.385 1.00 . A A . 1 GLU C 1 1 2 425 1 1 1 GLU CA C 1.975 -3.047 2.620 1.00 . A A . 1 GLU CA 1 1 2 426 1 1 1 GLU CB C 2.913 -4.251 2.524 1.00 . A A . 1 GLU CB 1 1 2 427 1 1 1 GLU CD C 4.819 -5.434 3.686 1.00 . A A . 1 GLU CD 1 1 2 428 1 1 1 GLU CG C 4.182 -4.101 3.348 1.00 . A A . 1 GLU CG 1 1 2 429 1 1 1 GLU H1 H 0.623 -4.060 3.794 1.00 . A A . 1 GLU H1 1 1 2 430 1 1 1 GLU H2 H 0.530 -2.350 3.909 1.00 . A A . 1 GLU H2 1 1 2 431 1 1 1 GLU H3 H 1.818 -3.195 4.666 1.00 . A A . 1 GLU H3 1 1 2 432 1 1 1 GLU HA H 2.561 -2.142 2.683 1.00 . A A . 1 GLU HA 1 1 2 433 1 1 1 GLU HB2 H 2.389 -5.131 2.868 1.00 . A A . 1 GLU HB2 1 1 2 434 1 1 1 GLU HB3 H 3.196 -4.392 1.491 1.00 . A A . 1 GLU HB3 1 1 2 435 1 1 1 GLU HG2 H 4.892 -3.512 2.788 1.00 . A A . 1 GLU HG2 1 1 2 436 1 1 1 GLU HG3 H 3.939 -3.591 4.269 1.00 . A A . 1 GLU HG3 1 1 2 437 1 1 1 GLU N N 1.163 -3.175 3.859 1.00 . A A . 1 GLU N 1 1 2 438 1 1 1 GLU O O 0.105 -3.703 1.263 1.00 . A A . 1 GLU O 1 1 2 439 1 1 1 GLU OE1 O 4.301 -6.129 4.585 1.00 . A A . 1 GLU OE1 1 1 2 440 1 1 1 GLU OE2 O 5.836 -5.784 3.051 1.00 . A A . 1 GLU OE2 1 1 2 441 1 1 2 VAL C C 0.747 -3.132 -1.638 1.00 . A A . 2 VAL C 1 1 2 442 1 1 2 VAL CA C 0.686 -1.888 -0.755 1.00 . A A . 2 VAL CA 1 1 2 443 1 1 2 VAL CB C 1.210 -0.672 -1.544 1.00 . A A . 2 VAL CB 1 1 2 444 1 1 2 VAL CG1 C 2.593 -0.950 -2.115 1.00 . A A . 2 VAL CG1 1 1 2 445 1 1 2 VAL CG2 C 0.235 -0.287 -2.646 1.00 . A A . 2 VAL CG2 1 1 2 446 1 1 2 VAL H H 2.235 -1.521 0.634 1.00 . A A . 2 VAL H 1 1 2 447 1 1 2 VAL HA H -0.343 -1.700 -0.488 1.00 . A A . 2 VAL HA 1 1 2 448 1 1 2 VAL HB H 1.293 0.160 -0.859 1.00 . A A . 2 VAL HB 1 1 2 449 1 1 2 VAL HG11 H 3.200 -0.061 -2.037 1.00 . A A . 2 VAL HG11 1 1 2 450 1 1 2 VAL HG12 H 2.503 -1.235 -3.153 1.00 . A A . 2 VAL HG12 1 1 2 451 1 1 2 VAL HG13 H 3.057 -1.753 -1.561 1.00 . A A . 2 VAL HG13 1 1 2 452 1 1 2 VAL HG21 H -0.729 -0.733 -2.447 1.00 . A A . 2 VAL HG21 1 1 2 453 1 1 2 VAL HG22 H 0.606 -0.642 -3.596 1.00 . A A . 2 VAL HG22 1 1 2 454 1 1 2 VAL HG23 H 0.134 0.788 -2.678 1.00 . A A . 2 VAL HG23 1 1 2 455 1 1 2 VAL N N 1.442 -2.075 0.474 1.00 . A A . 2 VAL N 1 1 2 456 1 1 2 VAL O O -0.189 -3.425 -2.381 1.00 . A A . 2 VAL O 1 1 2 457 1 1 3 ARG C C 0.964 -6.099 -2.023 1.00 . A A . 3 ARG C 1 1 2 458 1 1 3 ARG CA C 2.043 -5.068 -2.341 1.00 . A A . 3 ARG CA 1 1 2 459 1 1 3 ARG CB C 3.427 -5.666 -2.081 1.00 . A A . 3 ARG CB 1 1 2 460 1 1 3 ARG CD C 5.257 -7.026 -3.137 1.00 . A A . 3 ARG CD 1 1 2 461 1 1 3 ARG CG C 3.756 -6.851 -2.973 1.00 . A A . 3 ARG CG 1 1 2 462 1 1 3 ARG CZ C 6.942 -6.564 -4.874 1.00 . A A . 3 ARG CZ 1 1 2 463 1 1 3 ARG H H 2.569 -3.572 -0.941 1.00 . A A . 3 ARG H 1 1 2 464 1 1 3 ARG HA H 1.968 -4.798 -3.384 1.00 . A A . 3 ARG HA 1 1 2 465 1 1 3 ARG HB2 H 4.172 -4.902 -2.244 1.00 . A A . 3 ARG HB2 1 1 2 466 1 1 3 ARG HB3 H 3.478 -5.991 -1.052 1.00 . A A . 3 ARG HB3 1 1 2 467 1 1 3 ARG HD2 H 5.749 -6.650 -2.252 1.00 . A A . 3 ARG HD2 1 1 2 468 1 1 3 ARG HD3 H 5.474 -8.078 -3.249 1.00 . A A . 3 ARG HD3 1 1 2 469 1 1 3 ARG HE H 5.205 -5.600 -4.680 1.00 . A A . 3 ARG HE 1 1 2 470 1 1 3 ARG HG2 H 3.346 -7.747 -2.531 1.00 . A A . 3 ARG HG2 1 1 2 471 1 1 3 ARG HG3 H 3.312 -6.692 -3.945 1.00 . A A . 3 ARG HG3 1 1 2 472 1 1 3 ARG HH11 H 7.444 -8.047 -3.593 1.00 . A A . 3 ARG HH11 1 1 2 473 1 1 3 ARG HH12 H 8.612 -7.703 -4.824 1.00 . A A . 3 ARG HH12 1 1 2 474 1 1 3 ARG HH21 H 6.741 -5.146 -6.300 1.00 . A A . 3 ARG HH21 1 1 2 475 1 1 3 ARG HH22 H 8.213 -6.056 -6.361 1.00 . A A . 3 ARG HH22 1 1 2 476 1 1 3 ARG N N 1.857 -3.858 -1.551 1.00 . A A . 3 ARG N 1 1 2 477 1 1 3 ARG NE N 5.767 -6.309 -4.303 1.00 . A A . 3 ARG NE 1 1 2 478 1 1 3 ARG NH1 N 7.730 -7.516 -4.391 1.00 . A A . 3 ARG NH1 1 1 2 479 1 1 3 ARG NH2 N 7.331 -5.864 -5.932 1.00 . A A . 3 ARG NH2 1 1 2 480 1 1 3 ARG O O 0.610 -6.921 -2.868 1.00 . A A . 3 ARG O 1 1 2 481 1 1 4 ALA C C -1.978 -6.348 -0.424 1.00 . A A . 4 ALA C 1 1 2 482 1 1 4 ALA CA C -0.591 -6.984 -0.375 1.00 . A A . 4 ALA CA 1 1 2 483 1 1 4 ALA CB C -0.294 -7.498 1.026 1.00 . A A . 4 ALA CB 1 1 2 484 1 1 4 ALA H H 0.769 -5.375 -0.168 1.00 . A A . 4 ALA H 1 1 2 485 1 1 4 ALA HA H -0.573 -7.825 -1.050 1.00 . A A . 4 ALA HA 1 1 2 486 1 1 4 ALA HB1 H 0.774 -7.574 1.163 1.00 . A A . 4 ALA HB1 1 1 2 487 1 1 4 ALA HB2 H -0.744 -8.471 1.155 1.00 . A A . 4 ALA HB2 1 1 2 488 1 1 4 ALA HB3 H -0.703 -6.813 1.754 1.00 . A A . 4 ALA HB3 1 1 2 489 1 1 4 ALA N N 0.446 -6.051 -0.800 1.00 . A A . 4 ALA N 1 1 2 490 1 1 4 ALA O O -2.971 -6.980 -0.063 1.00 . A A . 4 ALA O 1 1 2 491 1 1 5 CYS C C -4.133 -4.892 -2.153 1.00 . A A . 5 CYS C 1 1 2 492 1 1 5 CYS CA C -3.318 -4.393 -0.966 1.00 . A A . 5 CYS CA 1 1 2 493 1 1 5 CYS CB C -3.095 -2.888 -1.106 1.00 . A A . 5 CYS CB 1 1 2 494 1 1 5 CYS H H -1.227 -4.642 -1.149 1.00 . A A . 5 CYS H 1 1 2 495 1 1 5 CYS HA H -3.868 -4.579 -0.056 1.00 . A A . 5 CYS HA 1 1 2 496 1 1 5 CYS HB2 H -2.347 -2.573 -0.403 1.00 . A A . 5 CYS HB2 1 1 2 497 1 1 5 CYS HB3 H -2.757 -2.672 -2.109 1.00 . A A . 5 CYS HB3 1 1 2 498 1 1 5 CYS N N -2.046 -5.098 -0.873 1.00 . A A . 5 CYS N 1 1 2 499 1 1 5 CYS O O -3.591 -5.485 -3.086 1.00 . A A . 5 CYS O 1 1 2 500 1 1 5 CYS SG S -4.591 -1.900 -0.801 1.00 . A A . 5 CYS SG 1 1 2 501 1 1 6 SER C C -7.054 -3.835 -3.780 1.00 . A A . 6 SER C 1 1 2 502 1 1 6 SER CA C -6.324 -5.043 -3.196 1.00 . A A . 6 SER CA 1 1 2 503 1 1 6 SER CB C -7.338 -6.071 -2.688 1.00 . A A . 6 SER CB 1 1 2 504 1 1 6 SER H H -5.806 -4.151 -1.351 1.00 . A A . 6 SER H 1 1 2 505 1 1 6 SER HA H -5.723 -5.495 -3.970 1.00 . A A . 6 SER HA 1 1 2 506 1 1 6 SER HB2 H -8.237 -6.010 -3.283 1.00 . A A . 6 SER HB2 1 1 2 507 1 1 6 SER HB3 H -6.916 -7.061 -2.773 1.00 . A A . 6 SER HB3 1 1 2 508 1 1 6 SER HG H -8.583 -6.089 -1.176 1.00 . A A . 6 SER HG 1 1 2 509 1 1 6 SER N N -5.435 -4.635 -2.117 1.00 . A A . 6 SER N 1 1 2 510 1 1 6 SER O O -8.094 -3.981 -4.423 1.00 . A A . 6 SER O 1 1 2 511 1 1 6 SER OG O -7.672 -5.831 -1.332 1.00 . A A . 6 SER OG 1 1 2 512 1 1 7 LEU C C -6.339 -0.864 -5.252 1.00 . A A . 7 LEU C 1 1 2 513 1 1 7 LEU CA C -7.115 -1.415 -4.059 1.00 . A A . 7 LEU CA 1 1 2 514 1 1 7 LEU CB C -7.182 -0.356 -2.956 1.00 . A A . 7 LEU CB 1 1 2 515 1 1 7 LEU CD1 C -7.335 -0.360 -0.448 1.00 . A A . 7 LEU CD1 1 1 2 516 1 1 7 LEU CD2 C -9.401 -0.054 -1.828 1.00 . A A . 7 LEU CD2 1 1 2 517 1 1 7 LEU CG C -8.041 -0.732 -1.745 1.00 . A A . 7 LEU CG 1 1 2 518 1 1 7 LEU H H -5.675 -2.584 -3.031 1.00 . A A . 7 LEU H 1 1 2 519 1 1 7 LEU HA H -8.119 -1.653 -4.376 1.00 . A A . 7 LEU HA 1 1 2 520 1 1 7 LEU HB2 H -6.177 -0.158 -2.614 1.00 . A A . 7 LEU HB2 1 1 2 521 1 1 7 LEU HB3 H -7.582 0.550 -3.384 1.00 . A A . 7 LEU HB3 1 1 2 522 1 1 7 LEU HD11 H -6.460 0.233 -0.670 1.00 . A A . 7 LEU HD11 1 1 2 523 1 1 7 LEU HD12 H -7.038 -1.259 0.071 1.00 . A A . 7 LEU HD12 1 1 2 524 1 1 7 LEU HD13 H -8.007 0.211 0.178 1.00 . A A . 7 LEU HD13 1 1 2 525 1 1 7 LEU HD21 H -9.285 1.006 -1.656 1.00 . A A . 7 LEU HD21 1 1 2 526 1 1 7 LEU HD22 H -10.057 -0.471 -1.078 1.00 . A A . 7 LEU HD22 1 1 2 527 1 1 7 LEU HD23 H -9.825 -0.217 -2.808 1.00 . A A . 7 LEU HD23 1 1 2 528 1 1 7 LEU HG H -8.198 -1.801 -1.743 1.00 . A A . 7 LEU HG 1 1 2 529 1 1 7 LEU N N -6.506 -2.641 -3.552 1.00 . A A . 7 LEU N 1 1 2 530 1 1 7 LEU O O -5.114 -0.971 -5.310 1.00 . A A . 7 LEU O 1 1 2 531 1 1 8 PRO C C -5.797 1.690 -7.132 1.00 . A A . 8 PRO C 1 1 2 532 1 1 8 PRO CA C -6.419 0.323 -7.411 1.00 . A A . 8 PRO CA 1 1 2 533 1 1 8 PRO CB C -7.590 0.457 -8.381 1.00 . A A . 8 PRO CB 1 1 2 534 1 1 8 PRO CD C -8.512 -0.076 -6.230 1.00 . A A . 8 PRO CD 1 1 2 535 1 1 8 PRO CG C -8.774 0.684 -7.506 1.00 . A A . 8 PRO CG 1 1 2 536 1 1 8 PRO HA H -5.672 -0.336 -7.829 1.00 . A A . 8 PRO HA 1 1 2 537 1 1 8 PRO HB2 H -7.419 1.293 -9.044 1.00 . A A . 8 PRO HB2 1 1 2 538 1 1 8 PRO HB3 H -7.693 -0.452 -8.956 1.00 . A A . 8 PRO HB3 1 1 2 539 1 1 8 PRO HD2 H -8.833 0.500 -5.376 1.00 . A A . 8 PRO HD2 1 1 2 540 1 1 8 PRO HD3 H -9.015 -1.032 -6.252 1.00 . A A . 8 PRO HD3 1 1 2 541 1 1 8 PRO HG2 H -8.879 1.739 -7.297 1.00 . A A . 8 PRO HG2 1 1 2 542 1 1 8 PRO HG3 H -9.664 0.308 -7.989 1.00 . A A . 8 PRO HG3 1 1 2 543 1 1 8 PRO N N -7.046 -0.255 -6.222 1.00 . A A . 8 PRO N 1 1 2 544 1 1 8 PRO O O -5.043 2.219 -7.948 1.00 . A A . 8 PRO O 1 1 2 545 1 1 9 HIS C C -4.157 3.430 -5.089 1.00 . A A . 9 HIS C 1 1 2 546 1 1 9 HIS CA C -5.592 3.557 -5.577 1.00 . A A . 9 HIS CA 1 1 2 547 1 1 9 HIS CB C -6.451 4.164 -4.467 1.00 . A A . 9 HIS CB 1 1 2 548 1 1 9 HIS CD2 C -5.104 6.212 -3.630 1.00 . A A . 9 HIS CD2 1 1 2 549 1 1 9 HIS CE1 C -6.505 7.788 -4.230 1.00 . A A . 9 HIS CE1 1 1 2 550 1 1 9 HIS CG C -6.166 5.611 -4.216 1.00 . A A . 9 HIS CG 1 1 2 551 1 1 9 HIS H H -6.720 1.784 -5.360 1.00 . A A . 9 HIS H 1 1 2 552 1 1 9 HIS HA H -5.616 4.205 -6.440 1.00 . A A . 9 HIS HA 1 1 2 553 1 1 9 HIS HB2 H -7.493 4.069 -4.732 1.00 . A A . 9 HIS HB2 1 1 2 554 1 1 9 HIS HB3 H -6.268 3.626 -3.546 1.00 . A A . 9 HIS HB3 1 1 2 555 1 1 9 HIS HD1 H -7.889 6.510 -5.030 1.00 . A A . 9 HIS HD1 1 1 2 556 1 1 9 HIS HD2 H -4.233 5.718 -3.220 1.00 . A A . 9 HIS HD2 1 1 2 557 1 1 9 HIS HE1 H -6.957 8.756 -4.389 1.00 . A A . 9 HIS HE1 1 1 2 558 1 1 9 HIS HE2 H -4.786 8.246 -3.216 1.00 . A A . 9 HIS HE2 1 1 2 559 1 1 9 HIS N N -6.118 2.255 -5.970 1.00 . A A . 9 HIS N 1 1 2 560 1 1 9 HIS ND1 N -7.026 6.625 -4.581 1.00 . A A . 9 HIS ND1 1 1 2 561 1 1 9 HIS NE2 N -5.340 7.565 -3.651 1.00 . A A . 9 HIS NE2 1 1 2 562 1 1 9 HIS O O -3.271 4.170 -5.517 1.00 . A A . 9 HIS O 1 1 2 563 1 1 10 CYS C C -1.690 1.642 -4.660 1.00 . A A . 10 CYS C 1 1 2 564 1 1 10 CYS CA C -2.625 2.247 -3.619 1.00 . A A . 10 CYS CA 1 1 2 565 1 1 10 CYS CB C -2.732 1.323 -2.404 1.00 . A A . 10 CYS CB 1 1 2 566 1 1 10 CYS H H -4.697 1.935 -3.887 1.00 . A A . 10 CYS H 1 1 2 567 1 1 10 CYS HA H -2.223 3.198 -3.301 1.00 . A A . 10 CYS HA 1 1 2 568 1 1 10 CYS HB2 H -2.793 0.301 -2.746 1.00 . A A . 10 CYS HB2 1 1 2 569 1 1 10 CYS HB3 H -1.848 1.440 -1.794 1.00 . A A . 10 CYS HB3 1 1 2 570 1 1 10 CYS N N -3.944 2.486 -4.184 1.00 . A A . 10 CYS N 1 1 2 571 1 1 10 CYS O O -0.472 1.804 -4.583 1.00 . A A . 10 CYS O 1 1 2 572 1 1 10 CYS SG S -4.185 1.638 -1.347 1.00 . A A . 10 CYS SG 1 1 2 573 1 1 11 ARG C C -0.940 1.380 -7.654 1.00 . A A . 11 ARG C 1 1 2 574 1 1 11 ARG CA C -1.480 0.325 -6.695 1.00 . A A . 11 ARG CA 1 1 2 575 1 1 11 ARG CB C -2.327 -0.694 -7.459 1.00 . A A . 11 ARG CB 1 1 2 576 1 1 11 ARG CD C -2.477 -1.749 -9.735 1.00 . A A . 11 ARG CD 1 1 2 577 1 1 11 ARG CG C -1.568 -1.409 -8.566 1.00 . A A . 11 ARG CG 1 1 2 578 1 1 11 ARG CZ C -0.923 -2.984 -11.195 1.00 . A A . 11 ARG CZ 1 1 2 579 1 1 11 ARG H H -3.244 0.855 -5.648 1.00 . A A . 11 ARG H 1 1 2 580 1 1 11 ARG HA H -0.648 -0.185 -6.233 1.00 . A A . 11 ARG HA 1 1 2 581 1 1 11 ARG HB2 H -2.691 -1.437 -6.764 1.00 . A A . 11 ARG HB2 1 1 2 582 1 1 11 ARG HB3 H -3.170 -0.185 -7.902 1.00 . A A . 11 ARG HB3 1 1 2 583 1 1 11 ARG HD2 H -3.475 -1.923 -9.360 1.00 . A A . 11 ARG HD2 1 1 2 584 1 1 11 ARG HD3 H -2.491 -0.913 -10.419 1.00 . A A . 11 ARG HD3 1 1 2 585 1 1 11 ARG HE H -2.573 -3.749 -10.373 1.00 . A A . 11 ARG HE 1 1 2 586 1 1 11 ARG HG2 H -0.773 -0.768 -8.916 1.00 . A A . 11 ARG HG2 1 1 2 587 1 1 11 ARG HG3 H -1.149 -2.322 -8.169 1.00 . A A . 11 ARG HG3 1 1 2 588 1 1 11 ARG HH11 H -0.406 -1.057 -10.861 1.00 . A A . 11 ARG HH11 1 1 2 589 1 1 11 ARG HH12 H 0.670 -1.948 -11.884 1.00 . A A . 11 ARG HH12 1 1 2 590 1 1 11 ARG HH21 H -1.157 -4.922 -11.718 1.00 . A A . 11 ARG HH21 1 1 2 591 1 1 11 ARG HH22 H 0.244 -4.142 -12.371 1.00 . A A . 11 ARG HH22 1 1 2 592 1 1 11 ARG N N -2.267 0.947 -5.637 1.00 . A A . 11 ARG N 1 1 2 593 1 1 11 ARG NE N -2.026 -2.940 -10.451 1.00 . A A . 11 ARG NE 1 1 2 594 1 1 11 ARG NH1 N -0.157 -1.908 -11.324 1.00 . A A . 11 ARG NH1 1 1 2 595 1 1 11 ARG NH2 N -0.584 -4.108 -11.812 1.00 . A A . 11 ARG NH2 1 1 2 596 1 1 11 ARG O O -1.545 1.662 -8.689 1.00 . A A . 11 ARG O 1 1 2 597 1 1 12 THR C C 2.345 2.898 -8.047 1.00 . A A . 12 THR C 1 1 2 598 1 1 12 THR CA C 0.820 2.996 -8.121 1.00 . A A . 12 THR CA 1 1 2 599 1 1 12 THR CB C 0.347 4.377 -7.663 1.00 . A A . 12 THR CB 1 1 2 600 1 1 12 THR CG2 C 0.988 5.517 -8.426 1.00 . A A . 12 THR CG2 1 1 2 601 1 1 12 THR H H 0.629 1.700 -6.459 1.00 . A A . 12 THR H 1 1 2 602 1 1 12 THR HA H 0.510 2.838 -9.143 1.00 . A A . 12 THR HA 1 1 2 603 1 1 12 THR HB H 0.595 4.496 -6.617 1.00 . A A . 12 THR HB 1 1 2 604 1 1 12 THR HG1 H -1.423 4.915 -7.021 1.00 . A A . 12 THR HG1 1 1 2 605 1 1 12 THR HG21 H 0.236 6.028 -9.008 1.00 . A A . 12 THR HG21 1 1 2 606 1 1 12 THR HG22 H 1.750 5.127 -9.084 1.00 . A A . 12 THR HG22 1 1 2 607 1 1 12 THR HG23 H 1.435 6.210 -7.728 1.00 . A A . 12 THR HG23 1 1 2 608 1 1 12 THR N N 0.198 1.965 -7.299 1.00 . A A . 12 THR N 1 1 2 609 1 1 12 THR O O 2.960 2.129 -8.785 1.00 . A A . 12 THR O 1 1 2 610 1 1 12 THR OG1 O -1.057 4.499 -7.805 1.00 . A A . 12 THR OG1 1 1 2 611 1 1 13 MET C C 4.766 2.820 -5.745 1.00 . A A . 13 MET C 1 1 2 612 1 1 13 MET CA C 4.395 3.649 -6.969 1.00 . A A . 13 MET CA 1 1 2 613 1 1 13 MET CB C 4.934 5.073 -6.821 1.00 . A A . 13 MET CB 1 1 2 614 1 1 13 MET CE C 7.686 7.024 -8.350 1.00 . A A . 13 MET CE 1 1 2 615 1 1 13 MET CG C 5.233 5.751 -8.148 1.00 . A A . 13 MET CG 1 1 2 616 1 1 13 MET H H 2.413 4.252 -6.572 1.00 . A A . 13 MET H 1 1 2 617 1 1 13 MET HA H 4.831 3.194 -7.846 1.00 . A A . 13 MET HA 1 1 2 618 1 1 13 MET HB2 H 4.204 5.669 -6.294 1.00 . A A . 13 MET HB2 1 1 2 619 1 1 13 MET HB3 H 5.846 5.042 -6.244 1.00 . A A . 13 MET HB3 1 1 2 620 1 1 13 MET HE1 H 6.942 7.806 -8.389 1.00 . A A . 13 MET HE1 1 1 2 621 1 1 13 MET HE2 H 8.458 7.227 -9.078 1.00 . A A . 13 MET HE2 1 1 2 622 1 1 13 MET HE3 H 8.122 6.991 -7.363 1.00 . A A . 13 MET HE3 1 1 2 623 1 1 13 MET HG2 H 4.545 5.376 -8.892 1.00 . A A . 13 MET HG2 1 1 2 624 1 1 13 MET HG3 H 5.092 6.815 -8.033 1.00 . A A . 13 MET HG3 1 1 2 625 1 1 13 MET N N 2.950 3.668 -7.143 1.00 . A A . 13 MET N 1 1 2 626 1 1 13 MET O O 5.848 2.978 -5.181 1.00 . A A . 13 MET O 1 1 2 627 1 1 13 MET SD S 6.917 5.449 -8.718 1.00 . A A . 13 MET SD 1 1 2 628 1 1 14 LYS C C 4.442 1.892 -2.947 1.00 . A A . 14 LYS C 1 1 2 629 1 1 14 LYS CA C 4.053 1.080 -4.178 1.00 . A A . 14 LYS CA 1 1 2 630 1 1 14 LYS CB C 5.112 0.008 -4.474 1.00 . A A . 14 LYS CB 1 1 2 631 1 1 14 LYS CD C 7.553 -0.562 -4.279 1.00 . A A . 14 LYS CD 1 1 2 632 1 1 14 LYS CE C 8.053 -0.517 -2.844 1.00 . A A . 14 LYS CE 1 1 2 633 1 1 14 LYS CG C 6.537 0.537 -4.549 1.00 . A A . 14 LYS CG 1 1 2 634 1 1 14 LYS H H 3.000 1.878 -5.829 1.00 . A A . 14 LYS H 1 1 2 635 1 1 14 LYS HA H 3.114 0.587 -3.975 1.00 . A A . 14 LYS HA 1 1 2 636 1 1 14 LYS HB2 H 5.073 -0.740 -3.697 1.00 . A A . 14 LYS HB2 1 1 2 637 1 1 14 LYS HB3 H 4.876 -0.458 -5.419 1.00 . A A . 14 LYS HB3 1 1 2 638 1 1 14 LYS HD2 H 7.088 -1.520 -4.457 1.00 . A A . 14 LYS HD2 1 1 2 639 1 1 14 LYS HD3 H 8.391 -0.436 -4.948 1.00 . A A . 14 LYS HD3 1 1 2 640 1 1 14 LYS HE2 H 7.295 -0.060 -2.226 1.00 . A A . 14 LYS HE2 1 1 2 641 1 1 14 LYS HE3 H 8.231 -1.528 -2.507 1.00 . A A . 14 LYS HE3 1 1 2 642 1 1 14 LYS HG2 H 6.711 0.937 -5.536 1.00 . A A . 14 LYS HG2 1 1 2 643 1 1 14 LYS HG3 H 6.663 1.318 -3.814 1.00 . A A . 14 LYS HG3 1 1 2 644 1 1 14 LYS HZ1 H 9.156 1.249 -3.018 1.00 . A A . 14 LYS HZ1 1 1 2 645 1 1 14 LYS HZ2 H 10.054 -0.152 -3.320 1.00 . A A . 14 LYS HZ2 1 1 2 646 1 1 14 LYS HZ3 H 9.642 0.260 -1.733 1.00 . A A . 14 LYS HZ3 1 1 2 647 1 1 14 LYS N N 3.848 1.942 -5.337 1.00 . A A . 14 LYS N 1 1 2 648 1 1 14 LYS NZ N 9.315 0.265 -2.720 1.00 . A A . 14 LYS NZ 1 1 2 649 1 1 14 LYS O O 5.229 1.442 -2.115 1.00 . A A . 14 LYS O 1 1 2 650 1 1 15 ASN C C 3.557 3.374 -0.424 1.00 . A A . 15 ASN C 1 1 2 651 1 1 15 ASN CA C 4.152 3.959 -1.699 1.00 . A A . 15 ASN CA 1 1 2 652 1 1 15 ASN CB C 3.586 5.358 -1.951 1.00 . A A . 15 ASN CB 1 1 2 653 1 1 15 ASN CG C 4.636 6.322 -2.467 1.00 . A A . 15 ASN CG 1 1 2 654 1 1 15 ASN H H 3.248 3.390 -3.525 1.00 . A A . 15 ASN H 1 1 2 655 1 1 15 ASN HA H 5.224 4.027 -1.586 1.00 . A A . 15 ASN HA 1 1 2 656 1 1 15 ASN HB2 H 2.794 5.293 -2.683 1.00 . A A . 15 ASN HB2 1 1 2 657 1 1 15 ASN HB3 H 3.186 5.750 -1.028 1.00 . A A . 15 ASN HB3 1 1 2 658 1 1 15 ASN HD21 H 5.770 5.982 -0.870 1.00 . A A . 15 ASN HD21 1 1 2 659 1 1 15 ASN HD22 H 6.409 7.104 -2.018 1.00 . A A . 15 ASN HD22 1 1 2 660 1 1 15 ASN N N 3.875 3.089 -2.834 1.00 . A A . 15 ASN N 1 1 2 661 1 1 15 ASN ND2 N 5.714 6.486 -1.708 1.00 . A A . 15 ASN ND2 1 1 2 662 1 1 15 ASN O O 2.520 3.831 0.058 1.00 . A A . 15 ASN O 1 1 2 663 1 1 15 ASN OD1 O 4.481 6.914 -3.536 1.00 . A A . 15 ASN OD1 1 1 2 664 1 1 16 VAL C C 3.333 2.689 2.396 1.00 . A A . 16 VAL C 1 1 2 665 1 1 16 VAL CA C 3.758 1.685 1.328 1.00 . A A . 16 VAL CA 1 1 2 666 1 1 16 VAL CB C 4.846 0.767 1.912 1.00 . A A . 16 VAL CB 1 1 2 667 1 1 16 VAL CG1 C 4.286 -0.070 3.052 1.00 . A A . 16 VAL CG1 1 1 2 668 1 1 16 VAL CG2 C 5.434 -0.124 0.827 1.00 . A A . 16 VAL CG2 1 1 2 669 1 1 16 VAL H H 5.033 2.031 -0.327 1.00 . A A . 16 VAL H 1 1 2 670 1 1 16 VAL HA H 2.908 1.074 1.070 1.00 . A A . 16 VAL HA 1 1 2 671 1 1 16 VAL HB H 5.635 1.387 2.305 1.00 . A A . 16 VAL HB 1 1 2 672 1 1 16 VAL HG11 H 3.237 -0.260 2.878 1.00 . A A . 16 VAL HG11 1 1 2 673 1 1 16 VAL HG12 H 4.406 0.465 3.983 1.00 . A A . 16 VAL HG12 1 1 2 674 1 1 16 VAL HG13 H 4.818 -1.008 3.106 1.00 . A A . 16 VAL HG13 1 1 2 675 1 1 16 VAL HG21 H 5.769 -1.052 1.266 1.00 . A A . 16 VAL HG21 1 1 2 676 1 1 16 VAL HG22 H 6.271 0.378 0.364 1.00 . A A . 16 VAL HG22 1 1 2 677 1 1 16 VAL HG23 H 4.680 -0.329 0.082 1.00 . A A . 16 VAL HG23 1 1 2 678 1 1 16 VAL N N 4.217 2.351 0.112 1.00 . A A . 16 VAL N 1 1 2 679 1 1 16 VAL O O 2.330 2.492 3.081 1.00 . A A . 16 VAL O 1 1 2 680 1 1 17 LEU C C 2.446 5.441 3.216 1.00 . A A . 17 LEU C 1 1 2 681 1 1 17 LEU CA C 3.789 4.794 3.520 1.00 . A A . 17 LEU CA 1 1 2 682 1 1 17 LEU CB C 4.890 5.856 3.550 1.00 . A A . 17 LEU CB 1 1 2 683 1 1 17 LEU CD1 C 7.358 6.124 3.903 1.00 . A A . 17 LEU CD1 1 1 2 684 1 1 17 LEU CD2 C 5.815 6.061 5.871 1.00 . A A . 17 LEU CD2 1 1 2 685 1 1 17 LEU CG C 6.073 5.536 4.466 1.00 . A A . 17 LEU CG 1 1 2 686 1 1 17 LEU H H 4.887 3.873 1.960 1.00 . A A . 17 LEU H 1 1 2 687 1 1 17 LEU HA H 3.732 4.319 4.482 1.00 . A A . 17 LEU HA 1 1 2 688 1 1 17 LEU HB2 H 5.264 5.985 2.545 1.00 . A A . 17 LEU HB2 1 1 2 689 1 1 17 LEU HB3 H 4.454 6.788 3.877 1.00 . A A . 17 LEU HB3 1 1 2 690 1 1 17 LEU HD11 H 8.199 5.529 4.229 1.00 . A A . 17 LEU HD11 1 1 2 691 1 1 17 LEU HD12 H 7.475 7.138 4.256 1.00 . A A . 17 LEU HD12 1 1 2 692 1 1 17 LEU HD13 H 7.312 6.121 2.824 1.00 . A A . 17 LEU HD13 1 1 2 693 1 1 17 LEU HD21 H 5.156 6.915 5.820 1.00 . A A . 17 LEU HD21 1 1 2 694 1 1 17 LEU HD22 H 6.751 6.355 6.322 1.00 . A A . 17 LEU HD22 1 1 2 695 1 1 17 LEU HD23 H 5.356 5.286 6.466 1.00 . A A . 17 LEU HD23 1 1 2 696 1 1 17 LEU HG H 6.195 4.464 4.526 1.00 . A A . 17 LEU HG 1 1 2 697 1 1 17 LEU N N 4.099 3.767 2.534 1.00 . A A . 17 LEU N 1 1 2 698 1 1 17 LEU O O 1.692 5.794 4.122 1.00 . A A . 17 LEU O 1 1 2 699 1 1 18 ASN C C -0.250 5.190 1.651 1.00 . A A . 18 ASN C 1 1 2 700 1 1 18 ASN CA C 0.900 6.175 1.488 1.00 . A A . 18 ASN CA 1 1 2 701 1 1 18 ASN CB C 1.004 6.614 0.027 1.00 . A A . 18 ASN CB 1 1 2 702 1 1 18 ASN CG C -0.060 7.627 -0.350 1.00 . A A . 18 ASN CG 1 1 2 703 1 1 18 ASN H H 2.801 5.271 1.267 1.00 . A A . 18 ASN H 1 1 2 704 1 1 18 ASN HA H 0.707 7.040 2.102 1.00 . A A . 18 ASN HA 1 1 2 705 1 1 18 ASN HB2 H 1.972 7.058 -0.142 1.00 . A A . 18 ASN HB2 1 1 2 706 1 1 18 ASN HB3 H 0.893 5.749 -0.611 1.00 . A A . 18 ASN HB3 1 1 2 707 1 1 18 ASN HD21 H 1.169 9.123 0.106 1.00 . A A . 18 ASN HD21 1 1 2 708 1 1 18 ASN HD22 H -0.398 9.584 -0.456 1.00 . A A . 18 ASN HD22 1 1 2 709 1 1 18 ASN N N 2.156 5.582 1.933 1.00 . A A . 18 ASN N 1 1 2 710 1 1 18 ASN ND2 N 0.270 8.907 -0.220 1.00 . A A . 18 ASN ND2 1 1 2 711 1 1 18 ASN O O -1.388 5.581 1.910 1.00 . A A . 18 ASN O 1 1 2 712 1 1 18 ASN OD1 O -1.165 7.264 -0.752 1.00 . A A . 18 ASN OD1 1 1 2 713 1 1 19 HIS C C -1.305 2.610 3.073 1.00 . A A . 19 HIS C 1 1 2 714 1 1 19 HIS CA C -0.944 2.859 1.608 1.00 . A A . 19 HIS CA 1 1 2 715 1 1 19 HIS CB C -0.438 1.572 0.937 1.00 . A A . 19 HIS CB 1 1 2 716 1 1 19 HIS CD2 C -0.479 -0.602 2.330 1.00 . A A . 19 HIS CD2 1 1 2 717 1 1 19 HIS CE1 C -2.503 -1.221 1.829 1.00 . A A . 19 HIS CE1 1 1 2 718 1 1 19 HIS CG C -1.029 0.307 1.489 1.00 . A A . 19 HIS CG 1 1 2 719 1 1 19 HIS H H 0.983 3.666 1.278 1.00 . A A . 19 HIS H 1 1 2 720 1 1 19 HIS HA H -1.827 3.196 1.090 1.00 . A A . 19 HIS HA 1 1 2 721 1 1 19 HIS HB2 H -0.672 1.610 -0.115 1.00 . A A . 19 HIS HB2 1 1 2 722 1 1 19 HIS HB3 H 0.634 1.516 1.057 1.00 . A A . 19 HIS HB3 1 1 2 723 1 1 19 HIS HD2 H 0.508 -0.568 2.761 1.00 . A A . 19 HIS HD2 1 1 2 724 1 1 19 HIS HE1 H -3.433 -1.769 1.816 1.00 . A A . 19 HIS HE1 1 1 2 725 1 1 19 HIS HE2 H -1.392 -2.263 3.237 1.00 . A A . 19 HIS HE2 1 1 2 726 1 1 19 HIS N N 0.058 3.909 1.489 1.00 . A A . 19 HIS N 1 1 2 727 1 1 19 HIS ND1 N -2.306 -0.095 1.178 1.00 . A A . 19 HIS ND1 1 1 2 728 1 1 19 HIS NE2 N -1.424 -1.573 2.541 1.00 . A A . 19 HIS NE2 1 1 2 729 1 1 19 HIS O O -2.469 2.699 3.457 1.00 . A A . 19 HIS O 1 1 2 730 1 1 20 MET C C -1.187 3.227 5.996 1.00 . A A . 20 MET C 1 1 2 731 1 1 20 MET CA C -0.531 2.035 5.304 1.00 . A A . 20 MET CA 1 1 2 732 1 1 20 MET CB C 0.788 1.689 5.998 1.00 . A A . 20 MET CB 1 1 2 733 1 1 20 MET CE C -0.566 -1.162 5.965 1.00 . A A . 20 MET CE 1 1 2 734 1 1 20 MET CG C 1.535 0.537 5.346 1.00 . A A . 20 MET CG 1 1 2 735 1 1 20 MET H H 0.606 2.239 3.527 1.00 . A A . 20 MET H 1 1 2 736 1 1 20 MET HA H -1.196 1.189 5.376 1.00 . A A . 20 MET HA 1 1 2 737 1 1 20 MET HB2 H 1.428 2.559 5.982 1.00 . A A . 20 MET HB2 1 1 2 738 1 1 20 MET HB3 H 0.583 1.423 7.024 1.00 . A A . 20 MET HB3 1 1 2 739 1 1 20 MET HE1 H -1.043 -0.411 6.576 1.00 . A A . 20 MET HE1 1 1 2 740 1 1 20 MET HE2 H -0.896 -2.143 6.275 1.00 . A A . 20 MET HE2 1 1 2 741 1 1 20 MET HE3 H -0.830 -1.005 4.929 1.00 . A A . 20 MET HE3 1 1 2 742 1 1 20 MET HG2 H 1.229 0.466 4.313 1.00 . A A . 20 MET HG2 1 1 2 743 1 1 20 MET HG3 H 2.594 0.739 5.394 1.00 . A A . 20 MET HG3 1 1 2 744 1 1 20 MET N N -0.304 2.297 3.886 1.00 . A A . 20 MET N 1 1 2 745 1 1 20 MET O O -1.795 3.079 7.057 1.00 . A A . 20 MET O 1 1 2 746 1 1 20 MET SD S 1.211 -1.044 6.153 1.00 . A A . 20 MET SD 1 1 2 747 1 1 21 THR C C -3.167 5.504 6.053 1.00 . A A . 21 THR C 1 1 2 748 1 1 21 THR CA C -1.647 5.615 5.964 1.00 . A A . 21 THR CA 1 1 2 749 1 1 21 THR CB C -1.248 6.835 5.126 1.00 . A A . 21 THR CB 1 1 2 750 1 1 21 THR CG2 C -2.207 7.146 3.993 1.00 . A A . 21 THR CG2 1 1 2 751 1 1 21 THR H H -0.567 4.465 4.554 1.00 . A A . 21 THR H 1 1 2 752 1 1 21 THR HA H -1.252 5.732 6.960 1.00 . A A . 21 THR HA 1 1 2 753 1 1 21 THR HB H -0.278 6.649 4.691 1.00 . A A . 21 THR HB 1 1 2 754 1 1 21 THR HG1 H -0.524 8.604 5.552 1.00 . A A . 21 THR HG1 1 1 2 755 1 1 21 THR HG21 H -2.958 7.841 4.338 1.00 . A A . 21 THR HG21 1 1 2 756 1 1 21 THR HG22 H -2.683 6.234 3.664 1.00 . A A . 21 THR HG22 1 1 2 757 1 1 21 THR HG23 H -1.662 7.584 3.170 1.00 . A A . 21 THR HG23 1 1 2 758 1 1 21 THR N N -1.063 4.405 5.396 1.00 . A A . 21 THR N 1 1 2 759 1 1 21 THR O O -3.798 6.143 6.895 1.00 . A A . 21 THR O 1 1 2 760 1 1 21 THR OG1 O -1.155 7.992 5.937 1.00 . A A . 21 THR OG1 1 1 2 761 1 1 22 HIS C C -5.586 3.045 5.229 1.00 . A A . 22 HIS C 1 1 2 762 1 1 22 HIS CA C -5.197 4.515 5.145 1.00 . A A . 22 HIS CA 1 1 2 763 1 1 22 HIS CB C -5.787 5.117 3.867 1.00 . A A . 22 HIS CB 1 1 2 764 1 1 22 HIS CD2 C -4.683 3.459 2.176 1.00 . A A . 22 HIS CD2 1 1 2 765 1 1 22 HIS CE1 C -4.166 4.911 0.621 1.00 . A A . 22 HIS CE1 1 1 2 766 1 1 22 HIS CG C -5.097 4.683 2.605 1.00 . A A . 22 HIS CG 1 1 2 767 1 1 22 HIS H H -3.186 4.224 4.522 1.00 . A A . 22 HIS H 1 1 2 768 1 1 22 HIS HA H -5.611 5.032 5.996 1.00 . A A . 22 HIS HA 1 1 2 769 1 1 22 HIS HB2 H -6.825 4.829 3.790 1.00 . A A . 22 HIS HB2 1 1 2 770 1 1 22 HIS HB3 H -5.724 6.194 3.926 1.00 . A A . 22 HIS HB3 1 1 2 771 1 1 22 HIS HD1 H -4.922 6.532 1.612 1.00 . A A . 22 HIS HD1 1 1 2 772 1 1 22 HIS HD2 H -4.791 2.513 2.697 1.00 . A A . 22 HIS HD2 1 1 2 773 1 1 22 HIS HE1 H -3.801 5.345 -0.300 1.00 . A A . 22 HIS HE1 1 1 2 774 1 1 22 HIS HE2 H -3.516 2.987 0.515 1.00 . A A . 22 HIS HE2 1 1 2 775 1 1 22 HIS N N -3.746 4.698 5.172 1.00 . A A . 22 HIS N 1 1 2 776 1 1 22 HIS ND1 N -4.756 5.566 1.604 1.00 . A A . 22 HIS ND1 1 1 2 777 1 1 22 HIS NE2 N -4.107 3.634 0.944 1.00 . A A . 22 HIS NE2 1 1 2 778 1 1 22 HIS O O -6.693 2.710 5.651 1.00 . A A . 22 HIS O 1 1 2 779 1 1 23 CYS C C -4.364 0.079 6.024 1.00 . A A . 23 CYS C 1 1 2 780 1 1 23 CYS CA C -4.948 0.755 4.787 1.00 . A A . 23 CYS CA 1 1 2 781 1 1 23 CYS CB C -4.339 0.171 3.522 1.00 . A A . 23 CYS CB 1 1 2 782 1 1 23 CYS H H -3.836 2.493 4.445 1.00 . A A . 23 CYS H 1 1 2 783 1 1 23 CYS HA H -6.016 0.604 4.769 1.00 . A A . 23 CYS HA 1 1 2 784 1 1 23 CYS HB2 H -3.525 0.804 3.205 1.00 . A A . 23 CYS HB2 1 1 2 785 1 1 23 CYS HB3 H -3.955 -0.806 3.738 1.00 . A A . 23 CYS HB3 1 1 2 786 1 1 23 CYS N N -4.689 2.174 4.795 1.00 . A A . 23 CYS N 1 1 2 787 1 1 23 CYS O O -3.719 0.725 6.850 1.00 . A A . 23 CYS O 1 1 2 788 1 1 23 CYS SG S -5.499 0.032 2.120 1.00 . A A . 23 CYS SG 1 1 2 789 1 1 24 GLN C C -3.472 -3.304 6.823 1.00 . A A . 24 GLN C 1 1 2 790 1 1 24 GLN CA C -4.089 -1.987 7.281 1.00 . A A . 24 GLN CA 1 1 2 791 1 1 24 GLN CB C -5.215 -2.258 8.281 1.00 . A A . 24 GLN CB 1 1 2 792 1 1 24 GLN CD C -7.691 -2.759 8.285 1.00 . A A . 24 GLN CD 1 1 2 793 1 1 24 GLN CG C -6.332 -3.122 7.718 1.00 . A A . 24 GLN CG 1 1 2 794 1 1 24 GLN H H -5.114 -1.685 5.454 1.00 . A A . 24 GLN H 1 1 2 795 1 1 24 GLN HA H -3.326 -1.395 7.765 1.00 . A A . 24 GLN HA 1 1 2 796 1 1 24 GLN HB2 H -4.802 -2.759 9.144 1.00 . A A . 24 GLN HB2 1 1 2 797 1 1 24 GLN HB3 H -5.640 -1.315 8.591 1.00 . A A . 24 GLN HB3 1 1 2 798 1 1 24 GLN HE21 H -8.577 -3.358 6.608 1.00 . A A . 24 GLN HE21 1 1 2 799 1 1 24 GLN HE22 H -9.628 -2.753 7.839 1.00 . A A . 24 GLN HE22 1 1 2 800 1 1 24 GLN HG2 H -6.361 -2.998 6.646 1.00 . A A . 24 GLN HG2 1 1 2 801 1 1 24 GLN HG3 H -6.124 -4.155 7.954 1.00 . A A . 24 GLN HG3 1 1 2 802 1 1 24 GLN N N -4.593 -1.224 6.145 1.00 . A A . 24 GLN N 1 1 2 803 1 1 24 GLN NE2 N -8.738 -2.979 7.498 1.00 . A A . 24 GLN NE2 1 1 2 804 1 1 24 GLN O O -3.371 -3.567 5.624 1.00 . A A . 24 GLN O 1 1 2 805 1 1 24 GLN OE1 O -7.798 -2.287 9.416 1.00 . A A . 24 GLN OE1 1 1 2 806 1 1 25 ALA C C -0.954 -5.278 7.229 1.00 . A A . 25 ALA C 1 1 2 807 1 1 25 ALA CA C -2.447 -5.424 7.503 1.00 . A A . 25 ALA CA 1 1 2 808 1 1 25 ALA CB C -3.138 -6.113 6.332 1.00 . A A . 25 ALA CB 1 1 2 809 1 1 25 ALA H H -3.169 -3.850 8.722 1.00 . A A . 25 ALA H 1 1 2 810 1 1 25 ALA HA H -2.576 -6.045 8.378 1.00 . A A . 25 ALA HA 1 1 2 811 1 1 25 ALA HB1 H -3.038 -7.183 6.434 1.00 . A A . 25 ALA HB1 1 1 2 812 1 1 25 ALA HB2 H -2.682 -5.795 5.407 1.00 . A A . 25 ALA HB2 1 1 2 813 1 1 25 ALA HB3 H -4.185 -5.848 6.326 1.00 . A A . 25 ALA HB3 1 1 2 814 1 1 25 ALA N N -3.059 -4.125 7.788 1.00 . A A . 25 ALA N 1 1 2 815 1 1 25 ALA O O -0.515 -5.333 6.080 1.00 . A A . 25 ALA O 1 1 2 816 1 1 26 GLY C C 2.026 -5.534 9.308 1.00 . A A . 26 GLY C 1 1 2 817 1 1 26 GLY CA C 1.257 -4.940 8.145 1.00 . A A . 26 GLY CA 1 1 2 818 1 1 26 GLY H H -0.584 -5.056 9.183 1.00 . A A . 26 GLY H 1 1 2 819 1 1 26 GLY HA2 H 1.568 -5.430 7.234 1.00 . A A . 26 GLY HA2 1 1 2 820 1 1 26 GLY HA3 H 1.492 -3.888 8.073 1.00 . A A . 26 GLY HA3 1 1 2 821 1 1 26 GLY N N -0.178 -5.091 8.292 1.00 . A A . 26 GLY N 1 1 2 822 1 1 26 GLY O O 2.608 -6.612 9.190 1.00 . A A . 26 GLY O 1 1 2 823 1 1 27 LYS C C 2.499 -4.348 12.799 1.00 . A A . 27 LYS C 1 1 2 824 1 1 27 LYS CA C 2.730 -5.295 11.626 1.00 . A A . 27 LYS CA 1 1 2 825 1 1 27 LYS CB C 4.229 -5.418 11.343 1.00 . A A . 27 LYS CB 1 1 2 826 1 1 27 LYS CD C 6.028 -7.172 11.294 1.00 . A A . 27 LYS CD 1 1 2 827 1 1 27 LYS CE C 6.102 -8.675 11.504 1.00 . A A . 27 LYS CE 1 1 2 828 1 1 27 LYS CG C 4.900 -6.551 12.102 1.00 . A A . 27 LYS CG 1 1 2 829 1 1 27 LYS H H 1.544 -3.978 10.468 1.00 . A A . 27 LYS H 1 1 2 830 1 1 27 LYS HA H 2.340 -6.268 11.882 1.00 . A A . 27 LYS HA 1 1 2 831 1 1 27 LYS HB2 H 4.371 -5.588 10.286 1.00 . A A . 27 LYS HB2 1 1 2 832 1 1 27 LYS HB3 H 4.713 -4.493 11.619 1.00 . A A . 27 LYS HB3 1 1 2 833 1 1 27 LYS HD2 H 5.859 -6.973 10.247 1.00 . A A . 27 LYS HD2 1 1 2 834 1 1 27 LYS HD3 H 6.964 -6.727 11.601 1.00 . A A . 27 LYS HD3 1 1 2 835 1 1 27 LYS HE2 H 5.136 -9.028 11.833 1.00 . A A . 27 LYS HE2 1 1 2 836 1 1 27 LYS HE3 H 6.356 -9.145 10.565 1.00 . A A . 27 LYS HE3 1 1 2 837 1 1 27 LYS HG2 H 5.303 -6.164 13.026 1.00 . A A . 27 LYS HG2 1 1 2 838 1 1 27 LYS HG3 H 4.163 -7.312 12.319 1.00 . A A . 27 LYS HG3 1 1 2 839 1 1 27 LYS HZ1 H 6.809 -9.878 13.059 1.00 . A A . 27 LYS HZ1 1 1 2 840 1 1 27 LYS HZ2 H 7.270 -8.256 13.185 1.00 . A A . 27 LYS HZ2 1 1 2 841 1 1 27 LYS HZ3 H 8.028 -9.265 12.059 1.00 . A A . 27 LYS HZ3 1 1 2 842 1 1 27 LYS N N 2.027 -4.830 10.435 1.00 . A A . 27 LYS N 1 1 2 843 1 1 27 LYS NZ N 7.124 -9.044 12.523 1.00 . A A . 27 LYS NZ 1 1 2 844 1 1 27 LYS O O 2.308 -4.843 13.929 1.00 . A A . 27 LYS O 1 1 2 845 1 1 27 LYS OXT O 2.510 -3.119 12.577 1.00 . A A . 27 LYS OXT 1 1 2 846 2 2 1 ZN ZN ZN -4.089 0.037 0.294 1.00 . B A . 28 ZN ZN 1 1 3 847 1 1 1 GLU C C 1.293 -2.993 1.328 1.00 . A A . 1 GLU C 1 1 3 848 1 1 1 GLU CA C 2.154 -3.114 2.578 1.00 . A A . 1 GLU CA 1 1 3 849 1 1 1 GLU CB C 3.109 -4.302 2.450 1.00 . A A . 1 GLU CB 1 1 3 850 1 1 1 GLU CD C 5.235 -5.404 3.254 1.00 . A A . 1 GLU CD 1 1 3 851 1 1 1 GLU CG C 4.379 -4.153 3.272 1.00 . A A . 1 GLU CG 1 1 3 852 1 1 1 GLU H1 H 0.617 -4.045 3.581 1.00 . A A . 1 GLU H1 1 1 3 853 1 1 1 GLU H2 H 0.854 -2.398 4.002 1.00 . A A . 1 GLU H2 1 1 3 854 1 1 1 GLU H3 H 1.945 -3.595 4.567 1.00 . A A . 1 GLU H3 1 1 3 855 1 1 1 GLU HA H 2.727 -2.206 2.693 1.00 . A A . 1 GLU HA 1 1 3 856 1 1 1 GLU HB2 H 2.598 -5.197 2.776 1.00 . A A . 1 GLU HB2 1 1 3 857 1 1 1 GLU HB3 H 3.388 -4.415 1.413 1.00 . A A . 1 GLU HB3 1 1 3 858 1 1 1 GLU HG2 H 4.957 -3.334 2.871 1.00 . A A . 1 GLU HG2 1 1 3 859 1 1 1 GLU HG3 H 4.107 -3.935 4.294 1.00 . A A . 1 GLU HG3 1 1 3 860 1 1 1 GLU N N 1.317 -3.305 3.792 1.00 . A A . 1 GLU N 1 1 3 861 1 1 1 GLU O O 0.395 -3.802 1.094 1.00 . A A . 1 GLU O 1 1 3 862 1 1 1 GLU OE1 O 4.721 -6.481 3.622 1.00 . A A . 1 GLU OE1 1 1 3 863 1 1 1 GLU OE2 O 6.420 -5.307 2.871 1.00 . A A . 1 GLU OE2 1 1 3 864 1 1 2 VAL C C 0.915 -2.925 -1.640 1.00 . A A . 2 VAL C 1 1 3 865 1 1 2 VAL CA C 0.838 -1.727 -0.698 1.00 . A A . 2 VAL CA 1 1 3 866 1 1 2 VAL CB C 1.370 -0.472 -1.418 1.00 . A A . 2 VAL CB 1 1 3 867 1 1 2 VAL CG1 C 2.767 -0.716 -1.972 1.00 . A A . 2 VAL CG1 1 1 3 868 1 1 2 VAL CG2 C 0.415 -0.039 -2.520 1.00 . A A . 2 VAL CG2 1 1 3 869 1 1 2 VAL H H 2.305 -1.363 0.777 1.00 . A A . 2 VAL H 1 1 3 870 1 1 2 VAL HA H -0.196 -1.554 -0.436 1.00 . A A . 2 VAL HA 1 1 3 871 1 1 2 VAL HB H 1.435 0.326 -0.692 1.00 . A A . 2 VAL HB 1 1 3 872 1 1 2 VAL HG11 H 3.231 -1.531 -1.435 1.00 . A A . 2 VAL HG11 1 1 3 873 1 1 2 VAL HG12 H 3.362 0.177 -1.853 1.00 . A A . 2 VAL HG12 1 1 3 874 1 1 2 VAL HG13 H 2.700 -0.968 -3.020 1.00 . A A . 2 VAL HG13 1 1 3 875 1 1 2 VAL HG21 H -0.324 -0.810 -2.681 1.00 . A A . 2 VAL HG21 1 1 3 876 1 1 2 VAL HG22 H 0.968 0.125 -3.434 1.00 . A A . 2 VAL HG22 1 1 3 877 1 1 2 VAL HG23 H -0.078 0.877 -2.230 1.00 . A A . 2 VAL HG23 1 1 3 878 1 1 2 VAL N N 1.577 -1.972 0.531 1.00 . A A . 2 VAL N 1 1 3 879 1 1 2 VAL O O -0.012 -3.187 -2.406 1.00 . A A . 2 VAL O 1 1 3 880 1 1 3 ARG C C 1.227 -5.917 -2.080 1.00 . A A . 3 ARG C 1 1 3 881 1 1 3 ARG CA C 2.228 -4.818 -2.422 1.00 . A A . 3 ARG CA 1 1 3 882 1 1 3 ARG CB C 3.655 -5.347 -2.266 1.00 . A A . 3 ARG CB 1 1 3 883 1 1 3 ARG CD C 5.605 -5.995 -3.714 1.00 . A A . 3 ARG CD 1 1 3 884 1 1 3 ARG CG C 4.122 -6.192 -3.440 1.00 . A A . 3 ARG CG 1 1 3 885 1 1 3 ARG CZ C 5.500 -5.441 -6.113 1.00 . A A . 3 ARG CZ 1 1 3 886 1 1 3 ARG H H 2.731 -3.389 -0.945 1.00 . A A . 3 ARG H 1 1 3 887 1 1 3 ARG HA H 2.076 -4.516 -3.447 1.00 . A A . 3 ARG HA 1 1 3 888 1 1 3 ARG HB2 H 4.328 -4.509 -2.164 1.00 . A A . 3 ARG HB2 1 1 3 889 1 1 3 ARG HB3 H 3.708 -5.951 -1.373 1.00 . A A . 3 ARG HB3 1 1 3 890 1 1 3 ARG HD2 H 5.877 -4.986 -3.443 1.00 . A A . 3 ARG HD2 1 1 3 891 1 1 3 ARG HD3 H 6.165 -6.693 -3.109 1.00 . A A . 3 ARG HD3 1 1 3 892 1 1 3 ARG HE H 6.513 -6.975 -5.336 1.00 . A A . 3 ARG HE 1 1 3 893 1 1 3 ARG HG2 H 3.943 -7.233 -3.216 1.00 . A A . 3 ARG HG2 1 1 3 894 1 1 3 ARG HG3 H 3.562 -5.910 -4.320 1.00 . A A . 3 ARG HG3 1 1 3 895 1 1 3 ARG HH11 H 4.450 -4.192 -4.917 1.00 . A A . 3 ARG HH11 1 1 3 896 1 1 3 ARG HH12 H 4.392 -3.823 -6.608 1.00 . A A . 3 ARG HH12 1 1 3 897 1 1 3 ARG HH21 H 6.438 -6.492 -7.561 1.00 . A A . 3 ARG HH21 1 1 3 898 1 1 3 ARG HH22 H 5.521 -5.129 -8.109 1.00 . A A . 3 ARG HH22 1 1 3 899 1 1 3 ARG N N 2.028 -3.648 -1.576 1.00 . A A . 3 ARG N 1 1 3 900 1 1 3 ARG NE N 5.936 -6.213 -5.120 1.00 . A A . 3 ARG NE 1 1 3 901 1 1 3 ARG NH1 N 4.716 -4.400 -5.858 1.00 . A A . 3 ARG NH1 1 1 3 902 1 1 3 ARG NH2 N 5.848 -5.709 -7.363 1.00 . A A . 3 ARG NH2 1 1 3 903 1 1 3 ARG O O 0.881 -6.740 -2.928 1.00 . A A . 3 ARG O 1 1 3 904 1 1 4 ALA C C -1.622 -6.381 -0.379 1.00 . A A . 4 ALA C 1 1 3 905 1 1 4 ALA CA C -0.196 -6.928 -0.385 1.00 . A A . 4 ALA CA 1 1 3 906 1 1 4 ALA CB C 0.181 -7.437 0.998 1.00 . A A . 4 ALA CB 1 1 3 907 1 1 4 ALA H H 1.076 -5.246 -0.201 1.00 . A A . 4 ALA H 1 1 3 908 1 1 4 ALA HA H -0.149 -7.757 -1.071 1.00 . A A . 4 ALA HA 1 1 3 909 1 1 4 ALA HB1 H -0.346 -6.866 1.748 1.00 . A A . 4 ALA HB1 1 1 3 910 1 1 4 ALA HB2 H 1.245 -7.328 1.144 1.00 . A A . 4 ALA HB2 1 1 3 911 1 1 4 ALA HB3 H -0.090 -8.479 1.083 1.00 . A A . 4 ALA HB3 1 1 3 912 1 1 4 ALA N N 0.764 -5.926 -0.833 1.00 . A A . 4 ALA N 1 1 3 913 1 1 4 ALA O O -2.566 -7.096 -0.043 1.00 . A A . 4 ALA O 1 1 3 914 1 1 5 CYS C C -3.890 -4.972 -1.997 1.00 . A A . 5 CYS C 1 1 3 915 1 1 5 CYS CA C -3.091 -4.489 -0.793 1.00 . A A . 5 CYS CA 1 1 3 916 1 1 5 CYS CB C -2.967 -2.969 -0.851 1.00 . A A . 5 CYS CB 1 1 3 917 1 1 5 CYS H H -0.992 -4.595 -1.016 1.00 . A A . 5 CYS H 1 1 3 918 1 1 5 CYS HA H -3.614 -4.760 0.112 1.00 . A A . 5 CYS HA 1 1 3 919 1 1 5 CYS HB2 H -2.228 -2.645 -0.139 1.00 . A A . 5 CYS HB2 1 1 3 920 1 1 5 CYS HB3 H -2.658 -2.676 -1.843 1.00 . A A . 5 CYS HB3 1 1 3 921 1 1 5 CYS N N -1.776 -5.116 -0.755 1.00 . A A . 5 CYS N 1 1 3 922 1 1 5 CYS O O -3.326 -5.478 -2.967 1.00 . A A . 5 CYS O 1 1 3 923 1 1 5 CYS SG S -4.519 -2.098 -0.474 1.00 . A A . 5 CYS SG 1 1 3 924 1 1 6 SER C C -6.861 -3.996 -3.559 1.00 . A A . 6 SER C 1 1 3 925 1 1 6 SER CA C -6.081 -5.197 -3.027 1.00 . A A . 6 SER CA 1 1 3 926 1 1 6 SER CB C -7.051 -6.284 -2.560 1.00 . A A . 6 SER CB 1 1 3 927 1 1 6 SER H H -5.595 -4.378 -1.141 1.00 . A A . 6 SER H 1 1 3 928 1 1 6 SER HA H -5.465 -5.592 -3.821 1.00 . A A . 6 SER HA 1 1 3 929 1 1 6 SER HB2 H -7.836 -6.403 -3.292 1.00 . A A . 6 SER HB2 1 1 3 930 1 1 6 SER HB3 H -6.516 -7.217 -2.451 1.00 . A A . 6 SER HB3 1 1 3 931 1 1 6 SER HG H -8.527 -5.617 -1.459 1.00 . A A . 6 SER HG 1 1 3 932 1 1 6 SER N N -5.205 -4.796 -1.936 1.00 . A A . 6 SER N 1 1 3 933 1 1 6 SER O O -7.909 -4.154 -4.186 1.00 . A A . 6 SER O 1 1 3 934 1 1 6 SER OG O -7.636 -5.945 -1.315 1.00 . A A . 6 SER OG 1 1 3 935 1 1 7 LEU C C -6.266 -0.954 -4.945 1.00 . A A . 7 LEU C 1 1 3 936 1 1 7 LEU CA C -7.003 -1.570 -3.755 1.00 . A A . 7 LEU CA 1 1 3 937 1 1 7 LEU CB C -7.078 -0.554 -2.613 1.00 . A A . 7 LEU CB 1 1 3 938 1 1 7 LEU CD1 C -7.268 -0.547 -0.108 1.00 . A A . 7 LEU CD1 1 1 3 939 1 1 7 LEU CD2 C -9.331 -0.432 -1.522 1.00 . A A . 7 LEU CD2 1 1 3 940 1 1 7 LEU CG C -7.920 -0.990 -1.411 1.00 . A A . 7 LEU CG 1 1 3 941 1 1 7 LEU H H -5.507 -2.726 -2.796 1.00 . A A . 7 LEU H 1 1 3 942 1 1 7 LEU HA H -8.005 -1.829 -4.057 1.00 . A A . 7 LEU HA 1 1 3 943 1 1 7 LEU HB2 H -6.073 -0.353 -2.271 1.00 . A A . 7 LEU HB2 1 1 3 944 1 1 7 LEU HB3 H -7.496 0.361 -3.003 1.00 . A A . 7 LEU HB3 1 1 3 945 1 1 7 LEU HD11 H -6.940 -1.416 0.443 1.00 . A A . 7 LEU HD11 1 1 3 946 1 1 7 LEU HD12 H -7.982 0.006 0.484 1.00 . A A . 7 LEU HD12 1 1 3 947 1 1 7 LEU HD13 H -6.417 0.083 -0.325 1.00 . A A . 7 LEU HD13 1 1 3 948 1 1 7 LEU HD21 H -9.306 0.640 -1.387 1.00 . A A . 7 LEU HD21 1 1 3 949 1 1 7 LEU HD22 H -9.955 -0.875 -0.760 1.00 . A A . 7 LEU HD22 1 1 3 950 1 1 7 LEU HD23 H -9.734 -0.662 -2.497 1.00 . A A . 7 LEU HD23 1 1 3 951 1 1 7 LEU HG H -7.986 -2.068 -1.400 1.00 . A A . 7 LEU HG 1 1 3 952 1 1 7 LEU N N -6.346 -2.793 -3.302 1.00 . A A . 7 LEU N 1 1 3 953 1 1 7 LEU O O -5.057 -0.730 -4.884 1.00 . A A . 7 LEU O 1 1 3 954 1 1 8 PRO C C -5.788 1.318 -6.966 1.00 . A A . 8 PRO C 1 1 3 955 1 1 8 PRO CA C -6.382 -0.062 -7.245 1.00 . A A . 8 PRO CA 1 1 3 956 1 1 8 PRO CB C -7.553 0.056 -8.229 1.00 . A A . 8 PRO CB 1 1 3 957 1 1 8 PRO CD C -8.430 -0.886 -6.217 1.00 . A A . 8 PRO CD 1 1 3 958 1 1 8 PRO CG C -8.600 -0.868 -7.708 1.00 . A A . 8 PRO CG 1 1 3 959 1 1 8 PRO HA H -5.619 -0.701 -7.664 1.00 . A A . 8 PRO HA 1 1 3 960 1 1 8 PRO HB2 H -7.906 1.077 -8.251 1.00 . A A . 8 PRO HB2 1 1 3 961 1 1 8 PRO HB3 H -7.227 -0.236 -9.216 1.00 . A A . 8 PRO HB3 1 1 3 962 1 1 8 PRO HD2 H -9.002 -0.091 -5.761 1.00 . A A . 8 PRO HD2 1 1 3 963 1 1 8 PRO HD3 H -8.722 -1.844 -5.816 1.00 . A A . 8 PRO HD3 1 1 3 964 1 1 8 PRO HG2 H -9.580 -0.498 -7.969 1.00 . A A . 8 PRO HG2 1 1 3 965 1 1 8 PRO HG3 H -8.450 -1.858 -8.114 1.00 . A A . 8 PRO HG3 1 1 3 966 1 1 8 PRO N N -6.984 -0.662 -6.048 1.00 . A A . 8 PRO N 1 1 3 967 1 1 8 PRO O O -4.992 1.831 -7.753 1.00 . A A . 8 PRO O 1 1 3 968 1 1 9 HIS C C -4.247 3.144 -4.972 1.00 . A A . 9 HIS C 1 1 3 969 1 1 9 HIS CA C -5.684 3.232 -5.460 1.00 . A A . 9 HIS CA 1 1 3 970 1 1 9 HIS CB C -6.557 3.829 -4.355 1.00 . A A . 9 HIS CB 1 1 3 971 1 1 9 HIS CD2 C -5.302 5.964 -3.593 1.00 . A A . 9 HIS CD2 1 1 3 972 1 1 9 HIS CE1 C -6.781 7.452 -4.228 1.00 . A A . 9 HIS CE1 1 1 3 973 1 1 9 HIS CG C -6.338 5.295 -4.151 1.00 . A A . 9 HIS CG 1 1 3 974 1 1 9 HIS H H -6.812 1.455 -5.254 1.00 . A A . 9 HIS H 1 1 3 975 1 1 9 HIS HA H -5.724 3.871 -6.328 1.00 . A A . 9 HIS HA 1 1 3 976 1 1 9 HIS HB2 H -7.597 3.677 -4.602 1.00 . A A . 9 HIS HB2 1 1 3 977 1 1 9 HIS HB3 H -6.335 3.329 -3.421 1.00 . A A . 9 HIS HB3 1 1 3 978 1 1 9 HIS HD1 H -8.109 6.086 -4.976 1.00 . A A . 9 HIS HD1 1 1 3 979 1 1 9 HIS HD2 H -4.405 5.524 -3.177 1.00 . A A . 9 HIS HD2 1 1 3 980 1 1 9 HIS HE1 H -7.279 8.392 -4.413 1.00 . A A . 9 HIS HE1 1 1 3 981 1 1 9 HIS HE2 H -4.998 8.033 -3.404 1.00 . A A . 9 HIS HE2 1 1 3 982 1 1 9 HIS N N -6.178 1.913 -5.842 1.00 . A A . 9 HIS N 1 1 3 983 1 1 9 HIS ND1 N -7.249 6.256 -4.538 1.00 . A A . 9 HIS ND1 1 1 3 984 1 1 9 HIS NE2 N -5.602 7.302 -3.653 1.00 . A A . 9 HIS NE2 1 1 3 985 1 1 9 HIS O O -3.354 3.808 -5.498 1.00 . A A . 9 HIS O 1 1 3 986 1 1 10 CYS C C -1.746 1.581 -4.423 1.00 . A A . 10 CYS C 1 1 3 987 1 1 10 CYS CA C -2.717 2.127 -3.382 1.00 . A A . 10 CYS CA 1 1 3 988 1 1 10 CYS CB C -2.794 1.177 -2.185 1.00 . A A . 10 CYS CB 1 1 3 989 1 1 10 CYS H H -4.797 1.819 -3.590 1.00 . A A . 10 CYS H 1 1 3 990 1 1 10 CYS HA H -2.361 3.089 -3.045 1.00 . A A . 10 CYS HA 1 1 3 991 1 1 10 CYS HB2 H -2.835 0.161 -2.546 1.00 . A A . 10 CYS HB2 1 1 3 992 1 1 10 CYS HB3 H -1.908 1.302 -1.579 1.00 . A A . 10 CYS HB3 1 1 3 993 1 1 10 CYS N N -4.039 2.317 -3.959 1.00 . A A . 10 CYS N 1 1 3 994 1 1 10 CYS O O -0.537 1.788 -4.326 1.00 . A A . 10 CYS O 1 1 3 995 1 1 10 CYS SG S -4.244 1.440 -1.110 1.00 . A A . 10 CYS SG 1 1 3 996 1 1 11 ARG C C -1.055 1.396 -7.483 1.00 . A A . 11 ARG C 1 1 3 997 1 1 11 ARG CA C -1.460 0.319 -6.483 1.00 . A A . 11 ARG CA 1 1 3 998 1 1 11 ARG CB C -2.214 -0.803 -7.198 1.00 . A A . 11 ARG CB 1 1 3 999 1 1 11 ARG CD C -1.176 -1.558 -9.360 1.00 . A A . 11 ARG CD 1 1 3 1000 1 1 11 ARG CG C -1.302 -1.819 -7.868 1.00 . A A . 11 ARG CG 1 1 3 1001 1 1 11 ARG CZ C -0.726 -2.888 -11.385 1.00 . A A . 11 ARG CZ 1 1 3 1002 1 1 11 ARG H H -3.257 0.759 -5.449 1.00 . A A . 11 ARG H 1 1 3 1003 1 1 11 ARG HA H -0.570 -0.088 -6.028 1.00 . A A . 11 ARG HA 1 1 3 1004 1 1 11 ARG HB2 H -2.829 -1.324 -6.478 1.00 . A A . 11 ARG HB2 1 1 3 1005 1 1 11 ARG HB3 H -2.851 -0.369 -7.954 1.00 . A A . 11 ARG HB3 1 1 3 1006 1 1 11 ARG HD2 H -2.011 -0.951 -9.678 1.00 . A A . 11 ARG HD2 1 1 3 1007 1 1 11 ARG HD3 H -0.255 -1.025 -9.543 1.00 . A A . 11 ARG HD3 1 1 3 1008 1 1 11 ARG HE H -1.514 -3.605 -9.698 1.00 . A A . 11 ARG HE 1 1 3 1009 1 1 11 ARG HG2 H -0.322 -1.758 -7.419 1.00 . A A . 11 ARG HG2 1 1 3 1010 1 1 11 ARG HG3 H -1.709 -2.808 -7.717 1.00 . A A . 11 ARG HG3 1 1 3 1011 1 1 11 ARG HH11 H -0.228 -0.933 -11.539 1.00 . A A . 11 ARG HH11 1 1 3 1012 1 1 11 ARG HH12 H 0.079 -1.890 -12.949 1.00 . A A . 11 ARG HH12 1 1 3 1013 1 1 11 ARG HH21 H -1.111 -4.865 -11.552 1.00 . A A . 11 ARG HH21 1 1 3 1014 1 1 11 ARG HH22 H -0.423 -4.122 -12.957 1.00 . A A . 11 ARG HH22 1 1 3 1015 1 1 11 ARG N N -2.284 0.888 -5.422 1.00 . A A . 11 ARG N 1 1 3 1016 1 1 11 ARG NE N -1.170 -2.797 -10.134 1.00 . A A . 11 ARG NE 1 1 3 1017 1 1 11 ARG NH1 N -0.253 -1.815 -12.008 1.00 . A A . 11 ARG NH1 1 1 3 1018 1 1 11 ARG NH2 N -0.756 -4.054 -12.016 1.00 . A A . 11 ARG NH2 1 1 3 1019 1 1 11 ARG O O -1.707 1.581 -8.510 1.00 . A A . 11 ARG O 1 1 3 1020 1 1 12 THR C C 2.025 3.063 -8.242 1.00 . A A . 12 THR C 1 1 3 1021 1 1 12 THR CA C 0.515 3.172 -8.041 1.00 . A A . 12 THR CA 1 1 3 1022 1 1 12 THR CB C 0.157 4.537 -7.451 1.00 . A A . 12 THR CB 1 1 3 1023 1 1 12 THR CG2 C 0.663 5.702 -8.276 1.00 . A A . 12 THR CG2 1 1 3 1024 1 1 12 THR H H 0.499 1.916 -6.337 1.00 . A A . 12 THR H 1 1 3 1025 1 1 12 THR HA H 0.028 3.066 -9.000 1.00 . A A . 12 THR HA 1 1 3 1026 1 1 12 THR HB H 0.594 4.615 -6.465 1.00 . A A . 12 THR HB 1 1 3 1027 1 1 12 THR HG1 H -1.656 4.579 -8.190 1.00 . A A . 12 THR HG1 1 1 3 1028 1 1 12 THR HG21 H -0.176 6.233 -8.700 1.00 . A A . 12 THR HG21 1 1 3 1029 1 1 12 THR HG22 H 1.294 5.332 -9.071 1.00 . A A . 12 THR HG22 1 1 3 1030 1 1 12 THR HG23 H 1.231 6.370 -7.646 1.00 . A A . 12 THR HG23 1 1 3 1031 1 1 12 THR N N 0.024 2.108 -7.172 1.00 . A A . 12 THR N 1 1 3 1032 1 1 12 THR O O 2.489 2.538 -9.254 1.00 . A A . 12 THR O 1 1 3 1033 1 1 12 THR OG1 O -1.247 4.677 -7.327 1.00 . A A . 12 THR OG1 1 1 3 1034 1 1 13 MET C C 4.823 2.622 -6.250 1.00 . A A . 13 MET C 1 1 3 1035 1 1 13 MET CA C 4.243 3.517 -7.344 1.00 . A A . 13 MET CA 1 1 3 1036 1 1 13 MET CB C 4.822 4.928 -7.223 1.00 . A A . 13 MET CB 1 1 3 1037 1 1 13 MET CE C 5.213 5.575 -11.191 1.00 . A A . 13 MET CE 1 1 3 1038 1 1 13 MET CG C 4.659 5.762 -8.483 1.00 . A A . 13 MET CG 1 1 3 1039 1 1 13 MET H H 2.362 3.965 -6.488 1.00 . A A . 13 MET H 1 1 3 1040 1 1 13 MET HA H 4.514 3.109 -8.306 1.00 . A A . 13 MET HA 1 1 3 1041 1 1 13 MET HB2 H 4.326 5.440 -6.411 1.00 . A A . 13 MET HB2 1 1 3 1042 1 1 13 MET HB3 H 5.876 4.854 -6.999 1.00 . A A . 13 MET HB3 1 1 3 1043 1 1 13 MET HE1 H 5.415 4.640 -11.694 1.00 . A A . 13 MET HE1 1 1 3 1044 1 1 13 MET HE2 H 5.567 6.394 -11.799 1.00 . A A . 13 MET HE2 1 1 3 1045 1 1 13 MET HE3 H 4.149 5.676 -11.034 1.00 . A A . 13 MET HE3 1 1 3 1046 1 1 13 MET HG2 H 3.762 5.446 -8.994 1.00 . A A . 13 MET HG2 1 1 3 1047 1 1 13 MET HG3 H 4.563 6.801 -8.201 1.00 . A A . 13 MET HG3 1 1 3 1048 1 1 13 MET N N 2.788 3.561 -7.272 1.00 . A A . 13 MET N 1 1 3 1049 1 1 13 MET O O 6.039 2.551 -6.082 1.00 . A A . 13 MET O 1 1 3 1050 1 1 13 MET SD S 6.055 5.596 -9.611 1.00 . A A . 13 MET SD 1 1 3 1051 1 1 14 LYS C C 4.681 1.829 -3.156 1.00 . A A . 14 LYS C 1 1 3 1052 1 1 14 LYS CA C 4.356 1.046 -4.430 1.00 . A A . 14 LYS CA 1 1 3 1053 1 1 14 LYS CB C 5.551 0.178 -4.869 1.00 . A A . 14 LYS CB 1 1 3 1054 1 1 14 LYS CD C 8.031 0.229 -5.287 1.00 . A A . 14 LYS CD 1 1 3 1055 1 1 14 LYS CE C 9.345 0.075 -4.537 1.00 . A A . 14 LYS CE 1 1 3 1056 1 1 14 LYS CG C 6.905 0.650 -4.357 1.00 . A A . 14 LYS CG 1 1 3 1057 1 1 14 LYS H H 2.987 2.044 -5.696 1.00 . A A . 14 LYS H 1 1 3 1058 1 1 14 LYS HA H 3.520 0.396 -4.219 1.00 . A A . 14 LYS HA 1 1 3 1059 1 1 14 LYS HB2 H 5.393 -0.829 -4.513 1.00 . A A . 14 LYS HB2 1 1 3 1060 1 1 14 LYS HB3 H 5.586 0.162 -5.949 1.00 . A A . 14 LYS HB3 1 1 3 1061 1 1 14 LYS HD2 H 7.775 -0.715 -5.742 1.00 . A A . 14 LYS HD2 1 1 3 1062 1 1 14 LYS HD3 H 8.151 0.981 -6.054 1.00 . A A . 14 LYS HD3 1 1 3 1063 1 1 14 LYS HE2 H 9.832 1.037 -4.488 1.00 . A A . 14 LYS HE2 1 1 3 1064 1 1 14 LYS HE3 H 9.134 -0.273 -3.536 1.00 . A A . 14 LYS HE3 1 1 3 1065 1 1 14 LYS HG2 H 6.898 1.727 -4.280 1.00 . A A . 14 LYS HG2 1 1 3 1066 1 1 14 LYS HG3 H 7.076 0.221 -3.381 1.00 . A A . 14 LYS HG3 1 1 3 1067 1 1 14 LYS HZ1 H 10.862 -0.402 -5.891 1.00 . A A . 14 LYS HZ1 1 1 3 1068 1 1 14 LYS HZ2 H 9.701 -1.618 -5.707 1.00 . A A . 14 LYS HZ2 1 1 3 1069 1 1 14 LYS HZ3 H 10.858 -1.365 -4.499 1.00 . A A . 14 LYS HZ3 1 1 3 1070 1 1 14 LYS N N 3.943 1.942 -5.510 1.00 . A A . 14 LYS N 1 1 3 1071 1 1 14 LYS NZ N 10.255 -0.896 -5.205 1.00 . A A . 14 LYS NZ 1 1 3 1072 1 1 14 LYS O O 5.395 1.341 -2.280 1.00 . A A . 14 LYS O 1 1 3 1073 1 1 15 ASN C C 3.729 3.268 -0.650 1.00 . A A . 15 ASN C 1 1 3 1074 1 1 15 ASN CA C 4.367 3.884 -1.891 1.00 . A A . 15 ASN CA 1 1 3 1075 1 1 15 ASN CB C 3.798 5.280 -2.138 1.00 . A A . 15 ASN CB 1 1 3 1076 1 1 15 ASN CG C 2.396 5.246 -2.715 1.00 . A A . 15 ASN CG 1 1 3 1077 1 1 15 ASN H H 3.578 3.378 -3.776 1.00 . A A . 15 ASN H 1 1 3 1078 1 1 15 ASN HA H 5.433 3.960 -1.735 1.00 . A A . 15 ASN HA 1 1 3 1079 1 1 15 ASN HB2 H 3.767 5.814 -1.207 1.00 . A A . 15 ASN HB2 1 1 3 1080 1 1 15 ASN HB3 H 4.440 5.807 -2.829 1.00 . A A . 15 ASN HB3 1 1 3 1081 1 1 15 ASN HD21 H 3.050 6.040 -4.417 1.00 . A A . 15 ASN HD21 1 1 3 1082 1 1 15 ASN HD22 H 1.358 5.697 -4.350 1.00 . A A . 15 ASN HD22 1 1 3 1083 1 1 15 ASN N N 4.143 3.042 -3.055 1.00 . A A . 15 ASN N 1 1 3 1084 1 1 15 ASN ND2 N 2.254 5.707 -3.952 1.00 . A A . 15 ASN ND2 1 1 3 1085 1 1 15 ASN O O 2.672 3.708 -0.197 1.00 . A A . 15 ASN O 1 1 3 1086 1 1 15 ASN OD1 O 1.452 4.809 -2.057 1.00 . A A . 15 ASN OD1 1 1 3 1087 1 1 16 VAL C C 3.490 2.528 2.180 1.00 . A A . 16 VAL C 1 1 3 1088 1 1 16 VAL CA C 3.879 1.549 1.076 1.00 . A A . 16 VAL CA 1 1 3 1089 1 1 16 VAL CB C 4.925 0.564 1.629 1.00 . A A . 16 VAL CB 1 1 3 1090 1 1 16 VAL CG1 C 4.326 -0.285 2.740 1.00 . A A . 16 VAL CG1 1 1 3 1091 1 1 16 VAL CG2 C 5.476 -0.312 0.514 1.00 . A A . 16 VAL CG2 1 1 3 1092 1 1 16 VAL H H 5.211 1.936 -0.524 1.00 . A A . 16 VAL H 1 1 3 1093 1 1 16 VAL HA H 3.007 0.984 0.788 1.00 . A A . 16 VAL HA 1 1 3 1094 1 1 16 VAL HB H 5.739 1.136 2.044 1.00 . A A . 16 VAL HB 1 1 3 1095 1 1 16 VAL HG11 H 3.249 -0.283 2.654 1.00 . A A . 16 VAL HG11 1 1 3 1096 1 1 16 VAL HG12 H 4.610 0.124 3.699 1.00 . A A . 16 VAL HG12 1 1 3 1097 1 1 16 VAL HG13 H 4.692 -1.297 2.658 1.00 . A A . 16 VAL HG13 1 1 3 1098 1 1 16 VAL HG21 H 6.368 0.141 0.107 1.00 . A A . 16 VAL HG21 1 1 3 1099 1 1 16 VAL HG22 H 4.735 -0.412 -0.265 1.00 . A A . 16 VAL HG22 1 1 3 1100 1 1 16 VAL HG23 H 5.717 -1.288 0.910 1.00 . A A . 16 VAL HG23 1 1 3 1101 1 1 16 VAL N N 4.377 2.241 -0.110 1.00 . A A . 16 VAL N 1 1 3 1102 1 1 16 VAL O O 2.483 2.338 2.862 1.00 . A A . 16 VAL O 1 1 3 1103 1 1 17 LEU C C 2.667 5.231 3.158 1.00 . A A . 17 LEU C 1 1 3 1104 1 1 17 LEU CA C 4.023 4.575 3.380 1.00 . A A . 17 LEU CA 1 1 3 1105 1 1 17 LEU CB C 5.123 5.638 3.390 1.00 . A A . 17 LEU CB 1 1 3 1106 1 1 17 LEU CD1 C 7.595 6.010 3.575 1.00 . A A . 17 LEU CD1 1 1 3 1107 1 1 17 LEU CD2 C 6.259 5.462 5.616 1.00 . A A . 17 LEU CD2 1 1 3 1108 1 1 17 LEU CG C 6.406 5.235 4.119 1.00 . A A . 17 LEU CG 1 1 3 1109 1 1 17 LEU H H 5.081 3.674 1.781 1.00 . A A . 17 LEU H 1 1 3 1110 1 1 17 LEU HA H 4.010 4.074 4.330 1.00 . A A . 17 LEU HA 1 1 3 1111 1 1 17 LEU HB2 H 5.375 5.874 2.366 1.00 . A A . 17 LEU HB2 1 1 3 1112 1 1 17 LEU HB3 H 4.732 6.527 3.861 1.00 . A A . 17 LEU HB3 1 1 3 1113 1 1 17 LEU HD11 H 8.422 5.932 4.265 1.00 . A A . 17 LEU HD11 1 1 3 1114 1 1 17 LEU HD12 H 7.324 7.048 3.454 1.00 . A A . 17 LEU HD12 1 1 3 1115 1 1 17 LEU HD13 H 7.885 5.600 2.618 1.00 . A A . 17 LEU HD13 1 1 3 1116 1 1 17 LEU HD21 H 7.231 5.411 6.085 1.00 . A A . 17 LEU HD21 1 1 3 1117 1 1 17 LEU HD22 H 5.617 4.701 6.035 1.00 . A A . 17 LEU HD22 1 1 3 1118 1 1 17 LEU HD23 H 5.826 6.436 5.792 1.00 . A A . 17 LEU HD23 1 1 3 1119 1 1 17 LEU HG H 6.590 4.183 3.956 1.00 . A A . 17 LEU HG 1 1 3 1120 1 1 17 LEU N N 4.291 3.574 2.353 1.00 . A A . 17 LEU N 1 1 3 1121 1 1 17 LEU O O 1.961 5.564 4.109 1.00 . A A . 17 LEU O 1 1 3 1122 1 1 18 ASN C C -0.113 5.035 1.733 1.00 . A A . 18 ASN C 1 1 3 1123 1 1 18 ASN CA C 1.038 6.015 1.532 1.00 . A A . 18 ASN CA 1 1 3 1124 1 1 18 ASN CB C 1.073 6.491 0.078 1.00 . A A . 18 ASN CB 1 1 3 1125 1 1 18 ASN CG C 0.835 7.983 -0.049 1.00 . A A . 18 ASN CG 1 1 3 1126 1 1 18 ASN H H 2.921 5.111 1.190 1.00 . A A . 18 ASN H 1 1 3 1127 1 1 18 ASN HA H 0.885 6.866 2.176 1.00 . A A . 18 ASN HA 1 1 3 1128 1 1 18 ASN HB2 H 2.038 6.263 -0.346 1.00 . A A . 18 ASN HB2 1 1 3 1129 1 1 18 ASN HB3 H 0.308 5.974 -0.483 1.00 . A A . 18 ASN HB3 1 1 3 1130 1 1 18 ASN HD21 H 2.103 8.081 -1.577 1.00 . A A . 18 ASN HD21 1 1 3 1131 1 1 18 ASN HD22 H 1.368 9.574 -1.115 1.00 . A A . 18 ASN HD22 1 1 3 1132 1 1 18 ASN N N 2.312 5.405 1.896 1.00 . A A . 18 ASN N 1 1 3 1133 1 1 18 ASN ND2 N 1.503 8.609 -1.011 1.00 . A A . 18 ASN ND2 1 1 3 1134 1 1 18 ASN O O -1.245 5.437 2.001 1.00 . A A . 18 ASN O 1 1 3 1135 1 1 18 ASN OD1 O 0.059 8.566 0.709 1.00 . A A . 18 ASN OD1 1 1 3 1136 1 1 19 HIS C C -1.116 2.443 3.227 1.00 . A A . 19 HIS C 1 1 3 1137 1 1 19 HIS CA C -0.826 2.709 1.750 1.00 . A A . 19 HIS CA 1 1 3 1138 1 1 19 HIS CB C -0.372 1.425 1.038 1.00 . A A . 19 HIS CB 1 1 3 1139 1 1 19 HIS CD2 C -0.341 -0.750 2.432 1.00 . A A . 19 HIS CD2 1 1 3 1140 1 1 19 HIS CE1 C -2.381 -1.380 2.014 1.00 . A A . 19 HIS CE1 1 1 3 1141 1 1 19 HIS CG C -0.933 0.159 1.617 1.00 . A A . 19 HIS CG 1 1 3 1142 1 1 19 HIS H H 1.104 3.492 1.373 1.00 . A A . 19 HIS H 1 1 3 1143 1 1 19 HIS HA H -1.729 3.064 1.282 1.00 . A A . 19 HIS HA 1 1 3 1144 1 1 19 HIS HB2 H -0.676 1.473 0.003 1.00 . A A . 19 HIS HB2 1 1 3 1145 1 1 19 HIS HB3 H 0.705 1.362 1.085 1.00 . A A . 19 HIS HB3 1 1 3 1146 1 1 19 HIS HD2 H 0.661 -0.708 2.825 1.00 . A A . 19 HIS HD2 1 1 3 1147 1 1 19 HIS HE1 H -3.304 -1.938 2.033 1.00 . A A . 19 HIS HE1 1 1 3 1148 1 1 19 HIS HE2 H -1.204 -2.420 3.368 1.00 . A A . 19 HIS HE2 1 1 3 1149 1 1 19 HIS N N 0.184 3.748 1.593 1.00 . A A . 19 HIS N 1 1 3 1150 1 1 19 HIS ND1 N -2.220 -0.249 1.360 1.00 . A A . 19 HIS ND1 1 1 3 1151 1 1 19 HIS NE2 N -1.270 -1.727 2.678 1.00 . A A . 19 HIS NE2 1 1 3 1152 1 1 19 HIS O O -2.257 2.549 3.672 1.00 . A A . 19 HIS O 1 1 3 1153 1 1 20 MET C C -0.870 3.002 6.141 1.00 . A A . 20 MET C 1 1 3 1154 1 1 20 MET CA C -0.246 1.816 5.408 1.00 . A A . 20 MET CA 1 1 3 1155 1 1 20 MET CB C 1.101 1.461 6.038 1.00 . A A . 20 MET CB 1 1 3 1156 1 1 20 MET CE C 2.195 2.424 9.192 1.00 . A A . 20 MET CE 1 1 3 1157 1 1 20 MET CG C 0.978 0.732 7.366 1.00 . A A . 20 MET CG 1 1 3 1158 1 1 20 MET H H 0.807 2.025 3.580 1.00 . A A . 20 MET H 1 1 3 1159 1 1 20 MET HA H -0.910 0.972 5.500 1.00 . A A . 20 MET HA 1 1 3 1160 1 1 20 MET HB2 H 1.650 0.830 5.355 1.00 . A A . 20 MET HB2 1 1 3 1161 1 1 20 MET HB3 H 1.660 2.371 6.202 1.00 . A A . 20 MET HB3 1 1 3 1162 1 1 20 MET HE1 H 1.241 2.402 9.697 1.00 . A A . 20 MET HE1 1 1 3 1163 1 1 20 MET HE2 H 2.198 3.220 8.462 1.00 . A A . 20 MET HE2 1 1 3 1164 1 1 20 MET HE3 H 2.981 2.595 9.913 1.00 . A A . 20 MET HE3 1 1 3 1165 1 1 20 MET HG2 H 0.154 1.156 7.920 1.00 . A A . 20 MET HG2 1 1 3 1166 1 1 20 MET HG3 H 0.779 -0.312 7.171 1.00 . A A . 20 MET HG3 1 1 3 1167 1 1 20 MET N N -0.083 2.097 3.984 1.00 . A A . 20 MET N 1 1 3 1168 1 1 20 MET O O -1.443 2.843 7.218 1.00 . A A . 20 MET O 1 1 3 1169 1 1 20 MET SD S 2.471 0.858 8.369 1.00 . A A . 20 MET SD 1 1 3 1170 1 1 21 THR C C -2.829 5.303 6.271 1.00 . A A . 21 THR C 1 1 3 1171 1 1 21 THR CA C -1.310 5.393 6.154 1.00 . A A . 21 THR CA 1 1 3 1172 1 1 21 THR CB C -0.910 6.620 5.327 1.00 . A A . 21 THR CB 1 1 3 1173 1 1 21 THR CG2 C -1.874 6.946 4.202 1.00 . A A . 21 THR CG2 1 1 3 1174 1 1 21 THR H H -0.288 4.254 4.695 1.00 . A A . 21 THR H 1 1 3 1175 1 1 21 THR HA H -0.893 5.488 7.143 1.00 . A A . 21 THR HA 1 1 3 1176 1 1 21 THR HB H 0.056 6.434 4.885 1.00 . A A . 21 THR HB 1 1 3 1177 1 1 21 THR HG1 H 0.116 7.997 6.267 1.00 . A A . 21 THR HG1 1 1 3 1178 1 1 21 THR HG21 H -2.621 7.639 4.557 1.00 . A A . 21 THR HG21 1 1 3 1179 1 1 21 THR HG22 H -2.355 6.039 3.867 1.00 . A A . 21 THR HG22 1 1 3 1180 1 1 21 THR HG23 H -1.331 7.390 3.381 1.00 . A A . 21 THR HG23 1 1 3 1181 1 1 21 THR N N -0.756 4.187 5.553 1.00 . A A . 21 THR N 1 1 3 1182 1 1 21 THR O O -3.435 5.940 7.132 1.00 . A A . 21 THR O 1 1 3 1183 1 1 21 THR OG1 O -0.809 7.769 6.150 1.00 . A A . 21 THR OG1 1 1 3 1184 1 1 22 HIS C C -5.305 2.890 5.449 1.00 . A A . 22 HIS C 1 1 3 1185 1 1 22 HIS CA C -4.890 4.355 5.389 1.00 . A A . 22 HIS CA 1 1 3 1186 1 1 22 HIS CB C -5.497 4.997 4.139 1.00 . A A . 22 HIS CB 1 1 3 1187 1 1 22 HIS CD2 C -4.490 3.284 2.441 1.00 . A A . 22 HIS CD2 1 1 3 1188 1 1 22 HIS CE1 C -4.135 4.672 0.785 1.00 . A A . 22 HIS CE1 1 1 3 1189 1 1 22 HIS CG C -4.900 4.518 2.846 1.00 . A A . 22 HIS CG 1 1 3 1190 1 1 22 HIS H H -2.895 4.043 4.724 1.00 . A A . 22 HIS H 1 1 3 1191 1 1 22 HIS HA H -5.278 4.860 6.260 1.00 . A A . 22 HIS HA 1 1 3 1192 1 1 22 HIS HB2 H -6.554 4.781 4.112 1.00 . A A . 22 HIS HB2 1 1 3 1193 1 1 22 HIS HB3 H -5.357 6.067 4.192 1.00 . A A . 22 HIS HB3 1 1 3 1194 1 1 22 HIS HD1 H -4.851 6.322 1.759 1.00 . A A . 22 HIS HD1 1 1 3 1195 1 1 22 HIS HD2 H -4.534 2.362 3.010 1.00 . A A . 22 HIS HD2 1 1 3 1196 1 1 22 HIS HE1 H -3.856 5.070 -0.181 1.00 . A A . 22 HIS HE1 1 1 3 1197 1 1 22 HIS HE2 H -3.439 2.762 0.719 1.00 . A A . 22 HIS HE2 1 1 3 1198 1 1 22 HIS N N -3.436 4.517 5.391 1.00 . A A . 22 HIS N 1 1 3 1199 1 1 22 HIS ND1 N -4.661 5.360 1.781 1.00 . A A . 22 HIS ND1 1 1 3 1200 1 1 22 HIS NE2 N -4.017 3.413 1.160 1.00 . A A . 22 HIS NE2 1 1 3 1201 1 1 22 HIS O O -6.450 2.576 5.774 1.00 . A A . 22 HIS O 1 1 3 1202 1 1 23 CYS C C -4.052 -0.122 6.288 1.00 . A A . 23 CYS C 1 1 3 1203 1 1 23 CYS CA C -4.677 0.585 5.088 1.00 . A A . 23 CYS CA 1 1 3 1204 1 1 23 CYS CB C -4.137 0.009 3.789 1.00 . A A . 23 CYS CB 1 1 3 1205 1 1 23 CYS H H -3.502 2.296 4.828 1.00 . A A . 23 CYS H 1 1 3 1206 1 1 23 CYS HA H -5.747 0.455 5.116 1.00 . A A . 23 CYS HA 1 1 3 1207 1 1 23 CYS HB2 H -3.328 0.635 3.443 1.00 . A A . 23 CYS HB2 1 1 3 1208 1 1 23 CYS HB3 H -3.758 -0.976 3.976 1.00 . A A . 23 CYS HB3 1 1 3 1209 1 1 23 CYS N N -4.389 1.999 5.105 1.00 . A A . 23 CYS N 1 1 3 1210 1 1 23 CYS O O -3.511 0.521 7.188 1.00 . A A . 23 CYS O 1 1 3 1211 1 1 23 CYS SG S -5.363 -0.093 2.441 1.00 . A A . 23 CYS SG 1 1 3 1212 1 1 24 GLN C C -3.613 -3.730 7.045 1.00 . A A . 24 GLN C 1 1 3 1213 1 1 24 GLN CA C -3.571 -2.243 7.381 1.00 . A A . 24 GLN CA 1 1 3 1214 1 1 24 GLN CB C -4.337 -1.979 8.678 1.00 . A A . 24 GLN CB 1 1 3 1215 1 1 24 GLN CD C -6.630 -1.375 9.547 1.00 . A A . 24 GLN CD 1 1 3 1216 1 1 24 GLN CG C -5.836 -2.201 8.555 1.00 . A A . 24 GLN CG 1 1 3 1217 1 1 24 GLN H H -4.572 -1.904 5.547 1.00 . A A . 24 GLN H 1 1 3 1218 1 1 24 GLN HA H -2.542 -1.945 7.514 1.00 . A A . 24 GLN HA 1 1 3 1219 1 1 24 GLN HB2 H -3.959 -2.639 9.446 1.00 . A A . 24 GLN HB2 1 1 3 1220 1 1 24 GLN HB3 H -4.170 -0.956 8.980 1.00 . A A . 24 GLN HB3 1 1 3 1221 1 1 24 GLN HE21 H -7.981 -0.952 8.151 1.00 . A A . 24 GLN HE21 1 1 3 1222 1 1 24 GLN HE22 H -8.274 -0.268 9.710 1.00 . A A . 24 GLN HE22 1 1 3 1223 1 1 24 GLN HG2 H -6.146 -1.932 7.557 1.00 . A A . 24 GLN HG2 1 1 3 1224 1 1 24 GLN HG3 H -6.048 -3.246 8.727 1.00 . A A . 24 GLN HG3 1 1 3 1225 1 1 24 GLN N N -4.129 -1.449 6.293 1.00 . A A . 24 GLN N 1 1 3 1226 1 1 24 GLN NE2 N -7.741 -0.807 9.090 1.00 . A A . 24 GLN NE2 1 1 3 1227 1 1 24 GLN O O -4.627 -4.241 6.569 1.00 . A A . 24 GLN O 1 1 3 1228 1 1 24 GLN OE1 O -6.251 -1.248 10.712 1.00 . A A . 24 GLN OE1 1 1 3 1229 1 1 25 ALA C C -1.178 -6.456 7.675 1.00 . A A . 25 ALA C 1 1 3 1230 1 1 25 ALA CA C -2.415 -5.848 7.021 1.00 . A A . 25 ALA CA 1 1 3 1231 1 1 25 ALA CB C -2.397 -6.096 5.520 1.00 . A A . 25 ALA CB 1 1 3 1232 1 1 25 ALA H H -1.729 -3.956 7.676 1.00 . A A . 25 ALA H 1 1 3 1233 1 1 25 ALA HA H -3.295 -6.322 7.430 1.00 . A A . 25 ALA HA 1 1 3 1234 1 1 25 ALA HB1 H -3.210 -5.557 5.057 1.00 . A A . 25 ALA HB1 1 1 3 1235 1 1 25 ALA HB2 H -2.510 -7.153 5.328 1.00 . A A . 25 ALA HB2 1 1 3 1236 1 1 25 ALA HB3 H -1.458 -5.754 5.110 1.00 . A A . 25 ALA HB3 1 1 3 1237 1 1 25 ALA N N -2.505 -4.420 7.296 1.00 . A A . 25 ALA N 1 1 3 1238 1 1 25 ALA O O -0.532 -7.336 7.105 1.00 . A A . 25 ALA O 1 1 3 1239 1 1 26 GLY C C 1.058 -5.400 10.318 1.00 . A A . 26 GLY C 1 1 3 1240 1 1 26 GLY CA C 0.303 -6.491 9.584 1.00 . A A . 26 GLY CA 1 1 3 1241 1 1 26 GLY H H -1.407 -5.281 9.278 1.00 . A A . 26 GLY H 1 1 3 1242 1 1 26 GLY HA2 H -0.024 -7.231 10.299 1.00 . A A . 26 GLY HA2 1 1 3 1243 1 1 26 GLY HA3 H 0.969 -6.960 8.875 1.00 . A A . 26 GLY HA3 1 1 3 1244 1 1 26 GLY N N -0.855 -5.982 8.873 1.00 . A A . 26 GLY N 1 1 3 1245 1 1 26 GLY O O 1.494 -4.422 9.712 1.00 . A A . 26 GLY O 1 1 3 1246 1 1 27 LYS C C 1.232 -3.231 12.384 1.00 . A A . 27 LYS C 1 1 3 1247 1 1 27 LYS CA C 1.919 -4.591 12.446 1.00 . A A . 27 LYS CA 1 1 3 1248 1 1 27 LYS CB C 3.372 -4.463 11.984 1.00 . A A . 27 LYS CB 1 1 3 1249 1 1 27 LYS CD C 4.433 -6.737 11.847 1.00 . A A . 27 LYS CD 1 1 3 1250 1 1 27 LYS CE C 3.532 -7.829 12.401 1.00 . A A . 27 LYS CE 1 1 3 1251 1 1 27 LYS CG C 4.312 -5.453 12.652 1.00 . A A . 27 LYS CG 1 1 3 1252 1 1 27 LYS H H 0.841 -6.370 12.053 1.00 . A A . 27 LYS H 1 1 3 1253 1 1 27 LYS HA H 1.906 -4.941 13.467 1.00 . A A . 27 LYS HA 1 1 3 1254 1 1 27 LYS HB2 H 3.414 -4.624 10.917 1.00 . A A . 27 LYS HB2 1 1 3 1255 1 1 27 LYS HB3 H 3.721 -3.465 12.202 1.00 . A A . 27 LYS HB3 1 1 3 1256 1 1 27 LYS HD2 H 4.150 -6.537 10.824 1.00 . A A . 27 LYS HD2 1 1 3 1257 1 1 27 LYS HD3 H 5.458 -7.076 11.880 1.00 . A A . 27 LYS HD3 1 1 3 1258 1 1 27 LYS HE2 H 3.313 -7.606 13.435 1.00 . A A . 27 LYS HE2 1 1 3 1259 1 1 27 LYS HE3 H 2.613 -7.842 11.834 1.00 . A A . 27 LYS HE3 1 1 3 1260 1 1 27 LYS HG2 H 5.290 -5.003 12.740 1.00 . A A . 27 LYS HG2 1 1 3 1261 1 1 27 LYS HG3 H 3.932 -5.689 13.635 1.00 . A A . 27 LYS HG3 1 1 3 1262 1 1 27 LYS HZ1 H 3.483 -9.910 12.566 1.00 . A A . 27 LYS HZ1 1 1 3 1263 1 1 27 LYS HZ2 H 4.973 -9.226 12.982 1.00 . A A . 27 LYS HZ2 1 1 3 1264 1 1 27 LYS HZ3 H 4.522 -9.343 11.357 1.00 . A A . 27 LYS HZ3 1 1 3 1265 1 1 27 LYS N N 1.212 -5.569 11.628 1.00 . A A . 27 LYS N 1 1 3 1266 1 1 27 LYS NZ N 4.172 -9.171 12.321 1.00 . A A . 27 LYS NZ 1 1 3 1267 1 1 27 LYS O O 1.424 -2.517 11.377 1.00 . A A . 27 LYS O 1 1 3 1268 1 1 27 LYS OXT O 0.508 -2.890 13.342 1.00 . A A . 27 LYS OXT 1 1 3 1269 2 2 1 ZN ZN ZN -4.038 -0.125 0.554 1.00 . B A . 28 ZN ZN 1 1 4 1270 1 1 1 GLU C C 1.518 -3.023 0.946 1.00 . A A . 1 GLU C 1 1 4 1271 1 1 1 GLU CA C 2.390 -3.183 2.183 1.00 . A A . 1 GLU CA 1 1 4 1272 1 1 1 GLU CB C 3.440 -4.272 1.954 1.00 . A A . 1 GLU CB 1 1 4 1273 1 1 1 GLU CD C 4.975 -5.668 3.395 1.00 . A A . 1 GLU CD 1 1 4 1274 1 1 1 GLU CG C 4.555 -4.269 2.987 1.00 . A A . 1 GLU CG 1 1 4 1275 1 1 1 GLU H1 H 0.911 -4.294 3.083 1.00 . A A . 1 GLU H1 1 1 4 1276 1 1 1 GLU H2 H 1.072 -2.695 3.686 1.00 . A A . 1 GLU H2 1 1 4 1277 1 1 1 GLU H3 H 2.226 -3.894 4.107 1.00 . A A . 1 GLU H3 1 1 4 1278 1 1 1 GLU HA H 2.887 -2.245 2.381 1.00 . A A . 1 GLU HA 1 1 4 1279 1 1 1 GLU HB2 H 2.954 -5.236 1.983 1.00 . A A . 1 GLU HB2 1 1 4 1280 1 1 1 GLU HB3 H 3.881 -4.131 0.978 1.00 . A A . 1 GLU HB3 1 1 4 1281 1 1 1 GLU HG2 H 5.411 -3.760 2.572 1.00 . A A . 1 GLU HG2 1 1 4 1282 1 1 1 GLU HG3 H 4.213 -3.741 3.865 1.00 . A A . 1 GLU HG3 1 1 4 1283 1 1 1 GLU N N 1.577 -3.550 3.372 1.00 . A A . 1 GLU N 1 1 4 1284 1 1 1 GLU O O 0.654 -3.854 0.666 1.00 . A A . 1 GLU O 1 1 4 1285 1 1 1 GLU OE1 O 5.486 -6.410 2.530 1.00 . A A . 1 GLU OE1 1 1 4 1286 1 1 1 GLU OE2 O 4.792 -6.021 4.579 1.00 . A A . 1 GLU OE2 1 1 4 1287 1 1 2 VAL C C 1.077 -2.809 -1.992 1.00 . A A . 2 VAL C 1 1 4 1288 1 1 2 VAL CA C 0.994 -1.655 -0.997 1.00 . A A . 2 VAL CA 1 1 4 1289 1 1 2 VAL CB C 1.497 -0.361 -1.666 1.00 . A A . 2 VAL CB 1 1 4 1290 1 1 2 VAL CG1 C 2.879 -0.563 -2.272 1.00 . A A . 2 VAL CG1 1 1 4 1291 1 1 2 VAL CG2 C 0.508 0.118 -2.718 1.00 . A A . 2 VAL CG2 1 1 4 1292 1 1 2 VAL H H 2.453 -1.319 0.493 1.00 . A A . 2 VAL H 1 1 4 1293 1 1 2 VAL HA H -0.040 -1.510 -0.715 1.00 . A A . 2 VAL HA 1 1 4 1294 1 1 2 VAL HB H 1.575 0.401 -0.904 1.00 . A A . 2 VAL HB 1 1 4 1295 1 1 2 VAL HG11 H 3.386 -1.362 -1.753 1.00 . A A . 2 VAL HG11 1 1 4 1296 1 1 2 VAL HG12 H 3.450 0.348 -2.176 1.00 . A A . 2 VAL HG12 1 1 4 1297 1 1 2 VAL HG13 H 2.780 -0.817 -3.317 1.00 . A A . 2 VAL HG13 1 1 4 1298 1 1 2 VAL HG21 H 0.859 -0.168 -3.699 1.00 . A A . 2 VAL HG21 1 1 4 1299 1 1 2 VAL HG22 H 0.419 1.193 -2.666 1.00 . A A . 2 VAL HG22 1 1 4 1300 1 1 2 VAL HG23 H -0.457 -0.332 -2.537 1.00 . A A . 2 VAL HG23 1 1 4 1301 1 1 2 VAL N N 1.752 -1.942 0.212 1.00 . A A . 2 VAL N 1 1 4 1302 1 1 2 VAL O O 0.136 -3.063 -2.744 1.00 . A A . 2 VAL O 1 1 4 1303 1 1 3 ARG C C 1.488 -5.791 -2.530 1.00 . A A . 3 ARG C 1 1 4 1304 1 1 3 ARG CA C 2.415 -4.633 -2.887 1.00 . A A . 3 ARG CA 1 1 4 1305 1 1 3 ARG CB C 3.872 -5.096 -2.832 1.00 . A A . 3 ARG CB 1 1 4 1306 1 1 3 ARG CD C 5.123 -5.619 -4.955 1.00 . A A . 3 ARG CD 1 1 4 1307 1 1 3 ARG CG C 4.212 -6.161 -3.864 1.00 . A A . 3 ARG CG 1 1 4 1308 1 1 3 ARG CZ C 3.653 -4.405 -6.518 1.00 . A A . 3 ARG CZ 1 1 4 1309 1 1 3 ARG H H 2.921 -3.255 -1.364 1.00 . A A . 3 ARG H 1 1 4 1310 1 1 3 ARG HA H 2.189 -4.303 -3.890 1.00 . A A . 3 ARG HA 1 1 4 1311 1 1 3 ARG HB2 H 4.515 -4.244 -2.997 1.00 . A A . 3 ARG HB2 1 1 4 1312 1 1 3 ARG HB3 H 4.072 -5.501 -1.851 1.00 . A A . 3 ARG HB3 1 1 4 1313 1 1 3 ARG HD2 H 5.511 -4.661 -4.642 1.00 . A A . 3 ARG HD2 1 1 4 1314 1 1 3 ARG HD3 H 5.942 -6.309 -5.097 1.00 . A A . 3 ARG HD3 1 1 4 1315 1 1 3 ARG HE H 4.523 -6.161 -6.895 1.00 . A A . 3 ARG HE 1 1 4 1316 1 1 3 ARG HG2 H 4.710 -6.981 -3.369 1.00 . A A . 3 ARG HG2 1 1 4 1317 1 1 3 ARG HG3 H 3.296 -6.514 -4.316 1.00 . A A . 3 ARG HG3 1 1 4 1318 1 1 3 ARG HH11 H 3.938 -3.473 -4.745 1.00 . A A . 3 ARG HH11 1 1 4 1319 1 1 3 ARG HH12 H 2.910 -2.642 -5.863 1.00 . A A . 3 ARG HH12 1 1 4 1320 1 1 3 ARG HH21 H 3.171 -5.068 -8.365 1.00 . A A . 3 ARG HH21 1 1 4 1321 1 1 3 ARG HH22 H 2.474 -3.547 -7.917 1.00 . A A . 3 ARG HH22 1 1 4 1322 1 1 3 ARG N N 2.208 -3.505 -1.988 1.00 . A A . 3 ARG N 1 1 4 1323 1 1 3 ARG NE N 4.419 -5.453 -6.225 1.00 . A A . 3 ARG NE 1 1 4 1324 1 1 3 ARG NH1 N 3.487 -3.427 -5.636 1.00 . A A . 3 ARG NH1 1 1 4 1325 1 1 3 ARG NH2 N 3.050 -4.334 -7.697 1.00 . A A . 3 ARG NH2 1 1 4 1326 1 1 3 ARG O O 1.127 -6.596 -3.389 1.00 . A A . 3 ARG O 1 1 4 1327 1 1 4 ALA C C -1.228 -6.459 -0.704 1.00 . A A . 4 ALA C 1 1 4 1328 1 1 4 ALA CA C 0.221 -6.930 -0.793 1.00 . A A . 4 ALA CA 1 1 4 1329 1 1 4 ALA CB C 0.691 -7.454 0.555 1.00 . A A . 4 ALA CB 1 1 4 1330 1 1 4 ALA H H 1.427 -5.199 -0.620 1.00 . A A . 4 ALA H 1 1 4 1331 1 1 4 ALA HA H 0.277 -7.739 -1.504 1.00 . A A . 4 ALA HA 1 1 4 1332 1 1 4 ALA HB1 H -0.159 -7.802 1.123 1.00 . A A . 4 ALA HB1 1 1 4 1333 1 1 4 ALA HB2 H 1.185 -6.660 1.097 1.00 . A A . 4 ALA HB2 1 1 4 1334 1 1 4 ALA HB3 H 1.382 -8.270 0.404 1.00 . A A . 4 ALA HB3 1 1 4 1335 1 1 4 ALA N N 1.106 -5.869 -1.259 1.00 . A A . 4 ALA N 1 1 4 1336 1 1 4 ALA O O -2.116 -7.227 -0.335 1.00 . A A . 4 ALA O 1 1 4 1337 1 1 5 CYS C C -3.645 -5.142 -2.177 1.00 . A A . 5 CYS C 1 1 4 1338 1 1 5 CYS CA C -2.811 -4.638 -1.005 1.00 . A A . 5 CYS CA 1 1 4 1339 1 1 5 CYS CB C -2.766 -3.112 -1.039 1.00 . A A . 5 CYS CB 1 1 4 1340 1 1 5 CYS H H -0.723 -4.631 -1.337 1.00 . A A . 5 CYS H 1 1 4 1341 1 1 5 CYS HA H -3.273 -4.952 -0.081 1.00 . A A . 5 CYS HA 1 1 4 1342 1 1 5 CYS HB2 H -2.001 -2.765 -0.367 1.00 . A A . 5 CYS HB2 1 1 4 1343 1 1 5 CYS HB3 H -2.534 -2.787 -2.042 1.00 . A A . 5 CYS HB3 1 1 4 1344 1 1 5 CYS N N -1.466 -5.197 -1.047 1.00 . A A . 5 CYS N 1 1 4 1345 1 1 5 CYS O O -3.106 -5.601 -3.184 1.00 . A A . 5 CYS O 1 1 4 1346 1 1 5 CYS SG S -4.333 -2.327 -0.550 1.00 . A A . 5 CYS SG 1 1 4 1347 1 1 6 SER C C -6.704 -4.292 -3.606 1.00 . A A . 6 SER C 1 1 4 1348 1 1 6 SER CA C -5.871 -5.468 -3.100 1.00 . A A . 6 SER CA 1 1 4 1349 1 1 6 SER CB C -6.791 -6.578 -2.588 1.00 . A A . 6 SER CB 1 1 4 1350 1 1 6 SER H H -5.332 -4.655 -1.224 1.00 . A A . 6 SER H 1 1 4 1351 1 1 6 SER HA H -5.277 -5.851 -3.916 1.00 . A A . 6 SER HA 1 1 4 1352 1 1 6 SER HB2 H -7.462 -6.880 -3.379 1.00 . A A . 6 SER HB2 1 1 4 1353 1 1 6 SER HB3 H -6.194 -7.424 -2.281 1.00 . A A . 6 SER HB3 1 1 4 1354 1 1 6 SER HG H -8.041 -5.341 -1.725 1.00 . A A . 6 SER HG 1 1 4 1355 1 1 6 SER N N -4.962 -5.038 -2.046 1.00 . A A . 6 SER N 1 1 4 1356 1 1 6 SER O O -7.758 -4.484 -4.212 1.00 . A A . 6 SER O 1 1 4 1357 1 1 6 SER OG O -7.559 -6.136 -1.483 1.00 . A A . 6 SER OG 1 1 4 1358 1 1 7 LEU C C -6.247 -1.222 -4.980 1.00 . A A . 7 LEU C 1 1 4 1359 1 1 7 LEU CA C -6.936 -1.872 -3.779 1.00 . A A . 7 LEU CA 1 1 4 1360 1 1 7 LEU CB C -7.023 -0.869 -2.627 1.00 . A A . 7 LEU CB 1 1 4 1361 1 1 7 LEU CD1 C -7.119 -0.859 -0.117 1.00 . A A . 7 LEU CD1 1 1 4 1362 1 1 7 LEU CD2 C -9.236 -0.922 -1.453 1.00 . A A . 7 LEU CD2 1 1 4 1363 1 1 7 LEU CG C -7.781 -1.363 -1.393 1.00 . A A . 7 LEU CG 1 1 4 1364 1 1 7 LEU H H -5.381 -2.980 -2.860 1.00 . A A . 7 LEU H 1 1 4 1365 1 1 7 LEU HA H -7.935 -2.164 -4.062 1.00 . A A . 7 LEU HA 1 1 4 1366 1 1 7 LEU HB2 H -6.018 -0.608 -2.329 1.00 . A A . 7 LEU HB2 1 1 4 1367 1 1 7 LEU HB3 H -7.514 0.021 -2.990 1.00 . A A . 7 LEU HB3 1 1 4 1368 1 1 7 LEU HD11 H -7.844 -0.324 0.479 1.00 . A A . 7 LEU HD11 1 1 4 1369 1 1 7 LEU HD12 H -6.304 -0.198 -0.370 1.00 . A A . 7 LEU HD12 1 1 4 1370 1 1 7 LEU HD13 H -6.740 -1.698 0.447 1.00 . A A . 7 LEU HD13 1 1 4 1371 1 1 7 LEU HD21 H -9.295 0.147 -1.311 1.00 . A A . 7 LEU HD21 1 1 4 1372 1 1 7 LEU HD22 H -9.796 -1.420 -0.674 1.00 . A A . 7 LEU HD22 1 1 4 1373 1 1 7 LEU HD23 H -9.651 -1.181 -2.416 1.00 . A A . 7 LEU HD23 1 1 4 1374 1 1 7 LEU HG H -7.759 -2.443 -1.374 1.00 . A A . 7 LEU HG 1 1 4 1375 1 1 7 LEU N N -6.228 -3.073 -3.350 1.00 . A A . 7 LEU N 1 1 4 1376 1 1 7 LEU O O -5.050 -0.937 -4.934 1.00 . A A . 7 LEU O 1 1 4 1377 1 1 8 PRO C C -5.908 1.063 -7.015 1.00 . A A . 8 PRO C 1 1 4 1378 1 1 8 PRO CA C -6.437 -0.345 -7.281 1.00 . A A . 8 PRO CA 1 1 4 1379 1 1 8 PRO CB C -7.626 -0.290 -8.250 1.00 . A A . 8 PRO CB 1 1 4 1380 1 1 8 PRO CD C -8.426 -1.271 -6.225 1.00 . A A . 8 PRO CD 1 1 4 1381 1 1 8 PRO CG C -8.616 -1.266 -7.714 1.00 . A A . 8 PRO CG 1 1 4 1382 1 1 8 PRO HA H -5.649 -0.947 -7.709 1.00 . A A . 8 PRO HA 1 1 4 1383 1 1 8 PRO HB2 H -8.030 0.712 -8.268 1.00 . A A . 8 PRO HB2 1 1 4 1384 1 1 8 PRO HB3 H -7.297 -0.567 -9.240 1.00 . A A . 8 PRO HB3 1 1 4 1385 1 1 8 PRO HD2 H -9.033 -0.506 -5.764 1.00 . A A . 8 PRO HD2 1 1 4 1386 1 1 8 PRO HD3 H -8.663 -2.242 -5.819 1.00 . A A . 8 PRO HD3 1 1 4 1387 1 1 8 PRO HG2 H -9.617 -0.948 -7.964 1.00 . A A . 8 PRO HG2 1 1 4 1388 1 1 8 PRO HG3 H -8.420 -2.248 -8.120 1.00 . A A . 8 PRO HG3 1 1 4 1389 1 1 8 PRO N N -6.993 -0.971 -6.074 1.00 . A A . 8 PRO N 1 1 4 1390 1 1 8 PRO O O -5.158 1.615 -7.820 1.00 . A A . 8 PRO O 1 1 4 1391 1 1 9 HIS C C -4.416 2.966 -5.061 1.00 . A A . 9 HIS C 1 1 4 1392 1 1 9 HIS CA C -5.867 2.981 -5.512 1.00 . A A . 9 HIS CA 1 1 4 1393 1 1 9 HIS CB C -6.744 3.536 -4.388 1.00 . A A . 9 HIS CB 1 1 4 1394 1 1 9 HIS CD2 C -5.572 5.717 -3.624 1.00 . A A . 9 HIS CD2 1 1 4 1395 1 1 9 HIS CE1 C -7.113 7.147 -4.247 1.00 . A A . 9 HIS CE1 1 1 4 1396 1 1 9 HIS CG C -6.583 5.009 -4.180 1.00 . A A . 9 HIS CG 1 1 4 1397 1 1 9 HIS H H -6.897 1.150 -5.280 1.00 . A A . 9 HIS H 1 1 4 1398 1 1 9 HIS HA H -5.959 3.616 -6.381 1.00 . A A . 9 HIS HA 1 1 4 1399 1 1 9 HIS HB2 H -7.780 3.342 -4.617 1.00 . A A . 9 HIS HB2 1 1 4 1400 1 1 9 HIS HB3 H -6.484 3.041 -3.462 1.00 . A A . 9 HIS HB3 1 1 4 1401 1 1 9 HIS HD1 H -8.388 5.731 -4.993 1.00 . A A . 9 HIS HD1 1 1 4 1402 1 1 9 HIS HD2 H -4.656 5.313 -3.214 1.00 . A A . 9 HIS HD2 1 1 4 1403 1 1 9 HIS HE1 H -7.649 8.067 -4.425 1.00 . A A . 9 HIS HE1 1 1 4 1404 1 1 9 HIS HE2 H -5.429 7.782 -3.269 1.00 . A A . 9 HIS HE2 1 1 4 1405 1 1 9 HIS N N -6.303 1.639 -5.882 1.00 . A A . 9 HIS N 1 1 4 1406 1 1 9 HIS ND1 N -7.533 5.934 -4.559 1.00 . A A . 9 HIS ND1 1 1 4 1407 1 1 9 HIS NE2 N -5.926 7.043 -3.678 1.00 . A A . 9 HIS NE2 1 1 4 1408 1 1 9 HIS O O -3.573 3.685 -5.599 1.00 . A A . 9 HIS O 1 1 4 1409 1 1 10 CYS C C -1.823 1.531 -4.601 1.00 . A A . 10 CYS C 1 1 4 1410 1 1 10 CYS CA C -2.791 2.013 -3.526 1.00 . A A . 10 CYS CA 1 1 4 1411 1 1 10 CYS CB C -2.782 1.046 -2.340 1.00 . A A . 10 CYS CB 1 1 4 1412 1 1 10 CYS H H -4.856 1.593 -3.685 1.00 . A A . 10 CYS H 1 1 4 1413 1 1 10 CYS HA H -2.477 2.989 -3.187 1.00 . A A . 10 CYS HA 1 1 4 1414 1 1 10 CYS HB2 H -2.792 0.034 -2.713 1.00 . A A . 10 CYS HB2 1 1 4 1415 1 1 10 CYS HB3 H -1.882 1.203 -1.764 1.00 . A A . 10 CYS HB3 1 1 4 1416 1 1 10 CYS N N -4.136 2.137 -4.065 1.00 . A A . 10 CYS N 1 1 4 1417 1 1 10 CYS O O -0.627 1.814 -4.545 1.00 . A A . 10 CYS O 1 1 4 1418 1 1 10 CYS SG S -4.203 1.233 -1.212 1.00 . A A . 10 CYS SG 1 1 4 1419 1 1 11 ARG C C -1.207 1.400 -7.671 1.00 . A A . 11 ARG C 1 1 4 1420 1 1 11 ARG CA C -1.529 0.293 -6.673 1.00 . A A . 11 ARG CA 1 1 4 1421 1 1 11 ARG CB C -2.245 -0.859 -7.382 1.00 . A A . 11 ARG CB 1 1 4 1422 1 1 11 ARG CD C -0.727 -1.462 -9.293 1.00 . A A . 11 ARG CD 1 1 4 1423 1 1 11 ARG CG C -1.298 -1.902 -7.954 1.00 . A A . 11 ARG CG 1 1 4 1424 1 1 11 ARG CZ C -0.912 -2.170 -11.646 1.00 . A A . 11 ARG CZ 1 1 4 1425 1 1 11 ARG H H -3.314 0.617 -5.578 1.00 . A A . 11 ARG H 1 1 4 1426 1 1 11 ARG HA H -0.606 -0.073 -6.249 1.00 . A A . 11 ARG HA 1 1 4 1427 1 1 11 ARG HB2 H -2.901 -1.348 -6.677 1.00 . A A . 11 ARG HB2 1 1 4 1428 1 1 11 ARG HB3 H -2.835 -0.457 -8.191 1.00 . A A . 11 ARG HB3 1 1 4 1429 1 1 11 ARG HD2 H -0.829 -0.391 -9.379 1.00 . A A . 11 ARG HD2 1 1 4 1430 1 1 11 ARG HD3 H 0.319 -1.728 -9.328 1.00 . A A . 11 ARG HD3 1 1 4 1431 1 1 11 ARG HE H -2.298 -2.483 -10.245 1.00 . A A . 11 ARG HE 1 1 4 1432 1 1 11 ARG HG2 H -0.485 -2.056 -7.261 1.00 . A A . 11 ARG HG2 1 1 4 1433 1 1 11 ARG HG3 H -1.838 -2.828 -8.090 1.00 . A A . 11 ARG HG3 1 1 4 1434 1 1 11 ARG HH11 H 0.808 -1.207 -11.193 1.00 . A A . 11 ARG HH11 1 1 4 1435 1 1 11 ARG HH12 H 0.654 -1.715 -12.841 1.00 . A A . 11 ARG HH12 1 1 4 1436 1 1 11 ARG HH21 H -2.503 -3.152 -12.412 1.00 . A A . 11 ARG HH21 1 1 4 1437 1 1 11 ARG HH22 H -1.226 -2.819 -13.534 1.00 . A A . 11 ARG HH22 1 1 4 1438 1 1 11 ARG N N -2.351 0.807 -5.584 1.00 . A A . 11 ARG N 1 1 4 1439 1 1 11 ARG NE N -1.415 -2.094 -10.416 1.00 . A A . 11 ARG NE 1 1 4 1440 1 1 11 ARG NH1 N 0.281 -1.655 -11.915 1.00 . A A . 11 ARG NH1 1 1 4 1441 1 1 11 ARG NH2 N -1.604 -2.762 -12.610 1.00 . A A . 11 ARG NH2 1 1 4 1442 1 1 11 ARG O O -1.897 1.564 -8.677 1.00 . A A . 11 ARG O 1 1 4 1443 1 1 12 THR C C 1.762 3.234 -8.487 1.00 . A A . 12 THR C 1 1 4 1444 1 1 12 THR CA C 0.253 3.260 -8.249 1.00 . A A . 12 THR CA 1 1 4 1445 1 1 12 THR CB C -0.161 4.598 -7.634 1.00 . A A . 12 THR CB 1 1 4 1446 1 1 12 THR CG2 C 0.258 5.796 -8.461 1.00 . A A . 12 THR CG2 1 1 4 1447 1 1 12 THR H H 0.350 1.985 -6.562 1.00 . A A . 12 THR H 1 1 4 1448 1 1 12 THR HA H -0.250 3.138 -9.197 1.00 . A A . 12 THR HA 1 1 4 1449 1 1 12 THR HB H 0.298 4.691 -6.660 1.00 . A A . 12 THR HB 1 1 4 1450 1 1 12 THR HG1 H -1.996 4.355 -8.274 1.00 . A A . 12 THR HG1 1 1 4 1451 1 1 12 THR HG21 H -0.615 6.377 -8.720 1.00 . A A . 12 THR HG21 1 1 4 1452 1 1 12 THR HG22 H 0.746 5.458 -9.363 1.00 . A A . 12 THR HG22 1 1 4 1453 1 1 12 THR HG23 H 0.940 6.407 -7.889 1.00 . A A . 12 THR HG23 1 1 4 1454 1 1 12 THR N N -0.158 2.162 -7.381 1.00 . A A . 12 THR N 1 1 4 1455 1 1 12 THR O O 2.227 2.759 -9.523 1.00 . A A . 12 THR O 1 1 4 1456 1 1 12 THR OG1 O -1.567 4.660 -7.471 1.00 . A A . 12 THR OG1 1 1 4 1457 1 1 13 MET C C 4.627 2.921 -6.550 1.00 . A A . 13 MET C 1 1 4 1458 1 1 13 MET CA C 3.974 3.782 -7.629 1.00 . A A . 13 MET CA 1 1 4 1459 1 1 13 MET CB C 4.479 5.222 -7.521 1.00 . A A . 13 MET CB 1 1 4 1460 1 1 13 MET CE C 7.028 6.964 -8.567 1.00 . A A . 13 MET CE 1 1 4 1461 1 1 13 MET CG C 4.453 5.976 -8.841 1.00 . A A . 13 MET CG 1 1 4 1462 1 1 13 MET H H 2.093 4.111 -6.720 1.00 . A A . 13 MET H 1 1 4 1463 1 1 13 MET HA H 4.244 3.389 -8.597 1.00 . A A . 13 MET HA 1 1 4 1464 1 1 13 MET HB2 H 3.861 5.756 -6.815 1.00 . A A . 13 MET HB2 1 1 4 1465 1 1 13 MET HB3 H 5.496 5.209 -7.159 1.00 . A A . 13 MET HB3 1 1 4 1466 1 1 13 MET HE1 H 6.836 8.009 -8.761 1.00 . A A . 13 MET HE1 1 1 4 1467 1 1 13 MET HE2 H 8.076 6.756 -8.722 1.00 . A A . 13 MET HE2 1 1 4 1468 1 1 13 MET HE3 H 6.762 6.733 -7.546 1.00 . A A . 13 MET HE3 1 1 4 1469 1 1 13 MET HG2 H 3.718 5.519 -9.487 1.00 . A A . 13 MET HG2 1 1 4 1470 1 1 13 MET HG3 H 4.173 7.002 -8.649 1.00 . A A . 13 MET HG3 1 1 4 1471 1 1 13 MET N N 2.520 3.748 -7.523 1.00 . A A . 13 MET N 1 1 4 1472 1 1 13 MET O O 5.850 2.912 -6.415 1.00 . A A . 13 MET O 1 1 4 1473 1 1 13 MET SD S 6.048 5.960 -9.681 1.00 . A A . 13 MET SD 1 1 4 1474 1 1 14 LYS C C 4.615 2.133 -3.453 1.00 . A A . 14 LYS C 1 1 4 1475 1 1 14 LYS CA C 4.292 1.330 -4.715 1.00 . A A . 14 LYS CA 1 1 4 1476 1 1 14 LYS CB C 5.513 0.518 -5.187 1.00 . A A . 14 LYS CB 1 1 4 1477 1 1 14 LYS CD C 7.972 0.701 -5.692 1.00 . A A . 14 LYS CD 1 1 4 1478 1 1 14 LYS CE C 9.342 0.980 -5.096 1.00 . A A . 14 LYS CE 1 1 4 1479 1 1 14 LYS CG C 6.859 1.060 -4.721 1.00 . A A . 14 LYS CG 1 1 4 1480 1 1 14 LYS H H 2.840 2.252 -5.944 1.00 . A A . 14 LYS H 1 1 4 1481 1 1 14 LYS HA H 3.495 0.640 -4.477 1.00 . A A . 14 LYS HA 1 1 4 1482 1 1 14 LYS HB2 H 5.417 -0.493 -4.821 1.00 . A A . 14 LYS HB2 1 1 4 1483 1 1 14 LYS HB3 H 5.516 0.496 -6.267 1.00 . A A . 14 LYS HB3 1 1 4 1484 1 1 14 LYS HD2 H 7.902 -0.349 -5.932 1.00 . A A . 14 LYS HD2 1 1 4 1485 1 1 14 LYS HD3 H 7.854 1.287 -6.592 1.00 . A A . 14 LYS HD3 1 1 4 1486 1 1 14 LYS HE2 H 10.050 1.112 -5.901 1.00 . A A . 14 LYS HE2 1 1 4 1487 1 1 14 LYS HE3 H 9.288 1.887 -4.512 1.00 . A A . 14 LYS HE3 1 1 4 1488 1 1 14 LYS HG2 H 6.797 2.135 -4.641 1.00 . A A . 14 LYS HG2 1 1 4 1489 1 1 14 LYS HG3 H 7.086 0.639 -3.754 1.00 . A A . 14 LYS HG3 1 1 4 1490 1 1 14 LYS HZ1 H 10.395 0.240 -3.451 1.00 . A A . 14 LYS HZ1 1 1 4 1491 1 1 14 LYS HZ2 H 10.366 -0.812 -4.775 1.00 . A A . 14 LYS HZ2 1 1 4 1492 1 1 14 LYS HZ3 H 8.988 -0.628 -3.812 1.00 . A A . 14 LYS HZ3 1 1 4 1493 1 1 14 LYS N N 3.804 2.199 -5.785 1.00 . A A . 14 LYS N 1 1 4 1494 1 1 14 LYS NZ N 9.805 -0.133 -4.222 1.00 . A A . 14 LYS NZ 1 1 4 1495 1 1 14 LYS O O 5.388 1.690 -2.604 1.00 . A A . 14 LYS O 1 1 4 1496 1 1 15 ASN C C 3.663 3.517 -0.914 1.00 . A A . 15 ASN C 1 1 4 1497 1 1 15 ASN CA C 4.227 4.167 -2.173 1.00 . A A . 15 ASN CA 1 1 4 1498 1 1 15 ASN CB C 3.579 5.535 -2.394 1.00 . A A . 15 ASN CB 1 1 4 1499 1 1 15 ASN CG C 4.572 6.573 -2.879 1.00 . A A . 15 ASN CG 1 1 4 1500 1 1 15 ASN H H 3.397 3.609 -4.035 1.00 . A A . 15 ASN H 1 1 4 1501 1 1 15 ASN HA H 5.292 4.297 -2.051 1.00 . A A . 15 ASN HA 1 1 4 1502 1 1 15 ASN HB2 H 2.796 5.441 -3.132 1.00 . A A . 15 ASN HB2 1 1 4 1503 1 1 15 ASN HB3 H 3.152 5.879 -1.464 1.00 . A A . 15 ASN HB3 1 1 4 1504 1 1 15 ASN HD21 H 4.821 7.239 -1.022 1.00 . A A . 15 ASN HD21 1 1 4 1505 1 1 15 ASN HD22 H 5.743 8.047 -2.239 1.00 . A A . 15 ASN HD22 1 1 4 1506 1 1 15 ASN N N 4.009 3.312 -3.333 1.00 . A A . 15 ASN N 1 1 4 1507 1 1 15 ASN ND2 N 5.098 7.367 -1.953 1.00 . A A . 15 ASN ND2 1 1 4 1508 1 1 15 ASN O O 2.598 3.898 -0.427 1.00 . A A . 15 ASN O 1 1 4 1509 1 1 15 ASN OD1 O 4.862 6.662 -4.072 1.00 . A A . 15 ASN OD1 1 1 4 1510 1 1 16 VAL C C 3.560 2.765 1.921 1.00 . A A . 16 VAL C 1 1 4 1511 1 1 16 VAL CA C 3.962 1.809 0.802 1.00 . A A . 16 VAL CA 1 1 4 1512 1 1 16 VAL CB C 5.075 0.879 1.319 1.00 . A A . 16 VAL CB 1 1 4 1513 1 1 16 VAL CG1 C 4.554 -0.013 2.436 1.00 . A A . 16 VAL CG1 1 1 4 1514 1 1 16 VAL CG2 C 5.645 0.044 0.182 1.00 . A A . 16 VAL CG2 1 1 4 1515 1 1 16 VAL H H 5.219 2.269 -0.838 1.00 . A A . 16 VAL H 1 1 4 1516 1 1 16 VAL HA H 3.111 1.200 0.542 1.00 . A A . 16 VAL HA 1 1 4 1517 1 1 16 VAL HB H 5.866 1.491 1.719 1.00 . A A . 16 VAL HB 1 1 4 1518 1 1 16 VAL HG11 H 3.612 0.374 2.797 1.00 . A A . 16 VAL HG11 1 1 4 1519 1 1 16 VAL HG12 H 5.269 -0.031 3.245 1.00 . A A . 16 VAL HG12 1 1 4 1520 1 1 16 VAL HG13 H 4.410 -1.015 2.060 1.00 . A A . 16 VAL HG13 1 1 4 1521 1 1 16 VAL HG21 H 6.378 0.625 -0.359 1.00 . A A . 16 VAL HG21 1 1 4 1522 1 1 16 VAL HG22 H 4.849 -0.245 -0.488 1.00 . A A . 16 VAL HG22 1 1 4 1523 1 1 16 VAL HG23 H 6.115 -0.841 0.585 1.00 . A A . 16 VAL HG23 1 1 4 1524 1 1 16 VAL N N 4.383 2.527 -0.397 1.00 . A A . 16 VAL N 1 1 4 1525 1 1 16 VAL O O 2.621 2.496 2.671 1.00 . A A . 16 VAL O 1 1 4 1526 1 1 17 LEU C C 2.571 5.411 2.915 1.00 . A A . 17 LEU C 1 1 4 1527 1 1 17 LEU CA C 3.984 4.868 3.067 1.00 . A A . 17 LEU CA 1 1 4 1528 1 1 17 LEU CB C 4.996 6.014 3.009 1.00 . A A . 17 LEU CB 1 1 4 1529 1 1 17 LEU CD1 C 7.443 6.551 3.090 1.00 . A A . 17 LEU CD1 1 1 4 1530 1 1 17 LEU CD2 C 6.200 6.072 5.206 1.00 . A A . 17 LEU CD2 1 1 4 1531 1 1 17 LEU CG C 6.320 5.746 3.725 1.00 . A A . 17 LEU CG 1 1 4 1532 1 1 17 LEU H H 5.013 4.042 1.409 1.00 . A A . 17 LEU H 1 1 4 1533 1 1 17 LEU HA H 4.063 4.377 4.019 1.00 . A A . 17 LEU HA 1 1 4 1534 1 1 17 LEU HB2 H 5.208 6.227 1.971 1.00 . A A . 17 LEU HB2 1 1 4 1535 1 1 17 LEU HB3 H 4.543 6.888 3.453 1.00 . A A . 17 LEU HB3 1 1 4 1536 1 1 17 LEU HD11 H 7.599 7.459 3.653 1.00 . A A . 17 LEU HD11 1 1 4 1537 1 1 17 LEU HD12 H 7.177 6.799 2.073 1.00 . A A . 17 LEU HD12 1 1 4 1538 1 1 17 LEU HD13 H 8.351 5.966 3.092 1.00 . A A . 17 LEU HD13 1 1 4 1539 1 1 17 LEU HD21 H 7.184 6.233 5.621 1.00 . A A . 17 LEU HD21 1 1 4 1540 1 1 17 LEU HD22 H 5.723 5.249 5.719 1.00 . A A . 17 LEU HD22 1 1 4 1541 1 1 17 LEU HD23 H 5.606 6.966 5.331 1.00 . A A . 17 LEU HD23 1 1 4 1542 1 1 17 LEU HG H 6.567 4.698 3.632 1.00 . A A . 17 LEU HG 1 1 4 1543 1 1 17 LEU N N 4.275 3.881 2.033 1.00 . A A . 17 LEU N 1 1 4 1544 1 1 17 LEU O O 1.890 5.692 3.901 1.00 . A A . 17 LEU O 1 1 4 1545 1 1 18 ASN C C -0.250 4.976 1.639 1.00 . A A . 18 ASN C 1 1 4 1546 1 1 18 ASN CA C 0.800 6.047 1.376 1.00 . A A . 18 ASN CA 1 1 4 1547 1 1 18 ASN CB C 0.713 6.514 -0.078 1.00 . A A . 18 ASN CB 1 1 4 1548 1 1 18 ASN CG C -0.166 7.739 -0.241 1.00 . A A . 18 ASN CG 1 1 4 1549 1 1 18 ASN H H 2.731 5.296 0.937 1.00 . A A . 18 ASN H 1 1 4 1550 1 1 18 ASN HA H 0.610 6.886 2.026 1.00 . A A . 18 ASN HA 1 1 4 1551 1 1 18 ASN HB2 H 1.703 6.755 -0.432 1.00 . A A . 18 ASN HB2 1 1 4 1552 1 1 18 ASN HB3 H 0.304 5.717 -0.681 1.00 . A A . 18 ASN HB3 1 1 4 1553 1 1 18 ASN HD21 H -1.721 6.591 -0.706 1.00 . A A . 18 ASN HD21 1 1 4 1554 1 1 18 ASN HD22 H -2.021 8.293 -0.693 1.00 . A A . 18 ASN HD22 1 1 4 1555 1 1 18 ASN N N 2.137 5.547 1.673 1.00 . A A . 18 ASN N 1 1 4 1556 1 1 18 ASN ND2 N -1.430 7.519 -0.581 1.00 . A A . 18 ASN ND2 1 1 4 1557 1 1 18 ASN O O -1.386 5.279 2.006 1.00 . A A . 18 ASN O 1 1 4 1558 1 1 18 ASN OD1 O 0.286 8.870 -0.062 1.00 . A A . 18 ASN OD1 1 1 4 1559 1 1 19 HIS C C -0.926 2.282 3.131 1.00 . A A . 19 HIS C 1 1 4 1560 1 1 19 HIS CA C -0.771 2.600 1.644 1.00 . A A . 19 HIS CA 1 1 4 1561 1 1 19 HIS CB C -0.271 1.370 0.871 1.00 . A A . 19 HIS CB 1 1 4 1562 1 1 19 HIS CD2 C -0.098 -0.844 2.187 1.00 . A A . 19 HIS CD2 1 1 4 1563 1 1 19 HIS CE1 C -2.122 -1.549 1.815 1.00 . A A . 19 HIS CE1 1 1 4 1564 1 1 19 HIS CG C -0.754 0.060 1.419 1.00 . A A . 19 HIS CG 1 1 4 1565 1 1 19 HIS H H 1.053 3.548 1.140 1.00 . A A . 19 HIS H 1 1 4 1566 1 1 19 HIS HA H -1.731 2.887 1.253 1.00 . A A . 19 HIS HA 1 1 4 1567 1 1 19 HIS HB2 H -0.604 1.440 -0.153 1.00 . A A . 19 HIS HB2 1 1 4 1568 1 1 19 HIS HB3 H 0.809 1.360 0.890 1.00 . A A . 19 HIS HB3 1 1 4 1569 1 1 19 HIS HD2 H 0.914 -0.771 2.548 1.00 . A A . 19 HIS HD2 1 1 4 1570 1 1 19 HIS HE1 H -3.022 -2.142 1.852 1.00 . A A . 19 HIS HE1 1 1 4 1571 1 1 19 HIS HE2 H -0.859 -2.576 3.100 1.00 . A A . 19 HIS HE2 1 1 4 1572 1 1 19 HIS N N 0.136 3.722 1.439 1.00 . A A . 19 HIS N 1 1 4 1573 1 1 19 HIS ND1 N -2.029 -0.395 1.189 1.00 . A A . 19 HIS ND1 1 1 4 1574 1 1 19 HIS NE2 N -0.977 -1.867 2.434 1.00 . A A . 19 HIS NE2 1 1 4 1575 1 1 19 HIS O O -2.029 2.331 3.672 1.00 . A A . 19 HIS O 1 1 4 1576 1 1 20 MET C C -0.481 2.745 6.028 1.00 . A A . 20 MET C 1 1 4 1577 1 1 20 MET CA C 0.156 1.625 5.207 1.00 . A A . 20 MET CA 1 1 4 1578 1 1 20 MET CB C 1.573 1.350 5.713 1.00 . A A . 20 MET CB 1 1 4 1579 1 1 20 MET CE C 1.407 -2.657 6.483 1.00 . A A . 20 MET CE 1 1 4 1580 1 1 20 MET CG C 1.995 -0.104 5.579 1.00 . A A . 20 MET CG 1 1 4 1581 1 1 20 MET H H 1.033 1.928 3.303 1.00 . A A . 20 MET H 1 1 4 1582 1 1 20 MET HA H -0.437 0.731 5.327 1.00 . A A . 20 MET HA 1 1 4 1583 1 1 20 MET HB2 H 2.267 1.957 5.152 1.00 . A A . 20 MET HB2 1 1 4 1584 1 1 20 MET HB3 H 1.630 1.624 6.756 1.00 . A A . 20 MET HB3 1 1 4 1585 1 1 20 MET HE1 H 0.537 -2.595 5.846 1.00 . A A . 20 MET HE1 1 1 4 1586 1 1 20 MET HE2 H 1.202 -3.324 7.308 1.00 . A A . 20 MET HE2 1 1 4 1587 1 1 20 MET HE3 H 2.244 -3.035 5.914 1.00 . A A . 20 MET HE3 1 1 4 1588 1 1 20 MET HG2 H 1.390 -0.572 4.816 1.00 . A A . 20 MET HG2 1 1 4 1589 1 1 20 MET HG3 H 3.034 -0.138 5.283 1.00 . A A . 20 MET HG3 1 1 4 1590 1 1 20 MET N N 0.181 1.953 3.785 1.00 . A A . 20 MET N 1 1 4 1591 1 1 20 MET O O -0.961 2.515 7.138 1.00 . A A . 20 MET O 1 1 4 1592 1 1 20 MET SD S 1.802 -1.028 7.115 1.00 . A A . 20 MET SD 1 1 4 1593 1 1 21 THR C C -2.577 4.996 6.256 1.00 . A A . 21 THR C 1 1 4 1594 1 1 21 THR CA C -1.052 5.105 6.167 1.00 . A A . 21 THR CA 1 1 4 1595 1 1 21 THR CB C -0.636 6.402 5.453 1.00 . A A . 21 THR CB 1 1 4 1596 1 1 21 THR CG2 C -1.770 7.385 5.231 1.00 . A A . 21 THR CG2 1 1 4 1597 1 1 21 THR H H -0.079 4.080 4.596 1.00 . A A . 21 THR H 1 1 4 1598 1 1 21 THR HA H -0.651 5.117 7.167 1.00 . A A . 21 THR HA 1 1 4 1599 1 1 21 THR HB H -0.226 6.148 4.485 1.00 . A A . 21 THR HB 1 1 4 1600 1 1 21 THR HG1 H 0.016 7.328 7.050 1.00 . A A . 21 THR HG1 1 1 4 1601 1 1 21 THR HG21 H -2.270 7.575 6.169 1.00 . A A . 21 THR HG21 1 1 4 1602 1 1 21 THR HG22 H -2.474 6.970 4.525 1.00 . A A . 21 THR HG22 1 1 4 1603 1 1 21 THR HG23 H -1.373 8.311 4.841 1.00 . A A . 21 THR HG23 1 1 4 1604 1 1 21 THR N N -0.479 3.955 5.480 1.00 . A A . 21 THR N 1 1 4 1605 1 1 21 THR O O -3.204 5.661 7.081 1.00 . A A . 21 THR O 1 1 4 1606 1 1 21 THR OG1 O 0.366 7.075 6.193 1.00 . A A . 21 THR OG1 1 1 4 1607 1 1 22 HIS C C -5.036 2.529 5.356 1.00 . A A . 22 HIS C 1 1 4 1608 1 1 22 HIS CA C -4.623 3.996 5.397 1.00 . A A . 22 HIS CA 1 1 4 1609 1 1 22 HIS CB C -5.240 4.724 4.200 1.00 . A A . 22 HIS CB 1 1 4 1610 1 1 22 HIS CD2 C -4.321 3.024 2.439 1.00 . A A . 22 HIS CD2 1 1 4 1611 1 1 22 HIS CE1 C -4.170 4.400 0.742 1.00 . A A . 22 HIS CE1 1 1 4 1612 1 1 22 HIS CG C -4.741 4.247 2.865 1.00 . A A . 22 HIS CG 1 1 4 1613 1 1 22 HIS H H -2.625 3.666 4.760 1.00 . A A . 22 HIS H 1 1 4 1614 1 1 22 HIS HA H -5.008 4.437 6.304 1.00 . A A . 22 HIS HA 1 1 4 1615 1 1 22 HIS HB2 H -6.310 4.586 4.220 1.00 . A A . 22 HIS HB2 1 1 4 1616 1 1 22 HIS HB3 H -5.018 5.778 4.280 1.00 . A A . 22 HIS HB3 1 1 4 1617 1 1 22 HIS HD1 H -4.861 6.034 1.758 1.00 . A A . 22 HIS HD1 1 1 4 1618 1 1 22 HIS HD2 H -4.273 2.110 3.022 1.00 . A A . 22 HIS HD2 1 1 4 1619 1 1 22 HIS HE1 H -3.990 4.795 -0.248 1.00 . A A . 22 HIS HE1 1 1 4 1620 1 1 22 HIS HE2 H -3.411 2.515 0.635 1.00 . A A . 22 HIS HE2 1 1 4 1621 1 1 22 HIS N N -3.171 4.166 5.402 1.00 . A A . 22 HIS N 1 1 4 1622 1 1 22 HIS ND1 N -4.632 5.082 1.774 1.00 . A A . 22 HIS ND1 1 1 4 1623 1 1 22 HIS NE2 N -3.970 3.151 1.119 1.00 . A A . 22 HIS NE2 1 1 4 1624 1 1 22 HIS O O -6.215 2.208 5.503 1.00 . A A . 22 HIS O 1 1 4 1625 1 1 23 CYS C C -3.704 -0.543 6.175 1.00 . A A . 23 CYS C 1 1 4 1626 1 1 23 CYS CA C -4.363 0.231 5.035 1.00 . A A . 23 CYS CA 1 1 4 1627 1 1 23 CYS CB C -3.859 -0.265 3.690 1.00 . A A . 23 CYS CB 1 1 4 1628 1 1 23 CYS H H -3.160 1.939 4.990 1.00 . A A . 23 CYS H 1 1 4 1629 1 1 23 CYS HA H -5.432 0.095 5.084 1.00 . A A . 23 CYS HA 1 1 4 1630 1 1 23 CYS HB2 H -3.072 0.392 3.353 1.00 . A A . 23 CYS HB2 1 1 4 1631 1 1 23 CYS HB3 H -3.459 -1.251 3.812 1.00 . A A . 23 CYS HB3 1 1 4 1632 1 1 23 CYS N N -4.078 1.642 5.127 1.00 . A A . 23 CYS N 1 1 4 1633 1 1 23 CYS O O -2.783 -1.329 5.954 1.00 . A A . 23 CYS O 1 1 4 1634 1 1 23 CYS SG S -5.128 -0.314 2.379 1.00 . A A . 23 CYS SG 1 1 4 1635 1 1 24 GLN C C -3.970 -2.477 8.538 1.00 . A A . 24 GLN C 1 1 4 1636 1 1 24 GLN CA C -3.641 -0.988 8.566 1.00 . A A . 24 GLN CA 1 1 4 1637 1 1 24 GLN CB C -4.191 -0.356 9.846 1.00 . A A . 24 GLN CB 1 1 4 1638 1 1 24 GLN CD C -6.319 -0.256 11.204 1.00 . A A . 24 GLN CD 1 1 4 1639 1 1 24 GLN CG C -5.697 -0.152 9.825 1.00 . A A . 24 GLN CG 1 1 4 1640 1 1 24 GLN H H -4.918 0.325 7.506 1.00 . A A . 24 GLN H 1 1 4 1641 1 1 24 GLN HA H -2.568 -0.869 8.550 1.00 . A A . 24 GLN HA 1 1 4 1642 1 1 24 GLN HB2 H -3.948 -0.995 10.682 1.00 . A A . 24 GLN HB2 1 1 4 1643 1 1 24 GLN HB3 H -3.721 0.605 9.990 1.00 . A A . 24 GLN HB3 1 1 4 1644 1 1 24 GLN HE21 H -7.751 -1.440 10.497 1.00 . A A . 24 GLN HE21 1 1 4 1645 1 1 24 GLN HE22 H -7.835 -1.087 12.186 1.00 . A A . 24 GLN HE22 1 1 4 1646 1 1 24 GLN HG2 H -5.910 0.828 9.424 1.00 . A A . 24 GLN HG2 1 1 4 1647 1 1 24 GLN HG3 H -6.141 -0.904 9.188 1.00 . A A . 24 GLN HG3 1 1 4 1648 1 1 24 GLN N N -4.183 -0.313 7.393 1.00 . A A . 24 GLN N 1 1 4 1649 1 1 24 GLN NE2 N -7.412 -1.003 11.306 1.00 . A A . 24 GLN NE2 1 1 4 1650 1 1 24 GLN O O -5.126 -2.864 8.368 1.00 . A A . 24 GLN O 1 1 4 1651 1 1 24 GLN OE1 O -5.823 0.329 12.167 1.00 . A A . 24 GLN OE1 1 1 4 1652 1 1 25 ALA C C -1.817 -5.472 9.008 1.00 . A A . 25 ALA C 1 1 4 1653 1 1 25 ALA CA C -3.127 -4.754 8.700 1.00 . A A . 25 ALA CA 1 1 4 1654 1 1 25 ALA CB C -3.678 -5.212 7.358 1.00 . A A . 25 ALA CB 1 1 4 1655 1 1 25 ALA H H -2.048 -2.938 8.838 1.00 . A A . 25 ALA H 1 1 4 1656 1 1 25 ALA HA H -3.850 -5.003 9.463 1.00 . A A . 25 ALA HA 1 1 4 1657 1 1 25 ALA HB1 H -4.214 -4.398 6.893 1.00 . A A . 25 ALA HB1 1 1 4 1658 1 1 25 ALA HB2 H -4.348 -6.045 7.509 1.00 . A A . 25 ALA HB2 1 1 4 1659 1 1 25 ALA HB3 H -2.862 -5.517 6.719 1.00 . A A . 25 ALA HB3 1 1 4 1660 1 1 25 ALA N N -2.946 -3.308 8.706 1.00 . A A . 25 ALA N 1 1 4 1661 1 1 25 ALA O O -0.743 -5.023 8.608 1.00 . A A . 25 ALA O 1 1 4 1662 1 1 26 GLY C C 0.212 -6.579 10.973 1.00 . A A . 26 GLY C 1 1 4 1663 1 1 26 GLY CA C -0.730 -7.351 10.070 1.00 . A A . 26 GLY CA 1 1 4 1664 1 1 26 GLY H H -2.797 -6.899 10.012 1.00 . A A . 26 GLY H 1 1 4 1665 1 1 26 GLY HA2 H -1.033 -8.256 10.576 1.00 . A A . 26 GLY HA2 1 1 4 1666 1 1 26 GLY HA3 H -0.205 -7.616 9.164 1.00 . A A . 26 GLY HA3 1 1 4 1667 1 1 26 GLY N N -1.914 -6.589 9.721 1.00 . A A . 26 GLY N 1 1 4 1668 1 1 26 GLY O O 0.623 -5.465 10.646 1.00 . A A . 26 GLY O 1 1 4 1669 1 1 27 LYS C C 0.871 -5.213 13.563 1.00 . A A . 27 LYS C 1 1 4 1670 1 1 27 LYS CA C 1.454 -6.531 13.065 1.00 . A A . 27 LYS CA 1 1 4 1671 1 1 27 LYS CB C 2.822 -6.288 12.424 1.00 . A A . 27 LYS CB 1 1 4 1672 1 1 27 LYS CD C 5.218 -7.004 12.666 1.00 . A A . 27 LYS CD 1 1 4 1673 1 1 27 LYS CE C 5.038 -8.452 12.242 1.00 . A A . 27 LYS CE 1 1 4 1674 1 1 27 LYS CG C 3.986 -6.476 13.383 1.00 . A A . 27 LYS CG 1 1 4 1675 1 1 27 LYS H H 0.195 -8.059 12.317 1.00 . A A . 27 LYS H 1 1 4 1676 1 1 27 LYS HA H 1.575 -7.198 13.906 1.00 . A A . 27 LYS HA 1 1 4 1677 1 1 27 LYS HB2 H 2.948 -6.975 11.600 1.00 . A A . 27 LYS HB2 1 1 4 1678 1 1 27 LYS HB3 H 2.854 -5.277 12.046 1.00 . A A . 27 LYS HB3 1 1 4 1679 1 1 27 LYS HD2 H 5.397 -6.402 11.788 1.00 . A A . 27 LYS HD2 1 1 4 1680 1 1 27 LYS HD3 H 6.066 -6.935 13.332 1.00 . A A . 27 LYS HD3 1 1 4 1681 1 1 27 LYS HE2 H 3.982 -8.668 12.182 1.00 . A A . 27 LYS HE2 1 1 4 1682 1 1 27 LYS HE3 H 5.488 -8.588 11.270 1.00 . A A . 27 LYS HE3 1 1 4 1683 1 1 27 LYS HG2 H 4.225 -5.525 13.835 1.00 . A A . 27 LYS HG2 1 1 4 1684 1 1 27 LYS HG3 H 3.697 -7.179 14.150 1.00 . A A . 27 LYS HG3 1 1 4 1685 1 1 27 LYS HZ1 H 5.100 -9.457 14.073 1.00 . A A . 27 LYS HZ1 1 1 4 1686 1 1 27 LYS HZ2 H 6.625 -9.067 13.454 1.00 . A A . 27 LYS HZ2 1 1 4 1687 1 1 27 LYS HZ3 H 5.743 -10.343 12.782 1.00 . A A . 27 LYS HZ3 1 1 4 1688 1 1 27 LYS N N 0.555 -7.171 12.112 1.00 . A A . 27 LYS N 1 1 4 1689 1 1 27 LYS NZ N 5.671 -9.396 13.205 1.00 . A A . 27 LYS NZ 1 1 4 1690 1 1 27 LYS O O 0.211 -5.222 14.623 1.00 . A A . 27 LYS O 1 1 4 1691 1 1 27 LYS OXT O 1.081 -4.182 12.890 1.00 . A A . 27 LYS OXT 1 1 4 1692 2 2 1 ZN ZN ZN -3.878 -0.325 0.443 1.00 . B A . 28 ZN ZN 1 1 5 1693 1 1 1 GLU C C 1.271 -2.773 1.403 1.00 . A A . 1 GLU C 1 1 5 1694 1 1 1 GLU CA C 2.217 -2.937 2.584 1.00 . A A . 1 GLU CA 1 1 5 1695 1 1 1 GLU CB C 3.123 -4.152 2.372 1.00 . A A . 1 GLU CB 1 1 5 1696 1 1 1 GLU CD C 4.893 -5.639 3.388 1.00 . A A . 1 GLU CD 1 1 5 1697 1 1 1 GLU CG C 4.221 -4.281 3.415 1.00 . A A . 1 GLU CG 1 1 5 1698 1 1 1 GLU H1 H 0.669 -2.453 3.849 1.00 . A A . 1 GLU H1 1 1 5 1699 1 1 1 GLU H2 H 2.120 -2.917 4.639 1.00 . A A . 1 GLU H2 1 1 5 1700 1 1 1 GLU H3 H 1.133 -4.102 3.887 1.00 . A A . 1 GLU H3 1 1 5 1701 1 1 1 GLU HA H 2.826 -2.049 2.667 1.00 . A A . 1 GLU HA 1 1 5 1702 1 1 1 GLU HB2 H 2.518 -5.047 2.405 1.00 . A A . 1 GLU HB2 1 1 5 1703 1 1 1 GLU HB3 H 3.586 -4.076 1.400 1.00 . A A . 1 GLU HB3 1 1 5 1704 1 1 1 GLU HG2 H 4.967 -3.523 3.229 1.00 . A A . 1 GLU HG2 1 1 5 1705 1 1 1 GLU HG3 H 3.790 -4.127 4.394 1.00 . A A . 1 GLU HG3 1 1 5 1706 1 1 1 GLU N N 1.467 -3.119 3.854 1.00 . A A . 1 GLU N 1 1 5 1707 1 1 1 GLU O O 0.282 -3.496 1.277 1.00 . A A . 1 GLU O 1 1 5 1708 1 1 1 GLU OE1 O 4.357 -6.580 4.011 1.00 . A A . 1 GLU OE1 1 1 5 1709 1 1 1 GLU OE2 O 5.957 -5.763 2.745 1.00 . A A . 1 GLU OE2 1 1 5 1710 1 1 2 VAL C C 0.781 -2.718 -1.602 1.00 . A A . 2 VAL C 1 1 5 1711 1 1 2 VAL CA C 0.767 -1.540 -0.632 1.00 . A A . 2 VAL CA 1 1 5 1712 1 1 2 VAL CB C 1.255 -0.270 -1.356 1.00 . A A . 2 VAL CB 1 1 5 1713 1 1 2 VAL CG1 C 2.609 -0.504 -2.011 1.00 . A A . 2 VAL CG1 1 1 5 1714 1 1 2 VAL CG2 C 0.229 0.190 -2.381 1.00 . A A . 2 VAL CG2 1 1 5 1715 1 1 2 VAL H H 2.383 -1.271 0.702 1.00 . A A . 2 VAL H 1 1 5 1716 1 1 2 VAL HA H -0.247 -1.372 -0.300 1.00 . A A . 2 VAL HA 1 1 5 1717 1 1 2 VAL HB H 1.371 0.511 -0.620 1.00 . A A . 2 VAL HB 1 1 5 1718 1 1 2 VAL HG11 H 3.211 0.387 -1.919 1.00 . A A . 2 VAL HG11 1 1 5 1719 1 1 2 VAL HG12 H 2.468 -0.738 -3.056 1.00 . A A . 2 VAL HG12 1 1 5 1720 1 1 2 VAL HG13 H 3.108 -1.328 -1.522 1.00 . A A . 2 VAL HG13 1 1 5 1721 1 1 2 VAL HG21 H 0.554 -0.096 -3.370 1.00 . A A . 2 VAL HG21 1 1 5 1722 1 1 2 VAL HG22 H 0.127 1.264 -2.331 1.00 . A A . 2 VAL HG22 1 1 5 1723 1 1 2 VAL HG23 H -0.725 -0.271 -2.169 1.00 . A A . 2 VAL HG23 1 1 5 1724 1 1 2 VAL N N 1.583 -1.813 0.542 1.00 . A A . 2 VAL N 1 1 5 1725 1 1 2 VAL O O -0.195 -2.964 -2.310 1.00 . A A . 2 VAL O 1 1 5 1726 1 1 3 ARG C C 1.051 -5.694 -2.129 1.00 . A A . 3 ARG C 1 1 5 1727 1 1 3 ARG CA C 2.037 -4.595 -2.508 1.00 . A A . 3 ARG CA 1 1 5 1728 1 1 3 ARG CB C 3.467 -5.134 -2.450 1.00 . A A . 3 ARG CB 1 1 5 1729 1 1 3 ARG CD C 4.388 -5.130 -4.788 1.00 . A A . 3 ARG CD 1 1 5 1730 1 1 3 ARG CG C 4.414 -4.455 -3.426 1.00 . A A . 3 ARG CG 1 1 5 1731 1 1 3 ARG CZ C 5.837 -6.612 -6.121 1.00 . A A . 3 ARG CZ 1 1 5 1732 1 1 3 ARG H H 2.639 -3.196 -1.038 1.00 . A A . 3 ARG H 1 1 5 1733 1 1 3 ARG HA H 1.825 -4.269 -3.516 1.00 . A A . 3 ARG HA 1 1 5 1734 1 1 3 ARG HB2 H 3.853 -4.993 -1.451 1.00 . A A . 3 ARG HB2 1 1 5 1735 1 1 3 ARG HB3 H 3.451 -6.191 -2.674 1.00 . A A . 3 ARG HB3 1 1 5 1736 1 1 3 ARG HD2 H 3.455 -5.664 -4.894 1.00 . A A . 3 ARG HD2 1 1 5 1737 1 1 3 ARG HD3 H 4.455 -4.370 -5.553 1.00 . A A . 3 ARG HD3 1 1 5 1738 1 1 3 ARG HE H 6.008 -6.310 -4.155 1.00 . A A . 3 ARG HE 1 1 5 1739 1 1 3 ARG HG2 H 4.117 -3.423 -3.542 1.00 . A A . 3 ARG HG2 1 1 5 1740 1 1 3 ARG HG3 H 5.418 -4.501 -3.030 1.00 . A A . 3 ARG HG3 1 1 5 1741 1 1 3 ARG HH11 H 4.395 -5.673 -7.184 1.00 . A A . 3 ARG HH11 1 1 5 1742 1 1 3 ARG HH12 H 5.427 -6.721 -8.097 1.00 . A A . 3 ARG HH12 1 1 5 1743 1 1 3 ARG HH21 H 7.366 -7.689 -5.355 1.00 . A A . 3 ARG HH21 1 1 5 1744 1 1 3 ARG HH22 H 7.114 -7.866 -7.060 1.00 . A A . 3 ARG HH22 1 1 5 1745 1 1 3 ARG N N 1.895 -3.442 -1.627 1.00 . A A . 3 ARG N 1 1 5 1746 1 1 3 ARG NE N 5.494 -6.070 -4.954 1.00 . A A . 3 ARG NE 1 1 5 1747 1 1 3 ARG NH1 N 5.164 -6.311 -7.224 1.00 . A A . 3 ARG NH1 1 1 5 1748 1 1 3 ARG NH2 N 6.856 -7.458 -6.184 1.00 . A A . 3 ARG NH2 1 1 5 1749 1 1 3 ARG O O 0.623 -6.477 -2.977 1.00 . A A . 3 ARG O 1 1 5 1750 1 1 4 ALA C C -1.673 -6.218 -0.314 1.00 . A A . 4 ALA C 1 1 5 1751 1 1 4 ALA CA C -0.243 -6.754 -0.362 1.00 . A A . 4 ALA CA 1 1 5 1752 1 1 4 ALA CB C 0.182 -7.246 1.013 1.00 . A A . 4 ALA CB 1 1 5 1753 1 1 4 ALA H H 1.067 -5.098 -0.220 1.00 . A A . 4 ALA H 1 1 5 1754 1 1 4 ALA HA H -0.211 -7.591 -1.041 1.00 . A A . 4 ALA HA 1 1 5 1755 1 1 4 ALA HB1 H 1.256 -7.358 1.039 1.00 . A A . 4 ALA HB1 1 1 5 1756 1 1 4 ALA HB2 H -0.284 -8.199 1.215 1.00 . A A . 4 ALA HB2 1 1 5 1757 1 1 4 ALA HB3 H -0.123 -6.530 1.762 1.00 . A A . 4 ALA HB3 1 1 5 1758 1 1 4 ALA N N 0.693 -5.748 -0.850 1.00 . A A . 4 ALA N 1 1 5 1759 1 1 4 ALA O O -2.592 -6.920 0.106 1.00 . A A . 4 ALA O 1 1 5 1760 1 1 5 CYS C C -4.032 -4.914 -1.889 1.00 . A A . 5 CYS C 1 1 5 1761 1 1 5 CYS CA C -3.179 -4.360 -0.755 1.00 . A A . 5 CYS CA 1 1 5 1762 1 1 5 CYS CB C -3.068 -2.843 -0.899 1.00 . A A . 5 CYS CB 1 1 5 1763 1 1 5 CYS H H -1.092 -4.462 -1.076 1.00 . A A . 5 CYS H 1 1 5 1764 1 1 5 CYS HA H -3.654 -4.586 0.188 1.00 . A A . 5 CYS HA 1 1 5 1765 1 1 5 CYS HB2 H -2.285 -2.482 -0.255 1.00 . A A . 5 CYS HB2 1 1 5 1766 1 1 5 CYS HB3 H -2.827 -2.602 -1.924 1.00 . A A . 5 CYS HB3 1 1 5 1767 1 1 5 CYS N N -1.858 -4.975 -0.749 1.00 . A A . 5 CYS N 1 1 5 1768 1 1 5 CYS O O -3.512 -5.476 -2.853 1.00 . A A . 5 CYS O 1 1 5 1769 1 1 5 CYS SG S -4.595 -1.955 -0.464 1.00 . A A . 5 CYS SG 1 1 5 1770 1 1 6 SER C C -6.999 -4.039 -3.452 1.00 . A A . 6 SER C 1 1 5 1771 1 1 6 SER CA C -6.268 -5.210 -2.797 1.00 . A A . 6 SER CA 1 1 5 1772 1 1 6 SER CB C -7.281 -6.183 -2.190 1.00 . A A . 6 SER CB 1 1 5 1773 1 1 6 SER H H -5.698 -4.277 -0.988 1.00 . A A . 6 SER H 1 1 5 1774 1 1 6 SER HA H -5.694 -5.727 -3.551 1.00 . A A . 6 SER HA 1 1 5 1775 1 1 6 SER HB2 H -8.139 -6.259 -2.840 1.00 . A A . 6 SER HB2 1 1 5 1776 1 1 6 SER HB3 H -6.823 -7.156 -2.083 1.00 . A A . 6 SER HB3 1 1 5 1777 1 1 6 SER HG H -8.600 -6.066 -0.746 1.00 . A A . 6 SER HG 1 1 5 1778 1 1 6 SER N N -5.344 -4.740 -1.775 1.00 . A A . 6 SER N 1 1 5 1779 1 1 6 SER O O -8.027 -4.226 -4.102 1.00 . A A . 6 SER O 1 1 5 1780 1 1 6 SER OG O -7.713 -5.739 -0.915 1.00 . A A . 6 SER OG 1 1 5 1781 1 1 7 LEU C C -6.286 -1.142 -5.063 1.00 . A A . 7 LEU C 1 1 5 1782 1 1 7 LEU CA C -7.077 -1.637 -3.853 1.00 . A A . 7 LEU CA 1 1 5 1783 1 1 7 LEU CB C -7.170 -0.525 -2.806 1.00 . A A . 7 LEU CB 1 1 5 1784 1 1 7 LEU CD1 C -7.315 -0.328 -0.306 1.00 . A A . 7 LEU CD1 1 1 5 1785 1 1 7 LEU CD2 C -9.404 -0.333 -1.686 1.00 . A A . 7 LEU CD2 1 1 5 1786 1 1 7 LEU CG C -7.987 -0.873 -1.559 1.00 . A A . 7 LEU CG 1 1 5 1787 1 1 7 LEU H H -5.643 -2.737 -2.748 1.00 . A A . 7 LEU H 1 1 5 1788 1 1 7 LEU HA H -8.074 -1.901 -4.173 1.00 . A A . 7 LEU HA 1 1 5 1789 1 1 7 LEU HB2 H -6.167 -0.267 -2.497 1.00 . A A . 7 LEU HB2 1 1 5 1790 1 1 7 LEU HB3 H -7.616 0.339 -3.272 1.00 . A A . 7 LEU HB3 1 1 5 1791 1 1 7 LEU HD11 H -8.005 0.312 0.225 1.00 . A A . 7 LEU HD11 1 1 5 1792 1 1 7 LEU HD12 H -6.439 0.239 -0.583 1.00 . A A . 7 LEU HD12 1 1 5 1793 1 1 7 LEU HD13 H -7.025 -1.150 0.332 1.00 . A A . 7 LEU HD13 1 1 5 1794 1 1 7 LEU HD21 H -10.026 -0.769 -0.918 1.00 . A A . 7 LEU HD21 1 1 5 1795 1 1 7 LEU HD22 H -9.801 -0.587 -2.658 1.00 . A A . 7 LEU HD22 1 1 5 1796 1 1 7 LEU HD23 H -9.391 0.741 -1.573 1.00 . A A . 7 LEU HD23 1 1 5 1797 1 1 7 LEU HG H -8.046 -1.948 -1.465 1.00 . A A . 7 LEU HG 1 1 5 1798 1 1 7 LEU N N -6.465 -2.830 -3.276 1.00 . A A . 7 LEU N 1 1 5 1799 1 1 7 LEU O O -5.057 -1.211 -5.080 1.00 . A A . 7 LEU O 1 1 5 1800 1 1 8 PRO C C -5.787 1.296 -7.118 1.00 . A A . 8 PRO C 1 1 5 1801 1 1 8 PRO CA C -6.341 -0.115 -7.303 1.00 . A A . 8 PRO CA 1 1 5 1802 1 1 8 PRO CB C -7.483 -0.112 -8.315 1.00 . A A . 8 PRO CB 1 1 5 1803 1 1 8 PRO CD C -8.454 -0.503 -6.155 1.00 . A A . 8 PRO CD 1 1 5 1804 1 1 8 PRO CG C -8.704 0.136 -7.498 1.00 . A A . 8 PRO CG 1 1 5 1805 1 1 8 PRO HA H -5.554 -0.771 -7.645 1.00 . A A . 8 PRO HA 1 1 5 1806 1 1 8 PRO HB2 H -7.324 0.674 -9.040 1.00 . A A . 8 PRO HB2 1 1 5 1807 1 1 8 PRO HB3 H -7.530 -1.067 -8.815 1.00 . A A . 8 PRO HB3 1 1 5 1808 1 1 8 PRO HD2 H -8.819 0.133 -5.362 1.00 . A A . 8 PRO HD2 1 1 5 1809 1 1 8 PRO HD3 H -8.924 -1.474 -6.106 1.00 . A A . 8 PRO HD3 1 1 5 1810 1 1 8 PRO HG2 H -8.859 1.199 -7.383 1.00 . A A . 8 PRO HG2 1 1 5 1811 1 1 8 PRO HG3 H -9.561 -0.318 -7.973 1.00 . A A . 8 PRO HG3 1 1 5 1812 1 1 8 PRO N N -6.983 -0.628 -6.092 1.00 . A A . 8 PRO N 1 1 5 1813 1 1 8 PRO O O -5.123 1.833 -8.005 1.00 . A A . 8 PRO O 1 1 5 1814 1 1 9 HIS C C -4.168 3.206 -5.123 1.00 . A A . 9 HIS C 1 1 5 1815 1 1 9 HIS CA C -5.591 3.240 -5.660 1.00 . A A . 9 HIS CA 1 1 5 1816 1 1 9 HIS CB C -6.506 3.904 -4.630 1.00 . A A . 9 HIS CB 1 1 5 1817 1 1 9 HIS CD2 C -5.220 6.041 -3.927 1.00 . A A . 9 HIS CD2 1 1 5 1818 1 1 9 HIS CE1 C -6.661 7.534 -4.637 1.00 . A A . 9 HIS CE1 1 1 5 1819 1 1 9 HIS CG C -6.262 5.373 -4.476 1.00 . A A . 9 HIS CG 1 1 5 1820 1 1 9 HIS H H -6.594 1.416 -5.291 1.00 . A A . 9 HIS H 1 1 5 1821 1 1 9 HIS HA H -5.610 3.814 -6.573 1.00 . A A . 9 HIS HA 1 1 5 1822 1 1 9 HIS HB2 H -7.535 3.766 -4.927 1.00 . A A . 9 HIS HB2 1 1 5 1823 1 1 9 HIS HB3 H -6.348 3.439 -3.666 1.00 . A A . 9 HIS HB3 1 1 5 1824 1 1 9 HIS HD1 H -8.004 6.167 -5.355 1.00 . A A . 9 HIS HD1 1 1 5 1825 1 1 9 HIS HD2 H -4.338 5.600 -3.482 1.00 . A A . 9 HIS HD2 1 1 5 1826 1 1 9 HIS HE1 H -7.138 8.476 -4.862 1.00 . A A . 9 HIS HE1 1 1 5 1827 1 1 9 HIS HE2 H -4.959 8.107 -3.652 1.00 . A A . 9 HIS HE2 1 1 5 1828 1 1 9 HIS N N -6.062 1.893 -5.961 1.00 . A A . 9 HIS N 1 1 5 1829 1 1 9 HIS ND1 N -7.147 6.336 -4.911 1.00 . A A . 9 HIS ND1 1 1 5 1830 1 1 9 HIS NE2 N -5.493 7.382 -4.040 1.00 . A A . 9 HIS NE2 1 1 5 1831 1 1 9 HIS O O -3.291 3.928 -5.598 1.00 . A A . 9 HIS O 1 1 5 1832 1 1 10 CYS C C -1.622 1.688 -4.500 1.00 . A A . 10 CYS C 1 1 5 1833 1 1 10 CYS CA C -2.643 2.225 -3.502 1.00 . A A . 10 CYS CA 1 1 5 1834 1 1 10 CYS CB C -2.731 1.299 -2.288 1.00 . A A . 10 CYS CB 1 1 5 1835 1 1 10 CYS H H -4.698 1.820 -3.792 1.00 . A A . 10 CYS H 1 1 5 1836 1 1 10 CYS HA H -2.327 3.204 -3.174 1.00 . A A . 10 CYS HA 1 1 5 1837 1 1 10 CYS HB2 H -2.753 0.275 -2.628 1.00 . A A . 10 CYS HB2 1 1 5 1838 1 1 10 CYS HB3 H -1.860 1.448 -1.666 1.00 . A A . 10 CYS HB3 1 1 5 1839 1 1 10 CYS N N -3.953 2.363 -4.123 1.00 . A A . 10 CYS N 1 1 5 1840 1 1 10 CYS O O -0.427 1.963 -4.387 1.00 . A A . 10 CYS O 1 1 5 1841 1 1 10 CYS SG S -4.207 1.567 -1.250 1.00 . A A . 10 CYS SG 1 1 5 1842 1 1 11 ARG C C -0.790 1.431 -7.491 1.00 . A A . 11 ARG C 1 1 5 1843 1 1 11 ARG CA C -1.223 0.359 -6.497 1.00 . A A . 11 ARG CA 1 1 5 1844 1 1 11 ARG CB C -1.931 -0.782 -7.232 1.00 . A A . 11 ARG CB 1 1 5 1845 1 1 11 ARG CD C -0.115 -1.597 -8.766 1.00 . A A . 11 ARG CD 1 1 5 1846 1 1 11 ARG CG C -1.012 -1.939 -7.587 1.00 . A A . 11 ARG CG 1 1 5 1847 1 1 11 ARG CZ C -0.513 -3.493 -10.289 1.00 . A A . 11 ARG CZ 1 1 5 1848 1 1 11 ARG H H -3.062 0.745 -5.520 1.00 . A A . 11 ARG H 1 1 5 1849 1 1 11 ARG HA H -0.348 -0.032 -6.001 1.00 . A A . 11 ARG HA 1 1 5 1850 1 1 11 ARG HB2 H -2.725 -1.160 -6.605 1.00 . A A . 11 ARG HB2 1 1 5 1851 1 1 11 ARG HB3 H -2.358 -0.396 -8.145 1.00 . A A . 11 ARG HB3 1 1 5 1852 1 1 11 ARG HD2 H -0.085 -0.524 -8.881 1.00 . A A . 11 ARG HD2 1 1 5 1853 1 1 11 ARG HD3 H 0.881 -1.964 -8.562 1.00 . A A . 11 ARG HD3 1 1 5 1854 1 1 11 ARG HE H -0.998 -1.595 -10.673 1.00 . A A . 11 ARG HE 1 1 5 1855 1 1 11 ARG HG2 H -0.393 -2.170 -6.733 1.00 . A A . 11 ARG HG2 1 1 5 1856 1 1 11 ARG HG3 H -1.614 -2.799 -7.841 1.00 . A A . 11 ARG HG3 1 1 5 1857 1 1 11 ARG HH11 H 0.376 -3.994 -8.543 1.00 . A A . 11 ARG HH11 1 1 5 1858 1 1 11 ARG HH12 H 0.085 -5.309 -9.631 1.00 . A A . 11 ARG HH12 1 1 5 1859 1 1 11 ARG HH21 H -1.383 -3.324 -12.106 1.00 . A A . 11 ARG HH21 1 1 5 1860 1 1 11 ARG HH22 H -0.913 -4.929 -11.654 1.00 . A A . 11 ARG HH22 1 1 5 1861 1 1 11 ARG N N -2.099 0.926 -5.479 1.00 . A A . 11 ARG N 1 1 5 1862 1 1 11 ARG NE N -0.594 -2.194 -10.010 1.00 . A A . 11 ARG NE 1 1 5 1863 1 1 11 ARG NH1 N 0.027 -4.334 -9.416 1.00 . A A . 11 ARG NH1 1 1 5 1864 1 1 11 ARG NH2 N -0.974 -3.953 -11.444 1.00 . A A . 11 ARG NH2 1 1 5 1865 1 1 11 ARG O O -1.400 1.597 -8.547 1.00 . A A . 11 ARG O 1 1 5 1866 1 1 12 THR C C 2.298 3.132 -8.134 1.00 . A A . 12 THR C 1 1 5 1867 1 1 12 THR CA C 0.778 3.222 -8.001 1.00 . A A . 12 THR CA 1 1 5 1868 1 1 12 THR CB C 0.377 4.588 -7.441 1.00 . A A . 12 THR CB 1 1 5 1869 1 1 12 THR CG2 C 0.909 5.752 -8.250 1.00 . A A . 12 THR CG2 1 1 5 1870 1 1 12 THR H H 0.707 1.983 -6.285 1.00 . A A . 12 THR H 1 1 5 1871 1 1 12 THR HA H 0.336 3.100 -8.978 1.00 . A A . 12 THR HA 1 1 5 1872 1 1 12 THR HB H 0.763 4.679 -6.435 1.00 . A A . 12 THR HB 1 1 5 1873 1 1 12 THR HG1 H -1.309 4.848 -6.477 1.00 . A A . 12 THR HG1 1 1 5 1874 1 1 12 THR HG21 H 1.266 5.393 -9.204 1.00 . A A . 12 THR HG21 1 1 5 1875 1 1 12 THR HG22 H 1.721 6.221 -7.715 1.00 . A A . 12 THR HG22 1 1 5 1876 1 1 12 THR HG23 H 0.119 6.471 -8.409 1.00 . A A . 12 THR HG23 1 1 5 1877 1 1 12 THR N N 0.266 2.160 -7.142 1.00 . A A . 12 THR N 1 1 5 1878 1 1 12 THR O O 2.812 2.588 -9.111 1.00 . A A . 12 THR O 1 1 5 1879 1 1 12 THR OG1 O -1.033 4.712 -7.387 1.00 . A A . 12 THR OG1 1 1 5 1880 1 1 13 MET C C 5.010 2.775 -6.019 1.00 . A A . 13 MET C 1 1 5 1881 1 1 13 MET CA C 4.468 3.641 -7.154 1.00 . A A . 13 MET CA 1 1 5 1882 1 1 13 MET CB C 5.022 5.062 -7.035 1.00 . A A . 13 MET CB 1 1 5 1883 1 1 13 MET CE C 5.609 7.974 -9.967 1.00 . A A . 13 MET CE 1 1 5 1884 1 1 13 MET CG C 4.868 5.884 -8.304 1.00 . A A . 13 MET CG 1 1 5 1885 1 1 13 MET H H 2.547 4.082 -6.391 1.00 . A A . 13 MET H 1 1 5 1886 1 1 13 MET HA H 4.787 3.219 -8.095 1.00 . A A . 13 MET HA 1 1 5 1887 1 1 13 MET HB2 H 4.504 5.572 -6.236 1.00 . A A . 13 MET HB2 1 1 5 1888 1 1 13 MET HB3 H 6.074 5.007 -6.793 1.00 . A A . 13 MET HB3 1 1 5 1889 1 1 13 MET HE1 H 6.511 7.929 -10.559 1.00 . A A . 13 MET HE1 1 1 5 1890 1 1 13 MET HE2 H 5.277 8.998 -9.894 1.00 . A A . 13 MET HE2 1 1 5 1891 1 1 13 MET HE3 H 4.840 7.378 -10.437 1.00 . A A . 13 MET HE3 1 1 5 1892 1 1 13 MET HG2 H 5.113 5.261 -9.152 1.00 . A A . 13 MET HG2 1 1 5 1893 1 1 13 MET HG3 H 3.842 6.210 -8.383 1.00 . A A . 13 MET HG3 1 1 5 1894 1 1 13 MET N N 3.011 3.665 -7.146 1.00 . A A . 13 MET N 1 1 5 1895 1 1 13 MET O O 6.214 2.751 -5.772 1.00 . A A . 13 MET O 1 1 5 1896 1 1 13 MET SD S 5.939 7.334 -8.327 1.00 . A A . 13 MET SD 1 1 5 1897 1 1 14 LYS C C 4.779 2.003 -2.956 1.00 . A A . 14 LYS C 1 1 5 1898 1 1 14 LYS CA C 4.488 1.194 -4.221 1.00 . A A . 14 LYS CA 1 1 5 1899 1 1 14 LYS CB C 5.689 0.304 -4.605 1.00 . A A . 14 LYS CB 1 1 5 1900 1 1 14 LYS CD C 7.586 0.053 -2.961 1.00 . A A . 14 LYS CD 1 1 5 1901 1 1 14 LYS CE C 9.016 -0.411 -3.187 1.00 . A A . 14 LYS CE 1 1 5 1902 1 1 14 LYS CG C 7.053 0.826 -4.159 1.00 . A A . 14 LYS CG 1 1 5 1903 1 1 14 LYS H H 3.164 2.132 -5.580 1.00 . A A . 14 LYS H 1 1 5 1904 1 1 14 LYS HA H 3.641 0.554 -4.020 1.00 . A A . 14 LYS HA 1 1 5 1905 1 1 14 LYS HB2 H 5.546 -0.671 -4.167 1.00 . A A . 14 LYS HB2 1 1 5 1906 1 1 14 LYS HB3 H 5.706 0.200 -5.680 1.00 . A A . 14 LYS HB3 1 1 5 1907 1 1 14 LYS HD2 H 7.560 0.694 -2.092 1.00 . A A . 14 LYS HD2 1 1 5 1908 1 1 14 LYS HD3 H 6.959 -0.810 -2.792 1.00 . A A . 14 LYS HD3 1 1 5 1909 1 1 14 LYS HE2 H 9.485 0.245 -3.905 1.00 . A A . 14 LYS HE2 1 1 5 1910 1 1 14 LYS HE3 H 9.550 -0.358 -2.249 1.00 . A A . 14 LYS HE3 1 1 5 1911 1 1 14 LYS HG2 H 7.749 0.723 -4.978 1.00 . A A . 14 LYS HG2 1 1 5 1912 1 1 14 LYS HG3 H 6.964 1.869 -3.893 1.00 . A A . 14 LYS HG3 1 1 5 1913 1 1 14 LYS HZ1 H 9.872 -1.916 -4.355 1.00 . A A . 14 LYS HZ1 1 1 5 1914 1 1 14 LYS HZ2 H 8.192 -2.040 -4.202 1.00 . A A . 14 LYS HZ2 1 1 5 1915 1 1 14 LYS HZ3 H 9.192 -2.474 -2.909 1.00 . A A . 14 LYS HZ3 1 1 5 1916 1 1 14 LYS N N 4.111 2.066 -5.333 1.00 . A A . 14 LYS N 1 1 5 1917 1 1 14 LYS NZ N 9.072 -1.808 -3.699 1.00 . A A . 14 LYS NZ 1 1 5 1918 1 1 14 LYS O O 5.490 1.542 -2.063 1.00 . A A . 14 LYS O 1 1 5 1919 1 1 15 ASN C C 3.740 3.473 -0.494 1.00 . A A . 15 ASN C 1 1 5 1920 1 1 15 ASN CA C 4.408 4.069 -1.729 1.00 . A A . 15 ASN CA 1 1 5 1921 1 1 15 ASN CB C 3.841 5.459 -2.016 1.00 . A A . 15 ASN CB 1 1 5 1922 1 1 15 ASN CG C 2.458 5.410 -2.637 1.00 . A A . 15 ASN CG 1 1 5 1923 1 1 15 ASN H H 3.655 3.519 -3.617 1.00 . A A . 15 ASN H 1 1 5 1924 1 1 15 ASN HA H 5.469 4.152 -1.547 1.00 . A A . 15 ASN HA 1 1 5 1925 1 1 15 ASN HB2 H 3.777 6.007 -1.094 1.00 . A A . 15 ASN HB2 1 1 5 1926 1 1 15 ASN HB3 H 4.502 5.979 -2.694 1.00 . A A . 15 ASN HB3 1 1 5 1927 1 1 15 ASN HD21 H 3.041 6.633 -4.091 1.00 . A A . 15 ASN HD21 1 1 5 1928 1 1 15 ASN HD22 H 1.396 6.109 -4.165 1.00 . A A . 15 ASN HD22 1 1 5 1929 1 1 15 ASN N N 4.217 3.206 -2.882 1.00 . A A . 15 ASN N 1 1 5 1930 1 1 15 ASN ND2 N 2.280 6.122 -3.743 1.00 . A A . 15 ASN ND2 1 1 5 1931 1 1 15 ASN O O 2.678 3.927 -0.068 1.00 . A A . 15 ASN O 1 1 5 1932 1 1 15 ASN OD1 O 1.560 4.738 -2.129 1.00 . A A . 15 ASN OD1 1 1 5 1933 1 1 16 VAL C C 3.419 2.780 2.331 1.00 . A A . 16 VAL C 1 1 5 1934 1 1 16 VAL CA C 3.842 1.779 1.259 1.00 . A A . 16 VAL CA 1 1 5 1935 1 1 16 VAL CB C 4.874 0.809 1.861 1.00 . A A . 16 VAL CB 1 1 5 1936 1 1 16 VAL CG1 C 4.246 -0.020 2.971 1.00 . A A . 16 VAL CG1 1 1 5 1937 1 1 16 VAL CG2 C 5.459 -0.087 0.781 1.00 . A A . 16 VAL CG2 1 1 5 1938 1 1 16 VAL H H 5.212 2.134 -0.316 1.00 . A A . 16 VAL H 1 1 5 1939 1 1 16 VAL HA H 2.979 1.206 0.959 1.00 . A A . 16 VAL HA 1 1 5 1940 1 1 16 VAL HB H 5.674 1.391 2.288 1.00 . A A . 16 VAL HB 1 1 5 1941 1 1 16 VAL HG11 H 3.180 -0.085 2.813 1.00 . A A . 16 VAL HG11 1 1 5 1942 1 1 16 VAL HG12 H 4.441 0.448 3.925 1.00 . A A . 16 VAL HG12 1 1 5 1943 1 1 16 VAL HG13 H 4.672 -1.013 2.964 1.00 . A A . 16 VAL HG13 1 1 5 1944 1 1 16 VAL HG21 H 5.690 -1.055 1.202 1.00 . A A . 16 VAL HG21 1 1 5 1945 1 1 16 VAL HG22 H 6.361 0.360 0.391 1.00 . A A . 16 VAL HG22 1 1 5 1946 1 1 16 VAL HG23 H 4.741 -0.205 -0.018 1.00 . A A . 16 VAL HG23 1 1 5 1947 1 1 16 VAL N N 4.371 2.450 0.075 1.00 . A A . 16 VAL N 1 1 5 1948 1 1 16 VAL O O 2.397 2.599 2.992 1.00 . A A . 16 VAL O 1 1 5 1949 1 1 17 LEU C C 2.553 5.490 3.226 1.00 . A A . 17 LEU C 1 1 5 1950 1 1 17 LEU CA C 3.911 4.858 3.493 1.00 . A A . 17 LEU CA 1 1 5 1951 1 1 17 LEU CB C 5.000 5.932 3.492 1.00 . A A . 17 LEU CB 1 1 5 1952 1 1 17 LEU CD1 C 7.399 6.287 2.857 1.00 . A A . 17 LEU CD1 1 1 5 1953 1 1 17 LEU CD2 C 6.829 5.326 5.094 1.00 . A A . 17 LEU CD2 1 1 5 1954 1 1 17 LEU CG C 6.429 5.406 3.628 1.00 . A A . 17 LEU CG 1 1 5 1955 1 1 17 LEU H H 5.013 3.927 1.945 1.00 . A A . 17 LEU H 1 1 5 1956 1 1 17 LEU HA H 3.886 4.384 4.456 1.00 . A A . 17 LEU HA 1 1 5 1957 1 1 17 LEU HB2 H 4.928 6.486 2.567 1.00 . A A . 17 LEU HB2 1 1 5 1958 1 1 17 LEU HB3 H 4.810 6.607 4.311 1.00 . A A . 17 LEU HB3 1 1 5 1959 1 1 17 LEU HD11 H 8.206 5.682 2.471 1.00 . A A . 17 LEU HD11 1 1 5 1960 1 1 17 LEU HD12 H 7.799 7.044 3.515 1.00 . A A . 17 LEU HD12 1 1 5 1961 1 1 17 LEU HD13 H 6.880 6.761 2.036 1.00 . A A . 17 LEU HD13 1 1 5 1962 1 1 17 LEU HD21 H 7.281 6.259 5.395 1.00 . A A . 17 LEU HD21 1 1 5 1963 1 1 17 LEU HD22 H 7.537 4.522 5.231 1.00 . A A . 17 LEU HD22 1 1 5 1964 1 1 17 LEU HD23 H 5.952 5.140 5.696 1.00 . A A . 17 LEU HD23 1 1 5 1965 1 1 17 LEU HG H 6.480 4.410 3.212 1.00 . A A . 17 LEU HG 1 1 5 1966 1 1 17 LEU N N 4.211 3.835 2.500 1.00 . A A . 17 LEU N 1 1 5 1967 1 1 17 LEU O O 1.822 5.841 4.152 1.00 . A A . 17 LEU O 1 1 5 1968 1 1 18 ASN C C -0.189 5.214 1.749 1.00 . A A . 18 ASN C 1 1 5 1969 1 1 18 ASN CA C 0.951 6.205 1.543 1.00 . A A . 18 ASN CA 1 1 5 1970 1 1 18 ASN CB C 1.010 6.638 0.076 1.00 . A A . 18 ASN CB 1 1 5 1971 1 1 18 ASN CG C 0.755 8.123 -0.100 1.00 . A A . 18 ASN CG 1 1 5 1972 1 1 18 ASN H H 2.852 5.317 1.268 1.00 . A A . 18 ASN H 1 1 5 1973 1 1 18 ASN HA H 0.771 7.072 2.158 1.00 . A A . 18 ASN HA 1 1 5 1974 1 1 18 ASN HB2 H 1.987 6.412 -0.321 1.00 . A A . 18 ASN HB2 1 1 5 1975 1 1 18 ASN HB3 H 0.264 6.095 -0.486 1.00 . A A . 18 ASN HB3 1 1 5 1976 1 1 18 ASN HD21 H 2.653 8.525 0.331 1.00 . A A . 18 ASN HD21 1 1 5 1977 1 1 18 ASN HD22 H 1.656 9.893 -0.016 1.00 . A A . 18 ASN HD22 1 1 5 1978 1 1 18 ASN N N 2.223 5.624 1.951 1.00 . A A . 18 ASN N 1 1 5 1979 1 1 18 ASN ND2 N 1.793 8.928 0.091 1.00 . A A . 18 ASN ND2 1 1 5 1980 1 1 18 ASN O O -1.326 5.603 2.014 1.00 . A A . 18 ASN O 1 1 5 1981 1 1 18 ASN OD1 O -0.362 8.541 -0.404 1.00 . A A . 18 ASN OD1 1 1 5 1982 1 1 19 HIS C C -1.144 2.610 3.263 1.00 . A A . 19 HIS C 1 1 5 1983 1 1 19 HIS CA C -0.870 2.878 1.783 1.00 . A A . 19 HIS CA 1 1 5 1984 1 1 19 HIS CB C -0.408 1.597 1.073 1.00 . A A . 19 HIS CB 1 1 5 1985 1 1 19 HIS CD2 C -0.434 -0.566 2.483 1.00 . A A . 19 HIS CD2 1 1 5 1986 1 1 19 HIS CE1 C -2.464 -1.186 2.009 1.00 . A A . 19 HIS CE1 1 1 5 1987 1 1 19 HIS CG C -0.991 0.335 1.637 1.00 . A A . 19 HIS CG 1 1 5 1988 1 1 19 HIS H H 1.049 3.685 1.402 1.00 . A A . 19 HIS H 1 1 5 1989 1 1 19 HIS HA H -1.781 3.221 1.323 1.00 . A A . 19 HIS HA 1 1 5 1990 1 1 19 HIS HB2 H -0.688 1.652 0.032 1.00 . A A . 19 HIS HB2 1 1 5 1991 1 1 19 HIS HB3 H 0.667 1.526 1.144 1.00 . A A . 19 HIS HB3 1 1 5 1992 1 1 19 HIS HD2 H 0.555 -0.527 2.906 1.00 . A A . 19 HIS HD2 1 1 5 1993 1 1 19 HIS HE1 H -3.395 -1.730 2.015 1.00 . A A . 19 HIS HE1 1 1 5 1994 1 1 19 HIS HE2 H -1.218 -2.403 3.134 1.00 . A A . 19 HIS HE2 1 1 5 1995 1 1 19 HIS N N 0.125 3.930 1.619 1.00 . A A . 19 HIS N 1 1 5 1996 1 1 19 HIS ND1 N -2.272 -0.067 1.342 1.00 . A A . 19 HIS ND1 1 1 5 1997 1 1 19 HIS NE2 N -1.378 -1.532 2.714 1.00 . A A . 19 HIS NE2 1 1 5 1998 1 1 19 HIS O O -2.275 2.743 3.728 1.00 . A A . 19 HIS O 1 1 5 1999 1 1 20 MET C C -0.865 3.118 6.172 1.00 . A A . 20 MET C 1 1 5 2000 1 1 20 MET CA C -0.246 1.940 5.422 1.00 . A A . 20 MET CA 1 1 5 2001 1 1 20 MET CB C 1.115 1.594 6.029 1.00 . A A . 20 MET CB 1 1 5 2002 1 1 20 MET CE C 2.965 -1.945 6.969 1.00 . A A . 20 MET CE 1 1 5 2003 1 1 20 MET CG C 1.500 0.133 5.865 1.00 . A A . 20 MET CG 1 1 5 2004 1 1 20 MET H H 0.773 2.137 3.575 1.00 . A A . 20 MET H 1 1 5 2005 1 1 20 MET HA H -0.900 1.088 5.521 1.00 . A A . 20 MET HA 1 1 5 2006 1 1 20 MET HB2 H 1.873 2.199 5.554 1.00 . A A . 20 MET HB2 1 1 5 2007 1 1 20 MET HB3 H 1.094 1.822 7.085 1.00 . A A . 20 MET HB3 1 1 5 2008 1 1 20 MET HE1 H 1.916 -2.175 7.089 1.00 . A A . 20 MET HE1 1 1 5 2009 1 1 20 MET HE2 H 3.481 -2.121 7.901 1.00 . A A . 20 MET HE2 1 1 5 2010 1 1 20 MET HE3 H 3.385 -2.575 6.199 1.00 . A A . 20 MET HE3 1 1 5 2011 1 1 20 MET HG2 H 0.785 -0.476 6.398 1.00 . A A . 20 MET HG2 1 1 5 2012 1 1 20 MET HG3 H 1.472 -0.117 4.815 1.00 . A A . 20 MET HG3 1 1 5 2013 1 1 20 MET N N -0.106 2.229 3.998 1.00 . A A . 20 MET N 1 1 5 2014 1 1 20 MET O O -1.433 2.948 7.251 1.00 . A A . 20 MET O 1 1 5 2015 1 1 20 MET SD S 3.149 -0.226 6.500 1.00 . A A . 20 MET SD 1 1 5 2016 1 1 21 THR C C -2.825 5.498 6.206 1.00 . A A . 21 THR C 1 1 5 2017 1 1 21 THR CA C -1.294 5.512 6.220 1.00 . A A . 21 THR CA 1 1 5 2018 1 1 21 THR CB C -0.750 6.762 5.507 1.00 . A A . 21 THR CB 1 1 5 2019 1 1 21 THR CG2 C -1.803 7.806 5.186 1.00 . A A . 21 THR CG2 1 1 5 2020 1 1 21 THR H H -0.283 4.389 4.743 1.00 . A A . 21 THR H 1 1 5 2021 1 1 21 THR HA H -0.961 5.526 7.245 1.00 . A A . 21 THR HA 1 1 5 2022 1 1 21 THR HB H -0.293 6.458 4.576 1.00 . A A . 21 THR HB 1 1 5 2023 1 1 21 THR HG1 H -0.147 7.671 7.133 1.00 . A A . 21 THR HG1 1 1 5 2024 1 1 21 THR HG21 H -2.257 8.154 6.102 1.00 . A A . 21 THR HG21 1 1 5 2025 1 1 21 THR HG22 H -2.561 7.370 4.552 1.00 . A A . 21 THR HG22 1 1 5 2026 1 1 21 THR HG23 H -1.341 8.638 4.675 1.00 . A A . 21 THR HG23 1 1 5 2027 1 1 21 THR N N -0.749 4.312 5.600 1.00 . A A . 21 THR N 1 1 5 2028 1 1 21 THR O O -3.463 6.222 6.971 1.00 . A A . 21 THR O 1 1 5 2029 1 1 21 THR OG1 O 0.240 7.393 6.300 1.00 . A A . 21 THR OG1 1 1 5 2030 1 1 22 HIS C C -5.366 3.162 5.201 1.00 . A A . 22 HIS C 1 1 5 2031 1 1 22 HIS CA C -4.868 4.603 5.230 1.00 . A A . 22 HIS CA 1 1 5 2032 1 1 22 HIS CB C -5.355 5.327 3.974 1.00 . A A . 22 HIS CB 1 1 5 2033 1 1 22 HIS CD2 C -4.435 3.505 2.339 1.00 . A A . 22 HIS CD2 1 1 5 2034 1 1 22 HIS CE1 C -4.135 4.791 0.593 1.00 . A A . 22 HIS CE1 1 1 5 2035 1 1 22 HIS CG C -4.816 4.765 2.688 1.00 . A A . 22 HIS CG 1 1 5 2036 1 1 22 HIS H H -2.855 4.135 4.740 1.00 . A A . 22 HIS H 1 1 5 2037 1 1 22 HIS HA H -5.285 5.094 6.096 1.00 . A A . 22 HIS HA 1 1 5 2038 1 1 22 HIS HB2 H -6.432 5.270 3.931 1.00 . A A . 22 HIS HB2 1 1 5 2039 1 1 22 HIS HB3 H -5.059 6.365 4.031 1.00 . A A . 22 HIS HB3 1 1 5 2040 1 1 22 HIS HD1 H -4.795 6.502 1.497 1.00 . A A . 22 HIS HD1 1 1 5 2041 1 1 22 HIS HD2 H -4.461 2.618 2.963 1.00 . A A . 22 HIS HD2 1 1 5 2042 1 1 22 HIS HE1 H -3.889 5.130 -0.404 1.00 . A A . 22 HIS HE1 1 1 5 2043 1 1 22 HIS HE2 H -3.459 2.873 0.610 1.00 . A A . 22 HIS HE2 1 1 5 2044 1 1 22 HIS N N -3.411 4.684 5.331 1.00 . A A . 22 HIS N 1 1 5 2045 1 1 22 HIS ND1 N -4.614 5.542 1.567 1.00 . A A . 22 HIS ND1 1 1 5 2046 1 1 22 HIS NE2 N -4.014 3.554 1.035 1.00 . A A . 22 HIS NE2 1 1 5 2047 1 1 22 HIS O O -6.572 2.918 5.253 1.00 . A A . 22 HIS O 1 1 5 2048 1 1 23 CYS C C -4.284 0.045 6.218 1.00 . A A . 23 CYS C 1 1 5 2049 1 1 23 CYS CA C -4.814 0.818 5.014 1.00 . A A . 23 CYS CA 1 1 5 2050 1 1 23 CYS CB C -4.248 0.250 3.723 1.00 . A A . 23 CYS CB 1 1 5 2051 1 1 23 CYS H H -3.507 2.449 5.020 1.00 . A A . 23 CYS H 1 1 5 2052 1 1 23 CYS HA H -5.890 0.747 4.990 1.00 . A A . 23 CYS HA 1 1 5 2053 1 1 23 CYS HB2 H -3.404 0.852 3.422 1.00 . A A . 23 CYS HB2 1 1 5 2054 1 1 23 CYS HB3 H -3.912 -0.751 3.902 1.00 . A A . 23 CYS HB3 1 1 5 2055 1 1 23 CYS N N -4.450 2.212 5.086 1.00 . A A . 23 CYS N 1 1 5 2056 1 1 23 CYS O O -3.254 0.399 6.792 1.00 . A A . 23 CYS O 1 1 5 2057 1 1 23 CYS SG S -5.425 0.224 2.328 1.00 . A A . 23 CYS SG 1 1 5 2058 1 1 24 GLN C C -4.036 -3.175 7.263 1.00 . A A . 24 GLN C 1 1 5 2059 1 1 24 GLN CA C -4.596 -1.836 7.731 1.00 . A A . 24 GLN CA 1 1 5 2060 1 1 24 GLN CB C -5.787 -2.067 8.664 1.00 . A A . 24 GLN CB 1 1 5 2061 1 1 24 GLN CD C -8.283 -2.427 8.532 1.00 . A A . 24 GLN CD 1 1 5 2062 1 1 24 GLN CG C -6.920 -2.850 8.021 1.00 . A A . 24 GLN CG 1 1 5 2063 1 1 24 GLN H H -5.807 -1.246 6.098 1.00 . A A . 24 GLN H 1 1 5 2064 1 1 24 GLN HA H -3.825 -1.306 8.270 1.00 . A A . 24 GLN HA 1 1 5 2065 1 1 24 GLN HB2 H -5.448 -2.612 9.532 1.00 . A A . 24 GLN HB2 1 1 5 2066 1 1 24 GLN HB3 H -6.173 -1.108 8.978 1.00 . A A . 24 GLN HB3 1 1 5 2067 1 1 24 GLN HE21 H -8.771 -4.325 8.873 1.00 . A A . 24 GLN HE21 1 1 5 2068 1 1 24 GLN HE22 H -9.982 -3.157 9.266 1.00 . A A . 24 GLN HE22 1 1 5 2069 1 1 24 GLN HG2 H -6.889 -2.693 6.953 1.00 . A A . 24 GLN HG2 1 1 5 2070 1 1 24 GLN HG3 H -6.781 -3.900 8.234 1.00 . A A . 24 GLN HG3 1 1 5 2071 1 1 24 GLN N N -4.995 -1.013 6.595 1.00 . A A . 24 GLN N 1 1 5 2072 1 1 24 GLN NE2 N -9.094 -3.401 8.930 1.00 . A A . 24 GLN NE2 1 1 5 2073 1 1 24 GLN O O -4.112 -3.510 6.080 1.00 . A A . 24 GLN O 1 1 5 2074 1 1 24 GLN OE1 O -8.605 -1.240 8.570 1.00 . A A . 24 GLN OE1 1 1 5 2075 1 1 25 ALA C C -1.459 -5.109 7.402 1.00 . A A . 25 ALA C 1 1 5 2076 1 1 25 ALA CA C -2.891 -5.246 7.904 1.00 . A A . 25 ALA CA 1 1 5 2077 1 1 25 ALA CB C -3.741 -6.007 6.893 1.00 . A A . 25 ALA CB 1 1 5 2078 1 1 25 ALA H H -3.445 -3.605 9.124 1.00 . A A . 25 ALA H 1 1 5 2079 1 1 25 ALA HA H -2.880 -5.814 8.824 1.00 . A A . 25 ALA HA 1 1 5 2080 1 1 25 ALA HB1 H -4.739 -5.595 6.879 1.00 . A A . 25 ALA HB1 1 1 5 2081 1 1 25 ALA HB2 H -3.785 -7.049 7.172 1.00 . A A . 25 ALA HB2 1 1 5 2082 1 1 25 ALA HB3 H -3.299 -5.916 5.911 1.00 . A A . 25 ALA HB3 1 1 5 2083 1 1 25 ALA N N -3.472 -3.936 8.202 1.00 . A A . 25 ALA N 1 1 5 2084 1 1 25 ALA O O -1.166 -4.269 6.551 1.00 . A A . 25 ALA O 1 1 5 2085 1 1 26 GLY C C 1.706 -5.209 8.552 1.00 . A A . 26 GLY C 1 1 5 2086 1 1 26 GLY CA C 0.824 -5.896 7.528 1.00 . A A . 26 GLY CA 1 1 5 2087 1 1 26 GLY H H -0.859 -6.589 8.609 1.00 . A A . 26 GLY H 1 1 5 2088 1 1 26 GLY HA2 H 1.178 -6.906 7.384 1.00 . A A . 26 GLY HA2 1 1 5 2089 1 1 26 GLY HA3 H 0.897 -5.363 6.591 1.00 . A A . 26 GLY HA3 1 1 5 2090 1 1 26 GLY N N -0.568 -5.940 7.935 1.00 . A A . 26 GLY N 1 1 5 2091 1 1 26 GLY O O 2.635 -4.484 8.195 1.00 . A A . 26 GLY O 1 1 5 2092 1 1 27 LYS C C 2.122 -3.311 10.840 1.00 . A A . 27 LYS C 1 1 5 2093 1 1 27 LYS CA C 2.187 -4.834 10.908 1.00 . A A . 27 LYS CA 1 1 5 2094 1 1 27 LYS CB C 3.644 -5.297 10.840 1.00 . A A . 27 LYS CB 1 1 5 2095 1 1 27 LYS CD C 5.065 -7.364 10.983 1.00 . A A . 27 LYS CD 1 1 5 2096 1 1 27 LYS CE C 5.007 -8.838 11.351 1.00 . A A . 27 LYS CE 1 1 5 2097 1 1 27 LYS CG C 3.906 -6.592 11.592 1.00 . A A . 27 LYS CG 1 1 5 2098 1 1 27 LYS H H 0.661 -6.023 10.050 1.00 . A A . 27 LYS H 1 1 5 2099 1 1 27 LYS HA H 1.759 -5.159 11.844 1.00 . A A . 27 LYS HA 1 1 5 2100 1 1 27 LYS HB2 H 3.915 -5.445 9.806 1.00 . A A . 27 LYS HB2 1 1 5 2101 1 1 27 LYS HB3 H 4.274 -4.528 11.262 1.00 . A A . 27 LYS HB3 1 1 5 2102 1 1 27 LYS HD2 H 5.023 -7.270 9.908 1.00 . A A . 27 LYS HD2 1 1 5 2103 1 1 27 LYS HD3 H 5.993 -6.948 11.347 1.00 . A A . 27 LYS HD3 1 1 5 2104 1 1 27 LYS HE2 H 4.010 -9.206 11.157 1.00 . A A . 27 LYS HE2 1 1 5 2105 1 1 27 LYS HE3 H 5.714 -9.377 10.738 1.00 . A A . 27 LYS HE3 1 1 5 2106 1 1 27 LYS HG2 H 4.141 -6.360 12.619 1.00 . A A . 27 LYS HG2 1 1 5 2107 1 1 27 LYS HG3 H 3.017 -7.205 11.554 1.00 . A A . 27 LYS HG3 1 1 5 2108 1 1 27 LYS HZ1 H 5.410 -10.085 12.977 1.00 . A A . 27 LYS HZ1 1 1 5 2109 1 1 27 LYS HZ2 H 4.591 -8.665 13.391 1.00 . A A . 27 LYS HZ2 1 1 5 2110 1 1 27 LYS HZ3 H 6.240 -8.612 13.021 1.00 . A A . 27 LYS HZ3 1 1 5 2111 1 1 27 LYS N N 1.414 -5.436 9.829 1.00 . A A . 27 LYS N 1 1 5 2112 1 1 27 LYS NZ N 5.335 -9.066 12.785 1.00 . A A . 27 LYS NZ 1 1 5 2113 1 1 27 LYS O O 1.292 -2.723 11.564 1.00 . A A . 27 LYS O 1 1 5 2114 1 1 27 LYS OXT O 2.903 -2.721 10.064 1.00 . A A . 27 LYS OXT 1 1 5 2115 2 2 1 ZN ZN ZN -4.065 0.057 0.475 1.00 . B A . 28 ZN ZN 1 1 6 2116 1 1 1 GLU C C 1.185 -2.747 1.468 1.00 . A A . 1 GLU C 1 1 6 2117 1 1 1 GLU CA C 2.050 -2.914 2.709 1.00 . A A . 1 GLU CA 1 1 6 2118 1 1 1 GLU CB C 2.899 -4.181 2.597 1.00 . A A . 1 GLU CB 1 1 6 2119 1 1 1 GLU CD C 5.327 -4.874 2.674 1.00 . A A . 1 GLU CD 1 1 6 2120 1 1 1 GLU CG C 4.214 -4.102 3.355 1.00 . A A . 1 GLU CG 1 1 6 2121 1 1 1 GLU H1 H 1.821 -3.372 4.702 1.00 . A A . 1 GLU H1 1 1 6 2122 1 1 1 GLU H2 H 0.430 -3.656 3.737 1.00 . A A . 1 GLU H2 1 1 6 2123 1 1 1 GLU H3 H 0.872 -2.052 4.159 1.00 . A A . 1 GLU H3 1 1 6 2124 1 1 1 GLU HA H 2.701 -2.056 2.797 1.00 . A A . 1 GLU HA 1 1 6 2125 1 1 1 GLU HB2 H 2.334 -5.015 2.985 1.00 . A A . 1 GLU HB2 1 1 6 2126 1 1 1 GLU HB3 H 3.120 -4.362 1.555 1.00 . A A . 1 GLU HB3 1 1 6 2127 1 1 1 GLU HG2 H 4.509 -3.067 3.432 1.00 . A A . 1 GLU HG2 1 1 6 2128 1 1 1 GLU HG3 H 4.068 -4.508 4.346 1.00 . A A . 1 GLU HG3 1 1 6 2129 1 1 1 GLU N N 1.219 -3.006 3.938 1.00 . A A . 1 GLU N 1 1 6 2130 1 1 1 GLU O O 0.155 -3.405 1.320 1.00 . A A . 1 GLU O 1 1 6 2131 1 1 1 GLU OE1 O 5.215 -6.113 2.573 1.00 . A A . 1 GLU OE1 1 1 6 2132 1 1 1 GLU OE2 O 6.312 -4.238 2.242 1.00 . A A . 1 GLU OE2 1 1 6 2133 1 1 2 VAL C C 0.868 -2.816 -1.561 1.00 . A A . 2 VAL C 1 1 6 2134 1 1 2 VAL CA C 0.885 -1.591 -0.651 1.00 . A A . 2 VAL CA 1 1 6 2135 1 1 2 VAL CB C 1.503 -0.399 -1.406 1.00 . A A . 2 VAL CB 1 1 6 2136 1 1 2 VAL CG1 C 2.872 -0.761 -1.967 1.00 . A A . 2 VAL CG1 1 1 6 2137 1 1 2 VAL CG2 C 0.572 0.078 -2.511 1.00 . A A . 2 VAL CG2 1 1 6 2138 1 1 2 VAL H H 2.441 -1.366 0.761 1.00 . A A . 2 VAL H 1 1 6 2139 1 1 2 VAL HA H -0.131 -1.336 -0.389 1.00 . A A . 2 VAL HA 1 1 6 2140 1 1 2 VAL HB H 1.635 0.410 -0.702 1.00 . A A . 2 VAL HB 1 1 6 2141 1 1 2 VAL HG11 H 2.780 -0.991 -3.018 1.00 . A A . 2 VAL HG11 1 1 6 2142 1 1 2 VAL HG12 H 3.259 -1.622 -1.442 1.00 . A A . 2 VAL HG12 1 1 6 2143 1 1 2 VAL HG13 H 3.546 0.072 -1.838 1.00 . A A . 2 VAL HG13 1 1 6 2144 1 1 2 VAL HG21 H -0.168 -0.683 -2.712 1.00 . A A . 2 VAL HG21 1 1 6 2145 1 1 2 VAL HG22 H 1.143 0.270 -3.407 1.00 . A A . 2 VAL HG22 1 1 6 2146 1 1 2 VAL HG23 H 0.078 0.986 -2.198 1.00 . A A . 2 VAL HG23 1 1 6 2147 1 1 2 VAL N N 1.613 -1.859 0.581 1.00 . A A . 2 VAL N 1 1 6 2148 1 1 2 VAL O O -0.077 -3.022 -2.324 1.00 . A A . 2 VAL O 1 1 6 2149 1 1 3 ARG C C 0.984 -5.862 -1.876 1.00 . A A . 3 ARG C 1 1 6 2150 1 1 3 ARG CA C 2.025 -4.828 -2.291 1.00 . A A . 3 ARG CA 1 1 6 2151 1 1 3 ARG CB C 3.429 -5.426 -2.174 1.00 . A A . 3 ARG CB 1 1 6 2152 1 1 3 ARG CD C 4.726 -5.289 -4.322 1.00 . A A . 3 ARG CD 1 1 6 2153 1 1 3 ARG CG C 3.878 -6.171 -3.420 1.00 . A A . 3 ARG CG 1 1 6 2154 1 1 3 ARG CZ C 5.499 -5.323 -6.662 1.00 . A A . 3 ARG CZ 1 1 6 2155 1 1 3 ARG H H 2.640 -3.407 -0.849 1.00 . A A . 3 ARG H 1 1 6 2156 1 1 3 ARG HA H 1.848 -4.549 -3.319 1.00 . A A . 3 ARG HA 1 1 6 2157 1 1 3 ARG HB2 H 4.132 -4.629 -1.984 1.00 . A A . 3 ARG HB2 1 1 6 2158 1 1 3 ARG HB3 H 3.446 -6.115 -1.343 1.00 . A A . 3 ARG HB3 1 1 6 2159 1 1 3 ARG HD2 H 4.394 -4.266 -4.218 1.00 . A A . 3 ARG HD2 1 1 6 2160 1 1 3 ARG HD3 H 5.758 -5.365 -4.011 1.00 . A A . 3 ARG HD3 1 1 6 2161 1 1 3 ARG HE H 3.860 -6.239 -5.985 1.00 . A A . 3 ARG HE 1 1 6 2162 1 1 3 ARG HG2 H 4.461 -7.030 -3.124 1.00 . A A . 3 ARG HG2 1 1 6 2163 1 1 3 ARG HG3 H 3.005 -6.497 -3.967 1.00 . A A . 3 ARG HG3 1 1 6 2164 1 1 3 ARG HH11 H 6.677 -4.261 -5.405 1.00 . A A . 3 ARG HH11 1 1 6 2165 1 1 3 ARG HH12 H 7.198 -4.301 -7.056 1.00 . A A . 3 ARG HH12 1 1 6 2166 1 1 3 ARG HH21 H 4.545 -6.293 -8.156 1.00 . A A . 3 ARG HH21 1 1 6 2167 1 1 3 ARG HH22 H 5.988 -5.454 -8.618 1.00 . A A . 3 ARG HH22 1 1 6 2168 1 1 3 ARG N N 1.919 -3.625 -1.476 1.00 . A A . 3 ARG N 1 1 6 2169 1 1 3 ARG NE N 4.623 -5.680 -5.726 1.00 . A A . 3 ARG NE 1 1 6 2170 1 1 3 ARG NH1 N 6.544 -4.566 -6.348 1.00 . A A . 3 ARG NH1 1 1 6 2171 1 1 3 ARG NH2 N 5.330 -5.722 -7.915 1.00 . A A . 3 ARG NH2 1 1 6 2172 1 1 3 ARG O O 0.542 -6.673 -2.690 1.00 . A A . 3 ARG O 1 1 6 2173 1 1 4 ALA C C -1.801 -6.177 -0.117 1.00 . A A . 4 ALA C 1 1 6 2174 1 1 4 ALA CA C -0.393 -6.767 -0.086 1.00 . A A . 4 ALA CA 1 1 6 2175 1 1 4 ALA CB C -0.027 -7.190 1.328 1.00 . A A . 4 ALA CB 1 1 6 2176 1 1 4 ALA H H 0.984 -5.162 -0.002 1.00 . A A . 4 ALA H 1 1 6 2177 1 1 4 ALA HA H -0.373 -7.645 -0.713 1.00 . A A . 4 ALA HA 1 1 6 2178 1 1 4 ALA HB1 H -0.821 -7.794 1.741 1.00 . A A . 4 ALA HB1 1 1 6 2179 1 1 4 ALA HB2 H 0.113 -6.312 1.942 1.00 . A A . 4 ALA HB2 1 1 6 2180 1 1 4 ALA HB3 H 0.888 -7.763 1.308 1.00 . A A . 4 ALA HB3 1 1 6 2181 1 1 4 ALA N N 0.596 -5.830 -0.605 1.00 . A A . 4 ALA N 1 1 6 2182 1 1 4 ALA O O -2.762 -6.828 0.293 1.00 . A A . 4 ALA O 1 1 6 2183 1 1 5 CYS C C -4.046 -4.849 -1.832 1.00 . A A . 5 CYS C 1 1 6 2184 1 1 5 CYS CA C -3.216 -4.284 -0.686 1.00 . A A . 5 CYS CA 1 1 6 2185 1 1 5 CYS CB C -3.044 -2.779 -0.881 1.00 . A A . 5 CYS CB 1 1 6 2186 1 1 5 CYS H H -1.124 -4.477 -0.920 1.00 . A A . 5 CYS H 1 1 6 2187 1 1 5 CYS HA H -3.736 -4.458 0.244 1.00 . A A . 5 CYS HA 1 1 6 2188 1 1 5 CYS HB2 H -2.266 -2.423 -0.229 1.00 . A A . 5 CYS HB2 1 1 6 2189 1 1 5 CYS HB3 H -2.766 -2.584 -1.906 1.00 . A A . 5 CYS HB3 1 1 6 2190 1 1 5 CYS N N -1.921 -4.947 -0.605 1.00 . A A . 5 CYS N 1 1 6 2191 1 1 5 CYS O O -3.511 -5.465 -2.755 1.00 . A A . 5 CYS O 1 1 6 2192 1 1 5 CYS SG S -4.548 -1.819 -0.522 1.00 . A A . 5 CYS SG 1 1 6 2193 1 1 6 SER C C -6.970 -3.925 -3.485 1.00 . A A . 6 SER C 1 1 6 2194 1 1 6 SER CA C -6.256 -5.097 -2.813 1.00 . A A . 6 SER CA 1 1 6 2195 1 1 6 SER CB C -7.283 -6.065 -2.223 1.00 . A A . 6 SER CB 1 1 6 2196 1 1 6 SER H H -5.718 -4.120 -1.018 1.00 . A A . 6 SER H 1 1 6 2197 1 1 6 SER HA H -5.668 -5.617 -3.554 1.00 . A A . 6 SER HA 1 1 6 2198 1 1 6 SER HB2 H -7.978 -5.517 -1.604 1.00 . A A . 6 SER HB2 1 1 6 2199 1 1 6 SER HB3 H -7.821 -6.548 -3.026 1.00 . A A . 6 SER HB3 1 1 6 2200 1 1 6 SER HG H -6.012 -7.533 -1.966 1.00 . A A . 6 SER HG 1 1 6 2201 1 1 6 SER N N -5.352 -4.623 -1.774 1.00 . A A . 6 SER N 1 1 6 2202 1 1 6 SER O O -7.998 -4.107 -4.137 1.00 . A A . 6 SER O 1 1 6 2203 1 1 6 SER OG O -6.653 -7.058 -1.432 1.00 . A A . 6 SER OG 1 1 6 2204 1 1 7 LEU C C -6.217 -1.056 -5.126 1.00 . A A . 7 LEU C 1 1 6 2205 1 1 7 LEU CA C -7.018 -1.528 -3.914 1.00 . A A . 7 LEU CA 1 1 6 2206 1 1 7 LEU CB C -7.101 -0.403 -2.881 1.00 . A A . 7 LEU CB 1 1 6 2207 1 1 7 LEU CD1 C -7.250 -0.155 -0.385 1.00 . A A . 7 LEU CD1 1 1 6 2208 1 1 7 LEU CD2 C -9.337 -0.204 -1.765 1.00 . A A . 7 LEU CD2 1 1 6 2209 1 1 7 LEU CG C -7.916 -0.731 -1.627 1.00 . A A . 7 LEU CG 1 1 6 2210 1 1 7 LEU H H -5.601 -2.631 -2.789 1.00 . A A . 7 LEU H 1 1 6 2211 1 1 7 LEU HA H -8.017 -1.783 -4.234 1.00 . A A . 7 LEU HA 1 1 6 2212 1 1 7 LEU HB2 H -6.096 -0.146 -2.578 1.00 . A A . 7 LEU HB2 1 1 6 2213 1 1 7 LEU HB3 H -7.545 0.458 -3.355 1.00 . A A . 7 LEU HB3 1 1 6 2214 1 1 7 LEU HD11 H -7.146 -0.930 0.360 1.00 . A A . 7 LEU HD11 1 1 6 2215 1 1 7 LEU HD12 H -7.857 0.646 0.012 1.00 . A A . 7 LEU HD12 1 1 6 2216 1 1 7 LEU HD13 H -6.274 0.228 -0.643 1.00 . A A . 7 LEU HD13 1 1 6 2217 1 1 7 LEU HD21 H -9.333 0.871 -1.660 1.00 . A A . 7 LEU HD21 1 1 6 2218 1 1 7 LEU HD22 H -9.959 -0.639 -0.996 1.00 . A A . 7 LEU HD22 1 1 6 2219 1 1 7 LEU HD23 H -9.727 -0.470 -2.736 1.00 . A A . 7 LEU HD23 1 1 6 2220 1 1 7 LEU HG H -7.967 -1.804 -1.510 1.00 . A A . 7 LEU HG 1 1 6 2221 1 1 7 LEU N N -6.423 -2.720 -3.321 1.00 . A A . 7 LEU N 1 1 6 2222 1 1 7 LEU O O -4.989 -1.139 -5.139 1.00 . A A . 7 LEU O 1 1 6 2223 1 1 8 PRO C C -5.666 1.347 -7.197 1.00 . A A . 8 PRO C 1 1 6 2224 1 1 8 PRO CA C -6.254 -0.052 -7.378 1.00 . A A . 8 PRO CA 1 1 6 2225 1 1 8 PRO CB C -7.396 -0.024 -8.389 1.00 . A A . 8 PRO CB 1 1 6 2226 1 1 8 PRO CD C -8.374 -0.402 -6.231 1.00 . A A . 8 PRO CD 1 1 6 2227 1 1 8 PRO CG C -8.612 0.247 -7.571 1.00 . A A . 8 PRO CG 1 1 6 2228 1 1 8 PRO HA H -5.482 -0.727 -7.717 1.00 . A A . 8 PRO HA 1 1 6 2229 1 1 8 PRO HB2 H -7.222 0.758 -9.113 1.00 . A A . 8 PRO HB2 1 1 6 2230 1 1 8 PRO HB3 H -7.463 -0.979 -8.889 1.00 . A A . 8 PRO HB3 1 1 6 2231 1 1 8 PRO HD2 H -8.735 0.234 -5.436 1.00 . A A . 8 PRO HD2 1 1 6 2232 1 1 8 PRO HD3 H -8.856 -1.367 -6.190 1.00 . A A . 8 PRO HD3 1 1 6 2233 1 1 8 PRO HG2 H -8.743 1.313 -7.452 1.00 . A A . 8 PRO HG2 1 1 6 2234 1 1 8 PRO HG3 H -9.478 -0.186 -8.048 1.00 . A A . 8 PRO HG3 1 1 6 2235 1 1 8 PRO N N -6.906 -0.544 -6.163 1.00 . A A . 8 PRO N 1 1 6 2236 1 1 8 PRO O O -4.940 1.841 -8.059 1.00 . A A . 8 PRO O 1 1 6 2237 1 1 9 HIS C C -4.066 3.259 -5.239 1.00 . A A . 9 HIS C 1 1 6 2238 1 1 9 HIS CA C -5.488 3.319 -5.775 1.00 . A A . 9 HIS CA 1 1 6 2239 1 1 9 HIS CB C -6.390 4.004 -4.747 1.00 . A A . 9 HIS CB 1 1 6 2240 1 1 9 HIS CD2 C -5.086 6.125 -4.029 1.00 . A A . 9 HIS CD2 1 1 6 2241 1 1 9 HIS CE1 C -6.475 7.635 -4.803 1.00 . A A . 9 HIS CE1 1 1 6 2242 1 1 9 HIS CG C -6.122 5.469 -4.602 1.00 . A A . 9 HIS CG 1 1 6 2243 1 1 9 HIS H H -6.565 1.535 -5.420 1.00 . A A . 9 HIS H 1 1 6 2244 1 1 9 HIS HA H -5.497 3.890 -6.691 1.00 . A A . 9 HIS HA 1 1 6 2245 1 1 9 HIS HB2 H -7.421 3.880 -5.041 1.00 . A A . 9 HIS HB2 1 1 6 2246 1 1 9 HIS HB3 H -6.237 3.542 -3.781 1.00 . A A . 9 HIS HB3 1 1 6 2247 1 1 9 HIS HD1 H -7.821 6.284 -5.546 1.00 . A A . 9 HIS HD1 1 1 6 2248 1 1 9 HIS HD2 H -4.227 5.673 -3.552 1.00 . A A . 9 HIS HD2 1 1 6 2249 1 1 9 HIS HE1 H -6.927 8.583 -5.054 1.00 . A A . 9 HIS HE1 1 1 6 2250 1 1 9 HIS HE2 H -4.709 8.188 -3.925 1.00 . A A . 9 HIS HE2 1 1 6 2251 1 1 9 HIS N N -5.985 1.979 -6.070 1.00 . A A . 9 HIS N 1 1 6 2252 1 1 9 HIS ND1 N -6.976 6.443 -5.077 1.00 . A A . 9 HIS ND1 1 1 6 2253 1 1 9 HIS NE2 N -5.330 7.469 -4.167 1.00 . A A . 9 HIS NE2 1 1 6 2254 1 1 9 HIS O O -3.175 3.959 -5.720 1.00 . A A . 9 HIS O 1 1 6 2255 1 1 10 CYS C C -1.559 1.662 -4.606 1.00 . A A . 10 CYS C 1 1 6 2256 1 1 10 CYS CA C -2.559 2.253 -3.617 1.00 . A A . 10 CYS CA 1 1 6 2257 1 1 10 CYS CB C -2.667 1.360 -2.380 1.00 . A A . 10 CYS CB 1 1 6 2258 1 1 10 CYS H H -4.622 1.889 -3.900 1.00 . A A . 10 CYS H 1 1 6 2259 1 1 10 CYS HA H -2.212 3.230 -3.315 1.00 . A A . 10 CYS HA 1 1 6 2260 1 1 10 CYS HB2 H -2.714 0.329 -2.695 1.00 . A A . 10 CYS HB2 1 1 6 2261 1 1 10 CYS HB3 H -1.791 1.503 -1.764 1.00 . A A . 10 CYS HB3 1 1 6 2262 1 1 10 CYS N N -3.867 2.416 -4.235 1.00 . A A . 10 CYS N 1 1 6 2263 1 1 10 CYS O O -0.352 1.867 -4.480 1.00 . A A . 10 CYS O 1 1 6 2264 1 1 10 CYS SG S -4.133 1.688 -1.346 1.00 . A A . 10 CYS SG 1 1 6 2265 1 1 11 ARG C C -0.693 1.367 -7.577 1.00 . A A . 11 ARG C 1 1 6 2266 1 1 11 ARG CA C -1.216 0.316 -6.604 1.00 . A A . 11 ARG CA 1 1 6 2267 1 1 11 ARG CB C -1.986 -0.765 -7.364 1.00 . A A . 11 ARG CB 1 1 6 2268 1 1 11 ARG CD C -1.878 -2.775 -8.870 1.00 . A A . 11 ARG CD 1 1 6 2269 1 1 11 ARG CG C -1.115 -1.592 -8.295 1.00 . A A . 11 ARG CG 1 1 6 2270 1 1 11 ARG CZ C -1.464 -5.131 -9.461 1.00 . A A . 11 ARG CZ 1 1 6 2271 1 1 11 ARG H H -3.040 0.803 -5.644 1.00 . A A . 11 ARG H 1 1 6 2272 1 1 11 ARG HA H -0.378 -0.139 -6.098 1.00 . A A . 11 ARG HA 1 1 6 2273 1 1 11 ARG HB2 H -2.447 -1.432 -6.651 1.00 . A A . 11 ARG HB2 1 1 6 2274 1 1 11 ARG HB3 H -2.758 -0.293 -7.953 1.00 . A A . 11 ARG HB3 1 1 6 2275 1 1 11 ARG HD2 H -2.736 -2.972 -8.245 1.00 . A A . 11 ARG HD2 1 1 6 2276 1 1 11 ARG HD3 H -2.210 -2.522 -9.867 1.00 . A A . 11 ARG HD3 1 1 6 2277 1 1 11 ARG HE H -0.147 -3.927 -8.568 1.00 . A A . 11 ARG HE 1 1 6 2278 1 1 11 ARG HG2 H -0.777 -0.966 -9.107 1.00 . A A . 11 ARG HG2 1 1 6 2279 1 1 11 ARG HG3 H -0.262 -1.959 -7.742 1.00 . A A . 11 ARG HG3 1 1 6 2280 1 1 11 ARG HH11 H -3.304 -4.453 -9.957 1.00 . A A . 11 ARG HH11 1 1 6 2281 1 1 11 ARG HH12 H -2.988 -6.107 -10.362 1.00 . A A . 11 ARG HH12 1 1 6 2282 1 1 11 ARG HH21 H 0.271 -6.102 -9.100 1.00 . A A . 11 ARG HH21 1 1 6 2283 1 1 11 ARG HH22 H -0.959 -7.043 -9.875 1.00 . A A . 11 ARG HH22 1 1 6 2284 1 1 11 ARG N N -2.069 0.930 -5.593 1.00 . A A . 11 ARG N 1 1 6 2285 1 1 11 ARG NE N -1.053 -3.979 -8.935 1.00 . A A . 11 ARG NE 1 1 6 2286 1 1 11 ARG NH1 N -2.686 -5.239 -9.968 1.00 . A A . 11 ARG NH1 1 1 6 2287 1 1 11 ARG NH2 N -0.651 -6.178 -9.480 1.00 . A A . 11 ARG NH2 1 1 6 2288 1 1 11 ARG O O -1.273 1.587 -8.641 1.00 . A A . 11 ARG O 1 1 6 2289 1 1 12 THR C C 2.532 2.981 -7.962 1.00 . A A . 12 THR C 1 1 6 2290 1 1 12 THR CA C 1.005 3.051 -8.035 1.00 . A A . 12 THR CA 1 1 6 2291 1 1 12 THR CB C 0.509 4.428 -7.590 1.00 . A A . 12 THR CB 1 1 6 2292 1 1 12 THR CG2 C 1.127 5.571 -8.365 1.00 . A A . 12 THR CG2 1 1 6 2293 1 1 12 THR H H 0.816 1.799 -6.340 1.00 . A A . 12 THR H 1 1 6 2294 1 1 12 THR HA H 0.696 2.877 -9.055 1.00 . A A . 12 THR HA 1 1 6 2295 1 1 12 THR HB H 0.756 4.561 -6.545 1.00 . A A . 12 THR HB 1 1 6 2296 1 1 12 THR HG1 H -1.240 5.161 -7.100 1.00 . A A . 12 THR HG1 1 1 6 2297 1 1 12 THR HG21 H 1.779 5.177 -9.131 1.00 . A A . 12 THR HG21 1 1 6 2298 1 1 12 THR HG22 H 1.699 6.194 -7.693 1.00 . A A . 12 THR HG22 1 1 6 2299 1 1 12 THR HG23 H 0.347 6.159 -8.825 1.00 . A A . 12 THR HG23 1 1 6 2300 1 1 12 THR N N 0.403 2.017 -7.202 1.00 . A A . 12 THR N 1 1 6 2301 1 1 12 THR O O 3.159 2.208 -8.688 1.00 . A A . 12 THR O 1 1 6 2302 1 1 12 THR OG1 O -0.898 4.523 -7.731 1.00 . A A . 12 THR OG1 1 1 6 2303 1 1 13 MET C C 4.959 2.967 -5.676 1.00 . A A . 13 MET C 1 1 6 2304 1 1 13 MET CA C 4.571 3.785 -6.903 1.00 . A A . 13 MET CA 1 1 6 2305 1 1 13 MET CB C 5.084 5.219 -6.762 1.00 . A A . 13 MET CB 1 1 6 2306 1 1 13 MET CE C 7.011 7.499 -8.421 1.00 . A A . 13 MET CE 1 1 6 2307 1 1 13 MET CG C 4.657 6.133 -7.899 1.00 . A A . 13 MET CG 1 1 6 2308 1 1 13 MET H H 2.581 4.362 -6.512 1.00 . A A . 13 MET H 1 1 6 2309 1 1 13 MET HA H 5.013 3.334 -7.779 1.00 . A A . 13 MET HA 1 1 6 2310 1 1 13 MET HB2 H 4.711 5.633 -5.837 1.00 . A A . 13 MET HB2 1 1 6 2311 1 1 13 MET HB3 H 6.164 5.201 -6.729 1.00 . A A . 13 MET HB3 1 1 6 2312 1 1 13 MET HE1 H 7.162 8.322 -9.104 1.00 . A A . 13 MET HE1 1 1 6 2313 1 1 13 MET HE2 H 7.961 7.037 -8.198 1.00 . A A . 13 MET HE2 1 1 6 2314 1 1 13 MET HE3 H 6.566 7.866 -7.508 1.00 . A A . 13 MET HE3 1 1 6 2315 1 1 13 MET HG2 H 3.762 5.730 -8.349 1.00 . A A . 13 MET HG2 1 1 6 2316 1 1 13 MET HG3 H 4.446 7.112 -7.496 1.00 . A A . 13 MET HG3 1 1 6 2317 1 1 13 MET N N 3.126 3.777 -7.074 1.00 . A A . 13 MET N 1 1 6 2318 1 1 13 MET O O 6.038 3.147 -5.114 1.00 . A A . 13 MET O 1 1 6 2319 1 1 13 MET SD S 5.923 6.292 -9.174 1.00 . A A . 13 MET SD 1 1 6 2320 1 1 14 LYS C C 4.650 2.045 -2.874 1.00 . A A . 14 LYS C 1 1 6 2321 1 1 14 LYS CA C 4.281 1.220 -4.103 1.00 . A A . 14 LYS CA 1 1 6 2322 1 1 14 LYS CB C 5.363 0.169 -4.395 1.00 . A A . 14 LYS CB 1 1 6 2323 1 1 14 LYS CD C 7.807 -0.368 -4.166 1.00 . A A . 14 LYS CD 1 1 6 2324 1 1 14 LYS CE C 7.817 -0.774 -2.701 1.00 . A A . 14 LYS CE 1 1 6 2325 1 1 14 LYS CG C 6.781 0.720 -4.436 1.00 . A A . 14 LYS CG 1 1 6 2326 1 1 14 LYS H H 3.212 1.992 -5.756 1.00 . A A . 14 LYS H 1 1 6 2327 1 1 14 LYS HA H 3.352 0.708 -3.899 1.00 . A A . 14 LYS HA 1 1 6 2328 1 1 14 LYS HB2 H 5.321 -0.591 -3.630 1.00 . A A . 14 LYS HB2 1 1 6 2329 1 1 14 LYS HB3 H 5.151 -0.287 -5.351 1.00 . A A . 14 LYS HB3 1 1 6 2330 1 1 14 LYS HD2 H 7.568 -1.233 -4.766 1.00 . A A . 14 LYS HD2 1 1 6 2331 1 1 14 LYS HD3 H 8.787 -0.001 -4.435 1.00 . A A . 14 LYS HD3 1 1 6 2332 1 1 14 LYS HE2 H 7.752 0.117 -2.093 1.00 . A A . 14 LYS HE2 1 1 6 2333 1 1 14 LYS HE3 H 6.961 -1.403 -2.509 1.00 . A A . 14 LYS HE3 1 1 6 2334 1 1 14 LYS HG2 H 6.966 1.139 -5.413 1.00 . A A . 14 LYS HG2 1 1 6 2335 1 1 14 LYS HG3 H 6.882 1.491 -3.686 1.00 . A A . 14 LYS HG3 1 1 6 2336 1 1 14 LYS HZ1 H 9.870 -0.869 -2.326 1.00 . A A . 14 LYS HZ1 1 1 6 2337 1 1 14 LYS HZ2 H 9.237 -2.270 -3.031 1.00 . A A . 14 LYS HZ2 1 1 6 2338 1 1 14 LYS HZ3 H 8.953 -1.945 -1.396 1.00 . A A . 14 LYS HZ3 1 1 6 2339 1 1 14 LYS N N 4.058 2.074 -5.265 1.00 . A A . 14 LYS N 1 1 6 2340 1 1 14 LYS NZ N 9.056 -1.516 -2.338 1.00 . A A . 14 LYS NZ 1 1 6 2341 1 1 14 LYS O O 5.398 1.589 -2.009 1.00 . A A . 14 LYS O 1 1 6 2342 1 1 15 ASN C C 3.733 3.593 -0.408 1.00 . A A . 15 ASN C 1 1 6 2343 1 1 15 ASN CA C 4.373 4.142 -1.679 1.00 . A A . 15 ASN CA 1 1 6 2344 1 1 15 ASN CB C 3.837 5.542 -1.978 1.00 . A A . 15 ASN CB 1 1 6 2345 1 1 15 ASN CG C 2.433 5.520 -2.552 1.00 . A A . 15 ASN CG 1 1 6 2346 1 1 15 ASN H H 3.519 3.564 -3.517 1.00 . A A . 15 ASN H 1 1 6 2347 1 1 15 ASN HA H 5.442 4.196 -1.538 1.00 . A A . 15 ASN HA 1 1 6 2348 1 1 15 ASN HB2 H 3.820 6.111 -1.067 1.00 . A A . 15 ASN HB2 1 1 6 2349 1 1 15 ASN HB3 H 4.490 6.027 -2.689 1.00 . A A . 15 ASN HB3 1 1 6 2350 1 1 15 ASN HD21 H 3.003 6.690 -4.055 1.00 . A A . 15 ASN HD21 1 1 6 2351 1 1 15 ASN HD22 H 1.342 6.215 -4.063 1.00 . A A . 15 ASN HD22 1 1 6 2352 1 1 15 ASN N N 4.112 3.258 -2.801 1.00 . A A . 15 ASN N 1 1 6 2353 1 1 15 ASN ND2 N 2.240 6.211 -3.670 1.00 . A A . 15 ASN ND2 1 1 6 2354 1 1 15 ASN O O 2.699 4.085 0.043 1.00 . A A . 15 ASN O 1 1 6 2355 1 1 15 ASN OD1 O 1.533 4.889 -1.999 1.00 . A A . 15 ASN OD1 1 1 6 2356 1 1 16 VAL C C 3.437 2.959 2.421 1.00 . A A . 16 VAL C 1 1 6 2357 1 1 16 VAL CA C 3.849 1.928 1.375 1.00 . A A . 16 VAL CA 1 1 6 2358 1 1 16 VAL CB C 4.896 0.983 1.991 1.00 . A A . 16 VAL CB 1 1 6 2359 1 1 16 VAL CG1 C 4.291 0.186 3.136 1.00 . A A . 16 VAL CG1 1 1 6 2360 1 1 16 VAL CG2 C 5.469 0.055 0.930 1.00 . A A . 16 VAL CG2 1 1 6 2361 1 1 16 VAL H H 5.171 2.214 -0.255 1.00 . A A . 16 VAL H 1 1 6 2362 1 1 16 VAL HA H 2.985 1.341 1.107 1.00 . A A . 16 VAL HA 1 1 6 2363 1 1 16 VAL HB H 5.700 1.583 2.386 1.00 . A A . 16 VAL HB 1 1 6 2364 1 1 16 VAL HG11 H 3.238 0.033 2.951 1.00 . A A . 16 VAL HG11 1 1 6 2365 1 1 16 VAL HG12 H 4.418 0.730 4.060 1.00 . A A . 16 VAL HG12 1 1 6 2366 1 1 16 VAL HG13 H 4.787 -0.770 3.210 1.00 . A A . 16 VAL HG13 1 1 6 2367 1 1 16 VAL HG21 H 6.313 0.531 0.453 1.00 . A A . 16 VAL HG21 1 1 6 2368 1 1 16 VAL HG22 H 4.711 -0.159 0.191 1.00 . A A . 16 VAL HG22 1 1 6 2369 1 1 16 VAL HG23 H 5.791 -0.866 1.394 1.00 . A A . 16 VAL HG23 1 1 6 2370 1 1 16 VAL N N 4.354 2.562 0.159 1.00 . A A . 16 VAL N 1 1 6 2371 1 1 16 VAL O O 2.423 2.794 3.100 1.00 . A A . 16 VAL O 1 1 6 2372 1 1 17 LEU C C 2.573 5.701 3.231 1.00 . A A . 17 LEU C 1 1 6 2373 1 1 17 LEU CA C 3.929 5.071 3.518 1.00 . A A . 17 LEU CA 1 1 6 2374 1 1 17 LEU CB C 5.022 6.140 3.492 1.00 . A A . 17 LEU CB 1 1 6 2375 1 1 17 LEU CD1 C 7.420 6.476 2.845 1.00 . A A . 17 LEU CD1 1 1 6 2376 1 1 17 LEU CD2 C 6.853 5.549 5.097 1.00 . A A . 17 LEU CD2 1 1 6 2377 1 1 17 LEU CG C 6.450 5.609 3.632 1.00 . A A . 17 LEU CG 1 1 6 2378 1 1 17 LEU H H 5.019 4.104 1.984 1.00 . A A . 17 LEU H 1 1 6 2379 1 1 17 LEU HA H 3.899 4.620 4.492 1.00 . A A . 17 LEU HA 1 1 6 2380 1 1 17 LEU HB2 H 4.948 6.677 2.558 1.00 . A A . 17 LEU HB2 1 1 6 2381 1 1 17 LEU HB3 H 4.838 6.830 4.300 1.00 . A A . 17 LEU HB3 1 1 6 2382 1 1 17 LEU HD11 H 8.312 5.909 2.624 1.00 . A A . 17 LEU HD11 1 1 6 2383 1 1 17 LEU HD12 H 7.682 7.345 3.430 1.00 . A A . 17 LEU HD12 1 1 6 2384 1 1 17 LEU HD13 H 6.956 6.791 1.922 1.00 . A A . 17 LEU HD13 1 1 6 2385 1 1 17 LEU HD21 H 7.389 6.449 5.360 1.00 . A A . 17 LEU HD21 1 1 6 2386 1 1 17 LEU HD22 H 7.489 4.691 5.260 1.00 . A A . 17 LEU HD22 1 1 6 2387 1 1 17 LEU HD23 H 5.969 5.464 5.711 1.00 . A A . 17 LEU HD23 1 1 6 2388 1 1 17 LEU HG H 6.496 4.608 3.229 1.00 . A A . 17 LEU HG 1 1 6 2389 1 1 17 LEU N N 4.224 4.022 2.550 1.00 . A A . 17 LEU N 1 1 6 2390 1 1 17 LEU O O 1.837 6.068 4.146 1.00 . A A . 17 LEU O 1 1 6 2391 1 1 18 ASN C C -0.155 5.389 1.737 1.00 . A A . 18 ASN C 1 1 6 2392 1 1 18 ASN CA C 0.981 6.383 1.525 1.00 . A A . 18 ASN CA 1 1 6 2393 1 1 18 ASN CB C 1.050 6.797 0.053 1.00 . A A . 18 ASN CB 1 1 6 2394 1 1 18 ASN CG C 0.784 8.276 -0.145 1.00 . A A . 18 ASN CG 1 1 6 2395 1 1 18 ASN H H 2.883 5.488 1.278 1.00 . A A . 18 ASN H 1 1 6 2396 1 1 18 ASN HA H 0.794 7.256 2.128 1.00 . A A . 18 ASN HA 1 1 6 2397 1 1 18 ASN HB2 H 2.033 6.573 -0.331 1.00 . A A . 18 ASN HB2 1 1 6 2398 1 1 18 ASN HB3 H 0.314 6.239 -0.508 1.00 . A A . 18 ASN HB3 1 1 6 2399 1 1 18 ASN HD21 H -0.935 7.871 -1.059 1.00 . A A . 18 ASN HD21 1 1 6 2400 1 1 18 ASN HD22 H -0.542 9.546 -0.908 1.00 . A A . 18 ASN HD22 1 1 6 2401 1 1 18 ASN N N 2.252 5.810 1.952 1.00 . A A . 18 ASN N 1 1 6 2402 1 1 18 ASN ND2 N -0.345 8.597 -0.766 1.00 . A A . 18 ASN ND2 1 1 6 2403 1 1 18 ASN O O -1.281 5.772 2.056 1.00 . A A . 18 ASN O 1 1 6 2404 1 1 18 ASN OD1 O 1.584 9.122 0.257 1.00 . A A . 18 ASN OD1 1 1 6 2405 1 1 19 HIS C C -1.123 2.793 3.188 1.00 . A A . 19 HIS C 1 1 6 2406 1 1 19 HIS CA C -0.837 3.054 1.709 1.00 . A A . 19 HIS CA 1 1 6 2407 1 1 19 HIS CB C -0.357 1.771 1.011 1.00 . A A . 19 HIS CB 1 1 6 2408 1 1 19 HIS CD2 C -0.378 -0.384 2.431 1.00 . A A . 19 HIS CD2 1 1 6 2409 1 1 19 HIS CE1 C -2.402 -1.018 1.952 1.00 . A A . 19 HIS CE1 1 1 6 2410 1 1 19 HIS CG C -0.935 0.508 1.576 1.00 . A A . 19 HIS CG 1 1 6 2411 1 1 19 HIS H H 1.067 3.876 1.291 1.00 . A A . 19 HIS H 1 1 6 2412 1 1 19 HIS HA H -1.746 3.386 1.237 1.00 . A A . 19 HIS HA 1 1 6 2413 1 1 19 HIS HB2 H -0.626 1.818 -0.033 1.00 . A A . 19 HIS HB2 1 1 6 2414 1 1 19 HIS HB3 H 0.718 1.710 1.095 1.00 . A A . 19 HIS HB3 1 1 6 2415 1 1 19 HIS HD2 H 0.610 -0.338 2.857 1.00 . A A . 19 HIS HD2 1 1 6 2416 1 1 19 HIS HE1 H -3.331 -1.565 1.960 1.00 . A A . 19 HIS HE1 1 1 6 2417 1 1 19 HIS HE2 H -1.280 -2.030 3.372 1.00 . A A . 19 HIS HE2 1 1 6 2418 1 1 19 HIS N N 0.152 4.112 1.549 1.00 . A A . 19 HIS N 1 1 6 2419 1 1 19 HIS ND1 N -2.212 0.096 1.278 1.00 . A A . 19 HIS ND1 1 1 6 2420 1 1 19 HIS NE2 N -1.318 -1.353 2.665 1.00 . A A . 19 HIS NE2 1 1 6 2421 1 1 19 HIS O O -2.257 2.929 3.643 1.00 . A A . 19 HIS O 1 1 6 2422 1 1 20 MET C C -0.871 3.314 6.096 1.00 . A A . 20 MET C 1 1 6 2423 1 1 20 MET CA C -0.243 2.133 5.358 1.00 . A A . 20 MET CA 1 1 6 2424 1 1 20 MET CB C 1.113 1.792 5.978 1.00 . A A . 20 MET CB 1 1 6 2425 1 1 20 MET CE C 0.715 -2.188 6.852 1.00 . A A . 20 MET CE 1 1 6 2426 1 1 20 MET CG C 1.456 0.313 5.916 1.00 . A A . 20 MET CG 1 1 6 2427 1 1 20 MET H H 0.791 2.320 3.518 1.00 . A A . 20 MET H 1 1 6 2428 1 1 20 MET HA H -0.897 1.280 5.455 1.00 . A A . 20 MET HA 1 1 6 2429 1 1 20 MET HB2 H 1.883 2.341 5.456 1.00 . A A . 20 MET HB2 1 1 6 2430 1 1 20 MET HB3 H 1.108 2.095 7.015 1.00 . A A . 20 MET HB3 1 1 6 2431 1 1 20 MET HE1 H 0.070 -2.109 5.990 1.00 . A A . 20 MET HE1 1 1 6 2432 1 1 20 MET HE2 H 0.214 -2.750 7.626 1.00 . A A . 20 MET HE2 1 1 6 2433 1 1 20 MET HE3 H 1.628 -2.694 6.574 1.00 . A A . 20 MET HE3 1 1 6 2434 1 1 20 MET HG2 H 0.878 -0.144 5.126 1.00 . A A . 20 MET HG2 1 1 6 2435 1 1 20 MET HG3 H 2.508 0.210 5.695 1.00 . A A . 20 MET HG3 1 1 6 2436 1 1 20 MET N N -0.092 2.415 3.933 1.00 . A A . 20 MET N 1 1 6 2437 1 1 20 MET O O -1.452 3.147 7.169 1.00 . A A . 20 MET O 1 1 6 2438 1 1 20 MET SD S 1.102 -0.548 7.460 1.00 . A A . 20 MET SD 1 1 6 2439 1 1 21 THR C C -2.832 5.686 6.109 1.00 . A A . 21 THR C 1 1 6 2440 1 1 21 THR CA C -1.301 5.708 6.129 1.00 . A A . 21 THR CA 1 1 6 2441 1 1 21 THR CB C -0.761 6.955 5.410 1.00 . A A . 21 THR CB 1 1 6 2442 1 1 21 THR CG2 C -1.817 7.992 5.078 1.00 . A A . 21 THR CG2 1 1 6 2443 1 1 21 THR H H -0.272 4.579 4.669 1.00 . A A . 21 THR H 1 1 6 2444 1 1 21 THR HA H -0.973 5.730 7.156 1.00 . A A . 21 THR HA 1 1 6 2445 1 1 21 THR HB H -0.299 6.647 4.483 1.00 . A A . 21 THR HB 1 1 6 2446 1 1 21 THR HG1 H 0.857 8.036 5.630 1.00 . A A . 21 THR HG1 1 1 6 2447 1 1 21 THR HG21 H -1.352 8.838 4.594 1.00 . A A . 21 THR HG21 1 1 6 2448 1 1 21 THR HG22 H -2.300 8.318 5.988 1.00 . A A . 21 THR HG22 1 1 6 2449 1 1 21 THR HG23 H -2.552 7.558 4.416 1.00 . A A . 21 THR HG23 1 1 6 2450 1 1 21 THR N N -0.749 4.505 5.520 1.00 . A A . 21 THR N 1 1 6 2451 1 1 21 THR O O -3.478 6.406 6.871 1.00 . A A . 21 THR O 1 1 6 2452 1 1 21 THR OG1 O 0.223 7.596 6.201 1.00 . A A . 21 THR OG1 1 1 6 2453 1 1 22 HIS C C -5.354 3.335 5.098 1.00 . A A . 22 HIS C 1 1 6 2454 1 1 22 HIS CA C -4.865 4.779 5.123 1.00 . A A . 22 HIS CA 1 1 6 2455 1 1 22 HIS CB C -5.349 5.493 3.860 1.00 . A A . 22 HIS CB 1 1 6 2456 1 1 22 HIS CD2 C -4.412 3.667 2.238 1.00 . A A . 22 HIS CD2 1 1 6 2457 1 1 22 HIS CE1 C -4.098 4.949 0.491 1.00 . A A . 22 HIS CE1 1 1 6 2458 1 1 22 HIS CG C -4.798 4.928 2.580 1.00 . A A . 22 HIS CG 1 1 6 2459 1 1 22 HIS H H -2.847 4.323 4.643 1.00 . A A . 22 HIS H 1 1 6 2460 1 1 22 HIS HA H -5.289 5.272 5.983 1.00 . A A . 22 HIS HA 1 1 6 2461 1 1 22 HIS HB2 H -6.425 5.428 3.811 1.00 . A A . 22 HIS HB2 1 1 6 2462 1 1 22 HIS HB3 H -5.060 6.533 3.914 1.00 . A A . 22 HIS HB3 1 1 6 2463 1 1 22 HIS HD1 H -4.767 6.662 1.384 1.00 . A A . 22 HIS HD1 1 1 6 2464 1 1 22 HIS HD2 H -4.442 2.783 2.865 1.00 . A A . 22 HIS HD2 1 1 6 2465 1 1 22 HIS HE1 H -3.843 5.285 -0.504 1.00 . A A . 22 HIS HE1 1 1 6 2466 1 1 22 HIS HE2 H -3.424 3.029 0.518 1.00 . A A . 22 HIS HE2 1 1 6 2467 1 1 22 HIS N N -3.409 4.869 5.232 1.00 . A A . 22 HIS N 1 1 6 2468 1 1 22 HIS ND1 N -4.585 5.701 1.459 1.00 . A A . 22 HIS ND1 1 1 6 2469 1 1 22 HIS NE2 N -3.980 3.713 0.938 1.00 . A A . 22 HIS NE2 1 1 6 2470 1 1 22 HIS O O -6.558 3.083 5.142 1.00 . A A . 22 HIS O 1 1 6 2471 1 1 23 CYS C C -4.256 0.230 6.140 1.00 . A A . 23 CYS C 1 1 6 2472 1 1 23 CYS CA C -4.784 0.993 4.929 1.00 . A A . 23 CYS CA 1 1 6 2473 1 1 23 CYS CB C -4.207 0.422 3.645 1.00 . A A . 23 CYS CB 1 1 6 2474 1 1 23 CYS H H -3.488 2.633 4.936 1.00 . A A . 23 CYS H 1 1 6 2475 1 1 23 CYS HA H -5.860 0.915 4.899 1.00 . A A . 23 CYS HA 1 1 6 2476 1 1 23 CYS HB2 H -3.366 1.030 3.344 1.00 . A A . 23 CYS HB2 1 1 6 2477 1 1 23 CYS HB3 H -3.864 -0.575 3.831 1.00 . A A . 23 CYS HB3 1 1 6 2478 1 1 23 CYS N N -4.430 2.390 4.996 1.00 . A A . 23 CYS N 1 1 6 2479 1 1 23 CYS O O -3.566 0.793 6.989 1.00 . A A . 23 CYS O 1 1 6 2480 1 1 23 CYS SG S -5.376 0.380 2.243 1.00 . A A . 23 CYS SG 1 1 6 2481 1 1 24 GLN C C -3.605 -3.229 6.808 1.00 . A A . 24 GLN C 1 1 6 2482 1 1 24 GLN CA C -4.145 -1.897 7.319 1.00 . A A . 24 GLN CA 1 1 6 2483 1 1 24 GLN CB C -5.299 -2.141 8.293 1.00 . A A . 24 GLN CB 1 1 6 2484 1 1 24 GLN CD C -7.716 -2.837 8.529 1.00 . A A . 24 GLN CD 1 1 6 2485 1 1 24 GLN CG C -6.461 -2.905 7.680 1.00 . A A . 24 GLN CG 1 1 6 2486 1 1 24 GLN H H -5.139 -1.448 5.505 1.00 . A A . 24 GLN H 1 1 6 2487 1 1 24 GLN HA H -3.353 -1.376 7.836 1.00 . A A . 24 GLN HA 1 1 6 2488 1 1 24 GLN HB2 H -4.930 -2.705 9.137 1.00 . A A . 24 GLN HB2 1 1 6 2489 1 1 24 GLN HB3 H -5.667 -1.188 8.642 1.00 . A A . 24 GLN HB3 1 1 6 2490 1 1 24 GLN HE21 H -8.224 -4.676 7.969 1.00 . A A . 24 GLN HE21 1 1 6 2491 1 1 24 GLN HE22 H -9.315 -3.894 9.057 1.00 . A A . 24 GLN HE22 1 1 6 2492 1 1 24 GLN HG2 H -6.679 -2.486 6.709 1.00 . A A . 24 GLN HG2 1 1 6 2493 1 1 24 GLN HG3 H -6.175 -3.941 7.569 1.00 . A A . 24 GLN HG3 1 1 6 2494 1 1 24 GLN N N -4.586 -1.056 6.212 1.00 . A A . 24 GLN N 1 1 6 2495 1 1 24 GLN NE2 N -8.497 -3.911 8.517 1.00 . A A . 24 GLN NE2 1 1 6 2496 1 1 24 GLN O O -3.639 -3.502 5.608 1.00 . A A . 24 GLN O 1 1 6 2497 1 1 24 GLN OE1 O -7.979 -1.831 9.187 1.00 . A A . 24 GLN OE1 1 1 6 2498 1 1 25 ALA C C -1.096 -5.249 6.959 1.00 . A A . 25 ALA C 1 1 6 2499 1 1 25 ALA CA C -2.552 -5.364 7.393 1.00 . A A . 25 ALA CA 1 1 6 2500 1 1 25 ALA CB C -3.379 -6.047 6.309 1.00 . A A . 25 ALA CB 1 1 6 2501 1 1 25 ALA H H -3.110 -3.768 8.669 1.00 . A A . 25 ALA H 1 1 6 2502 1 1 25 ALA HA H -2.599 -5.977 8.282 1.00 . A A . 25 ALA HA 1 1 6 2503 1 1 25 ALA HB1 H -3.399 -7.112 6.489 1.00 . A A . 25 ALA HB1 1 1 6 2504 1 1 25 ALA HB2 H -2.937 -5.853 5.343 1.00 . A A . 25 ALA HB2 1 1 6 2505 1 1 25 ALA HB3 H -4.387 -5.660 6.328 1.00 . A A . 25 ALA HB3 1 1 6 2506 1 1 25 ALA N N -3.106 -4.052 7.731 1.00 . A A . 25 ALA N 1 1 6 2507 1 1 25 ALA O O -0.804 -4.925 5.808 1.00 . A A . 25 ALA O 1 1 6 2508 1 1 26 GLY C C 2.074 -5.130 8.805 1.00 . A A . 26 GLY C 1 1 6 2509 1 1 26 GLY CA C 1.232 -5.437 7.582 1.00 . A A . 26 GLY CA 1 1 6 2510 1 1 26 GLY H H -0.475 -5.770 8.789 1.00 . A A . 26 GLY H 1 1 6 2511 1 1 26 GLY HA2 H 1.553 -6.381 7.166 1.00 . A A . 26 GLY HA2 1 1 6 2512 1 1 26 GLY HA3 H 1.388 -4.661 6.847 1.00 . A A . 26 GLY HA3 1 1 6 2513 1 1 26 GLY N N -0.184 -5.517 7.888 1.00 . A A . 26 GLY N 1 1 6 2514 1 1 26 GLY O O 2.946 -4.262 8.764 1.00 . A A . 26 GLY O 1 1 6 2515 1 1 27 LYS C C 2.386 -4.211 11.643 1.00 . A A . 27 LYS C 1 1 6 2516 1 1 27 LYS CA C 2.552 -5.640 11.136 1.00 . A A . 27 LYS CA 1 1 6 2517 1 1 27 LYS CB C 4.035 -5.951 10.926 1.00 . A A . 27 LYS CB 1 1 6 2518 1 1 27 LYS CD C 5.824 -7.487 11.794 1.00 . A A . 27 LYS CD 1 1 6 2519 1 1 27 LYS CE C 5.255 -8.790 11.256 1.00 . A A . 27 LYS CE 1 1 6 2520 1 1 27 LYS CG C 4.721 -6.508 12.162 1.00 . A A . 27 LYS CG 1 1 6 2521 1 1 27 LYS H H 1.104 -6.519 9.866 1.00 . A A . 27 LYS H 1 1 6 2522 1 1 27 LYS HA H 2.152 -6.320 11.874 1.00 . A A . 27 LYS HA 1 1 6 2523 1 1 27 LYS HB2 H 4.130 -6.675 10.130 1.00 . A A . 27 LYS HB2 1 1 6 2524 1 1 27 LYS HB3 H 4.543 -5.043 10.637 1.00 . A A . 27 LYS HB3 1 1 6 2525 1 1 27 LYS HD2 H 6.450 -7.040 11.037 1.00 . A A . 27 LYS HD2 1 1 6 2526 1 1 27 LYS HD3 H 6.414 -7.697 12.674 1.00 . A A . 27 LYS HD3 1 1 6 2527 1 1 27 LYS HE2 H 4.308 -8.585 10.779 1.00 . A A . 27 LYS HE2 1 1 6 2528 1 1 27 LYS HE3 H 5.944 -9.195 10.528 1.00 . A A . 27 LYS HE3 1 1 6 2529 1 1 27 LYS HG2 H 5.151 -5.692 12.723 1.00 . A A . 27 LYS HG2 1 1 6 2530 1 1 27 LYS HG3 H 3.987 -7.018 12.770 1.00 . A A . 27 LYS HG3 1 1 6 2531 1 1 27 LYS HZ1 H 4.068 -9.740 12.688 1.00 . A A . 27 LYS HZ1 1 1 6 2532 1 1 27 LYS HZ2 H 5.697 -9.609 13.126 1.00 . A A . 27 LYS HZ2 1 1 6 2533 1 1 27 LYS HZ3 H 5.221 -10.751 11.973 1.00 . A A . 27 LYS HZ3 1 1 6 2534 1 1 27 LYS N N 1.812 -5.842 9.896 1.00 . A A . 27 LYS N 1 1 6 2535 1 1 27 LYS NZ N 5.046 -9.793 12.336 1.00 . A A . 27 LYS NZ 1 1 6 2536 1 1 27 LYS O O 1.581 -4.004 12.575 1.00 . A A . 27 LYS O 1 1 6 2537 1 1 27 LYS OXT O 3.063 -3.311 11.103 1.00 . A A . 27 LYS OXT 1 1 6 2538 2 2 1 ZN ZN ZN -4.003 0.201 0.401 1.00 . B A . 28 ZN ZN 1 1 7 2539 1 1 1 GLU C C 1.129 -2.975 1.171 1.00 . A A . 1 GLU C 1 1 7 2540 1 1 1 GLU CA C 1.964 -3.116 2.437 1.00 . A A . 1 GLU CA 1 1 7 2541 1 1 1 GLU CB C 2.963 -4.265 2.287 1.00 . A A . 1 GLU CB 1 1 7 2542 1 1 1 GLU CD C 5.021 -5.417 3.190 1.00 . A A . 1 GLU CD 1 1 7 2543 1 1 1 GLU CG C 4.100 -4.218 3.295 1.00 . A A . 1 GLU CG 1 1 7 2544 1 1 1 GLU H1 H 0.476 -4.175 3.383 1.00 . A A . 1 GLU H1 1 1 7 2545 1 1 1 GLU H2 H 0.564 -2.517 3.821 1.00 . A A . 1 GLU H2 1 1 7 2546 1 1 1 GLU H3 H 1.730 -3.628 4.416 1.00 . A A . 1 GLU H3 1 1 7 2547 1 1 1 GLU HA H 2.503 -2.194 2.602 1.00 . A A . 1 GLU HA 1 1 7 2548 1 1 1 GLU HB2 H 2.439 -5.201 2.412 1.00 . A A . 1 GLU HB2 1 1 7 2549 1 1 1 GLU HB3 H 3.388 -4.230 1.295 1.00 . A A . 1 GLU HB3 1 1 7 2550 1 1 1 GLU HG2 H 4.679 -3.323 3.124 1.00 . A A . 1 GLU HG2 1 1 7 2551 1 1 1 GLU HG3 H 3.681 -4.190 4.290 1.00 . A A . 1 GLU HG3 1 1 7 2552 1 1 1 GLU N N 1.106 -3.383 3.621 1.00 . A A . 1 GLU N 1 1 7 2553 1 1 1 GLU O O 0.229 -3.773 0.913 1.00 . A A . 1 GLU O 1 1 7 2554 1 1 1 GLU OE1 O 4.750 -6.435 3.862 1.00 . A A . 1 GLU OE1 1 1 7 2555 1 1 1 GLU OE2 O 6.014 -5.339 2.436 1.00 . A A . 1 GLU OE2 1 1 7 2556 1 1 2 VAL C C 0.779 -2.891 -1.789 1.00 . A A . 2 VAL C 1 1 7 2557 1 1 2 VAL CA C 0.723 -1.687 -0.852 1.00 . A A . 2 VAL CA 1 1 7 2558 1 1 2 VAL CB C 1.300 -0.450 -1.569 1.00 . A A . 2 VAL CB 1 1 7 2559 1 1 2 VAL CG1 C 2.683 -0.744 -2.135 1.00 . A A . 2 VAL CG1 1 1 7 2560 1 1 2 VAL CG2 C 0.355 0.026 -2.662 1.00 . A A . 2 VAL CG2 1 1 7 2561 1 1 2 VAL H H 2.166 -1.349 0.654 1.00 . A A . 2 VAL H 1 1 7 2562 1 1 2 VAL HA H -0.309 -1.483 -0.605 1.00 . A A . 2 VAL HA 1 1 7 2563 1 1 2 VAL HB H 1.400 0.341 -0.839 1.00 . A A . 2 VAL HB 1 1 7 2564 1 1 2 VAL HG11 H 2.593 -1.036 -3.170 1.00 . A A . 2 VAL HG11 1 1 7 2565 1 1 2 VAL HG12 H 3.139 -1.545 -1.573 1.00 . A A . 2 VAL HG12 1 1 7 2566 1 1 2 VAL HG13 H 3.297 0.142 -2.062 1.00 . A A . 2 VAL HG13 1 1 7 2567 1 1 2 VAL HG21 H 0.920 0.250 -3.555 1.00 . A A . 2 VAL HG21 1 1 7 2568 1 1 2 VAL HG22 H -0.160 0.916 -2.330 1.00 . A A . 2 VAL HG22 1 1 7 2569 1 1 2 VAL HG23 H -0.367 -0.748 -2.877 1.00 . A A . 2 VAL HG23 1 1 7 2570 1 1 2 VAL N N 1.438 -1.949 0.388 1.00 . A A . 2 VAL N 1 1 7 2571 1 1 2 VAL O O -0.151 -3.136 -2.557 1.00 . A A . 2 VAL O 1 1 7 2572 1 1 3 ARG C C 1.055 -5.908 -2.179 1.00 . A A . 3 ARG C 1 1 7 2573 1 1 3 ARG CA C 2.053 -4.816 -2.555 1.00 . A A . 3 ARG CA 1 1 7 2574 1 1 3 ARG CB C 3.481 -5.349 -2.426 1.00 . A A . 3 ARG CB 1 1 7 2575 1 1 3 ARG CD C 4.765 -5.227 -4.582 1.00 . A A . 3 ARG CD 1 1 7 2576 1 1 3 ARG CG C 3.958 -6.115 -3.649 1.00 . A A . 3 ARG CG 1 1 7 2577 1 1 3 ARG CZ C 6.900 -3.997 -4.531 1.00 . A A . 3 ARG CZ 1 1 7 2578 1 1 3 ARG H H 2.581 -3.391 -1.083 1.00 . A A . 3 ARG H 1 1 7 2579 1 1 3 ARG HA H 1.879 -4.523 -3.579 1.00 . A A . 3 ARG HA 1 1 7 2580 1 1 3 ARG HB2 H 4.150 -4.516 -2.266 1.00 . A A . 3 ARG HB2 1 1 7 2581 1 1 3 ARG HB3 H 3.531 -6.009 -1.573 1.00 . A A . 3 ARG HB3 1 1 7 2582 1 1 3 ARG HD2 H 4.864 -5.725 -5.536 1.00 . A A . 3 ARG HD2 1 1 7 2583 1 1 3 ARG HD3 H 4.237 -4.294 -4.717 1.00 . A A . 3 ARG HD3 1 1 7 2584 1 1 3 ARG HE H 6.412 -5.494 -3.305 1.00 . A A . 3 ARG HE 1 1 7 2585 1 1 3 ARG HG2 H 4.577 -6.939 -3.328 1.00 . A A . 3 ARG HG2 1 1 7 2586 1 1 3 ARG HG3 H 3.098 -6.494 -4.182 1.00 . A A . 3 ARG HG3 1 1 7 2587 1 1 3 ARG HH11 H 5.607 -3.373 -5.956 1.00 . A A . 3 ARG HH11 1 1 7 2588 1 1 3 ARG HH12 H 7.115 -2.524 -5.899 1.00 . A A . 3 ARG HH12 1 1 7 2589 1 1 3 ARG HH21 H 8.396 -4.379 -3.228 1.00 . A A . 3 ARG HH21 1 1 7 2590 1 1 3 ARG HH22 H 8.699 -3.095 -4.351 1.00 . A A . 3 ARG HH22 1 1 7 2591 1 1 3 ARG N N 1.875 -3.638 -1.716 1.00 . A A . 3 ARG N 1 1 7 2592 1 1 3 ARG NE N 6.098 -4.947 -4.054 1.00 . A A . 3 ARG NE 1 1 7 2593 1 1 3 ARG NH1 N 6.508 -3.236 -5.545 1.00 . A A . 3 ARG NH1 1 1 7 2594 1 1 3 ARG NH2 N 8.096 -3.808 -3.992 1.00 . A A . 3 ARG NH2 1 1 7 2595 1 1 3 ARG O O 0.677 -6.729 -3.014 1.00 . A A . 3 ARG O 1 1 7 2596 1 1 4 ALA C C -1.749 -6.368 -0.450 1.00 . A A . 4 ALA C 1 1 7 2597 1 1 4 ALA CA C -0.320 -6.904 -0.437 1.00 . A A . 4 ALA CA 1 1 7 2598 1 1 4 ALA CB C 0.061 -7.364 0.963 1.00 . A A . 4 ALA CB 1 1 7 2599 1 1 4 ALA H H 0.970 -5.232 -0.298 1.00 . A A . 4 ALA H 1 1 7 2600 1 1 4 ALA HA H -0.266 -7.756 -1.095 1.00 . A A . 4 ALA HA 1 1 7 2601 1 1 4 ALA HB1 H 0.808 -8.141 0.896 1.00 . A A . 4 ALA HB1 1 1 7 2602 1 1 4 ALA HB2 H -0.814 -7.749 1.465 1.00 . A A . 4 ALA HB2 1 1 7 2603 1 1 4 ALA HB3 H 0.458 -6.529 1.520 1.00 . A A . 4 ALA HB3 1 1 7 2604 1 1 4 ALA N N 0.633 -5.911 -0.918 1.00 . A A . 4 ALA N 1 1 7 2605 1 1 4 ALA O O -2.690 -7.082 -0.102 1.00 . A A . 4 ALA O 1 1 7 2606 1 1 5 CYS C C -4.018 -5.013 -2.112 1.00 . A A . 5 CYS C 1 1 7 2607 1 1 5 CYS CA C -3.229 -4.496 -0.915 1.00 . A A . 5 CYS CA 1 1 7 2608 1 1 5 CYS CB C -3.113 -2.977 -1.009 1.00 . A A . 5 CYS CB 1 1 7 2609 1 1 5 CYS H H -1.128 -4.594 -1.125 1.00 . A A . 5 CYS H 1 1 7 2610 1 1 5 CYS HA H -3.755 -4.749 -0.007 1.00 . A A . 5 CYS HA 1 1 7 2611 1 1 5 CYS HB2 H -2.366 -2.634 -0.315 1.00 . A A . 5 CYS HB2 1 1 7 2612 1 1 5 CYS HB3 H -2.820 -2.705 -2.012 1.00 . A A . 5 CYS HB3 1 1 7 2613 1 1 5 CYS N N -1.910 -5.113 -0.856 1.00 . A A . 5 CYS N 1 1 7 2614 1 1 5 CYS O O -3.446 -5.544 -3.063 1.00 . A A . 5 CYS O 1 1 7 2615 1 1 5 CYS SG S -4.664 -2.105 -0.628 1.00 . A A . 5 CYS SG 1 1 7 2616 1 1 6 SER C C -6.962 -4.084 -3.738 1.00 . A A . 6 SER C 1 1 7 2617 1 1 6 SER CA C -6.201 -5.271 -3.151 1.00 . A A . 6 SER CA 1 1 7 2618 1 1 6 SER CB C -7.187 -6.331 -2.655 1.00 . A A . 6 SER CB 1 1 7 2619 1 1 6 SER H H -5.730 -4.400 -1.284 1.00 . A A . 6 SER H 1 1 7 2620 1 1 6 SER HA H -5.579 -5.702 -3.922 1.00 . A A . 6 SER HA 1 1 7 2621 1 1 6 SER HB2 H -8.019 -6.394 -3.341 1.00 . A A . 6 SER HB2 1 1 7 2622 1 1 6 SER HB3 H -6.688 -7.288 -2.605 1.00 . A A . 6 SER HB3 1 1 7 2623 1 1 6 SER HG H -8.631 -5.872 -1.413 1.00 . A A . 6 SER HG 1 1 7 2624 1 1 6 SER N N -5.333 -4.839 -2.064 1.00 . A A . 6 SER N 1 1 7 2625 1 1 6 SER O O -7.991 -4.258 -4.392 1.00 . A A . 6 SER O 1 1 7 2626 1 1 6 SER OG O -7.681 -6.005 -1.368 1.00 . A A . 6 SER OG 1 1 7 2627 1 1 7 LEU C C -6.321 -1.080 -5.184 1.00 . A A . 7 LEU C 1 1 7 2628 1 1 7 LEU CA C -7.095 -1.664 -4.000 1.00 . A A . 7 LEU CA 1 1 7 2629 1 1 7 LEU CB C -7.202 -0.620 -2.888 1.00 . A A . 7 LEU CB 1 1 7 2630 1 1 7 LEU CD1 C -7.424 -0.547 -0.386 1.00 . A A . 7 LEU CD1 1 1 7 2631 1 1 7 LEU CD2 C -9.471 -0.514 -1.828 1.00 . A A . 7 LEU CD2 1 1 7 2632 1 1 7 LEU CG C -8.050 -1.039 -1.684 1.00 . A A . 7 LEU CG 1 1 7 2633 1 1 7 LEU H H -5.631 -2.795 -2.966 1.00 . A A . 7 LEU H 1 1 7 2634 1 1 7 LEU HA H -8.088 -1.930 -4.325 1.00 . A A . 7 LEU HA 1 1 7 2635 1 1 7 LEU HB2 H -6.205 -0.392 -2.540 1.00 . A A . 7 LEU HB2 1 1 7 2636 1 1 7 LEU HB3 H -7.632 0.277 -3.307 1.00 . A A . 7 LEU HB3 1 1 7 2637 1 1 7 LEU HD11 H -8.107 0.127 0.111 1.00 . A A . 7 LEU HD11 1 1 7 2638 1 1 7 LEU HD12 H -6.502 -0.028 -0.603 1.00 . A A . 7 LEU HD12 1 1 7 2639 1 1 7 LEU HD13 H -7.219 -1.390 0.257 1.00 . A A . 7 LEU HD13 1 1 7 2640 1 1 7 LEU HD21 H -10.094 -0.946 -1.059 1.00 . A A . 7 LEU HD21 1 1 7 2641 1 1 7 LEU HD22 H -9.859 -0.785 -2.799 1.00 . A A . 7 LEU HD22 1 1 7 2642 1 1 7 LEU HD23 H -9.469 0.561 -1.728 1.00 . A A . 7 LEU HD23 1 1 7 2643 1 1 7 LEU HG H -8.095 -2.118 -1.643 1.00 . A A . 7 LEU HG 1 1 7 2644 1 1 7 LEU N N -6.454 -2.875 -3.496 1.00 . A A . 7 LEU N 1 1 7 2645 1 1 7 LEU O O -5.119 -0.834 -5.084 1.00 . A A . 7 LEU O 1 1 7 2646 1 1 8 PRO C C -5.794 1.122 -7.269 1.00 . A A . 8 PRO C 1 1 7 2647 1 1 8 PRO CA C -6.360 -0.275 -7.518 1.00 . A A . 8 PRO CA 1 1 7 2648 1 1 8 PRO CB C -7.494 -0.211 -8.550 1.00 . A A . 8 PRO CB 1 1 7 2649 1 1 8 PRO CD C -8.434 -1.096 -6.540 1.00 . A A . 8 PRO CD 1 1 7 2650 1 1 8 PRO CG C -8.545 -1.134 -8.036 1.00 . A A . 8 PRO CG 1 1 7 2651 1 1 8 PRO HA H -5.573 -0.919 -7.885 1.00 . A A . 8 PRO HA 1 1 7 2652 1 1 8 PRO HB2 H -7.861 0.803 -8.620 1.00 . A A . 8 PRO HB2 1 1 7 2653 1 1 8 PRO HB3 H -7.126 -0.532 -9.512 1.00 . A A . 8 PRO HB3 1 1 7 2654 1 1 8 PRO HD2 H -9.035 -0.295 -6.136 1.00 . A A . 8 PRO HD2 1 1 7 2655 1 1 8 PRO HD3 H -8.726 -2.044 -6.116 1.00 . A A . 8 PRO HD3 1 1 7 2656 1 1 8 PRO HG2 H -9.521 -0.790 -8.349 1.00 . A A . 8 PRO HG2 1 1 7 2657 1 1 8 PRO HG3 H -8.365 -2.135 -8.400 1.00 . A A . 8 PRO HG3 1 1 7 2658 1 1 8 PRO N N -7.000 -0.841 -6.323 1.00 . A A . 8 PRO N 1 1 7 2659 1 1 8 PRO O O -4.978 1.618 -8.045 1.00 . A A . 8 PRO O 1 1 7 2660 1 1 9 HIS C C -4.342 3.039 -5.306 1.00 . A A . 9 HIS C 1 1 7 2661 1 1 9 HIS CA C -5.768 3.089 -5.830 1.00 . A A . 9 HIS CA 1 1 7 2662 1 1 9 HIS CB C -6.677 3.707 -4.767 1.00 . A A . 9 HIS CB 1 1 7 2663 1 1 9 HIS CD2 C -5.465 5.873 -4.020 1.00 . A A . 9 HIS CD2 1 1 7 2664 1 1 9 HIS CE1 C -6.931 7.331 -4.749 1.00 . A A . 9 HIS CE1 1 1 7 2665 1 1 9 HIS CG C -6.476 5.180 -4.596 1.00 . A A . 9 HIS CG 1 1 7 2666 1 1 9 HIS H H -6.878 1.305 -5.599 1.00 . A A . 9 HIS H 1 1 7 2667 1 1 9 HIS HA H -5.796 3.699 -6.720 1.00 . A A . 9 HIS HA 1 1 7 2668 1 1 9 HIS HB2 H -7.708 3.540 -5.039 1.00 . A A . 9 HIS HB2 1 1 7 2669 1 1 9 HIS HB3 H -6.478 3.234 -3.814 1.00 . A A . 9 HIS HB3 1 1 7 2670 1 1 9 HIS HD1 H -8.222 5.934 -5.505 1.00 . A A . 9 HIS HD1 1 1 7 2671 1 1 9 HIS HD2 H -4.581 5.452 -3.561 1.00 . A A . 9 HIS HD2 1 1 7 2672 1 1 9 HIS HE1 H -7.429 8.262 -4.977 1.00 . A A . 9 HIS HE1 1 1 7 2673 1 1 9 HIS HE2 H -5.183 7.949 -3.879 1.00 . A A . 9 HIS HE2 1 1 7 2674 1 1 9 HIS N N -6.232 1.751 -6.181 1.00 . A A . 9 HIS N 1 1 7 2675 1 1 9 HIS ND1 N -7.379 6.123 -5.042 1.00 . A A . 9 HIS ND1 1 1 7 2676 1 1 9 HIS NE2 N -5.773 7.207 -4.129 1.00 . A A . 9 HIS NE2 1 1 7 2677 1 1 9 HIS O O -3.448 3.706 -5.827 1.00 . A A . 9 HIS O 1 1 7 2678 1 1 10 CYS C C -1.826 1.545 -4.668 1.00 . A A . 10 CYS C 1 1 7 2679 1 1 10 CYS CA C -2.832 2.086 -3.657 1.00 . A A . 10 CYS CA 1 1 7 2680 1 1 10 CYS CB C -2.916 1.152 -2.449 1.00 . A A . 10 CYS CB 1 1 7 2681 1 1 10 CYS H H -4.901 1.736 -3.906 1.00 . A A . 10 CYS H 1 1 7 2682 1 1 10 CYS HA H -2.504 3.060 -3.327 1.00 . A A . 10 CYS HA 1 1 7 2683 1 1 10 CYS HB2 H -2.937 0.131 -2.796 1.00 . A A . 10 CYS HB2 1 1 7 2684 1 1 10 CYS HB3 H -2.043 1.298 -1.829 1.00 . A A . 10 CYS HB3 1 1 7 2685 1 1 10 CYS N N -4.143 2.239 -4.269 1.00 . A A . 10 CYS N 1 1 7 2686 1 1 10 CYS O O -0.622 1.767 -4.539 1.00 . A A . 10 CYS O 1 1 7 2687 1 1 10 CYS SG S -4.388 1.409 -1.404 1.00 . A A . 10 CYS SG 1 1 7 2688 1 1 11 ARG C C -1.006 1.361 -7.677 1.00 . A A . 11 ARG C 1 1 7 2689 1 1 11 ARG CA C -1.469 0.275 -6.712 1.00 . A A . 11 ARG CA 1 1 7 2690 1 1 11 ARG CB C -2.209 -0.825 -7.475 1.00 . A A . 11 ARG CB 1 1 7 2691 1 1 11 ARG CD C -1.757 -3.105 -8.429 1.00 . A A . 11 ARG CD 1 1 7 2692 1 1 11 ARG CG C -1.306 -1.655 -8.373 1.00 . A A . 11 ARG CG 1 1 7 2693 1 1 11 ARG CZ C -0.949 -5.212 -9.419 1.00 . A A . 11 ARG CZ 1 1 7 2694 1 1 11 ARG H H -3.299 0.699 -5.731 1.00 . A A . 11 ARG H 1 1 7 2695 1 1 11 ARG HA H -0.604 -0.153 -6.227 1.00 . A A . 11 ARG HA 1 1 7 2696 1 1 11 ARG HB2 H -2.680 -1.487 -6.764 1.00 . A A . 11 ARG HB2 1 1 7 2697 1 1 11 ARG HB3 H -2.971 -0.370 -8.090 1.00 . A A . 11 ARG HB3 1 1 7 2698 1 1 11 ARG HD2 H -1.634 -3.545 -7.450 1.00 . A A . 11 ARG HD2 1 1 7 2699 1 1 11 ARG HD3 H -2.800 -3.134 -8.707 1.00 . A A . 11 ARG HD3 1 1 7 2700 1 1 11 ARG HE H -0.468 -3.386 -10.065 1.00 . A A . 11 ARG HE 1 1 7 2701 1 1 11 ARG HG2 H -1.329 -1.243 -9.371 1.00 . A A . 11 ARG HG2 1 1 7 2702 1 1 11 ARG HG3 H -0.297 -1.615 -7.988 1.00 . A A . 11 ARG HG3 1 1 7 2703 1 1 11 ARG HH11 H -2.187 -5.450 -7.838 1.00 . A A . 11 ARG HH11 1 1 7 2704 1 1 11 ARG HH12 H -1.605 -6.916 -8.552 1.00 . A A . 11 ARG HH12 1 1 7 2705 1 1 11 ARG HH21 H 0.298 -5.313 -11.007 1.00 . A A . 11 ARG HH21 1 1 7 2706 1 1 11 ARG HH22 H -0.194 -6.839 -10.351 1.00 . A A . 11 ARG HH22 1 1 7 2707 1 1 11 ARG N N -2.328 0.840 -5.678 1.00 . A A . 11 ARG N 1 1 7 2708 1 1 11 ARG NE N -0.986 -3.882 -9.397 1.00 . A A . 11 ARG NE 1 1 7 2709 1 1 11 ARG NH1 N -1.637 -5.917 -8.530 1.00 . A A . 11 ARG NH1 1 1 7 2710 1 1 11 ARG NH2 N -0.222 -5.839 -10.334 1.00 . A A . 11 ARG NH2 1 1 7 2711 1 1 11 ARG O O -1.613 1.571 -8.727 1.00 . A A . 11 ARG O 1 1 7 2712 1 1 12 THR C C 2.096 2.895 -8.422 1.00 . A A . 12 THR C 1 1 7 2713 1 1 12 THR CA C 0.612 3.120 -8.141 1.00 . A A . 12 THR CA 1 1 7 2714 1 1 12 THR CB C 0.403 4.472 -7.456 1.00 . A A . 12 THR CB 1 1 7 2715 1 1 12 THR CG2 C 0.973 5.637 -8.237 1.00 . A A . 12 THR CG2 1 1 7 2716 1 1 12 THR H H 0.506 1.838 -6.460 1.00 . A A . 12 THR H 1 1 7 2717 1 1 12 THR HA H 0.076 3.116 -9.078 1.00 . A A . 12 THR HA 1 1 7 2718 1 1 12 THR HB H 0.889 4.451 -6.490 1.00 . A A . 12 THR HB 1 1 7 2719 1 1 12 THR HG1 H -1.457 4.541 -8.065 1.00 . A A . 12 THR HG1 1 1 7 2720 1 1 12 THR HG21 H 1.355 5.284 -9.183 1.00 . A A . 12 THR HG21 1 1 7 2721 1 1 12 THR HG22 H 1.773 6.092 -7.672 1.00 . A A . 12 THR HG22 1 1 7 2722 1 1 12 THR HG23 H 0.196 6.367 -8.412 1.00 . A A . 12 THR HG23 1 1 7 2723 1 1 12 THR N N 0.069 2.050 -7.311 1.00 . A A . 12 THR N 1 1 7 2724 1 1 12 THR O O 2.467 2.397 -9.485 1.00 . A A . 12 THR O 1 1 7 2725 1 1 12 THR OG1 O -0.976 4.724 -7.254 1.00 . A A . 12 THR OG1 1 1 7 2726 1 1 13 MET C C 4.968 2.334 -6.424 1.00 . A A . 13 MET C 1 1 7 2727 1 1 13 MET CA C 4.382 3.099 -7.608 1.00 . A A . 13 MET CA 1 1 7 2728 1 1 13 MET CB C 5.061 4.464 -7.734 1.00 . A A . 13 MET CB 1 1 7 2729 1 1 13 MET CE C 5.049 7.777 -9.946 1.00 . A A . 13 MET CE 1 1 7 2730 1 1 13 MET CG C 4.770 5.170 -9.048 1.00 . A A . 13 MET CG 1 1 7 2731 1 1 13 MET H H 2.588 3.652 -6.637 1.00 . A A . 13 MET H 1 1 7 2732 1 1 13 MET HA H 4.562 2.534 -8.510 1.00 . A A . 13 MET HA 1 1 7 2733 1 1 13 MET HB2 H 4.722 5.098 -6.927 1.00 . A A . 13 MET HB2 1 1 7 2734 1 1 13 MET HB3 H 6.129 4.331 -7.650 1.00 . A A . 13 MET HB3 1 1 7 2735 1 1 13 MET HE1 H 5.592 8.391 -10.649 1.00 . A A . 13 MET HE1 1 1 7 2736 1 1 13 MET HE2 H 4.823 8.355 -9.062 1.00 . A A . 13 MET HE2 1 1 7 2737 1 1 13 MET HE3 H 4.129 7.438 -10.399 1.00 . A A . 13 MET HE3 1 1 7 2738 1 1 13 MET HG2 H 4.701 4.429 -9.831 1.00 . A A . 13 MET HG2 1 1 7 2739 1 1 13 MET HG3 H 3.828 5.690 -8.961 1.00 . A A . 13 MET HG3 1 1 7 2740 1 1 13 MET N N 2.941 3.263 -7.463 1.00 . A A . 13 MET N 1 1 7 2741 1 1 13 MET O O 6.179 2.342 -6.213 1.00 . A A . 13 MET O 1 1 7 2742 1 1 13 MET SD S 6.048 6.361 -9.494 1.00 . A A . 13 MET SD 1 1 7 2743 1 1 14 LYS C C 4.714 1.797 -3.268 1.00 . A A . 14 LYS C 1 1 7 2744 1 1 14 LYS CA C 4.510 0.896 -4.489 1.00 . A A . 14 LYS CA 1 1 7 2745 1 1 14 LYS CB C 5.780 0.080 -4.797 1.00 . A A . 14 LYS CB 1 1 7 2746 1 1 14 LYS CD C 8.268 0.281 -5.117 1.00 . A A . 14 LYS CD 1 1 7 2747 1 1 14 LYS CE C 9.556 0.303 -4.310 1.00 . A A . 14 LYS CE 1 1 7 2748 1 1 14 LYS CG C 7.073 0.692 -4.272 1.00 . A A . 14 LYS CG 1 1 7 2749 1 1 14 LYS H H 3.144 1.712 -5.882 1.00 . A A . 14 LYS H 1 1 7 2750 1 1 14 LYS HA H 3.708 0.208 -4.266 1.00 . A A . 14 LYS HA 1 1 7 2751 1 1 14 LYS HB2 H 5.674 -0.901 -4.359 1.00 . A A . 14 LYS HB2 1 1 7 2752 1 1 14 LYS HB3 H 5.870 -0.026 -5.868 1.00 . A A . 14 LYS HB3 1 1 7 2753 1 1 14 LYS HD2 H 8.106 -0.720 -5.490 1.00 . A A . 14 LYS HD2 1 1 7 2754 1 1 14 LYS HD3 H 8.362 0.966 -5.947 1.00 . A A . 14 LYS HD3 1 1 7 2755 1 1 14 LYS HE2 H 10.059 1.243 -4.484 1.00 . A A . 14 LYS HE2 1 1 7 2756 1 1 14 LYS HE3 H 9.310 0.216 -3.262 1.00 . A A . 14 LYS HE3 1 1 7 2757 1 1 14 LYS HG2 H 6.987 1.767 -4.288 1.00 . A A . 14 LYS HG2 1 1 7 2758 1 1 14 LYS HG3 H 7.229 0.358 -3.258 1.00 . A A . 14 LYS HG3 1 1 7 2759 1 1 14 LYS HZ1 H 11.168 -0.480 -5.384 1.00 . A A . 14 LYS HZ1 1 1 7 2760 1 1 14 LYS HZ2 H 9.924 -1.593 -5.106 1.00 . A A . 14 LYS HZ2 1 1 7 2761 1 1 14 LYS HZ3 H 10.970 -1.163 -3.848 1.00 . A A . 14 LYS HZ3 1 1 7 2762 1 1 14 LYS N N 4.097 1.675 -5.657 1.00 . A A . 14 LYS N 1 1 7 2763 1 1 14 LYS NZ N 10.468 -0.811 -4.688 1.00 . A A . 14 LYS NZ 1 1 7 2764 1 1 14 LYS O O 5.422 1.434 -2.328 1.00 . A A . 14 LYS O 1 1 7 2765 1 1 15 ASN C C 3.539 3.340 -0.923 1.00 . A A . 15 ASN C 1 1 7 2766 1 1 15 ASN CA C 4.184 3.909 -2.183 1.00 . A A . 15 ASN CA 1 1 7 2767 1 1 15 ASN CB C 3.519 5.232 -2.562 1.00 . A A . 15 ASN CB 1 1 7 2768 1 1 15 ASN CG C 2.159 5.040 -3.204 1.00 . A A . 15 ASN CG 1 1 7 2769 1 1 15 ASN H H 3.525 3.200 -4.053 1.00 . A A . 15 ASN H 1 1 7 2770 1 1 15 ASN HA H 5.232 4.083 -1.991 1.00 . A A . 15 ASN HA 1 1 7 2771 1 1 15 ASN HB2 H 3.393 5.826 -1.675 1.00 . A A . 15 ASN HB2 1 1 7 2772 1 1 15 ASN HB3 H 4.154 5.761 -3.257 1.00 . A A . 15 ASN HB3 1 1 7 2773 1 1 15 ASN HD21 H 2.674 6.230 -4.711 1.00 . A A . 15 ASN HD21 1 1 7 2774 1 1 15 ASN HD22 H 1.079 5.572 -4.786 1.00 . A A . 15 ASN HD22 1 1 7 2775 1 1 15 ASN N N 4.081 2.966 -3.285 1.00 . A A . 15 ASN N 1 1 7 2776 1 1 15 ASN ND2 N 1.950 5.679 -4.349 1.00 . A A . 15 ASN ND2 1 1 7 2777 1 1 15 ASN O O 2.436 3.733 -0.544 1.00 . A A . 15 ASN O 1 1 7 2778 1 1 15 ASN OD1 O 1.306 4.325 -2.677 1.00 . A A . 15 ASN OD1 1 1 7 2779 1 1 16 VAL C C 3.305 2.806 1.970 1.00 . A A . 16 VAL C 1 1 7 2780 1 1 16 VAL CA C 3.737 1.773 0.934 1.00 . A A . 16 VAL CA 1 1 7 2781 1 1 16 VAL CB C 4.797 0.851 1.563 1.00 . A A . 16 VAL CB 1 1 7 2782 1 1 16 VAL CG1 C 4.194 0.033 2.695 1.00 . A A . 16 VAL CG1 1 1 7 2783 1 1 16 VAL CG2 C 5.412 -0.055 0.506 1.00 . A A . 16 VAL CG2 1 1 7 2784 1 1 16 VAL H H 5.107 2.136 -0.638 1.00 . A A . 16 VAL H 1 1 7 2785 1 1 16 VAL HA H 2.884 1.169 0.668 1.00 . A A . 16 VAL HA 1 1 7 2786 1 1 16 VAL HB H 5.578 1.469 1.974 1.00 . A A . 16 VAL HB 1 1 7 2787 1 1 16 VAL HG11 H 3.238 0.451 2.973 1.00 . A A . 16 VAL HG11 1 1 7 2788 1 1 16 VAL HG12 H 4.858 0.054 3.546 1.00 . A A . 16 VAL HG12 1 1 7 2789 1 1 16 VAL HG13 H 4.059 -0.988 2.369 1.00 . A A . 16 VAL HG13 1 1 7 2790 1 1 16 VAL HG21 H 5.907 -0.885 0.988 1.00 . A A . 16 VAL HG21 1 1 7 2791 1 1 16 VAL HG22 H 6.130 0.504 -0.074 1.00 . A A . 16 VAL HG22 1 1 7 2792 1 1 16 VAL HG23 H 4.635 -0.428 -0.144 1.00 . A A . 16 VAL HG23 1 1 7 2793 1 1 16 VAL N N 4.236 2.407 -0.281 1.00 . A A . 16 VAL N 1 1 7 2794 1 1 16 VAL O O 2.304 2.622 2.663 1.00 . A A . 16 VAL O 1 1 7 2795 1 1 17 LEU C C 2.371 5.530 2.762 1.00 . A A . 17 LEU C 1 1 7 2796 1 1 17 LEU CA C 3.752 4.949 3.028 1.00 . A A . 17 LEU CA 1 1 7 2797 1 1 17 LEU CB C 4.809 6.053 2.960 1.00 . A A . 17 LEU CB 1 1 7 2798 1 1 17 LEU CD1 C 7.186 6.461 2.277 1.00 . A A . 17 LEU CD1 1 1 7 2799 1 1 17 LEU CD2 C 6.679 5.549 4.550 1.00 . A A . 17 LEU CD2 1 1 7 2800 1 1 17 LEU CG C 6.255 5.574 3.089 1.00 . A A . 17 LEU CG 1 1 7 2801 1 1 17 LEU H H 4.850 3.987 1.497 1.00 . A A . 17 LEU H 1 1 7 2802 1 1 17 LEU HA H 3.759 4.516 4.011 1.00 . A A . 17 LEU HA 1 1 7 2803 1 1 17 LEU HB2 H 4.703 6.565 2.014 1.00 . A A . 17 LEU HB2 1 1 7 2804 1 1 17 LEU HB3 H 4.615 6.756 3.754 1.00 . A A . 17 LEU HB3 1 1 7 2805 1 1 17 LEU HD11 H 8.035 5.883 1.944 1.00 . A A . 17 LEU HD11 1 1 7 2806 1 1 17 LEU HD12 H 7.527 7.282 2.890 1.00 . A A . 17 LEU HD12 1 1 7 2807 1 1 17 LEU HD13 H 6.656 6.848 1.419 1.00 . A A . 17 LEU HD13 1 1 7 2808 1 1 17 LEU HD21 H 6.118 6.290 5.100 1.00 . A A . 17 LEU HD21 1 1 7 2809 1 1 17 LEU HD22 H 7.734 5.770 4.622 1.00 . A A . 17 LEU HD22 1 1 7 2810 1 1 17 LEU HD23 H 6.487 4.571 4.964 1.00 . A A . 17 LEU HD23 1 1 7 2811 1 1 17 LEU HG H 6.331 4.568 2.701 1.00 . A A . 17 LEU HG 1 1 7 2812 1 1 17 LEU N N 4.063 3.893 2.073 1.00 . A A . 17 LEU N 1 1 7 2813 1 1 17 LEU O O 1.647 5.895 3.687 1.00 . A A . 17 LEU O 1 1 7 2814 1 1 18 ASN C C -0.387 5.112 1.351 1.00 . A A . 18 ASN C 1 1 7 2815 1 1 18 ASN CA C 0.717 6.128 1.084 1.00 . A A . 18 ASN CA 1 1 7 2816 1 1 18 ASN CB C 0.730 6.501 -0.399 1.00 . A A . 18 ASN CB 1 1 7 2817 1 1 18 ASN CG C -0.348 7.507 -0.753 1.00 . A A . 18 ASN CG 1 1 7 2818 1 1 18 ASN H H 2.639 5.286 0.807 1.00 . A A . 18 ASN H 1 1 7 2819 1 1 18 ASN HA H 0.521 7.014 1.667 1.00 . A A . 18 ASN HA 1 1 7 2820 1 1 18 ASN HB2 H 1.689 6.928 -0.648 1.00 . A A . 18 ASN HB2 1 1 7 2821 1 1 18 ASN HB3 H 0.573 5.610 -0.990 1.00 . A A . 18 ASN HB3 1 1 7 2822 1 1 18 ASN HD21 H 0.476 8.852 0.458 1.00 . A A . 18 ASN HD21 1 1 7 2823 1 1 18 ASN HD22 H -0.950 9.364 -0.373 1.00 . A A . 18 ASN HD22 1 1 7 2824 1 1 18 ASN N N 2.015 5.602 1.490 1.00 . A A . 18 ASN N 1 1 7 2825 1 1 18 ASN ND2 N -0.266 8.694 -0.163 1.00 . A A . 18 ASN ND2 1 1 7 2826 1 1 18 ASN O O -1.530 5.476 1.626 1.00 . A A . 18 ASN O 1 1 7 2827 1 1 18 ASN OD1 O -1.244 7.221 -1.546 1.00 . A A . 18 ASN OD1 1 1 7 2828 1 1 19 HIS C C -1.224 2.528 2.972 1.00 . A A . 19 HIS C 1 1 7 2829 1 1 19 HIS CA C -0.993 2.760 1.479 1.00 . A A . 19 HIS CA 1 1 7 2830 1 1 19 HIS CB C -0.508 1.473 0.795 1.00 . A A . 19 HIS CB 1 1 7 2831 1 1 19 HIS CD2 C -0.475 -0.683 2.214 1.00 . A A . 19 HIS CD2 1 1 7 2832 1 1 19 HIS CE1 C -2.514 -1.320 1.802 1.00 . A A . 19 HIS CE1 1 1 7 2833 1 1 19 HIS CG C -1.066 0.212 1.384 1.00 . A A . 19 HIS CG 1 1 7 2834 1 1 19 HIS H H 0.891 3.611 1.029 1.00 . A A . 19 HIS H 1 1 7 2835 1 1 19 HIS HA H -1.924 3.061 1.031 1.00 . A A . 19 HIS HA 1 1 7 2836 1 1 19 HIS HB2 H -0.792 1.502 -0.246 1.00 . A A . 19 HIS HB2 1 1 7 2837 1 1 19 HIS HB3 H 0.569 1.425 0.864 1.00 . A A . 19 HIS HB3 1 1 7 2838 1 1 19 HIS HD2 H 0.527 -0.635 2.607 1.00 . A A . 19 HIS HD2 1 1 7 2839 1 1 19 HIS HE1 H -3.438 -1.876 1.832 1.00 . A A . 19 HIS HE1 1 1 7 2840 1 1 19 HIS HE2 H -1.339 -2.339 3.174 1.00 . A A . 19 HIS HE2 1 1 7 2841 1 1 19 HIS N N -0.035 3.835 1.258 1.00 . A A . 19 HIS N 1 1 7 2842 1 1 19 HIS ND1 N -2.352 -0.201 1.130 1.00 . A A . 19 HIS ND1 1 1 7 2843 1 1 19 HIS NE2 N -1.404 -1.657 2.474 1.00 . A A . 19 HIS NE2 1 1 7 2844 1 1 19 HIS O O -2.348 2.635 3.459 1.00 . A A . 19 HIS O 1 1 7 2845 1 1 20 MET C C -0.880 3.146 5.860 1.00 . A A . 20 MET C 1 1 7 2846 1 1 20 MET CA C -0.256 1.959 5.130 1.00 . A A . 20 MET CA 1 1 7 2847 1 1 20 MET CB C 1.126 1.658 5.712 1.00 . A A . 20 MET CB 1 1 7 2848 1 1 20 MET CE C 1.228 0.121 9.539 1.00 . A A . 20 MET CE 1 1 7 2849 1 1 20 MET CG C 1.107 0.612 6.814 1.00 . A A . 20 MET CG 1 1 7 2850 1 1 20 MET H H 0.715 2.134 3.254 1.00 . A A . 20 MET H 1 1 7 2851 1 1 20 MET HA H -0.890 1.098 5.270 1.00 . A A . 20 MET HA 1 1 7 2852 1 1 20 MET HB2 H 1.769 1.303 4.919 1.00 . A A . 20 MET HB2 1 1 7 2853 1 1 20 MET HB3 H 1.540 2.569 6.117 1.00 . A A . 20 MET HB3 1 1 7 2854 1 1 20 MET HE1 H 1.492 -0.793 9.028 1.00 . A A . 20 MET HE1 1 1 7 2855 1 1 20 MET HE2 H 0.525 -0.099 10.329 1.00 . A A . 20 MET HE2 1 1 7 2856 1 1 20 MET HE3 H 2.116 0.567 9.961 1.00 . A A . 20 MET HE3 1 1 7 2857 1 1 20 MET HG2 H 0.476 -0.208 6.503 1.00 . A A . 20 MET HG2 1 1 7 2858 1 1 20 MET HG3 H 2.114 0.251 6.967 1.00 . A A . 20 MET HG3 1 1 7 2859 1 1 20 MET N N -0.157 2.208 3.695 1.00 . A A . 20 MET N 1 1 7 2860 1 1 20 MET O O -1.407 2.999 6.963 1.00 . A A . 20 MET O 1 1 7 2861 1 1 20 MET SD S 0.481 1.260 8.376 1.00 . A A . 20 MET SD 1 1 7 2862 1 1 21 THR C C -2.899 5.466 5.903 1.00 . A A . 21 THR C 1 1 7 2863 1 1 21 THR CA C -1.371 5.529 5.843 1.00 . A A . 21 THR CA 1 1 7 2864 1 1 21 THR CB C -0.904 6.766 5.058 1.00 . A A . 21 THR CB 1 1 7 2865 1 1 21 THR CG2 C -2.005 7.763 4.749 1.00 . A A . 21 THR CG2 1 1 7 2866 1 1 21 THR H H -0.380 4.382 4.370 1.00 . A A . 21 THR H 1 1 7 2867 1 1 21 THR HA H -0.992 5.594 6.850 1.00 . A A . 21 THR HA 1 1 7 2868 1 1 21 THR HB H -0.480 6.440 4.118 1.00 . A A . 21 THR HB 1 1 7 2869 1 1 21 THR HG1 H -0.256 7.759 6.616 1.00 . A A . 21 THR HG1 1 1 7 2870 1 1 21 THR HG21 H -2.448 8.107 5.671 1.00 . A A . 21 THR HG21 1 1 7 2871 1 1 21 THR HG22 H -2.760 7.287 4.141 1.00 . A A . 21 THR HG22 1 1 7 2872 1 1 21 THR HG23 H -1.589 8.604 4.214 1.00 . A A . 21 THR HG23 1 1 7 2873 1 1 21 THR N N -0.815 4.322 5.244 1.00 . A A . 21 THR N 1 1 7 2874 1 1 21 THR O O -3.525 6.185 6.681 1.00 . A A . 21 THR O 1 1 7 2875 1 1 21 THR OG1 O 0.101 7.459 5.777 1.00 . A A . 21 THR OG1 1 1 7 2876 1 1 22 HIS C C -5.403 3.025 5.083 1.00 . A A . 22 HIS C 1 1 7 2877 1 1 22 HIS CA C -4.953 4.481 5.043 1.00 . A A . 22 HIS CA 1 1 7 2878 1 1 22 HIS CB C -5.522 5.148 3.789 1.00 . A A . 22 HIS CB 1 1 7 2879 1 1 22 HIS CD2 C -4.578 3.356 2.136 1.00 . A A . 22 HIS CD2 1 1 7 2880 1 1 22 HIS CE1 C -4.276 4.668 0.409 1.00 . A A . 22 HIS CE1 1 1 7 2881 1 1 22 HIS CG C -4.970 4.608 2.499 1.00 . A A . 22 HIS CG 1 1 7 2882 1 1 22 HIS H H -2.951 4.069 4.470 1.00 . A A . 22 HIS H 1 1 7 2883 1 1 22 HIS HA H -5.347 4.987 5.912 1.00 . A A . 22 HIS HA 1 1 7 2884 1 1 22 HIS HB2 H -6.592 5.009 3.772 1.00 . A A . 22 HIS HB2 1 1 7 2885 1 1 22 HIS HB3 H -5.304 6.206 3.826 1.00 . A A . 22 HIS HB3 1 1 7 2886 1 1 22 HIS HD1 H -4.953 6.362 1.332 1.00 . A A . 22 HIS HD1 1 1 7 2887 1 1 22 HIS HD2 H -4.602 2.461 2.749 1.00 . A A . 22 HIS HD2 1 1 7 2888 1 1 22 HIS HE1 H -4.026 5.022 -0.582 1.00 . A A . 22 HIS HE1 1 1 7 2889 1 1 22 HIS HE2 H -3.595 2.751 0.402 1.00 . A A . 22 HIS HE2 1 1 7 2890 1 1 22 HIS N N -3.497 4.613 5.074 1.00 . A A . 22 HIS N 1 1 7 2891 1 1 22 HIS ND1 N -4.766 5.402 1.391 1.00 . A A . 22 HIS ND1 1 1 7 2892 1 1 22 HIS NE2 N -4.150 3.425 0.835 1.00 . A A . 22 HIS NE2 1 1 7 2893 1 1 22 HIS O O -6.585 2.741 5.278 1.00 . A A . 22 HIS O 1 1 7 2894 1 1 23 CYS C C -4.187 -0.022 6.053 1.00 . A A . 23 CYS C 1 1 7 2895 1 1 23 CYS CA C -4.793 0.698 4.852 1.00 . A A . 23 CYS CA 1 1 7 2896 1 1 23 CYS CB C -4.263 0.110 3.555 1.00 . A A . 23 CYS CB 1 1 7 2897 1 1 23 CYS H H -3.554 2.374 4.693 1.00 . A A . 23 CYS H 1 1 7 2898 1 1 23 CYS HA H -5.866 0.592 4.876 1.00 . A A . 23 CYS HA 1 1 7 2899 1 1 23 CYS HB2 H -3.443 0.721 3.208 1.00 . A A . 23 CYS HB2 1 1 7 2900 1 1 23 CYS HB3 H -3.900 -0.880 3.744 1.00 . A A . 23 CYS HB3 1 1 7 2901 1 1 23 CYS N N -4.474 2.105 4.870 1.00 . A A . 23 CYS N 1 1 7 2902 1 1 23 CYS O O -3.560 0.599 6.910 1.00 . A A . 23 CYS O 1 1 7 2903 1 1 23 CYS SG S -5.488 0.026 2.205 1.00 . A A . 23 CYS SG 1 1 7 2904 1 1 24 GLN C C -3.595 -3.574 6.749 1.00 . A A . 24 GLN C 1 1 7 2905 1 1 24 GLN CA C -3.853 -2.141 7.203 1.00 . A A . 24 GLN CA 1 1 7 2906 1 1 24 GLN CB C -4.825 -2.135 8.384 1.00 . A A . 24 GLN CB 1 1 7 2907 1 1 24 GLN CD C -6.369 -0.786 9.859 1.00 . A A . 24 GLN CD 1 1 7 2908 1 1 24 GLN CG C -5.397 -0.762 8.696 1.00 . A A . 24 GLN CG 1 1 7 2909 1 1 24 GLN H H -4.889 -1.775 5.394 1.00 . A A . 24 GLN H 1 1 7 2910 1 1 24 GLN HA H -2.917 -1.702 7.516 1.00 . A A . 24 GLN HA 1 1 7 2911 1 1 24 GLN HB2 H -5.645 -2.802 8.163 1.00 . A A . 24 GLN HB2 1 1 7 2912 1 1 24 GLN HB3 H -4.308 -2.494 9.262 1.00 . A A . 24 GLN HB3 1 1 7 2913 1 1 24 GLN HE21 H -5.120 0.304 10.957 1.00 . A A . 24 GLN HE21 1 1 7 2914 1 1 24 GLN HE22 H -6.602 -0.143 11.726 1.00 . A A . 24 GLN HE22 1 1 7 2915 1 1 24 GLN HG2 H -4.585 -0.094 8.940 1.00 . A A . 24 GLN HG2 1 1 7 2916 1 1 24 GLN HG3 H -5.914 -0.395 7.821 1.00 . A A . 24 GLN HG3 1 1 7 2917 1 1 24 GLN N N -4.380 -1.336 6.108 1.00 . A A . 24 GLN N 1 1 7 2918 1 1 24 GLN NE2 N -5.992 -0.144 10.958 1.00 . A A . 24 GLN NE2 1 1 7 2919 1 1 24 GLN O O -4.491 -4.244 6.237 1.00 . A A . 24 GLN O 1 1 7 2920 1 1 24 GLN OE1 O -7.447 -1.375 9.771 1.00 . A A . 24 GLN OE1 1 1 7 2921 1 1 25 ALA C C -0.550 -5.699 6.958 1.00 . A A . 25 ALA C 1 1 7 2922 1 1 25 ALA CA C -1.988 -5.392 6.553 1.00 . A A . 25 ALA CA 1 1 7 2923 1 1 25 ALA CB C -2.167 -5.580 5.054 1.00 . A A . 25 ALA CB 1 1 7 2924 1 1 25 ALA H H -1.694 -3.456 7.356 1.00 . A A . 25 ALA H 1 1 7 2925 1 1 25 ALA HA H -2.649 -6.080 7.059 1.00 . A A . 25 ALA HA 1 1 7 2926 1 1 25 ALA HB1 H -2.944 -4.919 4.698 1.00 . A A . 25 ALA HB1 1 1 7 2927 1 1 25 ALA HB2 H -2.443 -6.603 4.850 1.00 . A A . 25 ALA HB2 1 1 7 2928 1 1 25 ALA HB3 H -1.240 -5.350 4.549 1.00 . A A . 25 ALA HB3 1 1 7 2929 1 1 25 ALA N N -2.364 -4.038 6.942 1.00 . A A . 25 ALA N 1 1 7 2930 1 1 25 ALA O O 0.358 -5.677 6.127 1.00 . A A . 25 ALA O 1 1 7 2931 1 1 26 GLY C C 0.994 -6.591 10.219 1.00 . A A . 26 GLY C 1 1 7 2932 1 1 26 GLY CA C 0.979 -6.294 8.733 1.00 . A A . 26 GLY CA 1 1 7 2933 1 1 26 GLY H H -1.112 -5.988 8.857 1.00 . A A . 26 GLY H 1 1 7 2934 1 1 26 GLY HA2 H 1.357 -7.154 8.201 1.00 . A A . 26 GLY HA2 1 1 7 2935 1 1 26 GLY HA3 H 1.627 -5.451 8.539 1.00 . A A . 26 GLY HA3 1 1 7 2936 1 1 26 GLY N N -0.351 -5.986 8.240 1.00 . A A . 26 GLY N 1 1 7 2937 1 1 26 GLY O O 0.267 -7.466 10.691 1.00 . A A . 26 GLY O 1 1 7 2938 1 1 27 LYS C C 0.593 -5.785 13.085 1.00 . A A . 27 LYS C 1 1 7 2939 1 1 27 LYS CA C 1.930 -6.052 12.400 1.00 . A A . 27 LYS CA 1 1 7 2940 1 1 27 LYS CB C 3.006 -5.131 12.979 1.00 . A A . 27 LYS CB 1 1 7 2941 1 1 27 LYS CD C 5.141 -6.329 13.543 1.00 . A A . 27 LYS CD 1 1 7 2942 1 1 27 LYS CE C 5.509 -7.641 14.216 1.00 . A A . 27 LYS CE 1 1 7 2943 1 1 27 LYS CG C 3.831 -5.776 14.080 1.00 . A A . 27 LYS CG 1 1 7 2944 1 1 27 LYS H H 2.377 -5.180 10.524 1.00 . A A . 27 LYS H 1 1 7 2945 1 1 27 LYS HA H 2.213 -7.078 12.579 1.00 . A A . 27 LYS HA 1 1 7 2946 1 1 27 LYS HB2 H 3.674 -4.834 12.184 1.00 . A A . 27 LYS HB2 1 1 7 2947 1 1 27 LYS HB3 H 2.530 -4.250 13.384 1.00 . A A . 27 LYS HB3 1 1 7 2948 1 1 27 LYS HD2 H 5.042 -6.497 12.481 1.00 . A A . 27 LYS HD2 1 1 7 2949 1 1 27 LYS HD3 H 5.926 -5.609 13.724 1.00 . A A . 27 LYS HD3 1 1 7 2950 1 1 27 LYS HE2 H 4.612 -8.089 14.617 1.00 . A A . 27 LYS HE2 1 1 7 2951 1 1 27 LYS HE3 H 5.941 -8.301 13.478 1.00 . A A . 27 LYS HE3 1 1 7 2952 1 1 27 LYS HG2 H 4.048 -5.035 14.835 1.00 . A A . 27 LYS HG2 1 1 7 2953 1 1 27 LYS HG3 H 3.262 -6.583 14.517 1.00 . A A . 27 LYS HG3 1 1 7 2954 1 1 27 LYS HZ1 H 6.024 -6.980 16.130 1.00 . A A . 27 LYS HZ1 1 1 7 2955 1 1 27 LYS HZ2 H 7.275 -6.847 15.000 1.00 . A A . 27 LYS HZ2 1 1 7 2956 1 1 27 LYS HZ3 H 6.866 -8.361 15.632 1.00 . A A . 27 LYS HZ3 1 1 7 2957 1 1 27 LYS N N 1.823 -5.862 10.958 1.00 . A A . 27 LYS N 1 1 7 2958 1 1 27 LYS NZ N 6.487 -7.443 15.322 1.00 . A A . 27 LYS NZ 1 1 7 2959 1 1 27 LYS O O 0.227 -6.563 13.990 1.00 . A A . 27 LYS O 1 1 7 2960 1 1 27 LYS OXT O -0.077 -4.800 12.710 1.00 . A A . 27 LYS OXT 1 1 7 2961 2 2 1 ZN ZN ZN -4.170 -0.092 0.319 1.00 . B A . 28 ZN ZN 1 1 8 2962 1 1 1 GLU C C 0.804 -2.957 1.444 1.00 . A A . 1 GLU C 1 1 8 2963 1 1 1 GLU CA C 1.550 -3.151 2.756 1.00 . A A . 1 GLU CA 1 1 8 2964 1 1 1 GLU CB C 2.514 -4.333 2.648 1.00 . A A . 1 GLU CB 1 1 8 2965 1 1 1 GLU CD C 4.882 -5.104 2.225 1.00 . A A . 1 GLU CD 1 1 8 2966 1 1 1 GLU CG C 3.915 -3.937 2.210 1.00 . A A . 1 GLU CG 1 1 8 2967 1 1 1 GLU H1 H -0.091 -4.103 3.553 1.00 . A A . 1 GLU H1 1 1 8 2968 1 1 1 GLU H2 H 0.154 -2.503 4.122 1.00 . A A . 1 GLU H2 1 1 8 2969 1 1 1 GLU H3 H 1.161 -3.777 4.677 1.00 . A A . 1 GLU H3 1 1 8 2970 1 1 1 GLU HA H 2.109 -2.252 2.973 1.00 . A A . 1 GLU HA 1 1 8 2971 1 1 1 GLU HB2 H 2.585 -4.815 3.611 1.00 . A A . 1 GLU HB2 1 1 8 2972 1 1 1 GLU HB3 H 2.122 -5.038 1.930 1.00 . A A . 1 GLU HB3 1 1 8 2973 1 1 1 GLU HG2 H 3.867 -3.543 1.206 1.00 . A A . 1 GLU HG2 1 1 8 2974 1 1 1 GLU HG3 H 4.285 -3.173 2.878 1.00 . A A . 1 GLU HG3 1 1 8 2975 1 1 1 GLU N N 0.609 -3.407 3.878 1.00 . A A . 1 GLU N 1 1 8 2976 1 1 1 GLU O O -0.075 -3.742 1.090 1.00 . A A . 1 GLU O 1 1 8 2977 1 1 1 GLU OE1 O 5.083 -5.695 3.307 1.00 . A A . 1 GLU OE1 1 1 8 2978 1 1 1 GLU OE2 O 5.439 -5.428 1.155 1.00 . A A . 1 GLU OE2 1 1 8 2979 1 1 2 VAL C C 0.654 -2.742 -1.527 1.00 . A A . 2 VAL C 1 1 8 2980 1 1 2 VAL CA C 0.538 -1.580 -0.545 1.00 . A A . 2 VAL CA 1 1 8 2981 1 1 2 VAL CB C 1.171 -0.320 -1.164 1.00 . A A . 2 VAL CB 1 1 8 2982 1 1 2 VAL CG1 C 2.608 -0.588 -1.588 1.00 . A A . 2 VAL CG1 1 1 8 2983 1 1 2 VAL CG2 C 0.340 0.179 -2.338 1.00 . A A . 2 VAL CG2 1 1 8 2984 1 1 2 VAL H H 1.870 -1.312 1.072 1.00 . A A . 2 VAL H 1 1 8 2985 1 1 2 VAL HA H -0.508 -1.379 -0.362 1.00 . A A . 2 VAL HA 1 1 8 2986 1 1 2 VAL HB H 1.186 0.451 -0.407 1.00 . A A . 2 VAL HB 1 1 8 2987 1 1 2 VAL HG11 H 3.026 -1.368 -0.970 1.00 . A A . 2 VAL HG11 1 1 8 2988 1 1 2 VAL HG12 H 3.191 0.313 -1.473 1.00 . A A . 2 VAL HG12 1 1 8 2989 1 1 2 VAL HG13 H 2.626 -0.899 -2.622 1.00 . A A . 2 VAL HG13 1 1 8 2990 1 1 2 VAL HG21 H -0.385 -0.573 -2.612 1.00 . A A . 2 VAL HG21 1 1 8 2991 1 1 2 VAL HG22 H 0.987 0.378 -3.180 1.00 . A A . 2 VAL HG22 1 1 8 2992 1 1 2 VAL HG23 H -0.172 1.087 -2.056 1.00 . A A . 2 VAL HG23 1 1 8 2993 1 1 2 VAL N N 1.163 -1.898 0.730 1.00 . A A . 2 VAL N 1 1 8 2994 1 1 2 VAL O O -0.237 -2.968 -2.346 1.00 . A A . 2 VAL O 1 1 8 2995 1 1 3 ARG C C 0.960 -5.716 -2.067 1.00 . A A . 3 ARG C 1 1 8 2996 1 1 3 ARG CA C 1.989 -4.617 -2.315 1.00 . A A . 3 ARG CA 1 1 8 2997 1 1 3 ARG CB C 3.401 -5.168 -2.107 1.00 . A A . 3 ARG CB 1 1 8 2998 1 1 3 ARG CD C 4.932 -4.625 -4.024 1.00 . A A . 3 ARG CD 1 1 8 2999 1 1 3 ARG CG C 4.048 -5.682 -3.383 1.00 . A A . 3 ARG CG 1 1 8 3000 1 1 3 ARG CZ C 6.155 -5.829 -5.793 1.00 . A A . 3 ARG CZ 1 1 8 3001 1 1 3 ARG H H 2.430 -3.249 -0.762 1.00 . A A . 3 ARG H 1 1 8 3002 1 1 3 ARG HA H 1.893 -4.274 -3.334 1.00 . A A . 3 ARG HA 1 1 8 3003 1 1 3 ARG HB2 H 4.025 -4.385 -1.703 1.00 . A A . 3 ARG HB2 1 1 8 3004 1 1 3 ARG HB3 H 3.357 -5.982 -1.398 1.00 . A A . 3 ARG HB3 1 1 8 3005 1 1 3 ARG HD2 H 4.368 -4.122 -4.796 1.00 . A A . 3 ARG HD2 1 1 8 3006 1 1 3 ARG HD3 H 5.222 -3.910 -3.268 1.00 . A A . 3 ARG HD3 1 1 8 3007 1 1 3 ARG HE H 6.972 -5.123 -4.114 1.00 . A A . 3 ARG HE 1 1 8 3008 1 1 3 ARG HG2 H 4.650 -6.546 -3.147 1.00 . A A . 3 ARG HG2 1 1 8 3009 1 1 3 ARG HG3 H 3.272 -5.962 -4.081 1.00 . A A . 3 ARG HG3 1 1 8 3010 1 1 3 ARG HH11 H 4.180 -5.585 -6.157 1.00 . A A . 3 ARG HH11 1 1 8 3011 1 1 3 ARG HH12 H 5.063 -6.428 -7.385 1.00 . A A . 3 ARG HH12 1 1 8 3012 1 1 3 ARG HH21 H 8.135 -6.231 -5.729 1.00 . A A . 3 ARG HH21 1 1 8 3013 1 1 3 ARG HH22 H 7.308 -6.795 -7.143 1.00 . A A . 3 ARG HH22 1 1 8 3014 1 1 3 ARG N N 1.757 -3.478 -1.436 1.00 . A A . 3 ARG N 1 1 8 3015 1 1 3 ARG NE N 6.135 -5.204 -4.618 1.00 . A A . 3 ARG NE 1 1 8 3016 1 1 3 ARG NH1 N 5.041 -5.958 -6.503 1.00 . A A . 3 ARG NH1 1 1 8 3017 1 1 3 ARG NH2 N 7.293 -6.325 -6.260 1.00 . A A . 3 ARG NH2 1 1 8 3018 1 1 3 ARG O O 0.653 -6.504 -2.960 1.00 . A A . 3 ARG O 1 1 8 3019 1 1 4 ALA C C -1.979 -6.196 -0.515 1.00 . A A . 4 ALA C 1 1 8 3020 1 1 4 ALA CA C -0.562 -6.767 -0.486 1.00 . A A . 4 ALA CA 1 1 8 3021 1 1 4 ALA CB C -0.253 -7.343 0.887 1.00 . A A . 4 ALA CB 1 1 8 3022 1 1 4 ALA H H 0.715 -5.108 -0.176 1.00 . A A . 4 ALA H 1 1 8 3023 1 1 4 ALA HA H -0.498 -7.567 -1.206 1.00 . A A . 4 ALA HA 1 1 8 3024 1 1 4 ALA HB1 H -0.757 -8.291 1.002 1.00 . A A . 4 ALA HB1 1 1 8 3025 1 1 4 ALA HB2 H -0.594 -6.658 1.650 1.00 . A A . 4 ALA HB2 1 1 8 3026 1 1 4 ALA HB3 H 0.813 -7.487 0.985 1.00 . A A . 4 ALA HB3 1 1 8 3027 1 1 4 ALA N N 0.431 -5.763 -0.848 1.00 . A A . 4 ALA N 1 1 8 3028 1 1 4 ALA O O -2.941 -6.893 -0.193 1.00 . A A . 4 ALA O 1 1 8 3029 1 1 5 CYS C C -4.191 -4.766 -2.189 1.00 . A A . 5 CYS C 1 1 8 3030 1 1 5 CYS CA C -3.409 -4.284 -0.973 1.00 . A A . 5 CYS CA 1 1 8 3031 1 1 5 CYS CB C -3.258 -2.765 -1.038 1.00 . A A . 5 CYS CB 1 1 8 3032 1 1 5 CYS H H -1.308 -4.423 -1.152 1.00 . A A . 5 CYS H 1 1 8 3033 1 1 5 CYS HA H -3.955 -4.541 -0.078 1.00 . A A . 5 CYS HA 1 1 8 3034 1 1 5 CYS HB2 H -2.525 -2.451 -0.317 1.00 . A A . 5 CYS HB2 1 1 8 3035 1 1 5 CYS HB3 H -2.928 -2.485 -2.028 1.00 . A A . 5 CYS HB3 1 1 8 3036 1 1 5 CYS N N -2.105 -4.930 -0.904 1.00 . A A . 5 CYS N 1 1 8 3037 1 1 5 CYS O O -3.614 -5.284 -3.145 1.00 . A A . 5 CYS O 1 1 8 3038 1 1 5 CYS SG S -4.798 -1.862 -0.690 1.00 . A A . 5 CYS SG 1 1 8 3039 1 1 6 SER C C -7.072 -3.776 -3.863 1.00 . A A . 6 SER C 1 1 8 3040 1 1 6 SER CA C -6.365 -4.986 -3.255 1.00 . A A . 6 SER CA 1 1 8 3041 1 1 6 SER CB C -7.398 -6.008 -2.777 1.00 . A A . 6 SER CB 1 1 8 3042 1 1 6 SER H H -5.906 -4.157 -1.365 1.00 . A A . 6 SER H 1 1 8 3043 1 1 6 SER HA H -5.743 -5.442 -4.011 1.00 . A A . 6 SER HA 1 1 8 3044 1 1 6 SER HB2 H -8.216 -6.046 -3.481 1.00 . A A . 6 SER HB2 1 1 8 3045 1 1 6 SER HB3 H -6.934 -6.982 -2.712 1.00 . A A . 6 SER HB3 1 1 8 3046 1 1 6 SER HG H -8.172 -4.736 -1.504 1.00 . A A . 6 SER HG 1 1 8 3047 1 1 6 SER N N -5.505 -4.582 -2.151 1.00 . A A . 6 SER N 1 1 8 3048 1 1 6 SER O O -8.069 -3.922 -4.571 1.00 . A A . 6 SER O 1 1 8 3049 1 1 6 SER OG O -7.909 -5.660 -1.502 1.00 . A A . 6 SER OG 1 1 8 3050 1 1 7 LEU C C -6.299 -0.775 -5.240 1.00 . A A . 7 LEU C 1 1 8 3051 1 1 7 LEU CA C -7.144 -1.353 -4.106 1.00 . A A . 7 LEU CA 1 1 8 3052 1 1 7 LEU CB C -7.291 -0.316 -2.991 1.00 . A A . 7 LEU CB 1 1 8 3053 1 1 7 LEU CD1 C -7.596 -0.369 -0.497 1.00 . A A . 7 LEU CD1 1 1 8 3054 1 1 7 LEU CD2 C -9.579 -0.066 -1.994 1.00 . A A . 7 LEU CD2 1 1 8 3055 1 1 7 LEU CG C -8.216 -0.726 -1.841 1.00 . A A . 7 LEU CG 1 1 8 3056 1 1 7 LEU H H -5.756 -2.523 -3.013 1.00 . A A . 7 LEU H 1 1 8 3057 1 1 7 LEU HA H -8.123 -1.596 -4.490 1.00 . A A . 7 LEU HA 1 1 8 3058 1 1 7 LEU HB2 H -6.311 -0.112 -2.585 1.00 . A A . 7 LEU HB2 1 1 8 3059 1 1 7 LEU HB3 H -7.676 0.594 -3.425 1.00 . A A . 7 LEU HB3 1 1 8 3060 1 1 7 LEU HD11 H -8.314 0.173 0.100 1.00 . A A . 7 LEU HD11 1 1 8 3061 1 1 7 LEU HD12 H -6.721 0.245 -0.654 1.00 . A A . 7 LEU HD12 1 1 8 3062 1 1 7 LEU HD13 H -7.311 -1.274 0.019 1.00 . A A . 7 LEU HD13 1 1 8 3063 1 1 7 LEU HD21 H -9.487 0.995 -1.809 1.00 . A A . 7 LEU HD21 1 1 8 3064 1 1 7 LEU HD22 H -10.269 -0.496 -1.284 1.00 . A A . 7 LEU HD22 1 1 8 3065 1 1 7 LEU HD23 H -9.947 -0.226 -2.997 1.00 . A A . 7 LEU HD23 1 1 8 3066 1 1 7 LEU HG H -8.358 -1.797 -1.868 1.00 . A A . 7 LEU HG 1 1 8 3067 1 1 7 LEU N N -6.553 -2.581 -3.583 1.00 . A A . 7 LEU N 1 1 8 3068 1 1 7 LEU O O -5.071 -0.849 -5.209 1.00 . A A . 7 LEU O 1 1 8 3069 1 1 8 PRO C C -5.695 1.801 -7.079 1.00 . A A . 8 PRO C 1 1 8 3070 1 1 8 PRO CA C -6.254 0.416 -7.397 1.00 . A A . 8 PRO CA 1 1 8 3071 1 1 8 PRO CB C -7.352 0.512 -8.452 1.00 . A A . 8 PRO CB 1 1 8 3072 1 1 8 PRO CD C -8.415 -0.043 -6.373 1.00 . A A . 8 PRO CD 1 1 8 3073 1 1 8 PRO CG C -8.605 0.706 -7.669 1.00 . A A . 8 PRO CG 1 1 8 3074 1 1 8 PRO HA H -5.459 -0.221 -7.757 1.00 . A A . 8 PRO HA 1 1 8 3075 1 1 8 PRO HB2 H -7.158 1.352 -9.104 1.00 . A A . 8 PRO HB2 1 1 8 3076 1 1 8 PRO HB3 H -7.385 -0.400 -9.029 1.00 . A A . 8 PRO HB3 1 1 8 3077 1 1 8 PRO HD2 H -8.814 0.527 -5.547 1.00 . A A . 8 PRO HD2 1 1 8 3078 1 1 8 PRO HD3 H -8.890 -1.012 -6.426 1.00 . A A . 8 PRO HD3 1 1 8 3079 1 1 8 PRO HG2 H -8.756 1.757 -7.474 1.00 . A A . 8 PRO HG2 1 1 8 3080 1 1 8 PRO HG3 H -9.444 0.301 -8.214 1.00 . A A . 8 PRO HG3 1 1 8 3081 1 1 8 PRO N N -6.950 -0.182 -6.257 1.00 . A A . 8 PRO N 1 1 8 3082 1 1 8 PRO O O -4.984 2.395 -7.890 1.00 . A A . 8 PRO O 1 1 8 3083 1 1 9 HIS C C -4.149 3.534 -4.881 1.00 . A A . 9 HIS C 1 1 8 3084 1 1 9 HIS CA C -5.551 3.625 -5.467 1.00 . A A . 9 HIS CA 1 1 8 3085 1 1 9 HIS CB C -6.500 4.215 -4.424 1.00 . A A . 9 HIS CB 1 1 8 3086 1 1 9 HIS CD2 C -5.241 6.284 -3.501 1.00 . A A . 9 HIS CD2 1 1 8 3087 1 1 9 HIS CE1 C -6.636 7.836 -4.171 1.00 . A A . 9 HIS CE1 1 1 8 3088 1 1 9 HIS CG C -6.256 5.666 -4.149 1.00 . A A . 9 HIS CG 1 1 8 3089 1 1 9 HIS H H -6.588 1.792 -5.288 1.00 . A A . 9 HIS H 1 1 8 3090 1 1 9 HIS HA H -5.530 4.271 -6.332 1.00 . A A . 9 HIS HA 1 1 8 3091 1 1 9 HIS HB2 H -7.518 4.106 -4.768 1.00 . A A . 9 HIS HB2 1 1 8 3092 1 1 9 HIS HB3 H -6.379 3.677 -3.493 1.00 . A A . 9 HIS HB3 1 1 8 3093 1 1 9 HIS HD1 H -7.948 6.538 -5.054 1.00 . A A . 9 HIS HD1 1 1 8 3094 1 1 9 HIS HD2 H -4.385 5.804 -3.046 1.00 . A A . 9 HIS HD2 1 1 8 3095 1 1 9 HIS HE1 H -7.097 8.797 -4.349 1.00 . A A . 9 HIS HE1 1 1 8 3096 1 1 9 HIS HE2 H -4.898 8.335 -3.208 1.00 . A A . 9 HIS HE2 1 1 8 3097 1 1 9 HIS N N -6.020 2.311 -5.893 1.00 . A A . 9 HIS N 1 1 8 3098 1 1 9 HIS ND1 N -7.114 6.666 -4.556 1.00 . A A . 9 HIS ND1 1 1 8 3099 1 1 9 HIS NE2 N -5.502 7.631 -3.528 1.00 . A A . 9 HIS NE2 1 1 8 3100 1 1 9 HIS O O -3.261 4.311 -5.233 1.00 . A A . 9 HIS O 1 1 8 3101 1 1 10 CYS C C -1.660 1.799 -4.300 1.00 . A A . 10 CYS C 1 1 8 3102 1 1 10 CYS CA C -2.679 2.379 -3.326 1.00 . A A . 10 CYS CA 1 1 8 3103 1 1 10 CYS CB C -2.838 1.451 -2.120 1.00 . A A . 10 CYS CB 1 1 8 3104 1 1 10 CYS H H -4.717 1.999 -3.741 1.00 . A A . 10 CYS H 1 1 8 3105 1 1 10 CYS HA H -2.326 3.340 -2.985 1.00 . A A . 10 CYS HA 1 1 8 3106 1 1 10 CYS HB2 H -2.849 0.429 -2.463 1.00 . A A . 10 CYS HB2 1 1 8 3107 1 1 10 CYS HB3 H -1.999 1.592 -1.455 1.00 . A A . 10 CYS HB3 1 1 8 3108 1 1 10 CYS N N -3.965 2.581 -3.978 1.00 . A A . 10 CYS N 1 1 8 3109 1 1 10 CYS O O -0.461 2.050 -4.180 1.00 . A A . 10 CYS O 1 1 8 3110 1 1 10 CYS SG S -4.362 1.725 -1.156 1.00 . A A . 10 CYS SG 1 1 8 3111 1 1 11 ARG C C -0.790 1.458 -7.266 1.00 . A A . 11 ARG C 1 1 8 3112 1 1 11 ARG CA C -1.271 0.415 -6.261 1.00 . A A . 11 ARG CA 1 1 8 3113 1 1 11 ARG CB C -2.002 -0.720 -6.984 1.00 . A A . 11 ARG CB 1 1 8 3114 1 1 11 ARG CD C -0.410 -2.337 -8.066 1.00 . A A . 11 ARG CD 1 1 8 3115 1 1 11 ARG CG C -1.303 -2.065 -6.865 1.00 . A A . 11 ARG CG 1 1 8 3116 1 1 11 ARG CZ C -0.365 -3.932 -9.944 1.00 . A A . 11 ARG CZ 1 1 8 3117 1 1 11 ARG H H -3.111 0.864 -5.312 1.00 . A A . 11 ARG H 1 1 8 3118 1 1 11 ARG HA H -0.414 0.009 -5.745 1.00 . A A . 11 ARG HA 1 1 8 3119 1 1 11 ARG HB2 H -2.993 -0.817 -6.567 1.00 . A A . 11 ARG HB2 1 1 8 3120 1 1 11 ARG HB3 H -2.085 -0.473 -8.032 1.00 . A A . 11 ARG HB3 1 1 8 3121 1 1 11 ARG HD2 H -0.203 -1.403 -8.565 1.00 . A A . 11 ARG HD2 1 1 8 3122 1 1 11 ARG HD3 H 0.516 -2.771 -7.718 1.00 . A A . 11 ARG HD3 1 1 8 3123 1 1 11 ARG HE H -2.008 -3.370 -8.960 1.00 . A A . 11 ARG HE 1 1 8 3124 1 1 11 ARG HG2 H -0.697 -2.067 -5.972 1.00 . A A . 11 ARG HG2 1 1 8 3125 1 1 11 ARG HG3 H -2.049 -2.842 -6.798 1.00 . A A . 11 ARG HG3 1 1 8 3126 1 1 11 ARG HH11 H 1.445 -3.189 -9.433 1.00 . A A . 11 ARG HH11 1 1 8 3127 1 1 11 ARG HH12 H 1.450 -4.313 -10.750 1.00 . A A . 11 ARG HH12 1 1 8 3128 1 1 11 ARG HH21 H -2.004 -4.849 -10.692 1.00 . A A . 11 ARG HH21 1 1 8 3129 1 1 11 ARG HH22 H -0.508 -5.256 -11.465 1.00 . A A . 11 ARG HH22 1 1 8 3130 1 1 11 ARG N N -2.144 1.026 -5.266 1.00 . A A . 11 ARG N 1 1 8 3131 1 1 11 ARG NE N -1.036 -3.254 -9.016 1.00 . A A . 11 ARG NE 1 1 8 3132 1 1 11 ARG NH1 N 0.951 -3.800 -10.051 1.00 . A A . 11 ARG NH1 1 1 8 3133 1 1 11 ARG NH2 N -1.012 -4.746 -10.768 1.00 . A A . 11 ARG NH2 1 1 8 3134 1 1 11 ARG O O -1.380 1.625 -8.333 1.00 . A A . 11 ARG O 1 1 8 3135 1 1 12 THR C C 2.352 3.032 -7.916 1.00 . A A . 12 THR C 1 1 8 3136 1 1 12 THR CA C 0.839 3.191 -7.779 1.00 . A A . 12 THR CA 1 1 8 3137 1 1 12 THR CB C 0.502 4.579 -7.228 1.00 . A A . 12 THR CB 1 1 8 3138 1 1 12 THR CG2 C 1.085 5.710 -8.048 1.00 . A A . 12 THR CG2 1 1 8 3139 1 1 12 THR H H 0.704 1.984 -6.046 1.00 . A A . 12 THR H 1 1 8 3140 1 1 12 THR HA H 0.389 3.083 -8.755 1.00 . A A . 12 THR HA 1 1 8 3141 1 1 12 THR HB H 0.896 4.659 -6.225 1.00 . A A . 12 THR HB 1 1 8 3142 1 1 12 THR HG1 H -1.263 4.742 -8.060 1.00 . A A . 12 THR HG1 1 1 8 3143 1 1 12 THR HG21 H 0.393 6.540 -8.060 1.00 . A A . 12 THR HG21 1 1 8 3144 1 1 12 THR HG22 H 1.257 5.371 -9.059 1.00 . A A . 12 THR HG22 1 1 8 3145 1 1 12 THR HG23 H 2.020 6.028 -7.611 1.00 . A A . 12 THR HG23 1 1 8 3146 1 1 12 THR N N 0.281 2.160 -6.913 1.00 . A A . 12 THR N 1 1 8 3147 1 1 12 THR O O 2.841 2.477 -8.900 1.00 . A A . 12 THR O 1 1 8 3148 1 1 12 THR OG1 O -0.900 4.768 -7.172 1.00 . A A . 12 THR OG1 1 1 8 3149 1 1 13 MET C C 5.049 2.538 -5.798 1.00 . A A . 13 MET C 1 1 8 3150 1 1 13 MET CA C 4.544 3.429 -6.931 1.00 . A A . 13 MET CA 1 1 8 3151 1 1 13 MET CB C 5.162 4.823 -6.812 1.00 . A A . 13 MET CB 1 1 8 3152 1 1 13 MET CE C 5.832 7.466 -9.957 1.00 . A A . 13 MET CE 1 1 8 3153 1 1 13 MET CG C 4.914 5.704 -8.025 1.00 . A A . 13 MET CG 1 1 8 3154 1 1 13 MET H H 2.645 3.949 -6.162 1.00 . A A . 13 MET H 1 1 8 3155 1 1 13 MET HA H 4.842 2.994 -7.873 1.00 . A A . 13 MET HA 1 1 8 3156 1 1 13 MET HB2 H 4.747 5.316 -5.945 1.00 . A A . 13 MET HB2 1 1 8 3157 1 1 13 MET HB3 H 6.230 4.721 -6.681 1.00 . A A . 13 MET HB3 1 1 8 3158 1 1 13 MET HE1 H 6.284 6.825 -10.699 1.00 . A A . 13 MET HE1 1 1 8 3159 1 1 13 MET HE2 H 6.199 8.475 -10.081 1.00 . A A . 13 MET HE2 1 1 8 3160 1 1 13 MET HE3 H 4.759 7.456 -10.078 1.00 . A A . 13 MET HE3 1 1 8 3161 1 1 13 MET HG2 H 4.808 5.074 -8.896 1.00 . A A . 13 MET HG2 1 1 8 3162 1 1 13 MET HG3 H 3.999 6.258 -7.870 1.00 . A A . 13 MET HG3 1 1 8 3163 1 1 13 MET N N 3.090 3.520 -6.921 1.00 . A A . 13 MET N 1 1 8 3164 1 1 13 MET O O 6.255 2.433 -5.577 1.00 . A A . 13 MET O 1 1 8 3165 1 1 13 MET SD S 6.254 6.874 -8.320 1.00 . A A . 13 MET SD 1 1 8 3166 1 1 14 LYS C C 4.735 1.809 -2.693 1.00 . A A . 14 LYS C 1 1 8 3167 1 1 14 LYS CA C 4.458 1.013 -3.970 1.00 . A A . 14 LYS CA 1 1 8 3168 1 1 14 LYS CB C 5.653 0.112 -4.334 1.00 . A A . 14 LYS CB 1 1 8 3169 1 1 14 LYS CD C 8.154 0.093 -4.612 1.00 . A A . 14 LYS CD 1 1 8 3170 1 1 14 LYS CE C 9.485 0.558 -4.044 1.00 . A A . 14 LYS CE 1 1 8 3171 1 1 14 LYS CG C 6.989 0.563 -3.756 1.00 . A A . 14 LYS CG 1 1 8 3172 1 1 14 LYS H H 3.175 2.028 -5.310 1.00 . A A . 14 LYS H 1 1 8 3173 1 1 14 LYS HA H 3.598 0.384 -3.792 1.00 . A A . 14 LYS HA 1 1 8 3174 1 1 14 LYS HB2 H 5.455 -0.886 -3.974 1.00 . A A . 14 LYS HB2 1 1 8 3175 1 1 14 LYS HB3 H 5.746 0.081 -5.410 1.00 . A A . 14 LYS HB3 1 1 8 3176 1 1 14 LYS HD2 H 8.148 -0.986 -4.649 1.00 . A A . 14 LYS HD2 1 1 8 3177 1 1 14 LYS HD3 H 8.039 0.490 -5.609 1.00 . A A . 14 LYS HD3 1 1 8 3178 1 1 14 LYS HE2 H 9.760 1.488 -4.521 1.00 . A A . 14 LYS HE2 1 1 8 3179 1 1 14 LYS HE3 H 9.373 0.719 -2.982 1.00 . A A . 14 LYS HE3 1 1 8 3180 1 1 14 LYS HG2 H 7.005 1.641 -3.704 1.00 . A A . 14 LYS HG2 1 1 8 3181 1 1 14 LYS HG3 H 7.094 0.153 -2.764 1.00 . A A . 14 LYS HG3 1 1 8 3182 1 1 14 LYS HZ1 H 10.908 -0.379 -5.253 1.00 . A A . 14 LYS HZ1 1 1 8 3183 1 1 14 LYS HZ2 H 10.208 -1.401 -4.102 1.00 . A A . 14 LYS HZ2 1 1 8 3184 1 1 14 LYS HZ3 H 11.362 -0.259 -3.627 1.00 . A A . 14 LYS HZ3 1 1 8 3185 1 1 14 LYS N N 4.119 1.900 -5.083 1.00 . A A . 14 LYS N 1 1 8 3186 1 1 14 LYS NZ N 10.566 -0.440 -4.272 1.00 . A A . 14 LYS NZ 1 1 8 3187 1 1 14 LYS O O 5.373 1.309 -1.766 1.00 . A A . 14 LYS O 1 1 8 3188 1 1 15 ASN C C 3.675 3.341 -0.280 1.00 . A A . 15 ASN C 1 1 8 3189 1 1 15 ASN CA C 4.430 3.897 -1.484 1.00 . A A . 15 ASN CA 1 1 8 3190 1 1 15 ASN CB C 3.953 5.316 -1.794 1.00 . A A . 15 ASN CB 1 1 8 3191 1 1 15 ASN CG C 2.600 5.342 -2.480 1.00 . A A . 15 ASN CG 1 1 8 3192 1 1 15 ASN H H 3.736 3.388 -3.407 1.00 . A A . 15 ASN H 1 1 8 3193 1 1 15 ASN HA H 5.485 3.922 -1.255 1.00 . A A . 15 ASN HA 1 1 8 3194 1 1 15 ASN HB2 H 3.875 5.866 -0.875 1.00 . A A . 15 ASN HB2 1 1 8 3195 1 1 15 ASN HB3 H 4.673 5.799 -2.439 1.00 . A A . 15 ASN HB3 1 1 8 3196 1 1 15 ASN HD21 H 3.326 6.503 -3.922 1.00 . A A . 15 ASN HD21 1 1 8 3197 1 1 15 ASN HD22 H 1.657 6.080 -4.067 1.00 . A A . 15 ASN HD22 1 1 8 3198 1 1 15 ASN N N 4.243 3.044 -2.646 1.00 . A A . 15 ASN N 1 1 8 3199 1 1 15 ASN ND2 N 2.520 6.046 -3.603 1.00 . A A . 15 ASN ND2 1 1 8 3200 1 1 15 ASN O O 2.622 3.853 0.097 1.00 . A A . 15 ASN O 1 1 8 3201 1 1 15 ASN OD1 O 1.639 4.736 -2.006 1.00 . A A . 15 ASN OD1 1 1 8 3202 1 1 16 VAL C C 3.250 2.665 2.551 1.00 . A A . 16 VAL C 1 1 8 3203 1 1 16 VAL CA C 3.603 1.647 1.473 1.00 . A A . 16 VAL CA 1 1 8 3204 1 1 16 VAL CB C 4.523 0.574 2.081 1.00 . A A . 16 VAL CB 1 1 8 3205 1 1 16 VAL CG1 C 3.785 -0.222 3.146 1.00 . A A . 16 VAL CG1 1 1 8 3206 1 1 16 VAL CG2 C 5.065 -0.345 0.997 1.00 . A A . 16 VAL CG2 1 1 8 3207 1 1 16 VAL H H 5.061 1.921 -0.039 1.00 . A A . 16 VAL H 1 1 8 3208 1 1 16 VAL HA H 2.698 1.164 1.141 1.00 . A A . 16 VAL HA 1 1 8 3209 1 1 16 VAL HB H 5.357 1.072 2.550 1.00 . A A . 16 VAL HB 1 1 8 3210 1 1 16 VAL HG11 H 2.748 -0.324 2.865 1.00 . A A . 16 VAL HG11 1 1 8 3211 1 1 16 VAL HG12 H 3.853 0.294 4.093 1.00 . A A . 16 VAL HG12 1 1 8 3212 1 1 16 VAL HG13 H 4.232 -1.202 3.237 1.00 . A A . 16 VAL HG13 1 1 8 3213 1 1 16 VAL HG21 H 6.018 0.027 0.652 1.00 . A A . 16 VAL HG21 1 1 8 3214 1 1 16 VAL HG22 H 4.370 -0.375 0.170 1.00 . A A . 16 VAL HG22 1 1 8 3215 1 1 16 VAL HG23 H 5.191 -1.340 1.398 1.00 . A A . 16 VAL HG23 1 1 8 3216 1 1 16 VAL N N 4.222 2.284 0.314 1.00 . A A . 16 VAL N 1 1 8 3217 1 1 16 VAL O O 2.252 2.513 3.256 1.00 . A A . 16 VAL O 1 1 8 3218 1 1 17 LEU C C 2.465 5.377 3.469 1.00 . A A . 17 LEU C 1 1 8 3219 1 1 17 LEU CA C 3.832 4.741 3.673 1.00 . A A . 17 LEU CA 1 1 8 3220 1 1 17 LEU CB C 4.925 5.809 3.599 1.00 . A A . 17 LEU CB 1 1 8 3221 1 1 17 LEU CD1 C 7.304 6.173 2.899 1.00 . A A . 17 LEU CD1 1 1 8 3222 1 1 17 LEU CD2 C 6.801 5.168 5.133 1.00 . A A . 17 LEU CD2 1 1 8 3223 1 1 17 LEU CG C 6.357 5.277 3.682 1.00 . A A . 17 LEU CG 1 1 8 3224 1 1 17 LEU H H 4.850 3.776 2.089 1.00 . A A . 17 LEU H 1 1 8 3225 1 1 17 LEU HA H 3.856 4.279 4.642 1.00 . A A . 17 LEU HA 1 1 8 3226 1 1 17 LEU HB2 H 4.814 6.343 2.667 1.00 . A A . 17 LEU HB2 1 1 8 3227 1 1 17 LEU HB3 H 4.775 6.502 4.411 1.00 . A A . 17 LEU HB3 1 1 8 3228 1 1 17 LEU HD11 H 8.289 6.126 3.338 1.00 . A A . 17 LEU HD11 1 1 8 3229 1 1 17 LEU HD12 H 6.944 7.190 2.928 1.00 . A A . 17 LEU HD12 1 1 8 3230 1 1 17 LEU HD13 H 7.351 5.837 1.873 1.00 . A A . 17 LEU HD13 1 1 8 3231 1 1 17 LEU HD21 H 6.285 5.910 5.724 1.00 . A A . 17 LEU HD21 1 1 8 3232 1 1 17 LEU HD22 H 7.866 5.333 5.197 1.00 . A A . 17 LEU HD22 1 1 8 3233 1 1 17 LEU HD23 H 6.566 4.183 5.508 1.00 . A A . 17 LEU HD23 1 1 8 3234 1 1 17 LEU HG H 6.393 4.290 3.245 1.00 . A A . 17 LEU HG 1 1 8 3235 1 1 17 LEU N N 4.070 3.705 2.678 1.00 . A A . 17 LEU N 1 1 8 3236 1 1 17 LEU O O 1.780 5.736 4.427 1.00 . A A . 17 LEU O 1 1 8 3237 1 1 18 ASN C C -0.340 5.083 2.127 1.00 . A A . 18 ASN C 1 1 8 3238 1 1 18 ASN CA C 0.782 6.077 1.860 1.00 . A A . 18 ASN CA 1 1 8 3239 1 1 18 ASN CB C 0.769 6.502 0.390 1.00 . A A . 18 ASN CB 1 1 8 3240 1 1 18 ASN CG C 0.016 7.799 0.170 1.00 . A A . 18 ASN CG 1 1 8 3241 1 1 18 ASN H H 2.666 5.182 1.501 1.00 . A A . 18 ASN H 1 1 8 3242 1 1 18 ASN HA H 0.629 6.944 2.479 1.00 . A A . 18 ASN HA 1 1 8 3243 1 1 18 ASN HB2 H 1.786 6.636 0.052 1.00 . A A . 18 ASN HB2 1 1 8 3244 1 1 18 ASN HB3 H 0.297 5.728 -0.198 1.00 . A A . 18 ASN HB3 1 1 8 3245 1 1 18 ASN HD21 H 1.707 8.835 0.321 1.00 . A A . 18 ASN HD21 1 1 8 3246 1 1 18 ASN HD22 H 0.279 9.765 0.037 1.00 . A A . 18 ASN HD22 1 1 8 3247 1 1 18 ASN N N 2.073 5.499 2.211 1.00 . A A . 18 ASN N 1 1 8 3248 1 1 18 ASN ND2 N 0.740 8.912 0.177 1.00 . A A . 18 ASN ND2 1 1 8 3249 1 1 18 ASN O O -1.429 5.458 2.562 1.00 . A A . 18 ASN O 1 1 8 3250 1 1 18 ASN OD1 O -1.203 7.801 -0.004 1.00 . A A . 18 ASN OD1 1 1 8 3251 1 1 19 HIS C C -1.159 2.407 3.554 1.00 . A A . 19 HIS C 1 1 8 3252 1 1 19 HIS CA C -1.042 2.755 2.071 1.00 . A A . 19 HIS CA 1 1 8 3253 1 1 19 HIS CB C -0.666 1.513 1.253 1.00 . A A . 19 HIS CB 1 1 8 3254 1 1 19 HIS CD2 C -0.798 -0.705 2.567 1.00 . A A . 19 HIS CD2 1 1 8 3255 1 1 19 HIS CE1 C -2.815 -1.265 1.979 1.00 . A A . 19 HIS CE1 1 1 8 3256 1 1 19 HIS CG C -1.301 0.242 1.738 1.00 . A A . 19 HIS CG 1 1 8 3257 1 1 19 HIS H H 0.825 3.583 1.519 1.00 . A A . 19 HIS H 1 1 8 3258 1 1 19 HIS HA H -1.995 3.123 1.729 1.00 . A A . 19 HIS HA 1 1 8 3259 1 1 19 HIS HB2 H -0.969 1.662 0.229 1.00 . A A . 19 HIS HB2 1 1 8 3260 1 1 19 HIS HB3 H 0.406 1.382 1.287 1.00 . A A . 19 HIS HB3 1 1 8 3261 1 1 19 HIS HD2 H 0.172 -0.704 3.035 1.00 . A A . 19 HIS HD2 1 1 8 3262 1 1 19 HIS HE1 H -3.752 -1.795 1.914 1.00 . A A . 19 HIS HE1 1 1 8 3263 1 1 19 HIS HE2 H -1.773 -2.375 3.386 1.00 . A A . 19 HIS HE2 1 1 8 3264 1 1 19 HIS N N -0.062 3.813 1.862 1.00 . A A . 19 HIS N 1 1 8 3265 1 1 19 HIS ND1 N -2.575 -0.122 1.371 1.00 . A A . 19 HIS ND1 1 1 8 3266 1 1 19 HIS NE2 N -1.768 -1.662 2.714 1.00 . A A . 19 HIS NE2 1 1 8 3267 1 1 19 HIS O O -2.169 1.861 3.992 1.00 . A A . 19 HIS O 1 1 8 3268 1 1 20 MET C C -0.748 3.587 6.549 1.00 . A A . 20 MET C 1 1 8 3269 1 1 20 MET CA C -0.131 2.440 5.753 1.00 . A A . 20 MET CA 1 1 8 3270 1 1 20 MET CB C 1.291 2.165 6.247 1.00 . A A . 20 MET CB 1 1 8 3271 1 1 20 MET CE C 2.986 -0.942 8.252 1.00 . A A . 20 MET CE 1 1 8 3272 1 1 20 MET CG C 1.363 1.111 7.340 1.00 . A A . 20 MET CG 1 1 8 3273 1 1 20 MET H H 0.657 3.161 3.924 1.00 . A A . 20 MET H 1 1 8 3274 1 1 20 MET HA H -0.731 1.557 5.906 1.00 . A A . 20 MET HA 1 1 8 3275 1 1 20 MET HB2 H 1.891 1.831 5.414 1.00 . A A . 20 MET HB2 1 1 8 3276 1 1 20 MET HB3 H 1.708 3.083 6.634 1.00 . A A . 20 MET HB3 1 1 8 3277 1 1 20 MET HE1 H 2.940 -1.489 7.321 1.00 . A A . 20 MET HE1 1 1 8 3278 1 1 20 MET HE2 H 2.109 -1.163 8.842 1.00 . A A . 20 MET HE2 1 1 8 3279 1 1 20 MET HE3 H 3.870 -1.234 8.798 1.00 . A A . 20 MET HE3 1 1 8 3280 1 1 20 MET HG2 H 0.768 1.440 8.179 1.00 . A A . 20 MET HG2 1 1 8 3281 1 1 20 MET HG3 H 0.959 0.186 6.956 1.00 . A A . 20 MET HG3 1 1 8 3282 1 1 20 MET N N -0.125 2.726 4.323 1.00 . A A . 20 MET N 1 1 8 3283 1 1 20 MET O O -0.568 3.677 7.764 1.00 . A A . 20 MET O 1 1 8 3284 1 1 20 MET SD S 3.048 0.815 7.909 1.00 . A A . 20 MET SD 1 1 8 3285 1 1 21 THR C C -3.648 5.516 6.356 1.00 . A A . 21 THR C 1 1 8 3286 1 1 21 THR CA C -2.125 5.590 6.509 1.00 . A A . 21 THR CA 1 1 8 3287 1 1 21 THR CB C -1.573 6.906 5.933 1.00 . A A . 21 THR CB 1 1 8 3288 1 1 21 THR CG2 C -2.634 7.933 5.586 1.00 . A A . 21 THR CG2 1 1 8 3289 1 1 21 THR H H -1.593 4.340 4.904 1.00 . A A . 21 THR H 1 1 8 3290 1 1 21 THR HA H -1.883 5.541 7.555 1.00 . A A . 21 THR HA 1 1 8 3291 1 1 21 THR HB H -1.022 6.684 5.029 1.00 . A A . 21 THR HB 1 1 8 3292 1 1 21 THR HG1 H -0.258 8.267 6.435 1.00 . A A . 21 THR HG1 1 1 8 3293 1 1 21 THR HG21 H -2.163 8.811 5.171 1.00 . A A . 21 THR HG21 1 1 8 3294 1 1 21 THR HG22 H -3.178 8.203 6.479 1.00 . A A . 21 THR HG22 1 1 8 3295 1 1 21 THR HG23 H -3.317 7.514 4.861 1.00 . A A . 21 THR HG23 1 1 8 3296 1 1 21 THR N N -1.481 4.460 5.863 1.00 . A A . 21 THR N 1 1 8 3297 1 1 21 THR O O -4.374 6.334 6.921 1.00 . A A . 21 THR O 1 1 8 3298 1 1 21 THR OG1 O -0.684 7.514 6.852 1.00 . A A . 21 THR OG1 1 1 8 3299 1 1 22 HIS C C -5.997 2.921 5.313 1.00 . A A . 22 HIS C 1 1 8 3300 1 1 22 HIS CA C -5.569 4.384 5.375 1.00 . A A . 22 HIS CA 1 1 8 3301 1 1 22 HIS CB C -5.997 5.089 4.085 1.00 . A A . 22 HIS CB 1 1 8 3302 1 1 22 HIS CD2 C -4.786 3.408 2.485 1.00 . A A . 22 HIS CD2 1 1 8 3303 1 1 22 HIS CE1 C -4.352 4.806 0.856 1.00 . A A . 22 HIS CE1 1 1 8 3304 1 1 22 HIS CG C -5.273 4.627 2.850 1.00 . A A . 22 HIS CG 1 1 8 3305 1 1 22 HIS H H -3.510 3.913 5.158 1.00 . A A . 22 HIS H 1 1 8 3306 1 1 22 HIS HA H -6.073 4.853 6.206 1.00 . A A . 22 HIS HA 1 1 8 3307 1 1 22 HIS HB2 H -7.051 4.921 3.928 1.00 . A A . 22 HIS HB2 1 1 8 3308 1 1 22 HIS HB3 H -5.823 6.150 4.193 1.00 . A A . 22 HIS HB3 1 1 8 3309 1 1 22 HIS HD1 H -5.203 6.429 1.762 1.00 . A A . 22 HIS HD1 1 1 8 3310 1 1 22 HIS HD2 H -4.847 2.486 3.049 1.00 . A A . 22 HIS HD2 1 1 8 3311 1 1 22 HIS HE1 H -4.016 5.212 -0.088 1.00 . A A . 22 HIS HE1 1 1 8 3312 1 1 22 HIS HE2 H -3.594 2.917 0.845 1.00 . A A . 22 HIS HE2 1 1 8 3313 1 1 22 HIS N N -4.131 4.537 5.589 1.00 . A A . 22 HIS N 1 1 8 3314 1 1 22 HIS ND1 N -4.981 5.476 1.804 1.00 . A A . 22 HIS ND1 1 1 8 3315 1 1 22 HIS NE2 N -4.217 3.553 1.245 1.00 . A A . 22 HIS NE2 1 1 8 3316 1 1 22 HIS O O -7.178 2.609 5.467 1.00 . A A . 22 HIS O 1 1 8 3317 1 1 23 CYS C C -4.841 -0.155 6.151 1.00 . A A . 23 CYS C 1 1 8 3318 1 1 23 CYS CA C -5.349 0.622 4.940 1.00 . A A . 23 CYS CA 1 1 8 3319 1 1 23 CYS CB C -4.701 0.105 3.665 1.00 . A A . 23 CYS CB 1 1 8 3320 1 1 23 CYS H H -4.132 2.322 4.914 1.00 . A A . 23 CYS H 1 1 8 3321 1 1 23 CYS HA H -6.419 0.506 4.865 1.00 . A A . 23 CYS HA 1 1 8 3322 1 1 23 CYS HB2 H -3.863 0.740 3.422 1.00 . A A . 23 CYS HB2 1 1 8 3323 1 1 23 CYS HB3 H -4.344 -0.891 3.833 1.00 . A A . 23 CYS HB3 1 1 8 3324 1 1 23 CYS N N -5.051 2.029 5.057 1.00 . A A . 23 CYS N 1 1 8 3325 1 1 23 CYS O O -4.024 0.346 6.924 1.00 . A A . 23 CYS O 1 1 8 3326 1 1 23 CYS SG S -5.802 0.085 2.210 1.00 . A A . 23 CYS SG 1 1 8 3327 1 1 24 GLN C C -3.589 -2.904 7.138 1.00 . A A . 24 GLN C 1 1 8 3328 1 1 24 GLN CA C -4.926 -2.227 7.425 1.00 . A A . 24 GLN CA 1 1 8 3329 1 1 24 GLN CB C -5.996 -3.283 7.705 1.00 . A A . 24 GLN CB 1 1 8 3330 1 1 24 GLN CD C -7.070 -5.433 6.926 1.00 . A A . 24 GLN CD 1 1 8 3331 1 1 24 GLN CG C -6.241 -4.225 6.537 1.00 . A A . 24 GLN CG 1 1 8 3332 1 1 24 GLN H H -5.978 -1.724 5.659 1.00 . A A . 24 GLN H 1 1 8 3333 1 1 24 GLN HA H -4.817 -1.598 8.296 1.00 . A A . 24 GLN HA 1 1 8 3334 1 1 24 GLN HB2 H -5.690 -3.873 8.557 1.00 . A A . 24 GLN HB2 1 1 8 3335 1 1 24 GLN HB3 H -6.925 -2.785 7.938 1.00 . A A . 24 GLN HB3 1 1 8 3336 1 1 24 GLN HE21 H -8.571 -4.801 5.785 1.00 . A A . 24 GLN HE21 1 1 8 3337 1 1 24 GLN HE22 H -8.841 -6.285 6.627 1.00 . A A . 24 GLN HE22 1 1 8 3338 1 1 24 GLN HG2 H -6.761 -3.686 5.759 1.00 . A A . 24 GLN HG2 1 1 8 3339 1 1 24 GLN HG3 H -5.287 -4.567 6.161 1.00 . A A . 24 GLN HG3 1 1 8 3340 1 1 24 GLN N N -5.330 -1.380 6.309 1.00 . A A . 24 GLN N 1 1 8 3341 1 1 24 GLN NE2 N -8.283 -5.515 6.392 1.00 . A A . 24 GLN NE2 1 1 8 3342 1 1 24 GLN O O -3.334 -3.346 6.018 1.00 . A A . 24 GLN O 1 1 8 3343 1 1 24 GLN OE1 O -6.626 -6.283 7.698 1.00 . A A . 24 GLN OE1 1 1 8 3344 1 1 25 ALA C C -0.717 -3.698 9.359 1.00 . A A . 25 ALA C 1 1 8 3345 1 1 25 ALA CA C -1.431 -3.606 8.015 1.00 . A A . 25 ALA CA 1 1 8 3346 1 1 25 ALA CB C -0.583 -2.830 7.017 1.00 . A A . 25 ALA CB 1 1 8 3347 1 1 25 ALA H H -3.001 -2.612 9.026 1.00 . A A . 25 ALA H 1 1 8 3348 1 1 25 ALA HA H -1.577 -4.604 7.627 1.00 . A A . 25 ALA HA 1 1 8 3349 1 1 25 ALA HB1 H -0.880 -1.792 7.024 1.00 . A A . 25 ALA HB1 1 1 8 3350 1 1 25 ALA HB2 H -0.727 -3.239 6.028 1.00 . A A . 25 ALA HB2 1 1 8 3351 1 1 25 ALA HB3 H 0.458 -2.909 7.292 1.00 . A A . 25 ALA HB3 1 1 8 3352 1 1 25 ALA N N -2.741 -2.982 8.157 1.00 . A A . 25 ALA N 1 1 8 3353 1 1 25 ALA O O -0.448 -2.683 10.001 1.00 . A A . 25 ALA O 1 1 8 3354 1 1 26 GLY C C 1.733 -5.460 10.868 1.00 . A A . 26 GLY C 1 1 8 3355 1 1 26 GLY CA C 0.266 -5.123 11.045 1.00 . A A . 26 GLY CA 1 1 8 3356 1 1 26 GLY H H -0.654 -5.694 9.225 1.00 . A A . 26 GLY H 1 1 8 3357 1 1 26 GLY HA2 H 0.183 -4.221 11.633 1.00 . A A . 26 GLY HA2 1 1 8 3358 1 1 26 GLY HA3 H -0.216 -5.932 11.575 1.00 . A A . 26 GLY HA3 1 1 8 3359 1 1 26 GLY N N -0.414 -4.922 9.779 1.00 . A A . 26 GLY N 1 1 8 3360 1 1 26 GLY O O 2.321 -6.159 11.694 1.00 . A A . 26 GLY O 1 1 8 3361 1 1 27 LYS C C 4.298 -4.156 8.563 1.00 . A A . 27 LYS C 1 1 8 3362 1 1 27 LYS CA C 3.734 -5.214 9.505 1.00 . A A . 27 LYS CA 1 1 8 3363 1 1 27 LYS CB C 3.912 -6.605 8.893 1.00 . A A . 27 LYS CB 1 1 8 3364 1 1 27 LYS CD C 5.036 -8.795 9.399 1.00 . A A . 27 LYS CD 1 1 8 3365 1 1 27 LYS CE C 5.338 -9.832 10.469 1.00 . A A . 27 LYS CE 1 1 8 3366 1 1 27 LYS CG C 4.121 -7.701 9.925 1.00 . A A . 27 LYS CG 1 1 8 3367 1 1 27 LYS H H 1.805 -4.412 9.167 1.00 . A A . 27 LYS H 1 1 8 3368 1 1 27 LYS HA H 4.273 -5.171 10.440 1.00 . A A . 27 LYS HA 1 1 8 3369 1 1 27 LYS HB2 H 3.032 -6.847 8.316 1.00 . A A . 27 LYS HB2 1 1 8 3370 1 1 27 LYS HB3 H 4.770 -6.590 8.237 1.00 . A A . 27 LYS HB3 1 1 8 3371 1 1 27 LYS HD2 H 4.555 -9.283 8.564 1.00 . A A . 27 LYS HD2 1 1 8 3372 1 1 27 LYS HD3 H 5.963 -8.348 9.071 1.00 . A A . 27 LYS HD3 1 1 8 3373 1 1 27 LYS HE2 H 5.204 -9.378 11.439 1.00 . A A . 27 LYS HE2 1 1 8 3374 1 1 27 LYS HE3 H 4.647 -10.655 10.358 1.00 . A A . 27 LYS HE3 1 1 8 3375 1 1 27 LYS HG2 H 4.564 -7.270 10.810 1.00 . A A . 27 LYS HG2 1 1 8 3376 1 1 27 LYS HG3 H 3.163 -8.135 10.174 1.00 . A A . 27 LYS HG3 1 1 8 3377 1 1 27 LYS HZ1 H 6.756 -11.358 10.616 1.00 . A A . 27 LYS HZ1 1 1 8 3378 1 1 27 LYS HZ2 H 7.355 -9.826 11.010 1.00 . A A . 27 LYS HZ2 1 1 8 3379 1 1 27 LYS HZ3 H 7.081 -10.236 9.392 1.00 . A A . 27 LYS HZ3 1 1 8 3380 1 1 27 LYS N N 2.326 -4.962 9.788 1.00 . A A . 27 LYS N 1 1 8 3381 1 1 27 LYS NZ N 6.730 -10.349 10.364 1.00 . A A . 27 LYS NZ 1 1 8 3382 1 1 27 LYS O O 5.290 -3.497 8.939 1.00 . A A . 27 LYS O 1 1 8 3383 1 1 27 LYS OXT O 3.743 -3.995 7.455 1.00 . A A . 27 LYS OXT 1 1 8 3384 2 2 1 ZN ZN ZN -4.329 0.070 0.435 1.00 . B A . 28 ZN ZN 1 1 9 3385 1 1 1 GLU C C 1.122 -2.756 1.301 1.00 . A A . 1 GLU C 1 1 9 3386 1 1 1 GLU CA C 2.068 -2.915 2.483 1.00 . A A . 1 GLU CA 1 1 9 3387 1 1 1 GLU CB C 3.026 -4.084 2.241 1.00 . A A . 1 GLU CB 1 1 9 3388 1 1 1 GLU CD C 5.148 -5.267 2.932 1.00 . A A . 1 GLU CD 1 1 9 3389 1 1 1 GLU CG C 4.251 -4.062 3.140 1.00 . A A . 1 GLU CG 1 1 9 3390 1 1 1 GLU H1 H 0.588 -3.877 3.540 1.00 . A A . 1 GLU H1 1 1 9 3391 1 1 1 GLU H2 H 0.896 -2.265 4.044 1.00 . A A . 1 GLU H2 1 1 9 3392 1 1 1 GLU H3 H 1.997 -3.519 4.449 1.00 . A A . 1 GLU H3 1 1 9 3393 1 1 1 GLU HA H 2.639 -2.005 2.596 1.00 . A A . 1 GLU HA 1 1 9 3394 1 1 1 GLU HB2 H 2.496 -5.010 2.413 1.00 . A A . 1 GLU HB2 1 1 9 3395 1 1 1 GLU HB3 H 3.358 -4.055 1.214 1.00 . A A . 1 GLU HB3 1 1 9 3396 1 1 1 GLU HG2 H 4.820 -3.169 2.930 1.00 . A A . 1 GLU HG2 1 1 9 3397 1 1 1 GLU HG3 H 3.926 -4.047 4.170 1.00 . A A . 1 GLU HG3 1 1 9 3398 1 1 1 GLU N N 1.320 -3.167 3.742 1.00 . A A . 1 GLU N 1 1 9 3399 1 1 1 GLU O O 0.172 -3.522 1.141 1.00 . A A . 1 GLU O 1 1 9 3400 1 1 1 GLU OE1 O 4.660 -6.405 3.095 1.00 . A A . 1 GLU OE1 1 1 9 3401 1 1 1 GLU OE2 O 6.338 -5.072 2.605 1.00 . A A . 1 GLU OE2 1 1 9 3402 1 1 2 VAL C C 0.602 -2.640 -1.676 1.00 . A A . 2 VAL C 1 1 9 3403 1 1 2 VAL CA C 0.571 -1.475 -0.691 1.00 . A A . 2 VAL CA 1 1 9 3404 1 1 2 VAL CB C 1.039 -0.190 -1.400 1.00 . A A . 2 VAL CB 1 1 9 3405 1 1 2 VAL CG1 C 2.398 -0.394 -2.056 1.00 . A A . 2 VAL CG1 1 1 9 3406 1 1 2 VAL CG2 C 0.007 0.267 -2.420 1.00 . A A . 2 VAL CG2 1 1 9 3407 1 1 2 VAL H H 2.163 -1.176 0.665 1.00 . A A . 2 VAL H 1 1 9 3408 1 1 2 VAL HA H -0.445 -1.327 -0.357 1.00 . A A . 2 VAL HA 1 1 9 3409 1 1 2 VAL HB H 1.143 0.584 -0.653 1.00 . A A . 2 VAL HB 1 1 9 3410 1 1 2 VAL HG11 H 3.020 -1.001 -1.415 1.00 . A A . 2 VAL HG11 1 1 9 3411 1 1 2 VAL HG12 H 2.869 0.564 -2.213 1.00 . A A . 2 VAL HG12 1 1 9 3412 1 1 2 VAL HG13 H 2.267 -0.891 -3.006 1.00 . A A . 2 VAL HG13 1 1 9 3413 1 1 2 VAL HG21 H 0.361 0.045 -3.416 1.00 . A A . 2 VAL HG21 1 1 9 3414 1 1 2 VAL HG22 H -0.149 1.332 -2.323 1.00 . A A . 2 VAL HG22 1 1 9 3415 1 1 2 VAL HG23 H -0.926 -0.249 -2.245 1.00 . A A . 2 VAL HG23 1 1 9 3416 1 1 2 VAL N N 1.391 -1.751 0.478 1.00 . A A . 2 VAL N 1 1 9 3417 1 1 2 VAL O O -0.412 -2.977 -2.288 1.00 . A A . 2 VAL O 1 1 9 3418 1 1 3 ARG C C 0.990 -5.520 -2.364 1.00 . A A . 3 ARG C 1 1 9 3419 1 1 3 ARG CA C 1.937 -4.381 -2.731 1.00 . A A . 3 ARG CA 1 1 9 3420 1 1 3 ARG CB C 3.384 -4.877 -2.704 1.00 . A A . 3 ARG CB 1 1 9 3421 1 1 3 ARG CD C 3.662 -6.855 -4.230 1.00 . A A . 3 ARG CD 1 1 9 3422 1 1 3 ARG CG C 3.886 -5.361 -4.054 1.00 . A A . 3 ARG CG 1 1 9 3423 1 1 3 ARG CZ C 5.951 -7.701 -3.890 1.00 . A A . 3 ARG CZ 1 1 9 3424 1 1 3 ARG H H 2.544 -2.939 -1.306 1.00 . A A . 3 ARG H 1 1 9 3425 1 1 3 ARG HA H 1.702 -4.040 -3.728 1.00 . A A . 3 ARG HA 1 1 9 3426 1 1 3 ARG HB2 H 4.023 -4.072 -2.374 1.00 . A A . 3 ARG HB2 1 1 9 3427 1 1 3 ARG HB3 H 3.459 -5.695 -2.002 1.00 . A A . 3 ARG HB3 1 1 9 3428 1 1 3 ARG HD2 H 2.687 -7.107 -3.840 1.00 . A A . 3 ARG HD2 1 1 9 3429 1 1 3 ARG HD3 H 3.700 -7.090 -5.283 1.00 . A A . 3 ARG HD3 1 1 9 3430 1 1 3 ARG HE H 4.379 -8.163 -2.750 1.00 . A A . 3 ARG HE 1 1 9 3431 1 1 3 ARG HG2 H 3.357 -4.834 -4.834 1.00 . A A . 3 ARG HG2 1 1 9 3432 1 1 3 ARG HG3 H 4.943 -5.154 -4.130 1.00 . A A . 3 ARG HG3 1 1 9 3433 1 1 3 ARG HH11 H 5.745 -6.450 -5.467 1.00 . A A . 3 ARG HH11 1 1 9 3434 1 1 3 ARG HH12 H 7.345 -7.059 -5.206 1.00 . A A . 3 ARG HH12 1 1 9 3435 1 1 3 ARG HH21 H 6.483 -8.965 -2.406 1.00 . A A . 3 ARG HH21 1 1 9 3436 1 1 3 ARG HH22 H 7.764 -8.487 -3.469 1.00 . A A . 3 ARG HH22 1 1 9 3437 1 1 3 ARG N N 1.773 -3.253 -1.822 1.00 . A A . 3 ARG N 1 1 9 3438 1 1 3 ARG NE N 4.671 -7.646 -3.530 1.00 . A A . 3 ARG NE 1 1 9 3439 1 1 3 ARG NH1 N 6.382 -7.014 -4.941 1.00 . A A . 3 ARG NH1 1 1 9 3440 1 1 3 ARG NH2 N 6.802 -8.446 -3.198 1.00 . A A . 3 ARG NH2 1 1 9 3441 1 1 3 ARG O O 0.594 -6.310 -3.220 1.00 . A A . 3 ARG O 1 1 9 3442 1 1 4 ALA C C -1.709 -6.141 -0.509 1.00 . A A . 4 ALA C 1 1 9 3443 1 1 4 ALA CA C -0.269 -6.642 -0.610 1.00 . A A . 4 ALA CA 1 1 9 3444 1 1 4 ALA CB C 0.202 -7.169 0.737 1.00 . A A . 4 ALA CB 1 1 9 3445 1 1 4 ALA H H 0.979 -4.940 -0.449 1.00 . A A . 4 ALA H 1 1 9 3446 1 1 4 ALA HA H -0.235 -7.455 -1.318 1.00 . A A . 4 ALA HA 1 1 9 3447 1 1 4 ALA HB1 H 0.923 -7.958 0.582 1.00 . A A . 4 ALA HB1 1 1 9 3448 1 1 4 ALA HB2 H -0.642 -7.556 1.288 1.00 . A A . 4 ALA HB2 1 1 9 3449 1 1 4 ALA HB3 H 0.661 -6.367 1.297 1.00 . A A . 4 ALA HB3 1 1 9 3450 1 1 4 ALA N N 0.631 -5.598 -1.086 1.00 . A A . 4 ALA N 1 1 9 3451 1 1 4 ALA O O -2.599 -6.875 -0.081 1.00 . A A . 4 ALA O 1 1 9 3452 1 1 5 CYS C C -4.142 -4.856 -1.985 1.00 . A A . 5 CYS C 1 1 9 3453 1 1 5 CYS CA C -3.270 -4.309 -0.860 1.00 . A A . 5 CYS CA 1 1 9 3454 1 1 5 CYS CB C -3.198 -2.788 -0.969 1.00 . A A . 5 CYS CB 1 1 9 3455 1 1 5 CYS H H -1.192 -4.353 -1.242 1.00 . A A . 5 CYS H 1 1 9 3456 1 1 5 CYS HA H -3.713 -4.569 0.090 1.00 . A A . 5 CYS HA 1 1 9 3457 1 1 5 CYS HB2 H -2.410 -2.424 -0.333 1.00 . A A . 5 CYS HB2 1 1 9 3458 1 1 5 CYS HB3 H -2.985 -2.516 -1.992 1.00 . A A . 5 CYS HB3 1 1 9 3459 1 1 5 CYS N N -1.936 -4.892 -0.907 1.00 . A A . 5 CYS N 1 1 9 3460 1 1 5 CYS O O -3.636 -5.382 -2.976 1.00 . A A . 5 CYS O 1 1 9 3461 1 1 5 CYS SG S -4.737 -1.948 -0.481 1.00 . A A . 5 CYS SG 1 1 9 3462 1 1 6 SER C C -7.131 -4.018 -3.488 1.00 . A A . 6 SER C 1 1 9 3463 1 1 6 SER CA C -6.394 -5.189 -2.839 1.00 . A A . 6 SER CA 1 1 9 3464 1 1 6 SER CB C -7.402 -6.157 -2.215 1.00 . A A . 6 SER CB 1 1 9 3465 1 1 6 SER H H -5.798 -4.286 -1.022 1.00 . A A . 6 SER H 1 1 9 3466 1 1 6 SER HA H -5.832 -5.710 -3.599 1.00 . A A . 6 SER HA 1 1 9 3467 1 1 6 SER HB2 H -8.033 -5.619 -1.523 1.00 . A A . 6 SER HB2 1 1 9 3468 1 1 6 SER HB3 H -8.011 -6.591 -2.994 1.00 . A A . 6 SER HB3 1 1 9 3469 1 1 6 SER HG H -7.232 -7.407 -0.716 1.00 . A A . 6 SER HG 1 1 9 3470 1 1 6 SER N N -5.454 -4.719 -1.830 1.00 . A A . 6 SER N 1 1 9 3471 1 1 6 SER O O -8.157 -4.207 -4.141 1.00 . A A . 6 SER O 1 1 9 3472 1 1 6 SER OG O -6.743 -7.198 -1.516 1.00 . A A . 6 SER OG 1 1 9 3473 1 1 7 LEU C C -6.430 -1.108 -5.080 1.00 . A A . 7 LEU C 1 1 9 3474 1 1 7 LEU CA C -7.222 -1.614 -3.876 1.00 . A A . 7 LEU CA 1 1 9 3475 1 1 7 LEU CB C -7.322 -0.509 -2.822 1.00 . A A . 7 LEU CB 1 1 9 3476 1 1 7 LEU CD1 C -7.460 -0.319 -0.320 1.00 . A A . 7 LEU CD1 1 1 9 3477 1 1 7 LEU CD2 C -9.554 -0.360 -1.691 1.00 . A A . 7 LEU CD2 1 1 9 3478 1 1 7 LEU CG C -8.127 -0.874 -1.572 1.00 . A A . 7 LEU CG 1 1 9 3479 1 1 7 LEU H H -5.784 -2.712 -2.775 1.00 . A A . 7 LEU H 1 1 9 3480 1 1 7 LEU HA H -8.217 -1.881 -4.199 1.00 . A A . 7 LEU HA 1 1 9 3481 1 1 7 LEU HB2 H -6.321 -0.240 -2.518 1.00 . A A . 7 LEU HB2 1 1 9 3482 1 1 7 LEU HB3 H -7.783 0.352 -3.280 1.00 . A A . 7 LEU HB3 1 1 9 3483 1 1 7 LEU HD11 H -7.346 -1.110 0.407 1.00 . A A . 7 LEU HD11 1 1 9 3484 1 1 7 LEU HD12 H -8.072 0.467 0.097 1.00 . A A . 7 LEU HD12 1 1 9 3485 1 1 7 LEU HD13 H -6.489 0.078 -0.574 1.00 . A A . 7 LEU HD13 1 1 9 3486 1 1 7 LEU HD21 H -10.165 -0.811 -0.923 1.00 . A A . 7 LEU HD21 1 1 9 3487 1 1 7 LEU HD22 H -9.949 -0.616 -2.663 1.00 . A A . 7 LEU HD22 1 1 9 3488 1 1 7 LEU HD23 H -9.560 0.714 -1.571 1.00 . A A . 7 LEU HD23 1 1 9 3489 1 1 7 LEU HG H -8.166 -1.950 -1.479 1.00 . A A . 7 LEU HG 1 1 9 3490 1 1 7 LEU N N -6.605 -2.806 -3.305 1.00 . A A . 7 LEU N 1 1 9 3491 1 1 7 LEU O O -5.201 -1.171 -5.096 1.00 . A A . 7 LEU O 1 1 9 3492 1 1 8 PRO C C -5.977 1.361 -7.135 1.00 . A A . 8 PRO C 1 1 9 3493 1 1 8 PRO CA C -6.486 -0.069 -7.314 1.00 . A A . 8 PRO CA 1 1 9 3494 1 1 8 PRO CB C -7.617 -0.108 -8.338 1.00 . A A . 8 PRO CB 1 1 9 3495 1 1 8 PRO CD C -8.599 -0.473 -6.174 1.00 . A A . 8 PRO CD 1 1 9 3496 1 1 8 PRO CG C -8.852 0.125 -7.537 1.00 . A A . 8 PRO CG 1 1 9 3497 1 1 8 PRO HA H -5.676 -0.703 -7.641 1.00 . A A . 8 PRO HA 1 1 9 3498 1 1 8 PRO HB2 H -7.468 0.669 -9.074 1.00 . A A . 8 PRO HB2 1 1 9 3499 1 1 8 PRO HB3 H -7.637 -1.073 -8.822 1.00 . A A . 8 PRO HB3 1 1 9 3500 1 1 8 PRO HD2 H -8.966 0.185 -5.401 1.00 . A A . 8 PRO HD2 1 1 9 3501 1 1 8 PRO HD3 H -9.066 -1.443 -6.097 1.00 . A A . 8 PRO HD3 1 1 9 3502 1 1 8 PRO HG2 H -9.038 1.186 -7.450 1.00 . A A . 8 PRO HG2 1 1 9 3503 1 1 8 PRO HG3 H -9.692 -0.364 -8.008 1.00 . A A . 8 PRO HG3 1 1 9 3504 1 1 8 PRO N N -7.128 -0.591 -6.108 1.00 . A A . 8 PRO N 1 1 9 3505 1 1 8 PRO O O -5.447 1.961 -8.070 1.00 . A A . 8 PRO O 1 1 9 3506 1 1 9 HIS C C -4.288 3.258 -5.064 1.00 . A A . 9 HIS C 1 1 9 3507 1 1 9 HIS CA C -5.700 3.261 -5.633 1.00 . A A . 9 HIS CA 1 1 9 3508 1 1 9 HIS CB C -6.649 3.921 -4.632 1.00 . A A . 9 HIS CB 1 1 9 3509 1 1 9 HIS CD2 C -5.376 6.051 -3.886 1.00 . A A . 9 HIS CD2 1 1 9 3510 1 1 9 HIS CE1 C -6.802 7.550 -4.610 1.00 . A A . 9 HIS CE1 1 1 9 3511 1 1 9 HIS CG C -6.407 5.387 -4.460 1.00 . A A . 9 HIS CG 1 1 9 3512 1 1 9 HIS H H -6.571 1.378 -5.224 1.00 . A A . 9 HIS H 1 1 9 3513 1 1 9 HIS HA H -5.708 3.825 -6.553 1.00 . A A . 9 HIS HA 1 1 9 3514 1 1 9 HIS HB2 H -7.666 3.786 -4.966 1.00 . A A . 9 HIS HB2 1 1 9 3515 1 1 9 HIS HB3 H -6.525 3.449 -3.666 1.00 . A A . 9 HIS HB3 1 1 9 3516 1 1 9 HIS HD1 H -8.133 6.190 -5.365 1.00 . A A . 9 HIS HD1 1 1 9 3517 1 1 9 HIS HD2 H -4.502 5.606 -3.429 1.00 . A A . 9 HIS HD2 1 1 9 3518 1 1 9 HIS HE1 H -7.275 8.494 -4.836 1.00 . A A . 9 HIS HE1 1 1 9 3519 1 1 9 HIS HE2 H -5.036 8.118 -3.743 1.00 . A A . 9 HIS HE2 1 1 9 3520 1 1 9 HIS N N -6.142 1.903 -5.931 1.00 . A A . 9 HIS N 1 1 9 3521 1 1 9 HIS ND1 N -7.284 6.354 -4.903 1.00 . A A . 9 HIS ND1 1 1 9 3522 1 1 9 HIS NE2 N -5.646 7.393 -3.992 1.00 . A A . 9 HIS NE2 1 1 9 3523 1 1 9 HIS O O -3.439 4.054 -5.467 1.00 . A A . 9 HIS O 1 1 9 3524 1 1 10 CYS C C -1.707 1.705 -4.445 1.00 . A A . 10 CYS C 1 1 9 3525 1 1 10 CYS CA C -2.749 2.248 -3.474 1.00 . A A . 10 CYS CA 1 1 9 3526 1 1 10 CYS CB C -2.845 1.342 -2.245 1.00 . A A . 10 CYS CB 1 1 9 3527 1 1 10 CYS H H -4.774 1.760 -3.841 1.00 . A A . 10 CYS H 1 1 9 3528 1 1 10 CYS HA H -2.449 3.236 -3.159 1.00 . A A . 10 CYS HA 1 1 9 3529 1 1 10 CYS HB2 H -2.819 0.312 -2.566 1.00 . A A . 10 CYS HB2 1 1 9 3530 1 1 10 CYS HB3 H -2.001 1.534 -1.599 1.00 . A A . 10 CYS HB3 1 1 9 3531 1 1 10 CYS N N -4.051 2.361 -4.118 1.00 . A A . 10 CYS N 1 1 9 3532 1 1 10 CYS O O -0.539 2.092 -4.398 1.00 . A A . 10 CYS O 1 1 9 3533 1 1 10 CYS SG S -4.363 1.575 -1.261 1.00 . A A . 10 CYS SG 1 1 9 3534 1 1 11 ARG C C -0.843 1.251 -7.366 1.00 . A A . 11 ARG C 1 1 9 3535 1 1 11 ARG CA C -1.236 0.220 -6.313 1.00 . A A . 11 ARG CA 1 1 9 3536 1 1 11 ARG CB C -1.897 -0.989 -6.980 1.00 . A A . 11 ARG CB 1 1 9 3537 1 1 11 ARG CD C -0.042 -2.641 -6.585 1.00 . A A . 11 ARG CD 1 1 9 3538 1 1 11 ARG CG C -1.510 -2.318 -6.353 1.00 . A A . 11 ARG CG 1 1 9 3539 1 1 11 ARG CZ C 0.428 -2.631 -9.008 1.00 . A A . 11 ARG CZ 1 1 9 3540 1 1 11 ARG H H -3.079 0.542 -5.321 1.00 . A A . 11 ARG H 1 1 9 3541 1 1 11 ARG HA H -0.347 -0.106 -5.795 1.00 . A A . 11 ARG HA 1 1 9 3542 1 1 11 ARG HB2 H -2.969 -0.881 -6.911 1.00 . A A . 11 ARG HB2 1 1 9 3543 1 1 11 ARG HB3 H -1.614 -1.011 -8.022 1.00 . A A . 11 ARG HB3 1 1 9 3544 1 1 11 ARG HD2 H 0.527 -1.725 -6.548 1.00 . A A . 11 ARG HD2 1 1 9 3545 1 1 11 ARG HD3 H 0.294 -3.303 -5.800 1.00 . A A . 11 ARG HD3 1 1 9 3546 1 1 11 ARG HE H 0.140 -4.268 -7.903 1.00 . A A . 11 ARG HE 1 1 9 3547 1 1 11 ARG HG2 H -1.693 -2.269 -5.290 1.00 . A A . 11 ARG HG2 1 1 9 3548 1 1 11 ARG HG3 H -2.115 -3.100 -6.788 1.00 . A A . 11 ARG HG3 1 1 9 3549 1 1 11 ARG HH11 H 0.346 -0.790 -8.174 1.00 . A A . 11 ARG HH11 1 1 9 3550 1 1 11 ARG HH12 H 0.676 -0.821 -9.873 1.00 . A A . 11 ARG HH12 1 1 9 3551 1 1 11 ARG HH21 H 0.574 -4.303 -10.134 1.00 . A A . 11 ARG HH21 1 1 9 3552 1 1 11 ARG HH22 H 0.805 -2.812 -10.985 1.00 . A A . 11 ARG HH22 1 1 9 3553 1 1 11 ARG N N -2.136 0.810 -5.329 1.00 . A A . 11 ARG N 1 1 9 3554 1 1 11 ARG NE N 0.179 -3.289 -7.876 1.00 . A A . 11 ARG NE 1 1 9 3555 1 1 11 ARG NH1 N 0.488 -1.305 -9.018 1.00 . A A . 11 ARG NH1 1 1 9 3556 1 1 11 ARG NH2 N 0.618 -3.304 -10.135 1.00 . A A . 11 ARG NH2 1 1 9 3557 1 1 11 ARG O O -1.457 1.333 -8.429 1.00 . A A . 11 ARG O 1 1 9 3558 1 1 12 THR C C 2.173 3.008 -8.133 1.00 . A A . 12 THR C 1 1 9 3559 1 1 12 THR CA C 0.655 3.070 -7.975 1.00 . A A . 12 THR CA 1 1 9 3560 1 1 12 THR CB C 0.232 4.452 -7.472 1.00 . A A . 12 THR CB 1 1 9 3561 1 1 12 THR CG2 C 0.722 5.588 -8.346 1.00 . A A . 12 THR CG2 1 1 9 3562 1 1 12 THR H H 0.628 1.928 -6.193 1.00 . A A . 12 THR H 1 1 9 3563 1 1 12 THR HA H 0.198 2.893 -8.937 1.00 . A A . 12 THR HA 1 1 9 3564 1 1 12 THR HB H 0.636 4.599 -6.480 1.00 . A A . 12 THR HB 1 1 9 3565 1 1 12 THR HG1 H -1.563 4.303 -8.242 1.00 . A A . 12 THR HG1 1 1 9 3566 1 1 12 THR HG21 H 1.323 5.190 -9.150 1.00 . A A . 12 THR HG21 1 1 9 3567 1 1 12 THR HG22 H 1.317 6.267 -7.753 1.00 . A A . 12 THR HG22 1 1 9 3568 1 1 12 THR HG23 H -0.125 6.117 -8.757 1.00 . A A . 12 THR HG23 1 1 9 3569 1 1 12 THR N N 0.182 2.040 -7.059 1.00 . A A . 12 THR N 1 1 9 3570 1 1 12 THR O O 2.683 2.432 -9.095 1.00 . A A . 12 THR O 1 1 9 3571 1 1 12 THR OG1 O -1.179 4.547 -7.396 1.00 . A A . 12 THR OG1 1 1 9 3572 1 1 13 MET C C 4.931 2.763 -6.088 1.00 . A A . 13 MET C 1 1 9 3573 1 1 13 MET CA C 4.349 3.610 -7.219 1.00 . A A . 13 MET CA 1 1 9 3574 1 1 13 MET CB C 4.873 5.043 -7.118 1.00 . A A . 13 MET CB 1 1 9 3575 1 1 13 MET CE C 7.507 6.322 -8.544 1.00 . A A . 13 MET CE 1 1 9 3576 1 1 13 MET CG C 4.785 5.816 -8.424 1.00 . A A . 13 MET CG 1 1 9 3577 1 1 13 MET H H 2.432 4.043 -6.440 1.00 . A A . 13 MET H 1 1 9 3578 1 1 13 MET HA H 4.659 3.189 -8.163 1.00 . A A . 13 MET HA 1 1 9 3579 1 1 13 MET HB2 H 4.299 5.573 -6.372 1.00 . A A . 13 MET HB2 1 1 9 3580 1 1 13 MET HB3 H 5.908 5.015 -6.810 1.00 . A A . 13 MET HB3 1 1 9 3581 1 1 13 MET HE1 H 7.903 7.159 -9.099 1.00 . A A . 13 MET HE1 1 1 9 3582 1 1 13 MET HE2 H 8.297 5.609 -8.355 1.00 . A A . 13 MET HE2 1 1 9 3583 1 1 13 MET HE3 H 7.105 6.671 -7.604 1.00 . A A . 13 MET HE3 1 1 9 3584 1 1 13 MET HG2 H 3.893 5.510 -8.949 1.00 . A A . 13 MET HG2 1 1 9 3585 1 1 13 MET HG3 H 4.724 6.871 -8.199 1.00 . A A . 13 MET HG3 1 1 9 3586 1 1 13 MET N N 2.892 3.602 -7.184 1.00 . A A . 13 MET N 1 1 9 3587 1 1 13 MET O O 6.144 2.740 -5.888 1.00 . A A . 13 MET O 1 1 9 3588 1 1 13 MET SD S 6.209 5.536 -9.494 1.00 . A A . 13 MET SD 1 1 9 3589 1 1 14 LYS C C 4.709 2.037 -2.973 1.00 . A A . 14 LYS C 1 1 9 3590 1 1 14 LYS CA C 4.469 1.216 -4.241 1.00 . A A . 14 LYS CA 1 1 9 3591 1 1 14 LYS CB C 5.719 0.396 -4.616 1.00 . A A . 14 LYS CB 1 1 9 3592 1 1 14 LYS CD C 8.208 0.557 -4.944 1.00 . A A . 14 LYS CD 1 1 9 3593 1 1 14 LYS CE C 9.472 0.359 -4.123 1.00 . A A . 14 LYS CE 1 1 9 3594 1 1 14 LYS CG C 7.029 0.945 -4.067 1.00 . A A . 14 LYS CG 1 1 9 3595 1 1 14 LYS H H 3.102 2.134 -5.568 1.00 . A A . 14 LYS H 1 1 9 3596 1 1 14 LYS HA H 3.657 0.530 -4.048 1.00 . A A . 14 LYS HA 1 1 9 3597 1 1 14 LYS HB2 H 5.596 -0.609 -4.243 1.00 . A A . 14 LYS HB2 1 1 9 3598 1 1 14 LYS HB3 H 5.796 0.359 -5.693 1.00 . A A . 14 LYS HB3 1 1 9 3599 1 1 14 LYS HD2 H 7.976 -0.365 -5.456 1.00 . A A . 14 LYS HD2 1 1 9 3600 1 1 14 LYS HD3 H 8.379 1.340 -5.668 1.00 . A A . 14 LYS HD3 1 1 9 3601 1 1 14 LYS HE2 H 10.026 1.286 -4.108 1.00 . A A . 14 LYS HE2 1 1 9 3602 1 1 14 LYS HE3 H 9.193 0.091 -3.114 1.00 . A A . 14 LYS HE3 1 1 9 3603 1 1 14 LYS HG2 H 6.968 2.021 -4.018 1.00 . A A . 14 LYS HG2 1 1 9 3604 1 1 14 LYS HG3 H 7.183 0.548 -3.075 1.00 . A A . 14 LYS HG3 1 1 9 3605 1 1 14 LYS HZ1 H 10.952 -0.323 -5.430 1.00 . A A . 14 LYS HZ1 1 1 9 3606 1 1 14 LYS HZ2 H 9.753 -1.468 -5.097 1.00 . A A . 14 LYS HZ2 1 1 9 3607 1 1 14 LYS HZ3 H 10.935 -1.121 -3.938 1.00 . A A . 14 LYS HZ3 1 1 9 3608 1 1 14 LYS N N 4.056 2.070 -5.355 1.00 . A A . 14 LYS N 1 1 9 3609 1 1 14 LYS NZ N 10.339 -0.713 -4.686 1.00 . A A . 14 LYS NZ 1 1 9 3610 1 1 14 LYS O O 5.404 1.597 -2.058 1.00 . A A . 14 LYS O 1 1 9 3611 1 1 15 ASN C C 3.583 3.492 -0.543 1.00 . A A . 15 ASN C 1 1 9 3612 1 1 15 ASN CA C 4.260 4.102 -1.767 1.00 . A A . 15 ASN CA 1 1 9 3613 1 1 15 ASN CB C 3.657 5.472 -2.073 1.00 . A A . 15 ASN CB 1 1 9 3614 1 1 15 ASN CG C 2.280 5.376 -2.702 1.00 . A A . 15 ASN CG 1 1 9 3615 1 1 15 ASN H H 3.570 3.527 -3.671 1.00 . A A . 15 ASN H 1 1 9 3616 1 1 15 ASN HA H 5.314 4.218 -1.563 1.00 . A A . 15 ASN HA 1 1 9 3617 1 1 15 ASN HB2 H 3.572 6.028 -1.158 1.00 . A A . 15 ASN HB2 1 1 9 3618 1 1 15 ASN HB3 H 4.307 6.002 -2.753 1.00 . A A . 15 ASN HB3 1 1 9 3619 1 1 15 ASN HD21 H 3.001 6.019 -4.439 1.00 . A A . 15 ASN HD21 1 1 9 3620 1 1 15 ASN HD22 H 1.309 5.671 -4.412 1.00 . A A . 15 ASN HD22 1 1 9 3621 1 1 15 ASN N N 4.119 3.229 -2.920 1.00 . A A . 15 ASN N 1 1 9 3622 1 1 15 ASN ND2 N 2.187 5.724 -3.980 1.00 . A A . 15 ASN ND2 1 1 9 3623 1 1 15 ASN O O 2.497 3.914 -0.145 1.00 . A A . 15 ASN O 1 1 9 3624 1 1 15 ASN OD1 O 1.310 4.993 -2.046 1.00 . A A . 15 ASN OD1 1 1 9 3625 1 1 16 VAL C C 3.273 2.804 2.299 1.00 . A A . 16 VAL C 1 1 9 3626 1 1 16 VAL CA C 3.698 1.811 1.221 1.00 . A A . 16 VAL CA 1 1 9 3627 1 1 16 VAL CB C 4.727 0.836 1.819 1.00 . A A . 16 VAL CB 1 1 9 3628 1 1 16 VAL CG1 C 4.094 -0.005 2.916 1.00 . A A . 16 VAL CG1 1 1 9 3629 1 1 16 VAL CG2 C 5.319 -0.049 0.732 1.00 . A A . 16 VAL CG2 1 1 9 3630 1 1 16 VAL H H 5.091 2.200 -0.325 1.00 . A A . 16 VAL H 1 1 9 3631 1 1 16 VAL HA H 2.836 1.242 0.912 1.00 . A A . 16 VAL HA 1 1 9 3632 1 1 16 VAL HB H 5.525 1.414 2.256 1.00 . A A . 16 VAL HB 1 1 9 3633 1 1 16 VAL HG11 H 3.026 -0.052 2.763 1.00 . A A . 16 VAL HG11 1 1 9 3634 1 1 16 VAL HG12 H 4.300 0.443 3.877 1.00 . A A . 16 VAL HG12 1 1 9 3635 1 1 16 VAL HG13 H 4.506 -1.003 2.889 1.00 . A A . 16 VAL HG13 1 1 9 3636 1 1 16 VAL HG21 H 5.584 -1.008 1.153 1.00 . A A . 16 VAL HG21 1 1 9 3637 1 1 16 VAL HG22 H 6.202 0.422 0.326 1.00 . A A . 16 VAL HG22 1 1 9 3638 1 1 16 VAL HG23 H 4.592 -0.189 -0.054 1.00 . A A . 16 VAL HG23 1 1 9 3639 1 1 16 VAL N N 4.232 2.492 0.045 1.00 . A A . 16 VAL N 1 1 9 3640 1 1 16 VAL O O 2.251 2.615 2.960 1.00 . A A . 16 VAL O 1 1 9 3641 1 1 17 LEU C C 2.395 5.501 3.217 1.00 . A A . 17 LEU C 1 1 9 3642 1 1 17 LEU CA C 3.759 4.876 3.475 1.00 . A A . 17 LEU CA 1 1 9 3643 1 1 17 LEU CB C 4.840 5.958 3.476 1.00 . A A . 17 LEU CB 1 1 9 3644 1 1 17 LEU CD1 C 7.033 4.841 3.000 1.00 . A A . 17 LEU CD1 1 1 9 3645 1 1 17 LEU CD2 C 6.922 6.725 4.642 1.00 . A A . 17 LEU CD2 1 1 9 3646 1 1 17 LEU CG C 6.186 5.527 4.061 1.00 . A A . 17 LEU CG 1 1 9 3647 1 1 17 LEU H H 4.862 3.959 1.920 1.00 . A A . 17 LEU H 1 1 9 3648 1 1 17 LEU HA H 3.740 4.396 4.435 1.00 . A A . 17 LEU HA 1 1 9 3649 1 1 17 LEU HB2 H 4.999 6.279 2.457 1.00 . A A . 17 LEU HB2 1 1 9 3650 1 1 17 LEU HB3 H 4.478 6.798 4.047 1.00 . A A . 17 LEU HB3 1 1 9 3651 1 1 17 LEU HD11 H 8.077 5.057 3.178 1.00 . A A . 17 LEU HD11 1 1 9 3652 1 1 17 LEU HD12 H 6.752 5.206 2.023 1.00 . A A . 17 LEU HD12 1 1 9 3653 1 1 17 LEU HD13 H 6.874 3.774 3.046 1.00 . A A . 17 LEU HD13 1 1 9 3654 1 1 17 LEU HD21 H 6.204 7.444 5.009 1.00 . A A . 17 LEU HD21 1 1 9 3655 1 1 17 LEU HD22 H 7.529 7.181 3.875 1.00 . A A . 17 LEU HD22 1 1 9 3656 1 1 17 LEU HD23 H 7.554 6.399 5.455 1.00 . A A . 17 LEU HD23 1 1 9 3657 1 1 17 LEU HG H 6.014 4.819 4.859 1.00 . A A . 17 LEU HG 1 1 9 3658 1 1 17 LEU N N 4.060 3.860 2.474 1.00 . A A . 17 LEU N 1 1 9 3659 1 1 17 LEU O O 1.666 5.842 4.149 1.00 . A A . 17 LEU O 1 1 9 3660 1 1 18 ASN C C -0.353 5.218 1.752 1.00 . A A . 18 ASN C 1 1 9 3661 1 1 18 ASN CA C 0.781 6.217 1.546 1.00 . A A . 18 ASN CA 1 1 9 3662 1 1 18 ASN CB C 0.830 6.659 0.082 1.00 . A A . 18 ASN CB 1 1 9 3663 1 1 18 ASN CG C 0.572 8.144 -0.084 1.00 . A A . 18 ASN CG 1 1 9 3664 1 1 18 ASN H H 2.685 5.342 1.257 1.00 . A A . 18 ASN H 1 1 9 3665 1 1 18 ASN HA H 0.599 7.079 2.168 1.00 . A A . 18 ASN HA 1 1 9 3666 1 1 18 ASN HB2 H 1.806 6.436 -0.322 1.00 . A A . 18 ASN HB2 1 1 9 3667 1 1 18 ASN HB3 H 0.083 6.117 -0.479 1.00 . A A . 18 ASN HB3 1 1 9 3668 1 1 18 ASN HD21 H -1.196 7.769 -0.912 1.00 . A A . 18 ASN HD21 1 1 9 3669 1 1 18 ASN HD22 H -0.777 9.438 -0.761 1.00 . A A . 18 ASN HD22 1 1 9 3670 1 1 18 ASN N N 2.059 5.641 1.945 1.00 . A A . 18 ASN N 1 1 9 3671 1 1 18 ASN ND2 N -0.584 8.485 -0.642 1.00 . A A . 18 ASN ND2 1 1 9 3672 1 1 18 ASN O O -1.492 5.601 2.021 1.00 . A A . 18 ASN O 1 1 9 3673 1 1 18 ASN OD1 O 1.401 8.975 0.286 1.00 . A A . 18 ASN OD1 1 1 9 3674 1 1 19 HIS C C -1.287 2.600 3.261 1.00 . A A . 19 HIS C 1 1 9 3675 1 1 19 HIS CA C -1.022 2.879 1.781 1.00 . A A . 19 HIS CA 1 1 9 3676 1 1 19 HIS CB C -0.558 1.605 1.059 1.00 . A A . 19 HIS CB 1 1 9 3677 1 1 19 HIS CD2 C -0.573 -0.573 2.447 1.00 . A A . 19 HIS CD2 1 1 9 3678 1 1 19 HIS CE1 C -2.603 -1.193 1.975 1.00 . A A . 19 HIS CE1 1 1 9 3679 1 1 19 HIS CG C -1.136 0.336 1.613 1.00 . A A . 19 HIS CG 1 1 9 3680 1 1 19 HIS H H 0.892 3.697 1.399 1.00 . A A . 19 HIS H 1 1 9 3681 1 1 19 HIS HA H -1.937 3.221 1.328 1.00 . A A . 19 HIS HA 1 1 9 3682 1 1 19 HIS HB2 H -0.840 1.668 0.020 1.00 . A A . 19 HIS HB2 1 1 9 3683 1 1 19 HIS HB3 H 0.518 1.537 1.128 1.00 . A A . 19 HIS HB3 1 1 9 3684 1 1 19 HIS HD2 H 0.418 -0.536 2.867 1.00 . A A . 19 HIS HD2 1 1 9 3685 1 1 19 HIS HE1 H -3.532 -1.741 1.977 1.00 . A A . 19 HIS HE1 1 1 9 3686 1 1 19 HIS HE2 H -1.470 -2.235 3.365 1.00 . A A . 19 HIS HE2 1 1 9 3687 1 1 19 HIS N N -0.032 3.936 1.618 1.00 . A A . 19 HIS N 1 1 9 3688 1 1 19 HIS ND1 N -2.417 -0.066 1.320 1.00 . A A . 19 HIS ND1 1 1 9 3689 1 1 19 HIS NE2 N -1.513 -1.544 2.671 1.00 . A A . 19 HIS NE2 1 1 9 3690 1 1 19 HIS O O -2.416 2.721 3.732 1.00 . A A . 19 HIS O 1 1 9 3691 1 1 20 MET C C -0.997 3.093 6.171 1.00 . A A . 20 MET C 1 1 9 3692 1 1 20 MET CA C -0.374 1.924 5.411 1.00 . A A . 20 MET CA 1 1 9 3693 1 1 20 MET CB C 0.992 1.582 6.010 1.00 . A A . 20 MET CB 1 1 9 3694 1 1 20 MET CE C 2.814 -2.114 6.684 1.00 . A A . 20 MET CE 1 1 9 3695 1 1 20 MET CG C 1.347 0.107 5.911 1.00 . A A . 20 MET CG 1 1 9 3696 1 1 20 MET H H 0.635 2.139 3.560 1.00 . A A . 20 MET H 1 1 9 3697 1 1 20 MET HA H -1.022 1.067 5.508 1.00 . A A . 20 MET HA 1 1 9 3698 1 1 20 MET HB2 H 1.751 2.148 5.491 1.00 . A A . 20 MET HB2 1 1 9 3699 1 1 20 MET HB3 H 0.995 1.862 7.053 1.00 . A A . 20 MET HB3 1 1 9 3700 1 1 20 MET HE1 H 1.944 -2.435 6.129 1.00 . A A . 20 MET HE1 1 1 9 3701 1 1 20 MET HE2 H 2.864 -2.652 7.618 1.00 . A A . 20 MET HE2 1 1 9 3702 1 1 20 MET HE3 H 3.704 -2.314 6.105 1.00 . A A . 20 MET HE3 1 1 9 3703 1 1 20 MET HG2 H 0.476 -0.477 6.168 1.00 . A A . 20 MET HG2 1 1 9 3704 1 1 20 MET HG3 H 1.638 -0.112 4.894 1.00 . A A . 20 MET HG3 1 1 9 3705 1 1 20 MET N N -0.242 2.222 3.988 1.00 . A A . 20 MET N 1 1 9 3706 1 1 20 MET O O -1.557 2.913 7.252 1.00 . A A . 20 MET O 1 1 9 3707 1 1 20 MET SD S 2.698 -0.357 7.012 1.00 . A A . 20 MET SD 1 1 9 3708 1 1 21 THR C C -2.972 5.464 6.223 1.00 . A A . 21 THR C 1 1 9 3709 1 1 21 THR CA C -1.441 5.484 6.235 1.00 . A A . 21 THR CA 1 1 9 3710 1 1 21 THR CB C -0.903 6.741 5.532 1.00 . A A . 21 THR CB 1 1 9 3711 1 1 21 THR CG2 C -1.961 7.784 5.220 1.00 . A A . 21 THR CG2 1 1 9 3712 1 1 21 THR H H -0.430 4.376 4.747 1.00 . A A . 21 THR H 1 1 9 3713 1 1 21 THR HA H -1.107 5.491 7.260 1.00 . A A . 21 THR HA 1 1 9 3714 1 1 21 THR HB H -0.446 6.447 4.598 1.00 . A A . 21 THR HB 1 1 9 3715 1 1 21 THR HG1 H 0.810 6.760 6.479 1.00 . A A . 21 THR HG1 1 1 9 3716 1 1 21 THR HG21 H -2.445 8.090 6.135 1.00 . A A . 21 THR HG21 1 1 9 3717 1 1 21 THR HG22 H -2.694 7.362 4.548 1.00 . A A . 21 THR HG22 1 1 9 3718 1 1 21 THR HG23 H -1.496 8.640 4.754 1.00 . A A . 21 THR HG23 1 1 9 3719 1 1 21 THR N N -0.891 4.291 5.605 1.00 . A A . 21 THR N 1 1 9 3720 1 1 21 THR O O -3.612 6.180 6.992 1.00 . A A . 21 THR O 1 1 9 3721 1 1 21 THR OG1 O 0.085 7.370 6.328 1.00 . A A . 21 THR OG1 1 1 9 3722 1 1 22 HIS C C -5.504 3.122 5.207 1.00 . A A . 22 HIS C 1 1 9 3723 1 1 22 HIS CA C -5.012 4.564 5.245 1.00 . A A . 22 HIS CA 1 1 9 3724 1 1 22 HIS CB C -5.504 5.295 3.994 1.00 . A A . 22 HIS CB 1 1 9 3725 1 1 22 HIS CD2 C -4.581 3.484 2.348 1.00 . A A . 22 HIS CD2 1 1 9 3726 1 1 22 HIS CE1 C -4.301 4.776 0.603 1.00 . A A . 22 HIS CE1 1 1 9 3727 1 1 22 HIS CG C -4.969 4.740 2.703 1.00 . A A . 22 HIS CG 1 1 9 3728 1 1 22 HIS H H -2.998 4.107 4.749 1.00 . A A . 22 HIS H 1 1 9 3729 1 1 22 HIS HA H -5.430 5.049 6.114 1.00 . A A . 22 HIS HA 1 1 9 3730 1 1 22 HIS HB2 H -6.581 5.237 3.955 1.00 . A A . 22 HIS HB2 1 1 9 3731 1 1 22 HIS HB3 H -5.209 6.333 4.056 1.00 . A A . 22 HIS HB3 1 1 9 3732 1 1 22 HIS HD1 H -4.967 6.480 1.516 1.00 . A A . 22 HIS HD1 1 1 9 3733 1 1 22 HIS HD2 H -4.598 2.595 2.970 1.00 . A A . 22 HIS HD2 1 1 9 3734 1 1 22 HIS HE1 H -4.064 5.119 -0.394 1.00 . A A . 22 HIS HE1 1 1 9 3735 1 1 22 HIS HE2 H -3.612 2.862 0.612 1.00 . A A . 22 HIS HE2 1 1 9 3736 1 1 22 HIS N N -3.555 4.651 5.344 1.00 . A A . 22 HIS N 1 1 9 3737 1 1 22 HIS ND1 N -4.779 5.521 1.583 1.00 . A A . 22 HIS ND1 1 1 9 3738 1 1 22 HIS NE2 N -4.169 3.539 1.041 1.00 . A A . 22 HIS NE2 1 1 9 3739 1 1 22 HIS O O -6.709 2.873 5.256 1.00 . A A . 22 HIS O 1 1 9 3740 1 1 23 CYS C C -4.401 0.001 6.204 1.00 . A A . 23 CYS C 1 1 9 3741 1 1 23 CYS CA C -4.942 0.781 5.009 1.00 . A A . 23 CYS CA 1 1 9 3742 1 1 23 CYS CB C -4.383 0.225 3.711 1.00 . A A . 23 CYS CB 1 1 9 3743 1 1 23 CYS H H -3.642 2.416 5.026 1.00 . A A . 23 CYS H 1 1 9 3744 1 1 23 CYS HA H -6.018 0.705 4.992 1.00 . A A . 23 CYS HA 1 1 9 3745 1 1 23 CYS HB2 H -3.541 0.831 3.410 1.00 . A A . 23 CYS HB2 1 1 9 3746 1 1 23 CYS HB3 H -4.044 -0.777 3.879 1.00 . A A . 23 CYS HB3 1 1 9 3747 1 1 23 CYS N N -4.584 2.175 5.089 1.00 . A A . 23 CYS N 1 1 9 3748 1 1 23 CYS O O -3.294 0.260 6.677 1.00 . A A . 23 CYS O 1 1 9 3749 1 1 23 CYS SG S -5.567 0.210 2.322 1.00 . A A . 23 CYS SG 1 1 9 3750 1 1 24 GLN C C -4.271 -3.132 7.365 1.00 . A A . 24 GLN C 1 1 9 3751 1 1 24 GLN CA C -4.788 -1.773 7.825 1.00 . A A . 24 GLN CA 1 1 9 3752 1 1 24 GLN CB C -5.966 -1.960 8.784 1.00 . A A . 24 GLN CB 1 1 9 3753 1 1 24 GLN CD C -8.145 -3.186 9.141 1.00 . A A . 24 GLN CD 1 1 9 3754 1 1 24 GLN CG C -7.188 -2.583 8.131 1.00 . A A . 24 GLN CG 1 1 9 3755 1 1 24 GLN H H -6.059 -1.114 6.266 1.00 . A A . 24 GLN H 1 1 9 3756 1 1 24 GLN HA H -3.994 -1.255 8.342 1.00 . A A . 24 GLN HA 1 1 9 3757 1 1 24 GLN HB2 H -5.654 -2.599 9.597 1.00 . A A . 24 GLN HB2 1 1 9 3758 1 1 24 GLN HB3 H -6.248 -0.997 9.182 1.00 . A A . 24 GLN HB3 1 1 9 3759 1 1 24 GLN HE21 H -9.702 -2.490 8.119 1.00 . A A . 24 GLN HE21 1 1 9 3760 1 1 24 GLN HE22 H -10.081 -3.378 9.551 1.00 . A A . 24 GLN HE22 1 1 9 3761 1 1 24 GLN HG2 H -7.711 -1.820 7.574 1.00 . A A . 24 GLN HG2 1 1 9 3762 1 1 24 GLN HG3 H -6.863 -3.361 7.455 1.00 . A A . 24 GLN HG3 1 1 9 3763 1 1 24 GLN N N -5.188 -0.955 6.686 1.00 . A A . 24 GLN N 1 1 9 3764 1 1 24 GLN NE2 N -9.440 -2.999 8.914 1.00 . A A . 24 GLN NE2 1 1 9 3765 1 1 24 GLN O O -4.283 -3.438 6.172 1.00 . A A . 24 GLN O 1 1 9 3766 1 1 24 GLN OE1 O -7.725 -3.813 10.113 1.00 . A A . 24 GLN OE1 1 1 9 3767 1 1 25 ALA C C -1.818 -5.208 7.632 1.00 . A A . 25 ALA C 1 1 9 3768 1 1 25 ALA CA C -3.287 -5.275 8.033 1.00 . A A . 25 ALA CA 1 1 9 3769 1 1 25 ALA CB C -4.106 -5.967 6.949 1.00 . A A . 25 ALA CB 1 1 9 3770 1 1 25 ALA H H -3.834 -3.630 9.251 1.00 . A A . 25 ALA H 1 1 9 3771 1 1 25 ALA HA H -3.370 -5.861 8.938 1.00 . A A . 25 ALA HA 1 1 9 3772 1 1 25 ALA HB1 H -4.017 -7.038 7.060 1.00 . A A . 25 ALA HB1 1 1 9 3773 1 1 25 ALA HB2 H -3.737 -5.674 5.977 1.00 . A A . 25 ALA HB2 1 1 9 3774 1 1 25 ALA HB3 H -5.143 -5.680 7.042 1.00 . A A . 25 ALA HB3 1 1 9 3775 1 1 25 ALA N N -3.815 -3.940 8.322 1.00 . A A . 25 ALA N 1 1 9 3776 1 1 25 ALA O O -1.362 -5.971 6.779 1.00 . A A . 25 ALA O 1 1 9 3777 1 1 26 GLY C C 1.191 -5.155 8.674 1.00 . A A . 26 GLY C 1 1 9 3778 1 1 26 GLY CA C 0.329 -4.143 7.945 1.00 . A A . 26 GLY CA 1 1 9 3779 1 1 26 GLY H H -1.499 -3.712 8.922 1.00 . A A . 26 GLY H 1 1 9 3780 1 1 26 GLY HA2 H 0.470 -4.267 6.881 1.00 . A A . 26 GLY HA2 1 1 9 3781 1 1 26 GLY HA3 H 0.644 -3.149 8.226 1.00 . A A . 26 GLY HA3 1 1 9 3782 1 1 26 GLY N N -1.082 -4.292 8.251 1.00 . A A . 26 GLY N 1 1 9 3783 1 1 26 GLY O O 1.308 -6.303 8.248 1.00 . A A . 26 GLY O 1 1 9 3784 1 1 27 LYS C C 2.743 -5.118 12.011 1.00 . A A . 27 LYS C 1 1 9 3785 1 1 27 LYS CA C 2.652 -5.604 10.568 1.00 . A A . 27 LYS CA 1 1 9 3786 1 1 27 LYS CB C 4.051 -5.676 9.953 1.00 . A A . 27 LYS CB 1 1 9 3787 1 1 27 LYS CD C 6.223 -6.936 9.883 1.00 . A A . 27 LYS CD 1 1 9 3788 1 1 27 LYS CE C 6.898 -8.288 10.052 1.00 . A A . 27 LYS CE 1 1 9 3789 1 1 27 LYS CG C 4.727 -7.025 10.136 1.00 . A A . 27 LYS CG 1 1 9 3790 1 1 27 LYS H H 1.664 -3.800 10.067 1.00 . A A . 27 LYS H 1 1 9 3791 1 1 27 LYS HA H 2.214 -6.590 10.560 1.00 . A A . 27 LYS HA 1 1 9 3792 1 1 27 LYS HB2 H 3.977 -5.476 8.894 1.00 . A A . 27 LYS HB2 1 1 9 3793 1 1 27 LYS HB3 H 4.672 -4.921 10.411 1.00 . A A . 27 LYS HB3 1 1 9 3794 1 1 27 LYS HD2 H 6.388 -6.588 8.874 1.00 . A A . 27 LYS HD2 1 1 9 3795 1 1 27 LYS HD3 H 6.657 -6.237 10.583 1.00 . A A . 27 LYS HD3 1 1 9 3796 1 1 27 LYS HE2 H 6.482 -8.777 10.921 1.00 . A A . 27 LYS HE2 1 1 9 3797 1 1 27 LYS HE3 H 6.702 -8.886 9.175 1.00 . A A . 27 LYS HE3 1 1 9 3798 1 1 27 LYS HG2 H 4.563 -7.364 11.148 1.00 . A A . 27 LYS HG2 1 1 9 3799 1 1 27 LYS HG3 H 4.294 -7.731 9.443 1.00 . A A . 27 LYS HG3 1 1 9 3800 1 1 27 LYS HZ1 H 8.596 -7.997 11.234 1.00 . A A . 27 LYS HZ1 1 1 9 3801 1 1 27 LYS HZ2 H 8.727 -7.353 9.676 1.00 . A A . 27 LYS HZ2 1 1 9 3802 1 1 27 LYS HZ3 H 8.848 -9.023 9.912 1.00 . A A . 27 LYS HZ3 1 1 9 3803 1 1 27 LYS N N 1.796 -4.727 9.778 1.00 . A A . 27 LYS N 1 1 9 3804 1 1 27 LYS NZ N 8.370 -8.156 10.231 1.00 . A A . 27 LYS NZ 1 1 9 3805 1 1 27 LYS O O 2.605 -5.957 12.927 1.00 . A A . 27 LYS O 1 1 9 3806 1 1 27 LYS OXT O 2.953 -3.904 12.214 1.00 . A A . 27 LYS OXT 1 1 9 3807 2 2 1 ZN ZN ZN -4.213 0.064 0.463 1.00 . B A . 28 ZN ZN 1 1 10 3808 1 1 1 GLU C C 0.857 -3.081 1.155 1.00 . A A . 1 GLU C 1 1 10 3809 1 1 1 GLU CA C 1.700 -3.277 2.407 1.00 . A A . 1 GLU CA 1 1 10 3810 1 1 1 GLU CB C 2.563 -4.533 2.274 1.00 . A A . 1 GLU CB 1 1 10 3811 1 1 1 GLU CD C 4.765 -5.644 2.820 1.00 . A A . 1 GLU CD 1 1 10 3812 1 1 1 GLU CG C 3.815 -4.505 3.135 1.00 . A A . 1 GLU CG 1 1 10 3813 1 1 1 GLU H1 H 0.074 -4.072 3.386 1.00 . A A . 1 GLU H1 1 1 10 3814 1 1 1 GLU H2 H 0.477 -2.470 3.851 1.00 . A A . 1 GLU H2 1 1 10 3815 1 1 1 GLU H3 H 1.439 -3.788 4.383 1.00 . A A . 1 GLU H3 1 1 10 3816 1 1 1 GLU HA H 2.340 -2.416 2.533 1.00 . A A . 1 GLU HA 1 1 10 3817 1 1 1 GLU HB2 H 1.975 -5.392 2.559 1.00 . A A . 1 GLU HB2 1 1 10 3818 1 1 1 GLU HB3 H 2.865 -4.641 1.242 1.00 . A A . 1 GLU HB3 1 1 10 3819 1 1 1 GLU HG2 H 4.330 -3.571 2.969 1.00 . A A . 1 GLU HG2 1 1 10 3820 1 1 1 GLU HG3 H 3.524 -4.575 4.173 1.00 . A A . 1 GLU HG3 1 1 10 3821 1 1 1 GLU N N 0.845 -3.414 3.616 1.00 . A A . 1 GLU N 1 1 10 3822 1 1 1 GLU O O -0.152 -3.758 0.956 1.00 . A A . 1 GLU O 1 1 10 3823 1 1 1 GLU OE1 O 5.573 -5.500 1.879 1.00 . A A . 1 GLU OE1 1 1 10 3824 1 1 1 GLU OE2 O 4.700 -6.681 3.514 1.00 . A A . 1 GLU OE2 1 1 10 3825 1 1 2 VAL C C 0.609 -3.031 -1.881 1.00 . A A . 2 VAL C 1 1 10 3826 1 1 2 VAL CA C 0.574 -1.845 -0.921 1.00 . A A . 2 VAL CA 1 1 10 3827 1 1 2 VAL CB C 1.178 -0.607 -1.611 1.00 . A A . 2 VAL CB 1 1 10 3828 1 1 2 VAL CG1 C 2.572 -0.909 -2.143 1.00 . A A . 2 VAL CG1 1 1 10 3829 1 1 2 VAL CG2 C 0.266 -0.117 -2.725 1.00 . A A . 2 VAL CG2 1 1 10 3830 1 1 2 VAL H H 2.091 -1.640 0.535 1.00 . A A . 2 VAL H 1 1 10 3831 1 1 2 VAL HA H -0.454 -1.626 -0.672 1.00 . A A . 2 VAL HA 1 1 10 3832 1 1 2 VAL HB H 1.265 0.178 -0.874 1.00 . A A . 2 VAL HB 1 1 10 3833 1 1 2 VAL HG11 H 2.519 -1.094 -3.206 1.00 . A A . 2 VAL HG11 1 1 10 3834 1 1 2 VAL HG12 H 2.967 -1.782 -1.645 1.00 . A A . 2 VAL HG12 1 1 10 3835 1 1 2 VAL HG13 H 3.219 -0.065 -1.957 1.00 . A A . 2 VAL HG13 1 1 10 3836 1 1 2 VAL HG21 H -0.735 -0.488 -2.561 1.00 . A A . 2 VAL HG21 1 1 10 3837 1 1 2 VAL HG22 H 0.632 -0.478 -3.675 1.00 . A A . 2 VAL HG22 1 1 10 3838 1 1 2 VAL HG23 H 0.253 0.963 -2.731 1.00 . A A . 2 VAL HG23 1 1 10 3839 1 1 2 VAL N N 1.281 -2.145 0.315 1.00 . A A . 2 VAL N 1 1 10 3840 1 1 2 VAL O O -0.313 -3.229 -2.672 1.00 . A A . 2 VAL O 1 1 10 3841 1 1 3 ARG C C 0.775 -6.033 -2.358 1.00 . A A . 3 ARG C 1 1 10 3842 1 1 3 ARG CA C 1.835 -4.981 -2.666 1.00 . A A . 3 ARG CA 1 1 10 3843 1 1 3 ARG CB C 3.231 -5.582 -2.497 1.00 . A A . 3 ARG CB 1 1 10 3844 1 1 3 ARG CD C 5.672 -5.140 -2.895 1.00 . A A . 3 ARG CD 1 1 10 3845 1 1 3 ARG CG C 4.263 -5.001 -3.448 1.00 . A A . 3 ARG CG 1 1 10 3846 1 1 3 ARG CZ C 6.838 -6.530 -4.564 1.00 . A A . 3 ARG CZ 1 1 10 3847 1 1 3 ARG H H 2.380 -3.606 -1.153 1.00 . A A . 3 ARG H 1 1 10 3848 1 1 3 ARG HA H 1.715 -4.655 -3.688 1.00 . A A . 3 ARG HA 1 1 10 3849 1 1 3 ARG HB2 H 3.566 -5.406 -1.485 1.00 . A A . 3 ARG HB2 1 1 10 3850 1 1 3 ARG HB3 H 3.175 -6.647 -2.667 1.00 . A A . 3 ARG HB3 1 1 10 3851 1 1 3 ARG HD2 H 5.927 -4.236 -2.363 1.00 . A A . 3 ARG HD2 1 1 10 3852 1 1 3 ARG HD3 H 5.696 -5.977 -2.213 1.00 . A A . 3 ARG HD3 1 1 10 3853 1 1 3 ARG HE H 7.211 -4.599 -4.220 1.00 . A A . 3 ARG HE 1 1 10 3854 1 1 3 ARG HG2 H 4.205 -5.524 -4.391 1.00 . A A . 3 ARG HG2 1 1 10 3855 1 1 3 ARG HG3 H 4.048 -3.953 -3.601 1.00 . A A . 3 ARG HG3 1 1 10 3856 1 1 3 ARG HH11 H 5.412 -7.504 -3.511 1.00 . A A . 3 ARG HH11 1 1 10 3857 1 1 3 ARG HH12 H 6.246 -8.459 -4.690 1.00 . A A . 3 ARG HH12 1 1 10 3858 1 1 3 ARG HH21 H 8.309 -5.853 -5.773 1.00 . A A . 3 ARG HH21 1 1 10 3859 1 1 3 ARG HH22 H 7.891 -7.522 -5.975 1.00 . A A . 3 ARG HH22 1 1 10 3860 1 1 3 ARG N N 1.679 -3.815 -1.804 1.00 . A A . 3 ARG N 1 1 10 3861 1 1 3 ARG NE N 6.656 -5.361 -3.952 1.00 . A A . 3 ARG NE 1 1 10 3862 1 1 3 ARG NH1 N 6.105 -7.584 -4.227 1.00 . A A . 3 ARG NH1 1 1 10 3863 1 1 3 ARG NH2 N 7.754 -6.644 -5.515 1.00 . A A . 3 ARG NH2 1 1 10 3864 1 1 3 ARG O O 0.397 -6.819 -3.226 1.00 . A A . 3 ARG O 1 1 10 3865 1 1 4 ALA C C -2.116 -6.393 -0.723 1.00 . A A . 4 ALA C 1 1 10 3866 1 1 4 ALA CA C -0.716 -7.004 -0.698 1.00 . A A . 4 ALA CA 1 1 10 3867 1 1 4 ALA CB C -0.397 -7.537 0.690 1.00 . A A . 4 ALA CB 1 1 10 3868 1 1 4 ALA H H 0.639 -5.395 -0.466 1.00 . A A . 4 ALA H 1 1 10 3869 1 1 4 ALA HA H -0.689 -7.833 -1.388 1.00 . A A . 4 ALA HA 1 1 10 3870 1 1 4 ALA HB1 H -0.684 -8.576 0.752 1.00 . A A . 4 ALA HB1 1 1 10 3871 1 1 4 ALA HB2 H -0.943 -6.969 1.428 1.00 . A A . 4 ALA HB2 1 1 10 3872 1 1 4 ALA HB3 H 0.663 -7.444 0.876 1.00 . A A . 4 ALA HB3 1 1 10 3873 1 1 4 ALA N N 0.299 -6.045 -1.116 1.00 . A A . 4 ALA N 1 1 10 3874 1 1 4 ALA O O -3.093 -7.052 -0.369 1.00 . A A . 4 ALA O 1 1 10 3875 1 1 5 CYS C C -4.309 -4.942 -2.404 1.00 . A A . 5 CYS C 1 1 10 3876 1 1 5 CYS CA C -3.496 -4.452 -1.213 1.00 . A A . 5 CYS CA 1 1 10 3877 1 1 5 CYS CB C -3.303 -2.941 -1.320 1.00 . A A . 5 CYS CB 1 1 10 3878 1 1 5 CYS H H -1.402 -4.658 -1.417 1.00 . A A . 5 CYS H 1 1 10 3879 1 1 5 CYS HA H -4.036 -4.671 -0.304 1.00 . A A . 5 CYS HA 1 1 10 3880 1 1 5 CYS HB2 H -2.539 -2.631 -0.629 1.00 . A A . 5 CYS HB2 1 1 10 3881 1 1 5 CYS HB3 H -2.996 -2.693 -2.325 1.00 . A A . 5 CYS HB3 1 1 10 3882 1 1 5 CYS N N -2.210 -5.135 -1.144 1.00 . A A . 5 CYS N 1 1 10 3883 1 1 5 CYS O O -3.764 -5.507 -3.352 1.00 . A A . 5 CYS O 1 1 10 3884 1 1 5 CYS SG S -4.805 -1.984 -0.947 1.00 . A A . 5 CYS SG 1 1 10 3885 1 1 6 SER C C -7.199 -3.897 -4.047 1.00 . A A . 6 SER C 1 1 10 3886 1 1 6 SER CA C -6.504 -5.112 -3.436 1.00 . A A . 6 SER CA 1 1 10 3887 1 1 6 SER CB C -7.547 -6.106 -2.922 1.00 . A A . 6 SER CB 1 1 10 3888 1 1 6 SER H H -5.990 -4.246 -1.577 1.00 . A A . 6 SER H 1 1 10 3889 1 1 6 SER HA H -5.906 -5.591 -4.197 1.00 . A A . 6 SER HA 1 1 10 3890 1 1 6 SER HB2 H -8.384 -6.132 -3.604 1.00 . A A . 6 SER HB2 1 1 10 3891 1 1 6 SER HB3 H -7.103 -7.089 -2.860 1.00 . A A . 6 SER HB3 1 1 10 3892 1 1 6 SER HG H -8.893 -5.350 -1.717 1.00 . A A . 6 SER HG 1 1 10 3893 1 1 6 SER N N -5.615 -4.708 -2.355 1.00 . A A . 6 SER N 1 1 10 3894 1 1 6 SER O O -8.221 -4.031 -4.721 1.00 . A A . 6 SER O 1 1 10 3895 1 1 6 SER OG O -8.018 -5.735 -1.638 1.00 . A A . 6 SER OG 1 1 10 3896 1 1 7 LEU C C -6.400 -0.945 -5.511 1.00 . A A . 7 LEU C 1 1 10 3897 1 1 7 LEU CA C -7.220 -1.478 -4.338 1.00 . A A . 7 LEU CA 1 1 10 3898 1 1 7 LEU CB C -7.307 -0.415 -3.242 1.00 . A A . 7 LEU CB 1 1 10 3899 1 1 7 LEU CD1 C -7.492 -0.310 -0.739 1.00 . A A . 7 LEU CD1 1 1 10 3900 1 1 7 LEU CD2 C -9.558 -0.255 -2.152 1.00 . A A . 7 LEU CD2 1 1 10 3901 1 1 7 LEU CG C -8.145 -0.805 -2.022 1.00 . A A . 7 LEU CG 1 1 10 3902 1 1 7 LEU H H -5.827 -2.659 -3.262 1.00 . A A . 7 LEU H 1 1 10 3903 1 1 7 LEU HA H -8.217 -1.705 -4.685 1.00 . A A . 7 LEU HA 1 1 10 3904 1 1 7 LEU HB2 H -6.304 -0.188 -2.909 1.00 . A A . 7 LEU HB2 1 1 10 3905 1 1 7 LEU HB3 H -7.733 0.478 -3.672 1.00 . A A . 7 LEU HB3 1 1 10 3906 1 1 7 LEU HD11 H -7.218 -1.155 -0.125 1.00 . A A . 7 LEU HD11 1 1 10 3907 1 1 7 LEU HD12 H -8.186 0.317 -0.198 1.00 . A A . 7 LEU HD12 1 1 10 3908 1 1 7 LEU HD13 H -6.607 0.260 -0.981 1.00 . A A . 7 LEU HD13 1 1 10 3909 1 1 7 LEU HD21 H -9.545 0.812 -1.983 1.00 . A A . 7 LEU HD21 1 1 10 3910 1 1 7 LEU HD22 H -10.197 -0.727 -1.420 1.00 . A A . 7 LEU HD22 1 1 10 3911 1 1 7 LEU HD23 H -9.934 -0.458 -3.143 1.00 . A A . 7 LEU HD23 1 1 10 3912 1 1 7 LEU HG H -8.209 -1.882 -1.968 1.00 . A A . 7 LEU HG 1 1 10 3913 1 1 7 LEU N N -6.643 -2.709 -3.808 1.00 . A A . 7 LEU N 1 1 10 3914 1 1 7 LEU O O -5.173 -1.041 -5.515 1.00 . A A . 7 LEU O 1 1 10 3915 1 1 8 PRO C C -5.805 1.573 -7.432 1.00 . A A . 8 PRO C 1 1 10 3916 1 1 8 PRO CA C -6.399 0.191 -7.699 1.00 . A A . 8 PRO CA 1 1 10 3917 1 1 8 PRO CB C -7.527 0.283 -8.722 1.00 . A A . 8 PRO CB 1 1 10 3918 1 1 8 PRO CD C -8.536 -0.202 -6.599 1.00 . A A . 8 PRO CD 1 1 10 3919 1 1 8 PRO CG C -8.752 0.519 -7.906 1.00 . A A . 8 PRO CG 1 1 10 3920 1 1 8 PRO HA H -5.627 -0.469 -8.066 1.00 . A A . 8 PRO HA 1 1 10 3921 1 1 8 PRO HB2 H -7.337 1.102 -9.400 1.00 . A A . 8 PRO HB2 1 1 10 3922 1 1 8 PRO HB3 H -7.594 -0.642 -9.275 1.00 . A A . 8 PRO HB3 1 1 10 3923 1 1 8 PRO HD2 H -8.899 0.396 -5.776 1.00 . A A . 8 PRO HD2 1 1 10 3924 1 1 8 PRO HD3 H -9.030 -1.163 -6.614 1.00 . A A . 8 PRO HD3 1 1 10 3925 1 1 8 PRO HG2 H -8.877 1.577 -7.733 1.00 . A A . 8 PRO HG2 1 1 10 3926 1 1 8 PRO HG3 H -9.615 0.117 -8.416 1.00 . A A . 8 PRO HG3 1 1 10 3927 1 1 8 PRO N N -7.070 -0.365 -6.523 1.00 . A A . 8 PRO N 1 1 10 3928 1 1 8 PRO O O -5.077 2.116 -8.263 1.00 . A A . 8 PRO O 1 1 10 3929 1 1 9 HIS C C -4.204 3.352 -5.341 1.00 . A A . 9 HIS C 1 1 10 3930 1 1 9 HIS CA C -5.619 3.453 -5.891 1.00 . A A . 9 HIS CA 1 1 10 3931 1 1 9 HIS CB C -6.530 4.086 -4.838 1.00 . A A . 9 HIS CB 1 1 10 3932 1 1 9 HIS CD2 C -5.206 6.153 -4.008 1.00 . A A . 9 HIS CD2 1 1 10 3933 1 1 9 HIS CE1 C -6.596 7.714 -4.668 1.00 . A A . 9 HIS CE1 1 1 10 3934 1 1 9 HIS CG C -6.253 5.538 -4.607 1.00 . A A . 9 HIS CG 1 1 10 3935 1 1 9 HIS H H -6.704 1.655 -5.647 1.00 . A A . 9 HIS H 1 1 10 3936 1 1 9 HIS HA H -5.611 4.075 -6.773 1.00 . A A . 9 HIS HA 1 1 10 3937 1 1 9 HIS HB2 H -7.558 3.987 -5.152 1.00 . A A . 9 HIS HB2 1 1 10 3938 1 1 9 HIS HB3 H -6.393 3.569 -3.898 1.00 . A A . 9 HIS HB3 1 1 10 3939 1 1 9 HIS HD1 H -7.959 6.418 -5.475 1.00 . A A . 9 HIS HD1 1 1 10 3940 1 1 9 HIS HD2 H -4.343 5.668 -3.570 1.00 . A A . 9 HIS HD2 1 1 10 3941 1 1 9 HIS HE1 H -7.046 8.678 -4.854 1.00 . A A . 9 HIS HE1 1 1 10 3942 1 1 9 HIS HE2 H -4.900 8.195 -3.625 1.00 . A A . 9 HIS HE2 1 1 10 3943 1 1 9 HIS N N -6.121 2.136 -6.269 1.00 . A A . 9 HIS N 1 1 10 3944 1 1 9 HIS ND1 N -7.107 6.543 -5.009 1.00 . A A . 9 HIS ND1 1 1 10 3945 1 1 9 HIS NE2 N -5.444 7.504 -4.059 1.00 . A A . 9 HIS NE2 1 1 10 3946 1 1 9 HIS O O -3.304 4.077 -5.764 1.00 . A A . 9 HIS O 1 1 10 3947 1 1 10 CYS C C -1.717 1.693 -4.772 1.00 . A A . 10 CYS C 1 1 10 3948 1 1 10 CYS CA C -2.725 2.238 -3.766 1.00 . A A . 10 CYS CA 1 1 10 3949 1 1 10 CYS CB C -2.858 1.279 -2.581 1.00 . A A . 10 CYS CB 1 1 10 3950 1 1 10 CYS H H -4.785 1.903 -4.101 1.00 . A A . 10 CYS H 1 1 10 3951 1 1 10 CYS HA H -2.374 3.193 -3.405 1.00 . A A . 10 CYS HA 1 1 10 3952 1 1 10 CYS HB2 H -2.912 0.267 -2.953 1.00 . A A . 10 CYS HB2 1 1 10 3953 1 1 10 CYS HB3 H -1.990 1.378 -1.947 1.00 . A A . 10 CYS HB3 1 1 10 3954 1 1 10 CYS N N -4.023 2.446 -4.391 1.00 . A A . 10 CYS N 1 1 10 3955 1 1 10 CYS O O -0.511 1.893 -4.627 1.00 . A A . 10 CYS O 1 1 10 3956 1 1 10 CYS SG S -4.336 1.566 -1.551 1.00 . A A . 10 CYS SG 1 1 10 3957 1 1 11 ARG C C -0.799 1.541 -7.725 1.00 . A A . 11 ARG C 1 1 10 3958 1 1 11 ARG CA C -1.356 0.441 -6.827 1.00 . A A . 11 ARG CA 1 1 10 3959 1 1 11 ARG CB C -2.127 -0.580 -7.665 1.00 . A A . 11 ARG CB 1 1 10 3960 1 1 11 ARG CD C -2.038 -1.730 -9.897 1.00 . A A . 11 ARG CD 1 1 10 3961 1 1 11 ARG CG C -1.257 -1.337 -8.654 1.00 . A A . 11 ARG CG 1 1 10 3962 1 1 11 ARG CZ C -0.384 -3.092 -11.115 1.00 . A A . 11 ARG CZ 1 1 10 3963 1 1 11 ARG H H -3.189 0.883 -5.862 1.00 . A A . 11 ARG H 1 1 10 3964 1 1 11 ARG HA H -0.534 -0.057 -6.335 1.00 . A A . 11 ARG HA 1 1 10 3965 1 1 11 ARG HB2 H -2.589 -1.297 -7.002 1.00 . A A . 11 ARG HB2 1 1 10 3966 1 1 11 ARG HB3 H -2.899 -0.065 -8.218 1.00 . A A . 11 ARG HB3 1 1 10 3967 1 1 11 ARG HD2 H -2.620 -2.613 -9.677 1.00 . A A . 11 ARG HD2 1 1 10 3968 1 1 11 ARG HD3 H -2.701 -0.919 -10.161 1.00 . A A . 11 ARG HD3 1 1 10 3969 1 1 11 ARG HE H -1.145 -1.365 -11.764 1.00 . A A . 11 ARG HE 1 1 10 3970 1 1 11 ARG HG2 H -0.429 -0.708 -8.946 1.00 . A A . 11 ARG HG2 1 1 10 3971 1 1 11 ARG HG3 H -0.881 -2.231 -8.177 1.00 . A A . 11 ARG HG3 1 1 10 3972 1 1 11 ARG HH11 H -0.954 -3.862 -9.333 1.00 . A A . 11 ARG HH11 1 1 10 3973 1 1 11 ARG HH12 H 0.207 -4.800 -10.209 1.00 . A A . 11 ARG HH12 1 1 10 3974 1 1 11 ARG HH21 H 0.383 -2.599 -12.918 1.00 . A A . 11 ARG HH21 1 1 10 3975 1 1 11 ARG HH22 H 0.967 -4.084 -12.244 1.00 . A A . 11 ARG HH22 1 1 10 3976 1 1 11 ARG N N -2.218 1.007 -5.796 1.00 . A A . 11 ARG N 1 1 10 3977 1 1 11 ARG NE N -1.159 -2.013 -11.029 1.00 . A A . 11 ARG NE 1 1 10 3978 1 1 11 ARG NH1 N -0.377 -3.992 -10.139 1.00 . A A . 11 ARG NH1 1 1 10 3979 1 1 11 ARG NH2 N 0.385 -3.273 -12.180 1.00 . A A . 11 ARG NH2 1 1 10 3980 1 1 11 ARG O O -1.356 1.834 -8.783 1.00 . A A . 11 ARG O 1 1 10 3981 1 1 12 THR C C 2.457 3.130 -7.944 1.00 . A A . 12 THR C 1 1 10 3982 1 1 12 THR CA C 0.933 3.221 -8.049 1.00 . A A . 12 THR CA 1 1 10 3983 1 1 12 THR CB C 0.440 4.576 -7.537 1.00 . A A . 12 THR CB 1 1 10 3984 1 1 12 THR CG2 C 1.088 5.755 -8.230 1.00 . A A . 12 THR CG2 1 1 10 3985 1 1 12 THR H H 0.693 1.872 -6.437 1.00 . A A . 12 THR H 1 1 10 3986 1 1 12 THR HA H 0.647 3.110 -9.084 1.00 . A A . 12 THR HA 1 1 10 3987 1 1 12 THR HB H 0.663 4.647 -6.480 1.00 . A A . 12 THR HB 1 1 10 3988 1 1 12 THR HG1 H -1.350 5.059 -6.905 1.00 . A A . 12 THR HG1 1 1 10 3989 1 1 12 THR HG21 H 0.338 6.500 -8.451 1.00 . A A . 12 THR HG21 1 1 10 3990 1 1 12 THR HG22 H 1.548 5.424 -9.149 1.00 . A A . 12 THR HG22 1 1 10 3991 1 1 12 THR HG23 H 1.841 6.183 -7.584 1.00 . A A . 12 THR HG23 1 1 10 3992 1 1 12 THR N N 0.300 2.148 -7.291 1.00 . A A . 12 THR N 1 1 10 3993 1 1 12 THR O O 3.093 2.396 -8.699 1.00 . A A . 12 THR O 1 1 10 3994 1 1 12 THR OG1 O -0.962 4.696 -7.705 1.00 . A A . 12 THR OG1 1 1 10 3995 1 1 13 MET C C 4.827 2.961 -5.600 1.00 . A A . 13 MET C 1 1 10 3996 1 1 13 MET CA C 4.477 3.847 -6.790 1.00 . A A . 13 MET CA 1 1 10 3997 1 1 13 MET CB C 5.002 5.266 -6.561 1.00 . A A . 13 MET CB 1 1 10 3998 1 1 13 MET CE C 6.358 7.374 -9.735 1.00 . A A . 13 MET CE 1 1 10 3999 1 1 13 MET CG C 4.821 6.181 -7.761 1.00 . A A . 13 MET CG 1 1 10 4000 1 1 13 MET H H 2.483 4.422 -6.413 1.00 . A A . 13 MET H 1 1 10 4001 1 1 13 MET HA H 4.936 3.438 -7.678 1.00 . A A . 13 MET HA 1 1 10 4002 1 1 13 MET HB2 H 4.479 5.700 -5.722 1.00 . A A . 13 MET HB2 1 1 10 4003 1 1 13 MET HB3 H 6.055 5.214 -6.330 1.00 . A A . 13 MET HB3 1 1 10 4004 1 1 13 MET HE1 H 7.255 6.843 -10.015 1.00 . A A . 13 MET HE1 1 1 10 4005 1 1 13 MET HE2 H 6.423 8.396 -10.077 1.00 . A A . 13 MET HE2 1 1 10 4006 1 1 13 MET HE3 H 5.501 6.897 -10.188 1.00 . A A . 13 MET HE3 1 1 10 4007 1 1 13 MET HG2 H 4.758 5.576 -8.653 1.00 . A A . 13 MET HG2 1 1 10 4008 1 1 13 MET HG3 H 3.903 6.736 -7.638 1.00 . A A . 13 MET HG3 1 1 10 4009 1 1 13 MET N N 3.037 3.865 -6.996 1.00 . A A . 13 MET N 1 1 10 4010 1 1 13 MET O O 5.896 3.099 -5.005 1.00 . A A . 13 MET O 1 1 10 4011 1 1 13 MET SD S 6.181 7.350 -7.953 1.00 . A A . 13 MET SD 1 1 10 4012 1 1 14 LYS C C 4.446 1.899 -2.857 1.00 . A A . 14 LYS C 1 1 10 4013 1 1 14 LYS CA C 4.094 1.144 -4.134 1.00 . A A . 14 LYS CA 1 1 10 4014 1 1 14 LYS CB C 5.170 0.096 -4.458 1.00 . A A . 14 LYS CB 1 1 10 4015 1 1 14 LYS CD C 7.603 -0.483 -4.211 1.00 . A A . 14 LYS CD 1 1 10 4016 1 1 14 LYS CE C 8.777 -0.004 -3.373 1.00 . A A . 14 LYS CE 1 1 10 4017 1 1 14 LYS CG C 6.594 0.630 -4.443 1.00 . A A . 14 LYS CG 1 1 10 4018 1 1 14 LYS H H 3.071 2.014 -5.768 1.00 . A A . 14 LYS H 1 1 10 4019 1 1 14 LYS HA H 3.155 0.635 -3.978 1.00 . A A . 14 LYS HA 1 1 10 4020 1 1 14 LYS HB2 H 5.104 -0.701 -3.733 1.00 . A A . 14 LYS HB2 1 1 10 4021 1 1 14 LYS HB3 H 4.972 -0.309 -5.439 1.00 . A A . 14 LYS HB3 1 1 10 4022 1 1 14 LYS HD2 H 7.115 -1.296 -3.696 1.00 . A A . 14 LYS HD2 1 1 10 4023 1 1 14 LYS HD3 H 7.971 -0.828 -5.166 1.00 . A A . 14 LYS HD3 1 1 10 4024 1 1 14 LYS HE2 H 9.301 0.768 -3.917 1.00 . A A . 14 LYS HE2 1 1 10 4025 1 1 14 LYS HE3 H 8.400 0.403 -2.446 1.00 . A A . 14 LYS HE3 1 1 10 4026 1 1 14 LYS HG2 H 6.803 1.097 -5.394 1.00 . A A . 14 LYS HG2 1 1 10 4027 1 1 14 LYS HG3 H 6.689 1.361 -3.654 1.00 . A A . 14 LYS HG3 1 1 10 4028 1 1 14 LYS HZ1 H 10.397 -1.233 -3.852 1.00 . A A . 14 LYS HZ1 1 1 10 4029 1 1 14 LYS HZ2 H 9.209 -1.997 -2.922 1.00 . A A . 14 LYS HZ2 1 1 10 4030 1 1 14 LYS HZ3 H 10.263 -0.889 -2.201 1.00 . A A . 14 LYS HZ3 1 1 10 4031 1 1 14 LYS N N 3.907 2.059 -5.255 1.00 . A A . 14 LYS N 1 1 10 4032 1 1 14 LYS NZ N 9.728 -1.108 -3.065 1.00 . A A . 14 LYS NZ 1 1 10 4033 1 1 14 LYS O O 5.174 1.392 -2.003 1.00 . A A . 14 LYS O 1 1 10 4034 1 1 15 ASN C C 3.494 3.324 -0.330 1.00 . A A . 15 ASN C 1 1 10 4035 1 1 15 ASN CA C 4.164 3.933 -1.558 1.00 . A A . 15 ASN CA 1 1 10 4036 1 1 15 ASN CB C 3.646 5.352 -1.793 1.00 . A A . 15 ASN CB 1 1 10 4037 1 1 15 ASN CG C 2.253 5.375 -2.393 1.00 . A A . 15 ASN CG 1 1 10 4038 1 1 15 ASN H H 3.340 3.461 -3.440 1.00 . A A . 15 ASN H 1 1 10 4039 1 1 15 ASN HA H 5.230 3.968 -1.394 1.00 . A A . 15 ASN HA 1 1 10 4040 1 1 15 ASN HB2 H 3.618 5.873 -0.854 1.00 . A A . 15 ASN HB2 1 1 10 4041 1 1 15 ASN HB3 H 4.317 5.867 -2.465 1.00 . A A . 15 ASN HB3 1 1 10 4042 1 1 15 ASN HD21 H 2.866 6.608 -3.828 1.00 . A A . 15 ASN HD21 1 1 10 4043 1 1 15 ASN HD22 H 1.200 6.154 -3.889 1.00 . A A . 15 ASN HD22 1 1 10 4044 1 1 15 ASN N N 3.917 3.112 -2.730 1.00 . A A . 15 ASN N 1 1 10 4045 1 1 15 ASN ND2 N 2.090 6.121 -3.480 1.00 . A A . 15 ASN ND2 1 1 10 4046 1 1 15 ASN O O 2.455 3.801 0.125 1.00 . A A . 15 ASN O 1 1 10 4047 1 1 15 ASN OD1 O 1.335 4.730 -1.887 1.00 . A A . 15 ASN OD1 1 1 10 4048 1 1 16 VAL C C 3.132 2.544 2.455 1.00 . A A . 16 VAL C 1 1 10 4049 1 1 16 VAL CA C 3.561 1.567 1.364 1.00 . A A . 16 VAL CA 1 1 10 4050 1 1 16 VAL CB C 4.590 0.584 1.951 1.00 . A A . 16 VAL CB 1 1 10 4051 1 1 16 VAL CG1 C 3.957 -0.265 3.043 1.00 . A A . 16 VAL CG1 1 1 10 4052 1 1 16 VAL CG2 C 5.177 -0.294 0.856 1.00 . A A . 16 VAL CG2 1 1 10 4053 1 1 16 VAL H H 4.917 1.926 -0.222 1.00 . A A . 16 VAL H 1 1 10 4054 1 1 16 VAL HA H 2.700 1.000 1.048 1.00 . A A . 16 VAL HA 1 1 10 4055 1 1 16 VAL HB H 5.390 1.157 2.391 1.00 . A A . 16 VAL HB 1 1 10 4056 1 1 16 VAL HG11 H 2.910 -0.411 2.825 1.00 . A A . 16 VAL HG11 1 1 10 4057 1 1 16 VAL HG12 H 4.061 0.236 3.994 1.00 . A A . 16 VAL HG12 1 1 10 4058 1 1 16 VAL HG13 H 4.453 -1.224 3.086 1.00 . A A . 16 VAL HG13 1 1 10 4059 1 1 16 VAL HG21 H 5.551 -1.209 1.291 1.00 . A A . 16 VAL HG21 1 1 10 4060 1 1 16 VAL HG22 H 5.986 0.230 0.370 1.00 . A A . 16 VAL HG22 1 1 10 4061 1 1 16 VAL HG23 H 4.411 -0.526 0.131 1.00 . A A . 16 VAL HG23 1 1 10 4062 1 1 16 VAL N N 4.095 2.259 0.194 1.00 . A A . 16 VAL N 1 1 10 4063 1 1 16 VAL O O 2.098 2.355 3.096 1.00 . A A . 16 VAL O 1 1 10 4064 1 1 17 LEU C C 2.275 5.244 3.396 1.00 . A A . 17 LEU C 1 1 10 4065 1 1 17 LEU CA C 3.617 4.585 3.681 1.00 . A A . 17 LEU CA 1 1 10 4066 1 1 17 LEU CB C 4.719 5.645 3.744 1.00 . A A . 17 LEU CB 1 1 10 4067 1 1 17 LEU CD1 C 7.144 6.092 4.194 1.00 . A A . 17 LEU CD1 1 1 10 4068 1 1 17 LEU CD2 C 5.622 5.458 6.075 1.00 . A A . 17 LEU CD2 1 1 10 4069 1 1 17 LEU CG C 5.931 5.268 4.597 1.00 . A A . 17 LEU CG 1 1 10 4070 1 1 17 LEU H H 4.740 3.689 2.124 1.00 . A A . 17 LEU H 1 1 10 4071 1 1 17 LEU HA H 3.559 4.081 4.627 1.00 . A A . 17 LEU HA 1 1 10 4072 1 1 17 LEU HB2 H 5.059 5.841 2.738 1.00 . A A . 17 LEU HB2 1 1 10 4073 1 1 17 LEU HB3 H 4.294 6.552 4.145 1.00 . A A . 17 LEU HB3 1 1 10 4074 1 1 17 LEU HD11 H 7.982 5.831 4.824 1.00 . A A . 17 LEU HD11 1 1 10 4075 1 1 17 LEU HD12 H 6.920 7.142 4.311 1.00 . A A . 17 LEU HD12 1 1 10 4076 1 1 17 LEU HD13 H 7.391 5.889 3.163 1.00 . A A . 17 LEU HD13 1 1 10 4077 1 1 17 LEU HD21 H 4.926 6.274 6.195 1.00 . A A . 17 LEU HD21 1 1 10 4078 1 1 17 LEU HD22 H 6.534 5.681 6.608 1.00 . A A . 17 LEU HD22 1 1 10 4079 1 1 17 LEU HD23 H 5.187 4.552 6.470 1.00 . A A . 17 LEU HD23 1 1 10 4080 1 1 17 LEU HG H 6.168 4.226 4.435 1.00 . A A . 17 LEU HG 1 1 10 4081 1 1 17 LEU N N 3.928 3.588 2.663 1.00 . A A . 17 LEU N 1 1 10 4082 1 1 17 LEU O O 1.519 5.567 4.312 1.00 . A A . 17 LEU O 1 1 10 4083 1 1 18 ASN C C -0.418 5.043 1.821 1.00 . A A . 18 ASN C 1 1 10 4084 1 1 18 ASN CA C 0.732 6.034 1.692 1.00 . A A . 18 ASN CA 1 1 10 4085 1 1 18 ASN CB C 0.841 6.528 0.248 1.00 . A A . 18 ASN CB 1 1 10 4086 1 1 18 ASN CG C 0.593 8.019 0.126 1.00 . A A . 18 ASN CG 1 1 10 4087 1 1 18 ASN H H 2.631 5.136 1.443 1.00 . A A . 18 ASN H 1 1 10 4088 1 1 18 ASN HA H 0.537 6.875 2.338 1.00 . A A . 18 ASN HA 1 1 10 4089 1 1 18 ASN HB2 H 1.831 6.316 -0.124 1.00 . A A . 18 ASN HB2 1 1 10 4090 1 1 18 ASN HB3 H 0.115 6.010 -0.361 1.00 . A A . 18 ASN HB3 1 1 10 4091 1 1 18 ASN HD21 H 2.518 8.391 0.457 1.00 . A A . 18 ASN HD21 1 1 10 4092 1 1 18 ASN HD22 H 1.519 9.777 0.204 1.00 . A A . 18 ASN HD22 1 1 10 4093 1 1 18 ASN N N 1.986 5.426 2.118 1.00 . A A . 18 ASN N 1 1 10 4094 1 1 18 ASN ND2 N 1.650 8.809 0.277 1.00 . A A . 18 ASN ND2 1 1 10 4095 1 1 18 ASN O O -1.548 5.419 2.131 1.00 . A A . 18 ASN O 1 1 10 4096 1 1 18 ASN OD1 O -0.534 8.456 -0.103 1.00 . A A . 18 ASN OD1 1 1 10 4097 1 1 19 HIS C C -1.444 2.379 3.106 1.00 . A A . 19 HIS C 1 1 10 4098 1 1 19 HIS CA C -1.120 2.718 1.651 1.00 . A A . 19 HIS CA 1 1 10 4099 1 1 19 HIS CB C -0.634 1.471 0.895 1.00 . A A . 19 HIS CB 1 1 10 4100 1 1 19 HIS CD2 C -0.711 -0.757 2.196 1.00 . A A . 19 HIS CD2 1 1 10 4101 1 1 19 HIS CE1 C -2.726 -1.344 1.630 1.00 . A A . 19 HIS CE1 1 1 10 4102 1 1 19 HIS CG C -1.238 0.185 1.376 1.00 . A A . 19 HIS CG 1 1 10 4103 1 1 19 HIS H H 0.802 3.542 1.327 1.00 . A A . 19 HIS H 1 1 10 4104 1 1 19 HIS HA H -2.014 3.086 1.176 1.00 . A A . 19 HIS HA 1 1 10 4105 1 1 19 HIS HB2 H -0.876 1.578 -0.151 1.00 . A A . 19 HIS HB2 1 1 10 4106 1 1 19 HIS HB3 H 0.438 1.394 1.001 1.00 . A A . 19 HIS HB3 1 1 10 4107 1 1 19 HIS HD2 H 0.265 -0.743 2.650 1.00 . A A . 19 HIS HD2 1 1 10 4108 1 1 19 HIS HE1 H -3.661 -1.881 1.584 1.00 . A A . 19 HIS HE1 1 1 10 4109 1 1 19 HIS HE2 H -1.521 -2.617 2.736 1.00 . A A . 19 HIS HE2 1 1 10 4110 1 1 19 HIS N N -0.117 3.773 1.573 1.00 . A A . 19 HIS N 1 1 10 4111 1 1 19 HIS ND1 N -2.509 -0.197 1.022 1.00 . A A . 19 HIS ND1 1 1 10 4112 1 1 19 HIS NE2 N -1.665 -1.728 2.352 1.00 . A A . 19 HIS NE2 1 1 10 4113 1 1 19 HIS O O -2.588 2.500 3.540 1.00 . A A . 19 HIS O 1 1 10 4114 1 1 20 MET C C -1.255 2.739 6.044 1.00 . A A . 20 MET C 1 1 10 4115 1 1 20 MET CA C -0.623 1.594 5.256 1.00 . A A . 20 MET CA 1 1 10 4116 1 1 20 MET CB C 0.714 1.203 5.888 1.00 . A A . 20 MET CB 1 1 10 4117 1 1 20 MET CE C 3.337 -1.766 6.220 1.00 . A A . 20 MET CE 1 1 10 4118 1 1 20 MET CG C 1.063 -0.266 5.712 1.00 . A A . 20 MET CG 1 1 10 4119 1 1 20 MET H H 0.457 1.873 3.455 1.00 . A A . 20 MET H 1 1 10 4120 1 1 20 MET HA H -1.288 0.745 5.291 1.00 . A A . 20 MET HA 1 1 10 4121 1 1 20 MET HB2 H 1.498 1.793 5.439 1.00 . A A . 20 MET HB2 1 1 10 4122 1 1 20 MET HB3 H 0.675 1.417 6.946 1.00 . A A . 20 MET HB3 1 1 10 4123 1 1 20 MET HE1 H 3.091 -1.829 5.171 1.00 . A A . 20 MET HE1 1 1 10 4124 1 1 20 MET HE2 H 3.456 -2.762 6.623 1.00 . A A . 20 MET HE2 1 1 10 4125 1 1 20 MET HE3 H 4.259 -1.217 6.342 1.00 . A A . 20 MET HE3 1 1 10 4126 1 1 20 MET HG2 H 0.148 -0.832 5.627 1.00 . A A . 20 MET HG2 1 1 10 4127 1 1 20 MET HG3 H 1.640 -0.379 4.806 1.00 . A A . 20 MET HG3 1 1 10 4128 1 1 20 MET N N -0.434 1.952 3.854 1.00 . A A . 20 MET N 1 1 10 4129 1 1 20 MET O O -1.861 2.521 7.093 1.00 . A A . 20 MET O 1 1 10 4130 1 1 20 MET SD S 2.020 -0.923 7.092 1.00 . A A . 20 MET SD 1 1 10 4131 1 1 21 THR C C -3.194 5.126 6.150 1.00 . A A . 21 THR C 1 1 10 4132 1 1 21 THR CA C -1.663 5.132 6.198 1.00 . A A . 21 THR CA 1 1 10 4133 1 1 21 THR CB C -1.100 6.411 5.556 1.00 . A A . 21 THR CB 1 1 10 4134 1 1 21 THR CG2 C -2.141 7.474 5.260 1.00 . A A . 21 THR CG2 1 1 10 4135 1 1 21 THR H H -0.614 4.074 4.701 1.00 . A A . 21 THR H 1 1 10 4136 1 1 21 THR HA H -1.354 5.098 7.230 1.00 . A A . 21 THR HA 1 1 10 4137 1 1 21 THR HB H -0.623 6.148 4.622 1.00 . A A . 21 THR HB 1 1 10 4138 1 1 21 THR HG1 H 0.298 7.728 5.937 1.00 . A A . 21 THR HG1 1 1 10 4139 1 1 21 THR HG21 H -2.629 7.766 6.178 1.00 . A A . 21 THR HG21 1 1 10 4140 1 1 21 THR HG22 H -2.874 7.077 4.573 1.00 . A A . 21 THR HG22 1 1 10 4141 1 1 21 THR HG23 H -1.662 8.334 4.817 1.00 . A A . 21 THR HG23 1 1 10 4142 1 1 21 THR N N -1.109 3.959 5.536 1.00 . A A . 21 THR N 1 1 10 4143 1 1 21 THR O O -3.847 5.807 6.940 1.00 . A A . 21 THR O 1 1 10 4144 1 1 21 THR OG1 O -0.125 7.000 6.398 1.00 . A A . 21 THR OG1 1 1 10 4145 1 1 22 HIS C C -5.716 2.857 4.973 1.00 . A A . 22 HIS C 1 1 10 4146 1 1 22 HIS CA C -5.215 4.293 5.078 1.00 . A A . 22 HIS CA 1 1 10 4147 1 1 22 HIS CB C -5.671 5.076 3.845 1.00 . A A . 22 HIS CB 1 1 10 4148 1 1 22 HIS CD2 C -4.712 3.338 2.142 1.00 . A A . 22 HIS CD2 1 1 10 4149 1 1 22 HIS CE1 C -4.335 4.716 0.484 1.00 . A A . 22 HIS CE1 1 1 10 4150 1 1 22 HIS CG C -5.091 4.581 2.549 1.00 . A A . 22 HIS CG 1 1 10 4151 1 1 22 HIS H H -3.192 3.848 4.609 1.00 . A A . 22 HIS H 1 1 10 4152 1 1 22 HIS HA H -5.651 4.747 5.955 1.00 . A A . 22 HIS HA 1 1 10 4153 1 1 22 HIS HB2 H -6.746 5.015 3.768 1.00 . A A . 22 HIS HB2 1 1 10 4154 1 1 22 HIS HB3 H -5.384 6.111 3.962 1.00 . A A . 22 HIS HB3 1 1 10 4155 1 1 22 HIS HD1 H -5.008 6.382 1.461 1.00 . A A . 22 HIS HD1 1 1 10 4156 1 1 22 HIS HD2 H -4.770 2.418 2.714 1.00 . A A . 22 HIS HD2 1 1 10 4157 1 1 22 HIS HE1 H -4.050 5.108 -0.483 1.00 . A A . 22 HIS HE1 1 1 10 4158 1 1 22 HIS HE2 H -3.686 2.789 0.413 1.00 . A A . 22 HIS HE2 1 1 10 4159 1 1 22 HIS N N -3.761 4.364 5.217 1.00 . A A . 22 HIS N 1 1 10 4160 1 1 22 HIS ND1 N -4.840 5.417 1.482 1.00 . A A . 22 HIS ND1 1 1 10 4161 1 1 22 HIS NE2 N -4.244 3.455 0.858 1.00 . A A . 22 HIS NE2 1 1 10 4162 1 1 22 HIS O O -6.921 2.611 5.020 1.00 . A A . 22 HIS O 1 1 10 4163 1 1 23 CYS C C -4.678 -0.305 5.834 1.00 . A A . 23 CYS C 1 1 10 4164 1 1 23 CYS CA C -5.165 0.526 4.650 1.00 . A A . 23 CYS CA 1 1 10 4165 1 1 23 CYS CB C -4.560 0.016 3.353 1.00 . A A . 23 CYS CB 1 1 10 4166 1 1 23 CYS H H -3.859 2.156 4.737 1.00 . A A . 23 CYS H 1 1 10 4167 1 1 23 CYS HA H -6.241 0.462 4.588 1.00 . A A . 23 CYS HA 1 1 10 4168 1 1 23 CYS HB2 H -3.703 0.626 3.108 1.00 . A A . 23 CYS HB2 1 1 10 4169 1 1 23 CYS HB3 H -4.235 -0.995 3.494 1.00 . A A . 23 CYS HB3 1 1 10 4170 1 1 23 CYS N N -4.801 1.915 4.797 1.00 . A A . 23 CYS N 1 1 10 4171 1 1 23 CYS O O -5.299 -1.302 6.201 1.00 . A A . 23 CYS O 1 1 10 4172 1 1 23 CYS SG S -5.690 0.064 1.920 1.00 . A A . 23 CYS SG 1 1 10 4173 1 1 24 GLN C C -2.932 -2.096 7.332 1.00 . A A . 24 GLN C 1 1 10 4174 1 1 24 GLN CA C -2.979 -0.587 7.569 1.00 . A A . 24 GLN CA 1 1 10 4175 1 1 24 GLN CB C -3.772 -0.276 8.843 1.00 . A A . 24 GLN CB 1 1 10 4176 1 1 24 GLN CD C -5.801 -0.829 10.243 1.00 . A A . 24 GLN CD 1 1 10 4177 1 1 24 GLN CG C -5.163 -0.889 8.869 1.00 . A A . 24 GLN CG 1 1 10 4178 1 1 24 GLN H H -3.112 0.914 6.082 1.00 . A A . 24 GLN H 1 1 10 4179 1 1 24 GLN HA H -1.968 -0.228 7.693 1.00 . A A . 24 GLN HA 1 1 10 4180 1 1 24 GLN HB2 H -3.223 -0.649 9.695 1.00 . A A . 24 GLN HB2 1 1 10 4181 1 1 24 GLN HB3 H -3.873 0.796 8.935 1.00 . A A . 24 GLN HB3 1 1 10 4182 1 1 24 GLN HE21 H -7.190 -2.136 9.683 1.00 . A A . 24 GLN HE21 1 1 10 4183 1 1 24 GLN HE22 H -7.307 -1.568 11.310 1.00 . A A . 24 GLN HE22 1 1 10 4184 1 1 24 GLN HG2 H -5.792 -0.353 8.174 1.00 . A A . 24 GLN HG2 1 1 10 4185 1 1 24 GLN HG3 H -5.092 -1.923 8.566 1.00 . A A . 24 GLN HG3 1 1 10 4186 1 1 24 GLN N N -3.560 0.113 6.425 1.00 . A A . 24 GLN N 1 1 10 4187 1 1 24 GLN NE2 N -6.874 -1.588 10.431 1.00 . A A . 24 GLN NE2 1 1 10 4188 1 1 24 GLN O O -3.168 -2.565 6.219 1.00 . A A . 24 GLN O 1 1 10 4189 1 1 24 GLN OE1 O -5.333 -0.110 11.126 1.00 . A A . 24 GLN OE1 1 1 10 4190 1 1 25 ALA C C -1.168 -4.752 7.817 1.00 . A A . 25 ALA C 1 1 10 4191 1 1 25 ALA CA C -2.538 -4.307 8.316 1.00 . A A . 25 ALA CA 1 1 10 4192 1 1 25 ALA CB C -3.640 -4.877 7.429 1.00 . A A . 25 ALA CB 1 1 10 4193 1 1 25 ALA H H -2.444 -2.407 9.247 1.00 . A A . 25 ALA H 1 1 10 4194 1 1 25 ALA HA H -2.682 -4.693 9.315 1.00 . A A . 25 ALA HA 1 1 10 4195 1 1 25 ALA HB1 H -4.507 -4.235 7.476 1.00 . A A . 25 ALA HB1 1 1 10 4196 1 1 25 ALA HB2 H -3.904 -5.865 7.774 1.00 . A A . 25 ALA HB2 1 1 10 4197 1 1 25 ALA HB3 H -3.288 -4.933 6.410 1.00 . A A . 25 ALA HB3 1 1 10 4198 1 1 25 ALA N N -2.622 -2.847 8.390 1.00 . A A . 25 ALA N 1 1 10 4199 1 1 25 ALA O O -1.014 -5.139 6.659 1.00 . A A . 25 ALA O 1 1 10 4200 1 1 26 GLY C C 1.914 -5.753 9.473 1.00 . A A . 26 GLY C 1 1 10 4201 1 1 26 GLY CA C 1.169 -5.095 8.329 1.00 . A A . 26 GLY CA 1 1 10 4202 1 1 26 GLY H H -0.358 -4.378 9.608 1.00 . A A . 26 GLY H 1 1 10 4203 1 1 26 GLY HA2 H 1.111 -5.790 7.504 1.00 . A A . 26 GLY HA2 1 1 10 4204 1 1 26 GLY HA3 H 1.718 -4.221 8.012 1.00 . A A . 26 GLY HA3 1 1 10 4205 1 1 26 GLY N N -0.176 -4.695 8.699 1.00 . A A . 26 GLY N 1 1 10 4206 1 1 26 GLY O O 2.151 -6.961 9.455 1.00 . A A . 26 GLY O 1 1 10 4207 1 1 27 LYS C C 3.092 -4.416 12.728 1.00 . A A . 27 LYS C 1 1 10 4208 1 1 27 LYS CA C 3.008 -5.470 11.629 1.00 . A A . 27 LYS CA 1 1 10 4209 1 1 27 LYS CB C 4.414 -5.914 11.223 1.00 . A A . 27 LYS CB 1 1 10 4210 1 1 27 LYS CD C 5.853 -7.972 11.136 1.00 . A A . 27 LYS CD 1 1 10 4211 1 1 27 LYS CE C 5.653 -9.458 11.385 1.00 . A A . 27 LYS CE 1 1 10 4212 1 1 27 LYS CG C 4.910 -7.134 11.983 1.00 . A A . 27 LYS CG 1 1 10 4213 1 1 27 LYS H H 2.067 -4.003 10.427 1.00 . A A . 27 LYS H 1 1 10 4214 1 1 27 LYS HA H 2.465 -6.324 12.007 1.00 . A A . 27 LYS HA 1 1 10 4215 1 1 27 LYS HB2 H 4.414 -6.150 10.169 1.00 . A A . 27 LYS HB2 1 1 10 4216 1 1 27 LYS HB3 H 5.102 -5.101 11.402 1.00 . A A . 27 LYS HB3 1 1 10 4217 1 1 27 LYS HD2 H 5.667 -7.764 10.093 1.00 . A A . 27 LYS HD2 1 1 10 4218 1 1 27 LYS HD3 H 6.872 -7.709 11.381 1.00 . A A . 27 LYS HD3 1 1 10 4219 1 1 27 LYS HE2 H 4.609 -9.697 11.241 1.00 . A A . 27 LYS HE2 1 1 10 4220 1 1 27 LYS HE3 H 6.249 -10.013 10.675 1.00 . A A . 27 LYS HE3 1 1 10 4221 1 1 27 LYS HG2 H 5.433 -6.805 12.869 1.00 . A A . 27 LYS HG2 1 1 10 4222 1 1 27 LYS HG3 H 4.061 -7.738 12.267 1.00 . A A . 27 LYS HG3 1 1 10 4223 1 1 27 LYS HZ1 H 5.423 -10.597 13.121 1.00 . A A . 27 LYS HZ1 1 1 10 4224 1 1 27 LYS HZ2 H 5.993 -9.029 13.401 1.00 . A A . 27 LYS HZ2 1 1 10 4225 1 1 27 LYS HZ3 H 7.030 -10.205 12.766 1.00 . A A . 27 LYS HZ3 1 1 10 4226 1 1 27 LYS N N 2.285 -4.958 10.471 1.00 . A A . 27 LYS N 1 1 10 4227 1 1 27 LYS NZ N 6.053 -9.850 12.765 1.00 . A A . 27 LYS NZ 1 1 10 4228 1 1 27 LYS O O 2.213 -4.414 13.614 1.00 . A A . 27 LYS O 1 1 10 4229 1 1 27 LYS OXT O 4.039 -3.601 12.693 1.00 . A A . 27 LYS OXT 1 1 10 4230 2 2 1 ZN ZN ZN -4.273 -0.026 0.105 1.00 . B A . 28 ZN ZN 1 1 11 4231 1 1 1 GLU C C 1.316 -2.812 1.066 1.00 . A A . 1 GLU C 1 1 11 4232 1 1 1 GLU CA C 2.244 -3.028 2.254 1.00 . A A . 1 GLU CA 1 1 11 4233 1 1 1 GLU CB C 3.154 -4.231 2.003 1.00 . A A . 1 GLU CB 1 1 11 4234 1 1 1 GLU CD C 4.432 -5.032 4.030 1.00 . A A . 1 GLU CD 1 1 11 4235 1 1 1 GLU CG C 4.461 -4.178 2.777 1.00 . A A . 1 GLU CG 1 1 11 4236 1 1 1 GLU H1 H 2.156 -3.412 4.273 1.00 . A A . 1 GLU H1 1 1 11 4237 1 1 1 GLU H2 H 0.887 -4.114 3.355 1.00 . A A . 1 GLU H2 1 1 11 4238 1 1 1 GLU H3 H 0.885 -2.428 3.678 1.00 . A A . 1 GLU H3 1 1 11 4239 1 1 1 GLU HA H 2.850 -2.144 2.386 1.00 . A A . 1 GLU HA 1 1 11 4240 1 1 1 GLU HB2 H 2.629 -5.131 2.287 1.00 . A A . 1 GLU HB2 1 1 11 4241 1 1 1 GLU HB3 H 3.387 -4.279 0.949 1.00 . A A . 1 GLU HB3 1 1 11 4242 1 1 1 GLU HG2 H 5.258 -4.530 2.139 1.00 . A A . 1 GLU HG2 1 1 11 4243 1 1 1 GLU HG3 H 4.654 -3.154 3.061 1.00 . A A . 1 GLU HG3 1 1 11 4244 1 1 1 GLU N N 1.474 -3.267 3.502 1.00 . A A . 1 GLU N 1 1 11 4245 1 1 1 GLU O O 0.320 -3.516 0.903 1.00 . A A . 1 GLU O 1 1 11 4246 1 1 1 GLU OE1 O 3.840 -6.131 3.985 1.00 . A A . 1 GLU OE1 1 1 11 4247 1 1 1 GLU OE2 O 5.000 -4.601 5.055 1.00 . A A . 1 GLU OE2 1 1 11 4248 1 1 2 VAL C C 0.872 -2.648 -1.942 1.00 . A A . 2 VAL C 1 1 11 4249 1 1 2 VAL CA C 0.859 -1.504 -0.932 1.00 . A A . 2 VAL CA 1 1 11 4250 1 1 2 VAL CB C 1.374 -0.217 -1.606 1.00 . A A . 2 VAL CB 1 1 11 4251 1 1 2 VAL CG1 C 2.740 -0.443 -2.237 1.00 . A A . 2 VAL CG1 1 1 11 4252 1 1 2 VAL CG2 C 0.375 0.284 -2.638 1.00 . A A . 2 VAL CG2 1 1 11 4253 1 1 2 VAL H H 2.460 -1.303 0.432 1.00 . A A . 2 VAL H 1 1 11 4254 1 1 2 VAL HA H -0.158 -1.334 -0.610 1.00 . A A . 2 VAL HA 1 1 11 4255 1 1 2 VAL HB H 1.480 0.539 -0.842 1.00 . A A . 2 VAL HB 1 1 11 4256 1 1 2 VAL HG11 H 2.620 -0.661 -3.288 1.00 . A A . 2 VAL HG11 1 1 11 4257 1 1 2 VAL HG12 H 3.228 -1.275 -1.751 1.00 . A A . 2 VAL HG12 1 1 11 4258 1 1 2 VAL HG13 H 3.342 0.445 -2.119 1.00 . A A . 2 VAL HG13 1 1 11 4259 1 1 2 VAL HG21 H -0.588 -0.169 -2.457 1.00 . A A . 2 VAL HG21 1 1 11 4260 1 1 2 VAL HG22 H 0.718 0.020 -3.628 1.00 . A A . 2 VAL HG22 1 1 11 4261 1 1 2 VAL HG23 H 0.288 1.358 -2.562 1.00 . A A . 2 VAL HG23 1 1 11 4262 1 1 2 VAL N N 1.654 -1.828 0.242 1.00 . A A . 2 VAL N 1 1 11 4263 1 1 2 VAL O O -0.101 -2.861 -2.666 1.00 . A A . 2 VAL O 1 1 11 4264 1 1 3 ARG C C 1.167 -5.636 -2.527 1.00 . A A . 3 ARG C 1 1 11 4265 1 1 3 ARG CA C 2.118 -4.504 -2.902 1.00 . A A . 3 ARG CA 1 1 11 4266 1 1 3 ARG CB C 3.561 -5.013 -2.903 1.00 . A A . 3 ARG CB 1 1 11 4267 1 1 3 ARG CD C 4.592 -5.036 -5.194 1.00 . A A . 3 ARG CD 1 1 11 4268 1 1 3 ARG CG C 4.464 -4.281 -3.881 1.00 . A A . 3 ARG CG 1 1 11 4269 1 1 3 ARG CZ C 6.965 -5.688 -5.316 1.00 . A A . 3 ARG CZ 1 1 11 4270 1 1 3 ARG H H 2.720 -3.162 -1.380 1.00 . A A . 3 ARG H 1 1 11 4271 1 1 3 ARG HA H 1.869 -4.154 -3.893 1.00 . A A . 3 ARG HA 1 1 11 4272 1 1 3 ARG HB2 H 3.972 -4.897 -1.911 1.00 . A A . 3 ARG HB2 1 1 11 4273 1 1 3 ARG HB3 H 3.560 -6.062 -3.162 1.00 . A A . 3 ARG HB3 1 1 11 4274 1 1 3 ARG HD2 H 4.347 -6.074 -5.023 1.00 . A A . 3 ARG HD2 1 1 11 4275 1 1 3 ARG HD3 H 3.896 -4.616 -5.905 1.00 . A A . 3 ARG HD3 1 1 11 4276 1 1 3 ARG HE H 6.095 -4.315 -6.474 1.00 . A A . 3 ARG HE 1 1 11 4277 1 1 3 ARG HG2 H 4.049 -3.304 -4.079 1.00 . A A . 3 ARG HG2 1 1 11 4278 1 1 3 ARG HG3 H 5.445 -4.175 -3.440 1.00 . A A . 3 ARG HG3 1 1 11 4279 1 1 3 ARG HH11 H 5.897 -6.672 -3.908 1.00 . A A . 3 ARG HH11 1 1 11 4280 1 1 3 ARG HH12 H 7.569 -7.112 -4.014 1.00 . A A . 3 ARG HH12 1 1 11 4281 1 1 3 ARG HH21 H 8.293 -4.892 -6.615 1.00 . A A . 3 ARG HH21 1 1 11 4282 1 1 3 ARG HH22 H 8.929 -6.101 -5.550 1.00 . A A . 3 ARG HH22 1 1 11 4283 1 1 3 ARG N N 1.979 -3.381 -1.983 1.00 . A A . 3 ARG N 1 1 11 4284 1 1 3 ARG NE N 5.942 -4.952 -5.746 1.00 . A A . 3 ARG NE 1 1 11 4285 1 1 3 ARG NH1 N 6.796 -6.562 -4.332 1.00 . A A . 3 ARG NH1 1 1 11 4286 1 1 3 ARG NH2 N 8.161 -5.549 -5.873 1.00 . A A . 3 ARG NH2 1 1 11 4287 1 1 3 ARG O O 0.744 -6.413 -3.383 1.00 . A A . 3 ARG O 1 1 11 4288 1 1 4 ALA C C -1.502 -6.255 -0.643 1.00 . A A . 4 ALA C 1 1 11 4289 1 1 4 ALA CA C -0.066 -6.763 -0.757 1.00 . A A . 4 ALA CA 1 1 11 4290 1 1 4 ALA CB C 0.416 -7.291 0.586 1.00 . A A . 4 ALA CB 1 1 11 4291 1 1 4 ALA H H 1.204 -5.076 -0.606 1.00 . A A . 4 ALA H 1 1 11 4292 1 1 4 ALA HA H -0.041 -7.577 -1.465 1.00 . A A . 4 ALA HA 1 1 11 4293 1 1 4 ALA HB1 H 1.489 -7.191 0.647 1.00 . A A . 4 ALA HB1 1 1 11 4294 1 1 4 ALA HB2 H 0.144 -8.332 0.681 1.00 . A A . 4 ALA HB2 1 1 11 4295 1 1 4 ALA HB3 H -0.045 -6.724 1.381 1.00 . A A . 4 ALA HB3 1 1 11 4296 1 1 4 ALA N N 0.835 -5.724 -1.242 1.00 . A A . 4 ALA N 1 1 11 4297 1 1 4 ALA O O -2.387 -6.977 -0.183 1.00 . A A . 4 ALA O 1 1 11 4298 1 1 5 CYS C C -3.960 -5.000 -2.102 1.00 . A A . 5 CYS C 1 1 11 4299 1 1 5 CYS CA C -3.067 -4.429 -1.008 1.00 . A A . 5 CYS CA 1 1 11 4300 1 1 5 CYS CB C -2.995 -2.910 -1.154 1.00 . A A . 5 CYS CB 1 1 11 4301 1 1 5 CYS H H -0.995 -4.485 -1.426 1.00 . A A . 5 CYS H 1 1 11 4302 1 1 5 CYS HA H -3.492 -4.666 -0.045 1.00 . A A . 5 CYS HA 1 1 11 4303 1 1 5 CYS HB2 H -2.195 -2.533 -0.544 1.00 . A A . 5 CYS HB2 1 1 11 4304 1 1 5 CYS HB3 H -2.802 -2.663 -2.187 1.00 . A A . 5 CYS HB3 1 1 11 4305 1 1 5 CYS N N -1.734 -5.015 -1.066 1.00 . A A . 5 CYS N 1 1 11 4306 1 1 5 CYS O O -3.474 -5.551 -3.090 1.00 . A A . 5 CYS O 1 1 11 4307 1 1 5 CYS SG S -4.520 -2.054 -0.656 1.00 . A A . 5 CYS SG 1 1 11 4308 1 1 6 SER C C -7.076 -4.201 -3.456 1.00 . A A . 6 SER C 1 1 11 4309 1 1 6 SER CA C -6.230 -5.345 -2.903 1.00 . A A . 6 SER CA 1 1 11 4310 1 1 6 SER CB C -7.134 -6.405 -2.271 1.00 . A A . 6 SER CB 1 1 11 4311 1 1 6 SER H H -5.595 -4.401 -1.121 1.00 . A A . 6 SER H 1 1 11 4312 1 1 6 SER HA H -5.677 -5.794 -3.715 1.00 . A A . 6 SER HA 1 1 11 4313 1 1 6 SER HB2 H -7.216 -6.220 -1.211 1.00 . A A . 6 SER HB2 1 1 11 4314 1 1 6 SER HB3 H -8.114 -6.354 -2.723 1.00 . A A . 6 SER HB3 1 1 11 4315 1 1 6 SER HG H -6.849 -8.021 -3.342 1.00 . A A . 6 SER HG 1 1 11 4316 1 1 6 SER N N -5.268 -4.855 -1.925 1.00 . A A . 6 SER N 1 1 11 4317 1 1 6 SER O O -8.154 -4.427 -4.005 1.00 . A A . 6 SER O 1 1 11 4318 1 1 6 SER OG O -6.609 -7.707 -2.467 1.00 . A A . 6 SER OG 1 1 11 4319 1 1 7 LEU C C -6.674 -1.245 -5.067 1.00 . A A . 7 LEU C 1 1 11 4320 1 1 7 LEU CA C -7.311 -1.800 -3.795 1.00 . A A . 7 LEU CA 1 1 11 4321 1 1 7 LEU CB C -7.351 -0.711 -2.722 1.00 . A A . 7 LEU CB 1 1 11 4322 1 1 7 LEU CD1 C -7.317 -0.629 -0.211 1.00 . A A . 7 LEU CD1 1 1 11 4323 1 1 7 LEU CD2 C -9.494 -0.504 -1.438 1.00 . A A . 7 LEU CD2 1 1 11 4324 1 1 7 LEU CG C -8.091 -1.093 -1.437 1.00 . A A . 7 LEU CG 1 1 11 4325 1 1 7 LEU H H -5.720 -2.845 -2.858 1.00 . A A . 7 LEU H 1 1 11 4326 1 1 7 LEU HA H -8.321 -2.109 -4.017 1.00 . A A . 7 LEU HA 1 1 11 4327 1 1 7 LEU HB2 H -6.334 -0.449 -2.466 1.00 . A A . 7 LEU HB2 1 1 11 4328 1 1 7 LEU HB3 H -7.832 0.159 -3.142 1.00 . A A . 7 LEU HB3 1 1 11 4329 1 1 7 LEU HD11 H -6.946 -1.489 0.326 1.00 . A A . 7 LEU HD11 1 1 11 4330 1 1 7 LEU HD12 H -7.969 -0.057 0.433 1.00 . A A . 7 LEU HD12 1 1 11 4331 1 1 7 LEU HD13 H -6.486 -0.012 -0.520 1.00 . A A . 7 LEU HD13 1 1 11 4332 1 1 7 LEU HD21 H -9.435 0.568 -1.325 1.00 . A A . 7 LEU HD21 1 1 11 4333 1 1 7 LEU HD22 H -10.061 -0.922 -0.619 1.00 . A A . 7 LEU HD22 1 1 11 4334 1 1 7 LEU HD23 H -9.983 -0.741 -2.372 1.00 . A A . 7 LEU HD23 1 1 11 4335 1 1 7 LEU HG H -8.179 -2.168 -1.388 1.00 . A A . 7 LEU HG 1 1 11 4336 1 1 7 LEU N N -6.586 -2.970 -3.307 1.00 . A A . 7 LEU N 1 1 11 4337 1 1 7 LEU O O -5.452 -1.255 -5.214 1.00 . A A . 7 LEU O 1 1 11 4338 1 1 8 PRO C C -6.669 1.303 -7.134 1.00 . A A . 8 PRO C 1 1 11 4339 1 1 8 PRO CA C -7.018 -0.177 -7.262 1.00 . A A . 8 PRO CA 1 1 11 4340 1 1 8 PRO CB C -8.218 -0.366 -8.184 1.00 . A A . 8 PRO CB 1 1 11 4341 1 1 8 PRO CD C -8.971 -0.688 -5.915 1.00 . A A . 8 PRO CD 1 1 11 4342 1 1 8 PRO CG C -9.403 -0.224 -7.287 1.00 . A A . 8 PRO CG 1 1 11 4343 1 1 8 PRO HA H -6.169 -0.721 -7.649 1.00 . A A . 8 PRO HA 1 1 11 4344 1 1 8 PRO HB2 H -8.208 0.393 -8.953 1.00 . A A . 8 PRO HB2 1 1 11 4345 1 1 8 PRO HB3 H -8.180 -1.346 -8.634 1.00 . A A . 8 PRO HB3 1 1 11 4346 1 1 8 PRO HD2 H -9.282 0.022 -5.163 1.00 . A A . 8 PRO HD2 1 1 11 4347 1 1 8 PRO HD3 H -9.380 -1.664 -5.702 1.00 . A A . 8 PRO HD3 1 1 11 4348 1 1 8 PRO HG2 H -9.710 0.811 -7.250 1.00 . A A . 8 PRO HG2 1 1 11 4349 1 1 8 PRO HG3 H -10.212 -0.841 -7.651 1.00 . A A . 8 PRO HG3 1 1 11 4350 1 1 8 PRO N N -7.499 -0.744 -6.005 1.00 . A A . 8 PRO N 1 1 11 4351 1 1 8 PRO O O -7.032 2.113 -7.987 1.00 . A A . 8 PRO O 1 1 11 4352 1 1 9 HIS C C -4.149 3.093 -5.271 1.00 . A A . 9 HIS C 1 1 11 4353 1 1 9 HIS CA C -5.570 3.030 -5.812 1.00 . A A . 9 HIS CA 1 1 11 4354 1 1 9 HIS CB C -6.521 3.683 -4.808 1.00 . A A . 9 HIS CB 1 1 11 4355 1 1 9 HIS CD2 C -5.314 5.878 -4.147 1.00 . A A . 9 HIS CD2 1 1 11 4356 1 1 9 HIS CE1 C -6.807 7.303 -4.889 1.00 . A A . 9 HIS CE1 1 1 11 4357 1 1 9 HIS CG C -6.330 5.162 -4.683 1.00 . A A . 9 HIS CG 1 1 11 4358 1 1 9 HIS H H -5.711 0.958 -5.417 1.00 . A A . 9 HIS H 1 1 11 4359 1 1 9 HIS HA H -5.617 3.568 -6.746 1.00 . A A . 9 HIS HA 1 1 11 4360 1 1 9 HIS HB2 H -7.540 3.501 -5.112 1.00 . A A . 9 HIS HB2 1 1 11 4361 1 1 9 HIS HB3 H -6.357 3.245 -3.832 1.00 . A A . 9 HIS HB3 1 1 11 4362 1 1 9 HIS HD1 H -8.099 5.874 -5.580 1.00 . A A . 9 HIS HD1 1 1 11 4363 1 1 9 HIS HD2 H -4.418 5.478 -3.693 1.00 . A A . 9 HIS HD2 1 1 11 4364 1 1 9 HIS HE1 H -7.317 8.223 -5.134 1.00 . A A . 9 HIS HE1 1 1 11 4365 1 1 9 HIS HE2 H -5.130 7.957 -3.912 1.00 . A A . 9 HIS HE2 1 1 11 4366 1 1 9 HIS N N -5.967 1.649 -6.060 1.00 . A A . 9 HIS N 1 1 11 4367 1 1 9 HIS ND1 N -7.249 6.083 -5.139 1.00 . A A . 9 HIS ND1 1 1 11 4368 1 1 9 HIS NE2 N -5.635 7.206 -4.287 1.00 . A A . 9 HIS NE2 1 1 11 4369 1 1 9 HIS O O -3.331 3.895 -5.721 1.00 . A A . 9 HIS O 1 1 11 4370 1 1 10 CYS C C -1.508 1.675 -4.641 1.00 . A A . 10 CYS C 1 1 11 4371 1 1 10 CYS CA C -2.559 2.191 -3.664 1.00 . A A . 10 CYS CA 1 1 11 4372 1 1 10 CYS CB C -2.607 1.300 -2.421 1.00 . A A . 10 CYS CB 1 1 11 4373 1 1 10 CYS H H -4.574 1.637 -3.979 1.00 . A A . 10 CYS H 1 1 11 4374 1 1 10 CYS HA H -2.294 3.194 -3.366 1.00 . A A . 10 CYS HA 1 1 11 4375 1 1 10 CYS HB2 H -2.528 0.268 -2.726 1.00 . A A . 10 CYS HB2 1 1 11 4376 1 1 10 CYS HB3 H -1.773 1.545 -1.780 1.00 . A A . 10 CYS HB3 1 1 11 4377 1 1 10 CYS N N -3.872 2.243 -4.292 1.00 . A A . 10 CYS N 1 1 11 4378 1 1 10 CYS O O -0.361 2.124 -4.627 1.00 . A A . 10 CYS O 1 1 11 4379 1 1 10 CYS SG S -4.135 1.469 -1.436 1.00 . A A . 10 CYS SG 1 1 11 4380 1 1 11 ARG C C -0.624 1.201 -7.530 1.00 . A A . 11 ARG C 1 1 11 4381 1 1 11 ARG CA C -0.993 0.163 -6.475 1.00 . A A . 11 ARG CA 1 1 11 4382 1 1 11 ARG CB C -1.627 -1.058 -7.143 1.00 . A A . 11 ARG CB 1 1 11 4383 1 1 11 ARG CD C -2.197 -3.449 -6.618 1.00 . A A . 11 ARG CD 1 1 11 4384 1 1 11 ARG CG C -2.308 -2.002 -6.165 1.00 . A A . 11 ARG CG 1 1 11 4385 1 1 11 ARG CZ C -0.395 -5.006 -7.250 1.00 . A A . 11 ARG CZ 1 1 11 4386 1 1 11 ARG H H -2.831 0.417 -5.456 1.00 . A A . 11 ARG H 1 1 11 4387 1 1 11 ARG HA H -0.096 -0.144 -5.959 1.00 . A A . 11 ARG HA 1 1 11 4388 1 1 11 ARG HB2 H -2.364 -0.722 -7.857 1.00 . A A . 11 ARG HB2 1 1 11 4389 1 1 11 ARG HB3 H -0.858 -1.609 -7.665 1.00 . A A . 11 ARG HB3 1 1 11 4390 1 1 11 ARG HD2 H -2.787 -4.066 -5.957 1.00 . A A . 11 ARG HD2 1 1 11 4391 1 1 11 ARG HD3 H -2.582 -3.528 -7.624 1.00 . A A . 11 ARG HD3 1 1 11 4392 1 1 11 ARG HE H -0.166 -3.408 -6.078 1.00 . A A . 11 ARG HE 1 1 11 4393 1 1 11 ARG HG2 H -1.840 -1.901 -5.198 1.00 . A A . 11 ARG HG2 1 1 11 4394 1 1 11 ARG HG3 H -3.352 -1.736 -6.091 1.00 . A A . 11 ARG HG3 1 1 11 4395 1 1 11 ARG HH11 H -2.207 -5.462 -8.025 1.00 . A A . 11 ARG HH11 1 1 11 4396 1 1 11 ARG HH12 H -0.923 -6.542 -8.455 1.00 . A A . 11 ARG HH12 1 1 11 4397 1 1 11 ARG HH21 H 1.524 -4.826 -6.642 1.00 . A A . 11 ARG HH21 1 1 11 4398 1 1 11 ARG HH22 H 1.195 -6.181 -7.669 1.00 . A A . 11 ARG HH22 1 1 11 4399 1 1 11 ARG N N -1.904 0.733 -5.490 1.00 . A A . 11 ARG N 1 1 11 4400 1 1 11 ARG NE N -0.815 -3.923 -6.601 1.00 . A A . 11 ARG NE 1 1 11 4401 1 1 11 ARG NH1 N -1.245 -5.729 -7.969 1.00 . A A . 11 ARG NH1 1 1 11 4402 1 1 11 ARG NH2 N 0.879 -5.367 -7.182 1.00 . A A . 11 ARG NH2 1 1 11 4403 1 1 11 ARG O O -1.240 1.268 -8.593 1.00 . A A . 11 ARG O 1 1 11 4404 1 1 12 THR C C 2.354 3.022 -8.298 1.00 . A A . 12 THR C 1 1 11 4405 1 1 12 THR CA C 0.834 3.052 -8.142 1.00 . A A . 12 THR CA 1 1 11 4406 1 1 12 THR CB C 0.379 4.425 -7.641 1.00 . A A . 12 THR CB 1 1 11 4407 1 1 12 THR CG2 C 0.849 5.571 -8.512 1.00 . A A . 12 THR CG2 1 1 11 4408 1 1 12 THR H H 0.833 1.912 -6.359 1.00 . A A . 12 THR H 1 1 11 4409 1 1 12 THR HA H 0.382 2.863 -9.104 1.00 . A A . 12 THR HA 1 1 11 4410 1 1 12 THR HB H 0.776 4.579 -6.647 1.00 . A A . 12 THR HB 1 1 11 4411 1 1 12 THR HG1 H -1.296 5.301 -7.130 1.00 . A A . 12 THR HG1 1 1 11 4412 1 1 12 THR HG21 H -0.006 6.052 -8.965 1.00 . A A . 12 THR HG21 1 1 11 4413 1 1 12 THR HG22 H 1.501 5.192 -9.285 1.00 . A A . 12 THR HG22 1 1 11 4414 1 1 12 THR HG23 H 1.385 6.286 -7.907 1.00 . A A . 12 THR HG23 1 1 11 4415 1 1 12 THR N N 0.384 2.012 -7.225 1.00 . A A . 12 THR N 1 1 11 4416 1 1 12 THR O O 2.877 2.436 -9.245 1.00 . A A . 12 THR O 1 1 11 4417 1 1 12 THR OG1 O -1.034 4.490 -7.571 1.00 . A A . 12 THR OG1 1 1 11 4418 1 1 13 MET C C 5.107 2.838 -6.275 1.00 . A A . 13 MET C 1 1 11 4419 1 1 13 MET CA C 4.513 3.692 -7.392 1.00 . A A . 13 MET CA 1 1 11 4420 1 1 13 MET CB C 5.008 5.134 -7.266 1.00 . A A . 13 MET CB 1 1 11 4421 1 1 13 MET CE C 4.614 8.221 -10.046 1.00 . A A . 13 MET CE 1 1 11 4422 1 1 13 MET CG C 4.419 6.072 -8.306 1.00 . A A . 13 MET CG 1 1 11 4423 1 1 13 MET H H 2.586 4.098 -6.626 1.00 . A A . 13 MET H 1 1 11 4424 1 1 13 MET HA H 4.834 3.293 -8.343 1.00 . A A . 13 MET HA 1 1 11 4425 1 1 13 MET HB2 H 4.746 5.507 -6.287 1.00 . A A . 13 MET HB2 1 1 11 4426 1 1 13 MET HB3 H 6.083 5.144 -7.370 1.00 . A A . 13 MET HB3 1 1 11 4427 1 1 13 MET HE1 H 4.227 7.473 -10.723 1.00 . A A . 13 MET HE1 1 1 11 4428 1 1 13 MET HE2 H 5.264 8.893 -10.586 1.00 . A A . 13 MET HE2 1 1 11 4429 1 1 13 MET HE3 H 3.793 8.779 -9.619 1.00 . A A . 13 MET HE3 1 1 11 4430 1 1 13 MET HG2 H 4.202 5.507 -9.200 1.00 . A A . 13 MET HG2 1 1 11 4431 1 1 13 MET HG3 H 3.504 6.492 -7.916 1.00 . A A . 13 MET HG3 1 1 11 4432 1 1 13 MET N N 3.057 3.653 -7.360 1.00 . A A . 13 MET N 1 1 11 4433 1 1 13 MET O O 6.316 2.855 -6.051 1.00 . A A . 13 MET O 1 1 11 4434 1 1 13 MET SD S 5.537 7.421 -8.736 1.00 . A A . 13 MET SD 1 1 11 4435 1 1 14 LYS C C 4.915 2.032 -3.201 1.00 . A A . 14 LYS C 1 1 11 4436 1 1 14 LYS CA C 4.672 1.227 -4.478 1.00 . A A . 14 LYS CA 1 1 11 4437 1 1 14 LYS CB C 5.921 0.413 -4.873 1.00 . A A . 14 LYS CB 1 1 11 4438 1 1 14 LYS CD C 7.819 0.253 -3.223 1.00 . A A . 14 LYS CD 1 1 11 4439 1 1 14 LYS CE C 8.495 1.196 -2.241 1.00 . A A . 14 LYS CE 1 1 11 4440 1 1 14 LYS CG C 7.252 1.005 -4.417 1.00 . A A . 14 LYS CG 1 1 11 4441 1 1 14 LYS H H 3.292 2.129 -5.806 1.00 . A A . 14 LYS H 1 1 11 4442 1 1 14 LYS HA H 3.862 0.537 -4.287 1.00 . A A . 14 LYS HA 1 1 11 4443 1 1 14 LYS HB2 H 5.835 -0.576 -4.448 1.00 . A A . 14 LYS HB2 1 1 11 4444 1 1 14 LYS HB3 H 5.945 0.324 -5.949 1.00 . A A . 14 LYS HB3 1 1 11 4445 1 1 14 LYS HD2 H 7.015 -0.260 -2.717 1.00 . A A . 14 LYS HD2 1 1 11 4446 1 1 14 LYS HD3 H 8.544 -0.467 -3.574 1.00 . A A . 14 LYS HD3 1 1 11 4447 1 1 14 LYS HE2 H 8.007 2.158 -2.290 1.00 . A A . 14 LYS HE2 1 1 11 4448 1 1 14 LYS HE3 H 8.392 0.792 -1.244 1.00 . A A . 14 LYS HE3 1 1 11 4449 1 1 14 LYS HG2 H 7.958 0.944 -5.232 1.00 . A A . 14 LYS HG2 1 1 11 4450 1 1 14 LYS HG3 H 7.105 2.039 -4.144 1.00 . A A . 14 LYS HG3 1 1 11 4451 1 1 14 LYS HZ1 H 10.326 0.504 -2.972 1.00 . A A . 14 LYS HZ1 1 1 11 4452 1 1 14 LYS HZ2 H 10.469 1.578 -1.673 1.00 . A A . 14 LYS HZ2 1 1 11 4453 1 1 14 LYS HZ3 H 10.074 2.160 -3.211 1.00 . A A . 14 LYS HZ3 1 1 11 4454 1 1 14 LYS N N 4.246 2.094 -5.577 1.00 . A A . 14 LYS N 1 1 11 4455 1 1 14 LYS NZ N 9.942 1.372 -2.546 1.00 . A A . 14 LYS NZ 1 1 11 4456 1 1 14 LYS O O 5.643 1.596 -2.310 1.00 . A A . 14 LYS O 1 1 11 4457 1 1 15 ASN C C 3.786 3.417 -0.728 1.00 . A A . 15 ASN C 1 1 11 4458 1 1 15 ASN CA C 4.434 4.060 -1.949 1.00 . A A . 15 ASN CA 1 1 11 4459 1 1 15 ASN CB C 3.801 5.424 -2.224 1.00 . A A . 15 ASN CB 1 1 11 4460 1 1 15 ASN CG C 2.413 5.311 -2.827 1.00 . A A . 15 ASN CG 1 1 11 4461 1 1 15 ASN H H 3.719 3.499 -3.849 1.00 . A A . 15 ASN H 1 1 11 4462 1 1 15 ASN HA H 5.488 4.193 -1.758 1.00 . A A . 15 ASN HA 1 1 11 4463 1 1 15 ASN HB2 H 3.724 5.966 -1.300 1.00 . A A . 15 ASN HB2 1 1 11 4464 1 1 15 ASN HB3 H 4.428 5.974 -2.910 1.00 . A A . 15 ASN HB3 1 1 11 4465 1 1 15 ASN HD21 H 3.098 5.942 -4.583 1.00 . A A . 15 ASN HD21 1 1 11 4466 1 1 15 ASN HD22 H 1.410 5.583 -4.521 1.00 . A A . 15 ASN HD22 1 1 11 4467 1 1 15 ASN N N 4.292 3.204 -3.115 1.00 . A A . 15 ASN N 1 1 11 4468 1 1 15 ASN ND2 N 2.295 5.646 -4.106 1.00 . A A . 15 ASN ND2 1 1 11 4469 1 1 15 ASN O O 2.704 3.819 -0.300 1.00 . A A . 15 ASN O 1 1 11 4470 1 1 15 ASN OD1 O 1.459 4.927 -2.150 1.00 . A A . 15 ASN OD1 1 1 11 4471 1 1 16 VAL C C 3.564 2.664 2.114 1.00 . A A . 16 VAL C 1 1 11 4472 1 1 16 VAL CA C 3.947 1.700 0.996 1.00 . A A . 16 VAL CA 1 1 11 4473 1 1 16 VAL CB C 4.982 0.696 1.534 1.00 . A A . 16 VAL CB 1 1 11 4474 1 1 16 VAL CG1 C 4.368 -0.175 2.619 1.00 . A A . 16 VAL CG1 1 1 11 4475 1 1 16 VAL CG2 C 5.537 -0.158 0.403 1.00 . A A . 16 VAL CG2 1 1 11 4476 1 1 16 VAL H H 5.309 2.134 -0.565 1.00 . A A . 16 VAL H 1 1 11 4477 1 1 16 VAL HA H 3.070 1.149 0.695 1.00 . A A . 16 VAL HA 1 1 11 4478 1 1 16 VAL HB H 5.796 1.252 1.969 1.00 . A A . 16 VAL HB 1 1 11 4479 1 1 16 VAL HG11 H 4.762 -1.178 2.542 1.00 . A A . 16 VAL HG11 1 1 11 4480 1 1 16 VAL HG12 H 3.295 -0.200 2.498 1.00 . A A . 16 VAL HG12 1 1 11 4481 1 1 16 VAL HG13 H 4.611 0.233 3.589 1.00 . A A . 16 VAL HG13 1 1 11 4482 1 1 16 VAL HG21 H 5.915 -1.086 0.805 1.00 . A A . 16 VAL HG21 1 1 11 4483 1 1 16 VAL HG22 H 6.337 0.374 -0.090 1.00 . A A . 16 VAL HG22 1 1 11 4484 1 1 16 VAL HG23 H 4.752 -0.367 -0.308 1.00 . A A . 16 VAL HG23 1 1 11 4485 1 1 16 VAL N N 4.454 2.410 -0.174 1.00 . A A . 16 VAL N 1 1 11 4486 1 1 16 VAL O O 2.654 2.390 2.896 1.00 . A A . 16 VAL O 1 1 11 4487 1 1 17 LEU C C 2.622 5.422 3.002 1.00 . A A . 17 LEU C 1 1 11 4488 1 1 17 LEU CA C 3.989 4.788 3.215 1.00 . A A . 17 LEU CA 1 1 11 4489 1 1 17 LEU CB C 5.073 5.867 3.215 1.00 . A A . 17 LEU CB 1 1 11 4490 1 1 17 LEU CD1 C 7.544 6.218 3.446 1.00 . A A . 17 LEU CD1 1 1 11 4491 1 1 17 LEU CD2 C 6.129 5.931 5.487 1.00 . A A . 17 LEU CD2 1 1 11 4492 1 1 17 LEU CG C 6.321 5.531 4.032 1.00 . A A . 17 LEU CG 1 1 11 4493 1 1 17 LEU H H 4.978 3.956 1.538 1.00 . A A . 17 LEU H 1 1 11 4494 1 1 17 LEU HA H 3.990 4.288 4.165 1.00 . A A . 17 LEU HA 1 1 11 4495 1 1 17 LEU HB2 H 5.374 6.046 2.193 1.00 . A A . 17 LEU HB2 1 1 11 4496 1 1 17 LEU HB3 H 4.646 6.777 3.611 1.00 . A A . 17 LEU HB3 1 1 11 4497 1 1 17 LEU HD11 H 8.436 5.694 3.757 1.00 . A A . 17 LEU HD11 1 1 11 4498 1 1 17 LEU HD12 H 7.586 7.239 3.796 1.00 . A A . 17 LEU HD12 1 1 11 4499 1 1 17 LEU HD13 H 7.480 6.209 2.368 1.00 . A A . 17 LEU HD13 1 1 11 4500 1 1 17 LEU HD21 H 6.272 6.997 5.589 1.00 . A A . 17 LEU HD21 1 1 11 4501 1 1 17 LEU HD22 H 6.848 5.411 6.102 1.00 . A A . 17 LEU HD22 1 1 11 4502 1 1 17 LEU HD23 H 5.130 5.670 5.803 1.00 . A A . 17 LEU HD23 1 1 11 4503 1 1 17 LEU HG H 6.490 4.464 3.997 1.00 . A A . 17 LEU HG 1 1 11 4504 1 1 17 LEU N N 4.263 3.791 2.187 1.00 . A A . 17 LEU N 1 1 11 4505 1 1 17 LEU O O 1.915 5.742 3.957 1.00 . A A . 17 LEU O 1 1 11 4506 1 1 18 ASN C C -0.159 5.176 1.588 1.00 . A A . 18 ASN C 1 1 11 4507 1 1 18 ASN CA C 0.972 6.179 1.384 1.00 . A A . 18 ASN CA 1 1 11 4508 1 1 18 ASN CB C 0.991 6.657 -0.070 1.00 . A A . 18 ASN CB 1 1 11 4509 1 1 18 ASN CG C 0.758 8.150 -0.192 1.00 . A A . 18 ASN CG 1 1 11 4510 1 1 18 ASN H H 2.867 5.307 1.032 1.00 . A A . 18 ASN H 1 1 11 4511 1 1 18 ASN HA H 0.805 7.025 2.030 1.00 . A A . 18 ASN HA 1 1 11 4512 1 1 18 ASN HB2 H 1.951 6.425 -0.505 1.00 . A A . 18 ASN HB2 1 1 11 4513 1 1 18 ASN HB3 H 0.219 6.144 -0.623 1.00 . A A . 18 ASN HB3 1 1 11 4514 1 1 18 ASN HD21 H -0.801 7.834 -1.384 1.00 . A A . 18 ASN HD21 1 1 11 4515 1 1 18 ASN HD22 H -0.437 9.489 -1.048 1.00 . A A . 18 ASN HD22 1 1 11 4516 1 1 18 ASN N N 2.257 5.591 1.741 1.00 . A A . 18 ASN N 1 1 11 4517 1 1 18 ASN ND2 N -0.263 8.529 -0.951 1.00 . A A . 18 ASN ND2 1 1 11 4518 1 1 18 ASN O O -1.290 5.552 1.895 1.00 . A A . 18 ASN O 1 1 11 4519 1 1 18 ASN OD1 O 1.486 8.953 0.390 1.00 . A A . 18 ASN OD1 1 1 11 4520 1 1 19 HIS C C -1.134 2.576 3.032 1.00 . A A . 19 HIS C 1 1 11 4521 1 1 19 HIS CA C -0.830 2.838 1.556 1.00 . A A . 19 HIS CA 1 1 11 4522 1 1 19 HIS CB C -0.337 1.560 0.860 1.00 . A A . 19 HIS CB 1 1 11 4523 1 1 19 HIS CD2 C -0.318 -0.609 2.261 1.00 . A A . 19 HIS CD2 1 1 11 4524 1 1 19 HIS CE1 C -2.340 -1.262 1.795 1.00 . A A . 19 HIS CE1 1 1 11 4525 1 1 19 HIS CG C -0.897 0.287 1.425 1.00 . A A . 19 HIS CG 1 1 11 4526 1 1 19 HIS H H 1.074 3.667 1.154 1.00 . A A . 19 HIS H 1 1 11 4527 1 1 19 HIS HA H -1.736 3.168 1.074 1.00 . A A . 19 HIS HA 1 1 11 4528 1 1 19 HIS HB2 H -0.608 1.602 -0.183 1.00 . A A . 19 HIS HB2 1 1 11 4529 1 1 19 HIS HB3 H 0.739 1.513 0.941 1.00 . A A . 19 HIS HB3 1 1 11 4530 1 1 19 HIS HD2 H 0.675 -0.556 2.676 1.00 . A A . 19 HIS HD2 1 1 11 4531 1 1 19 HIS HE1 H -3.260 -1.826 1.800 1.00 . A A . 19 HIS HE1 1 1 11 4532 1 1 19 HIS HE2 H -1.064 -2.464 2.904 1.00 . A A . 19 HIS HE2 1 1 11 4533 1 1 19 HIS N N 0.156 3.900 1.404 1.00 . A A . 19 HIS N 1 1 11 4534 1 1 19 HIS ND1 N -2.173 -0.136 1.136 1.00 . A A . 19 HIS ND1 1 1 11 4535 1 1 19 HIS NE2 N -1.244 -1.594 2.491 1.00 . A A . 19 HIS NE2 1 1 11 4536 1 1 19 HIS O O -2.277 2.689 3.468 1.00 . A A . 19 HIS O 1 1 11 4537 1 1 20 MET C C -0.935 3.119 5.945 1.00 . A A . 20 MET C 1 1 11 4538 1 1 20 MET CA C -0.284 1.944 5.220 1.00 . A A . 20 MET CA 1 1 11 4539 1 1 20 MET CB C 1.062 1.612 5.867 1.00 . A A . 20 MET CB 1 1 11 4540 1 1 20 MET CE C 2.884 -1.698 7.197 1.00 . A A . 20 MET CE 1 1 11 4541 1 1 20 MET CG C 1.476 0.159 5.698 1.00 . A A . 20 MET CG 1 1 11 4542 1 1 20 MET H H 0.783 2.145 3.399 1.00 . A A . 20 MET H 1 1 11 4543 1 1 20 MET HA H -0.935 1.089 5.306 1.00 . A A . 20 MET HA 1 1 11 4544 1 1 20 MET HB2 H 1.825 2.235 5.424 1.00 . A A . 20 MET HB2 1 1 11 4545 1 1 20 MET HB3 H 1.003 1.826 6.923 1.00 . A A . 20 MET HB3 1 1 11 4546 1 1 20 MET HE1 H 1.827 -1.915 7.242 1.00 . A A . 20 MET HE1 1 1 11 4547 1 1 20 MET HE2 H 3.275 -1.603 8.199 1.00 . A A . 20 MET HE2 1 1 11 4548 1 1 20 MET HE3 H 3.395 -2.500 6.685 1.00 . A A . 20 MET HE3 1 1 11 4549 1 1 20 MET HG2 H 0.782 -0.465 6.241 1.00 . A A . 20 MET HG2 1 1 11 4550 1 1 20 MET HG3 H 1.437 -0.092 4.648 1.00 . A A . 20 MET HG3 1 1 11 4551 1 1 20 MET N N -0.109 2.223 3.797 1.00 . A A . 20 MET N 1 1 11 4552 1 1 20 MET O O -1.532 2.949 7.008 1.00 . A A . 20 MET O 1 1 11 4553 1 1 20 MET SD S 3.141 -0.164 6.308 1.00 . A A . 20 MET SD 1 1 11 4554 1 1 21 THR C C -2.920 5.422 6.003 1.00 . A A . 21 THR C 1 1 11 4555 1 1 21 THR CA C -1.397 5.506 5.964 1.00 . A A . 21 THR CA 1 1 11 4556 1 1 21 THR CB C -0.950 6.748 5.185 1.00 . A A . 21 THR CB 1 1 11 4557 1 1 21 THR CG2 C -1.882 7.135 4.053 1.00 . A A . 21 THR CG2 1 1 11 4558 1 1 21 THR H H -0.330 4.387 4.523 1.00 . A A . 21 THR H 1 1 11 4559 1 1 21 THR HA H -1.030 5.578 6.975 1.00 . A A . 21 THR HA 1 1 11 4560 1 1 21 THR HB H 0.019 6.551 4.755 1.00 . A A . 21 THR HB 1 1 11 4561 1 1 21 THR HG1 H -0.447 8.602 5.565 1.00 . A A . 21 THR HG1 1 1 11 4562 1 1 21 THR HG21 H -2.593 7.868 4.406 1.00 . A A . 21 THR HG21 1 1 11 4563 1 1 21 THR HG22 H -2.411 6.260 3.706 1.00 . A A . 21 THR HG22 1 1 11 4564 1 1 21 THR HG23 H -1.307 7.554 3.240 1.00 . A A . 21 THR HG23 1 1 11 4565 1 1 21 THR N N -0.818 4.309 5.368 1.00 . A A . 21 THR N 1 1 11 4566 1 1 21 THR O O -3.568 6.070 6.826 1.00 . A A . 21 THR O 1 1 11 4567 1 1 21 THR OG1 O -0.835 7.866 6.046 1.00 . A A . 21 THR OG1 1 1 11 4568 1 1 22 HIS C C -5.366 3.014 5.032 1.00 . A A . 22 HIS C 1 1 11 4569 1 1 22 HIS CA C -4.938 4.478 5.024 1.00 . A A . 22 HIS CA 1 1 11 4570 1 1 22 HIS CB C -5.478 5.150 3.759 1.00 . A A . 22 HIS CB 1 1 11 4571 1 1 22 HIS CD2 C -4.464 3.369 2.139 1.00 . A A . 22 HIS CD2 1 1 11 4572 1 1 22 HIS CE1 C -4.164 4.669 0.404 1.00 . A A . 22 HIS CE1 1 1 11 4573 1 1 22 HIS CG C -4.895 4.613 2.482 1.00 . A A . 22 HIS CG 1 1 11 4574 1 1 22 HIS H H -2.914 4.149 4.464 1.00 . A A . 22 HIS H 1 1 11 4575 1 1 22 HIS HA H -5.366 4.967 5.885 1.00 . A A . 22 HIS HA 1 1 11 4576 1 1 22 HIS HB2 H -6.547 5.011 3.716 1.00 . A A . 22 HIS HB2 1 1 11 4577 1 1 22 HIS HB3 H -5.261 6.207 3.804 1.00 . A A . 22 HIS HB3 1 1 11 4578 1 1 22 HIS HD1 H -4.902 6.354 1.297 1.00 . A A . 22 HIS HD1 1 1 11 4579 1 1 22 HIS HD2 H -4.477 2.480 2.760 1.00 . A A . 22 HIS HD2 1 1 11 4580 1 1 22 HIS HE1 H -3.907 5.018 -0.586 1.00 . A A . 22 HIS HE1 1 1 11 4581 1 1 22 HIS HE2 H -3.425 2.774 0.435 1.00 . A A . 22 HIS HE2 1 1 11 4582 1 1 22 HIS N N -3.486 4.631 5.099 1.00 . A A . 22 HIS N 1 1 11 4583 1 1 22 HIS ND1 N -4.691 5.400 1.369 1.00 . A A . 22 HIS ND1 1 1 11 4584 1 1 22 HIS NE2 N -4.013 3.435 0.846 1.00 . A A . 22 HIS NE2 1 1 11 4585 1 1 22 HIS O O -6.553 2.712 5.154 1.00 . A A . 22 HIS O 1 1 11 4586 1 1 23 CYS C C -4.125 -0.027 6.034 1.00 . A A . 23 CYS C 1 1 11 4587 1 1 23 CYS CA C -4.709 0.699 4.826 1.00 . A A . 23 CYS CA 1 1 11 4588 1 1 23 CYS CB C -4.135 0.137 3.536 1.00 . A A . 23 CYS CB 1 1 11 4589 1 1 23 CYS H H -3.486 2.393 4.748 1.00 . A A . 23 CYS H 1 1 11 4590 1 1 23 CYS HA H -5.780 0.577 4.819 1.00 . A A . 23 CYS HA 1 1 11 4591 1 1 23 CYS HB2 H -3.313 0.762 3.221 1.00 . A A . 23 CYS HB2 1 1 11 4592 1 1 23 CYS HB3 H -3.766 -0.851 3.722 1.00 . A A . 23 CYS HB3 1 1 11 4593 1 1 23 CYS N N -4.411 2.110 4.870 1.00 . A A . 23 CYS N 1 1 11 4594 1 1 23 CYS O O -3.060 0.335 6.534 1.00 . A A . 23 CYS O 1 1 11 4595 1 1 23 CYS SG S -5.322 0.058 2.152 1.00 . A A . 23 CYS SG 1 1 11 4596 1 1 24 GLN C C -4.119 -3.282 7.253 1.00 . A A . 24 GLN C 1 1 11 4597 1 1 24 GLN CA C -4.382 -1.833 7.647 1.00 . A A . 24 GLN CA 1 1 11 4598 1 1 24 GLN CB C -5.426 -1.777 8.765 1.00 . A A . 24 GLN CB 1 1 11 4599 1 1 24 GLN CD C -7.079 -3.384 7.733 1.00 . A A . 24 GLN CD 1 1 11 4600 1 1 24 GLN CG C -6.850 -1.988 8.278 1.00 . A A . 24 GLN CG 1 1 11 4601 1 1 24 GLN H H -5.671 -1.295 6.056 1.00 . A A . 24 GLN H 1 1 11 4602 1 1 24 GLN HA H -3.462 -1.396 8.005 1.00 . A A . 24 GLN HA 1 1 11 4603 1 1 24 GLN HB2 H -5.199 -2.543 9.491 1.00 . A A . 24 GLN HB2 1 1 11 4604 1 1 24 GLN HB3 H -5.371 -0.811 9.244 1.00 . A A . 24 GLN HB3 1 1 11 4605 1 1 24 GLN HE21 H -7.620 -4.026 9.535 1.00 . A A . 24 GLN HE21 1 1 11 4606 1 1 24 GLN HE22 H -7.645 -5.210 8.278 1.00 . A A . 24 GLN HE22 1 1 11 4607 1 1 24 GLN HG2 H -7.527 -1.826 9.104 1.00 . A A . 24 GLN HG2 1 1 11 4608 1 1 24 GLN HG3 H -7.059 -1.273 7.496 1.00 . A A . 24 GLN HG3 1 1 11 4609 1 1 24 GLN N N -4.830 -1.054 6.498 1.00 . A A . 24 GLN N 1 1 11 4610 1 1 24 GLN NE2 N -7.489 -4.299 8.603 1.00 . A A . 24 GLN NE2 1 1 11 4611 1 1 24 GLN O O -4.296 -3.661 6.095 1.00 . A A . 24 GLN O 1 1 11 4612 1 1 24 GLN OE1 O -6.889 -3.637 6.543 1.00 . A A . 24 GLN OE1 1 1 11 4613 1 1 25 ALA C C -1.984 -5.690 7.469 1.00 . A A . 25 ALA C 1 1 11 4614 1 1 25 ALA CA C -3.400 -5.503 8.003 1.00 . A A . 25 ALA CA 1 1 11 4615 1 1 25 ALA CB C -4.415 -6.131 7.055 1.00 . A A . 25 ALA CB 1 1 11 4616 1 1 25 ALA H H -3.574 -3.716 9.128 1.00 . A A . 25 ALA H 1 1 11 4617 1 1 25 ALA HA H -3.477 -6.008 8.955 1.00 . A A . 25 ALA HA 1 1 11 4618 1 1 25 ALA HB1 H -4.651 -7.130 7.391 1.00 . A A . 25 ALA HB1 1 1 11 4619 1 1 25 ALA HB2 H -3.999 -6.175 6.059 1.00 . A A . 25 ALA HB2 1 1 11 4620 1 1 25 ALA HB3 H -5.314 -5.533 7.043 1.00 . A A . 25 ALA HB3 1 1 11 4621 1 1 25 ALA N N -3.694 -4.087 8.228 1.00 . A A . 25 ALA N 1 1 11 4622 1 1 25 ALA O O -1.772 -5.767 6.258 1.00 . A A . 25 ALA O 1 1 11 4623 1 1 26 GLY C C 1.290 -6.137 9.164 1.00 . A A . 26 GLY C 1 1 11 4624 1 1 26 GLY CA C 0.365 -5.941 7.979 1.00 . A A . 26 GLY CA 1 1 11 4625 1 1 26 GLY H H -1.247 -5.695 9.329 1.00 . A A . 26 GLY H 1 1 11 4626 1 1 26 GLY HA2 H 0.434 -6.805 7.336 1.00 . A A . 26 GLY HA2 1 1 11 4627 1 1 26 GLY HA3 H 0.684 -5.069 7.428 1.00 . A A . 26 GLY HA3 1 1 11 4628 1 1 26 GLY N N -1.019 -5.763 8.379 1.00 . A A . 26 GLY N 1 1 11 4629 1 1 26 GLY O O 1.660 -7.264 9.492 1.00 . A A . 26 GLY O 1 1 11 4630 1 1 27 LYS C C 2.007 -4.250 12.110 1.00 . A A . 27 LYS C 1 1 11 4631 1 1 27 LYS CA C 2.554 -5.091 10.962 1.00 . A A . 27 LYS CA 1 1 11 4632 1 1 27 LYS CB C 3.953 -4.604 10.580 1.00 . A A . 27 LYS CB 1 1 11 4633 1 1 27 LYS CD C 5.713 -6.291 11.189 1.00 . A A . 27 LYS CD 1 1 11 4634 1 1 27 LYS CE C 4.899 -7.502 11.615 1.00 . A A . 27 LYS CE 1 1 11 4635 1 1 27 LYS CG C 5.028 -4.993 11.582 1.00 . A A . 27 LYS CG 1 1 11 4636 1 1 27 LYS H H 1.338 -4.166 9.497 1.00 . A A . 27 LYS H 1 1 11 4637 1 1 27 LYS HA H 2.617 -6.120 11.283 1.00 . A A . 27 LYS HA 1 1 11 4638 1 1 27 LYS HB2 H 4.218 -5.023 9.620 1.00 . A A . 27 LYS HB2 1 1 11 4639 1 1 27 LYS HB3 H 3.938 -3.527 10.500 1.00 . A A . 27 LYS HB3 1 1 11 4640 1 1 27 LYS HD2 H 5.836 -6.312 10.116 1.00 . A A . 27 LYS HD2 1 1 11 4641 1 1 27 LYS HD3 H 6.682 -6.334 11.665 1.00 . A A . 27 LYS HD3 1 1 11 4642 1 1 27 LYS HE2 H 4.353 -7.255 12.513 1.00 . A A . 27 LYS HE2 1 1 11 4643 1 1 27 LYS HE3 H 4.202 -7.746 10.827 1.00 . A A . 27 LYS HE3 1 1 11 4644 1 1 27 LYS HG2 H 5.767 -4.207 11.626 1.00 . A A . 27 LYS HG2 1 1 11 4645 1 1 27 LYS HG3 H 4.572 -5.116 12.554 1.00 . A A . 27 LYS HG3 1 1 11 4646 1 1 27 LYS HZ1 H 5.210 -9.431 12.355 1.00 . A A . 27 LYS HZ1 1 1 11 4647 1 1 27 LYS HZ2 H 6.556 -8.417 12.498 1.00 . A A . 27 LYS HZ2 1 1 11 4648 1 1 27 LYS HZ3 H 6.141 -9.062 10.991 1.00 . A A . 27 LYS HZ3 1 1 11 4649 1 1 27 LYS N N 1.666 -5.036 9.807 1.00 . A A . 27 LYS N 1 1 11 4650 1 1 27 LYS NZ N 5.762 -8.685 11.883 1.00 . A A . 27 LYS NZ 1 1 11 4651 1 1 27 LYS O O 1.784 -4.814 13.202 1.00 . A A . 27 LYS O 1 1 11 4652 1 1 27 LYS OXT O 1.806 -3.034 11.909 1.00 . A A . 27 LYS OXT 1 1 11 4653 2 2 1 ZN ZN ZN -3.976 -0.045 0.284 1.00 . B A . 28 ZN ZN 1 1 12 4654 1 1 1 GLU C C 1.046 -2.880 1.279 1.00 . A A . 1 GLU C 1 1 12 4655 1 1 1 GLU CA C 1.843 -3.147 2.548 1.00 . A A . 1 GLU CA 1 1 12 4656 1 1 1 GLU CB C 2.730 -4.380 2.367 1.00 . A A . 1 GLU CB 1 1 12 4657 1 1 1 GLU CD C 4.921 -5.518 2.904 1.00 . A A . 1 GLU CD 1 1 12 4658 1 1 1 GLU CG C 4.039 -4.307 3.137 1.00 . A A . 1 GLU CG 1 1 12 4659 1 1 1 GLU H1 H 0.580 -2.448 4.014 1.00 . A A . 1 GLU H1 1 1 12 4660 1 1 1 GLU H2 H 1.509 -3.818 4.465 1.00 . A A . 1 GLU H2 1 1 12 4661 1 1 1 GLU H3 H 0.174 -3.996 3.401 1.00 . A A . 1 GLU H3 1 1 12 4662 1 1 1 GLU HA H 2.465 -2.288 2.754 1.00 . A A . 1 GLU HA 1 1 12 4663 1 1 1 GLU HB2 H 2.188 -5.252 2.704 1.00 . A A . 1 GLU HB2 1 1 12 4664 1 1 1 GLU HB3 H 2.960 -4.493 1.318 1.00 . A A . 1 GLU HB3 1 1 12 4665 1 1 1 GLU HG2 H 4.576 -3.424 2.825 1.00 . A A . 1 GLU HG2 1 1 12 4666 1 1 1 GLU HG3 H 3.818 -4.238 4.192 1.00 . A A . 1 GLU HG3 1 1 12 4667 1 1 1 GLU N N 0.946 -3.373 3.712 1.00 . A A . 1 GLU N 1 1 12 4668 1 1 1 GLU O O 0.079 -3.580 0.978 1.00 . A A . 1 GLU O 1 1 12 4669 1 1 1 GLU OE1 O 4.384 -6.645 2.867 1.00 . A A . 1 GLU OE1 1 1 12 4670 1 1 1 GLU OE2 O 6.148 -5.339 2.757 1.00 . A A . 1 GLU OE2 1 1 12 4671 1 1 2 VAL C C 0.789 -2.638 -1.694 1.00 . A A . 2 VAL C 1 1 12 4672 1 1 2 VAL CA C 0.794 -1.483 -0.696 1.00 . A A . 2 VAL CA 1 1 12 4673 1 1 2 VAL CB C 1.472 -0.255 -1.333 1.00 . A A . 2 VAL CB 1 1 12 4674 1 1 2 VAL CG1 C 2.854 -0.610 -1.865 1.00 . A A . 2 VAL CG1 1 1 12 4675 1 1 2 VAL CG2 C 0.600 0.327 -2.435 1.00 . A A . 2 VAL CG2 1 1 12 4676 1 1 2 VAL H H 2.237 -1.340 0.841 1.00 . A A . 2 VAL H 1 1 12 4677 1 1 2 VAL HA H -0.226 -1.221 -0.458 1.00 . A A . 2 VAL HA 1 1 12 4678 1 1 2 VAL HB H 1.594 0.495 -0.565 1.00 . A A . 2 VAL HB 1 1 12 4679 1 1 2 VAL HG11 H 2.752 -1.207 -2.760 1.00 . A A . 2 VAL HG11 1 1 12 4680 1 1 2 VAL HG12 H 3.394 -1.172 -1.117 1.00 . A A . 2 VAL HG12 1 1 12 4681 1 1 2 VAL HG13 H 3.394 0.295 -2.095 1.00 . A A . 2 VAL HG13 1 1 12 4682 1 1 2 VAL HG21 H -0.422 0.009 -2.291 1.00 . A A . 2 VAL HG21 1 1 12 4683 1 1 2 VAL HG22 H 0.953 -0.019 -3.395 1.00 . A A . 2 VAL HG22 1 1 12 4684 1 1 2 VAL HG23 H 0.649 1.406 -2.401 1.00 . A A . 2 VAL HG23 1 1 12 4685 1 1 2 VAL N N 1.461 -1.858 0.542 1.00 . A A . 2 VAL N 1 1 12 4686 1 1 2 VAL O O -0.227 -2.916 -2.331 1.00 . A A . 2 VAL O 1 1 12 4687 1 1 3 ARG C C 1.091 -5.551 -2.367 1.00 . A A . 3 ARG C 1 1 12 4688 1 1 3 ARG CA C 2.057 -4.431 -2.741 1.00 . A A . 3 ARG CA 1 1 12 4689 1 1 3 ARG CB C 3.493 -4.957 -2.739 1.00 . A A . 3 ARG CB 1 1 12 4690 1 1 3 ARG CD C 3.834 -6.910 -4.285 1.00 . A A . 3 ARG CD 1 1 12 4691 1 1 3 ARG CG C 3.978 -5.407 -4.108 1.00 . A A . 3 ARG CG 1 1 12 4692 1 1 3 ARG CZ C 2.622 -7.180 -6.414 1.00 . A A . 3 ARG CZ 1 1 12 4693 1 1 3 ARG H H 2.704 -3.037 -1.286 1.00 . A A . 3 ARG H 1 1 12 4694 1 1 3 ARG HA H 1.814 -4.079 -3.732 1.00 . A A . 3 ARG HA 1 1 12 4695 1 1 3 ARG HB2 H 4.150 -4.176 -2.387 1.00 . A A . 3 ARG HB2 1 1 12 4696 1 1 3 ARG HB3 H 3.555 -5.799 -2.065 1.00 . A A . 3 ARG HB3 1 1 12 4697 1 1 3 ARG HD2 H 4.718 -7.288 -4.777 1.00 . A A . 3 ARG HD2 1 1 12 4698 1 1 3 ARG HD3 H 3.742 -7.367 -3.311 1.00 . A A . 3 ARG HD3 1 1 12 4699 1 1 3 ARG HE H 1.863 -7.563 -4.608 1.00 . A A . 3 ARG HE 1 1 12 4700 1 1 3 ARG HG2 H 3.396 -4.907 -4.867 1.00 . A A . 3 ARG HG2 1 1 12 4701 1 1 3 ARG HG3 H 5.019 -5.138 -4.216 1.00 . A A . 3 ARG HG3 1 1 12 4702 1 1 3 ARG HH11 H 4.522 -6.515 -6.610 1.00 . A A . 3 ARG HH11 1 1 12 4703 1 1 3 ARG HH12 H 3.649 -6.714 -8.092 1.00 . A A . 3 ARG HH12 1 1 12 4704 1 1 3 ARG HH21 H 0.712 -7.825 -6.556 1.00 . A A . 3 ARG HH21 1 1 12 4705 1 1 3 ARG HH22 H 1.485 -7.457 -8.062 1.00 . A A . 3 ARG HH22 1 1 12 4706 1 1 3 ARG N N 1.930 -3.306 -1.823 1.00 . A A . 3 ARG N 1 1 12 4707 1 1 3 ARG NE N 2.662 -7.256 -5.086 1.00 . A A . 3 ARG NE 1 1 12 4708 1 1 3 ARG NH1 N 3.685 -6.769 -7.094 1.00 . A A . 3 ARG NH1 1 1 12 4709 1 1 3 ARG NH2 N 1.516 -7.515 -7.064 1.00 . A A . 3 ARG NH2 1 1 12 4710 1 1 3 ARG O O 0.654 -6.318 -3.224 1.00 . A A . 3 ARG O 1 1 12 4711 1 1 4 ALA C C -1.583 -6.152 -0.502 1.00 . A A . 4 ALA C 1 1 12 4712 1 1 4 ALA CA C -0.149 -6.670 -0.597 1.00 . A A . 4 ALA CA 1 1 12 4713 1 1 4 ALA CB C 0.315 -7.191 0.755 1.00 . A A . 4 ALA CB 1 1 12 4714 1 1 4 ALA H H 1.145 -5.002 -0.444 1.00 . A A . 4 ALA H 1 1 12 4715 1 1 4 ALA HA H -0.123 -7.490 -1.298 1.00 . A A . 4 ALA HA 1 1 12 4716 1 1 4 ALA HB1 H 0.965 -8.041 0.609 1.00 . A A . 4 ALA HB1 1 1 12 4717 1 1 4 ALA HB2 H -0.543 -7.489 1.339 1.00 . A A . 4 ALA HB2 1 1 12 4718 1 1 4 ALA HB3 H 0.852 -6.412 1.276 1.00 . A A . 4 ALA HB3 1 1 12 4719 1 1 4 ALA N N 0.764 -5.641 -1.081 1.00 . A A . 4 ALA N 1 1 12 4720 1 1 4 ALA O O -2.481 -6.870 -0.063 1.00 . A A . 4 ALA O 1 1 12 4721 1 1 5 CYS C C -4.004 -4.859 -1.991 1.00 . A A . 5 CYS C 1 1 12 4722 1 1 5 CYS CA C -3.124 -4.307 -0.876 1.00 . A A . 5 CYS CA 1 1 12 4723 1 1 5 CYS CB C -3.035 -2.788 -1.006 1.00 . A A . 5 CYS CB 1 1 12 4724 1 1 5 CYS H H -1.047 -4.380 -1.259 1.00 . A A . 5 CYS H 1 1 12 4725 1 1 5 CYS HA H -3.569 -4.549 0.078 1.00 . A A . 5 CYS HA 1 1 12 4726 1 1 5 CYS HB2 H -2.243 -2.425 -0.378 1.00 . A A . 5 CYS HB2 1 1 12 4727 1 1 5 CYS HB3 H -2.820 -2.533 -2.032 1.00 . A A . 5 CYS HB3 1 1 12 4728 1 1 5 CYS N N -1.796 -4.906 -0.916 1.00 . A A . 5 CYS N 1 1 12 4729 1 1 5 CYS O O -3.507 -5.408 -2.974 1.00 . A A . 5 CYS O 1 1 12 4730 1 1 5 CYS SG S -4.560 -1.922 -0.528 1.00 . A A . 5 CYS SG 1 1 12 4731 1 1 6 SER C C -7.082 -4.012 -3.399 1.00 . A A . 6 SER C 1 1 12 4732 1 1 6 SER CA C -6.262 -5.171 -2.836 1.00 . A A . 6 SER CA 1 1 12 4733 1 1 6 SER CB C -7.194 -6.222 -2.229 1.00 . A A . 6 SER CB 1 1 12 4734 1 1 6 SER H H -5.650 -4.249 -1.035 1.00 . A A . 6 SER H 1 1 12 4735 1 1 6 SER HA H -5.701 -5.623 -3.640 1.00 . A A . 6 SER HA 1 1 12 4736 1 1 6 SER HB2 H -8.025 -6.393 -2.897 1.00 . A A . 6 SER HB2 1 1 12 4737 1 1 6 SER HB3 H -6.650 -7.144 -2.088 1.00 . A A . 6 SER HB3 1 1 12 4738 1 1 6 SER HG H -8.652 -5.904 -0.960 1.00 . A A . 6 SER HG 1 1 12 4739 1 1 6 SER N N -5.313 -4.700 -1.837 1.00 . A A . 6 SER N 1 1 12 4740 1 1 6 SER O O -8.151 -4.220 -3.971 1.00 . A A . 6 SER O 1 1 12 4741 1 1 6 SER OG O -7.699 -5.793 -0.976 1.00 . A A . 6 SER OG 1 1 12 4742 1 1 7 LEU C C -6.607 -1.053 -4.985 1.00 . A A . 7 LEU C 1 1 12 4743 1 1 7 LEU CA C -7.277 -1.606 -3.729 1.00 . A A . 7 LEU CA 1 1 12 4744 1 1 7 LEU CB C -7.323 -0.522 -2.651 1.00 . A A . 7 LEU CB 1 1 12 4745 1 1 7 LEU CD1 C -7.341 -0.451 -0.140 1.00 . A A . 7 LEU CD1 1 1 12 4746 1 1 7 LEU CD2 C -9.490 -0.291 -1.412 1.00 . A A . 7 LEU CD2 1 1 12 4747 1 1 7 LEU CG C -8.095 -0.899 -1.384 1.00 . A A . 7 LEU CG 1 1 12 4748 1 1 7 LEU H H -5.720 -2.678 -2.767 1.00 . A A . 7 LEU H 1 1 12 4749 1 1 7 LEU HA H -8.287 -1.899 -3.973 1.00 . A A . 7 LEU HA 1 1 12 4750 1 1 7 LEU HB2 H -6.308 -0.277 -2.373 1.00 . A A . 7 LEU HB2 1 1 12 4751 1 1 7 LEU HB3 H -7.782 0.357 -3.076 1.00 . A A . 7 LEU HB3 1 1 12 4752 1 1 7 LEU HD11 H -7.997 0.131 0.491 1.00 . A A . 7 LEU HD11 1 1 12 4753 1 1 7 LEU HD12 H -6.493 0.152 -0.429 1.00 . A A . 7 LEU HD12 1 1 12 4754 1 1 7 LEU HD13 H -6.997 -1.319 0.403 1.00 . A A . 7 LEU HD13 1 1 12 4755 1 1 7 LEU HD21 H -10.083 -0.713 -0.614 1.00 . A A . 7 LEU HD21 1 1 12 4756 1 1 7 LEU HD22 H -9.958 -0.507 -2.361 1.00 . A A . 7 LEU HD22 1 1 12 4757 1 1 7 LEU HD23 H -9.418 0.779 -1.281 1.00 . A A . 7 LEU HD23 1 1 12 4758 1 1 7 LEU HG H -8.198 -1.974 -1.342 1.00 . A A . 7 LEU HG 1 1 12 4759 1 1 7 LEU N N -6.578 -2.788 -3.233 1.00 . A A . 7 LEU N 1 1 12 4760 1 1 7 LEU O O -5.383 -1.082 -5.110 1.00 . A A . 7 LEU O 1 1 12 4761 1 1 8 PRO C C -6.524 1.508 -7.035 1.00 . A A . 8 PRO C 1 1 12 4762 1 1 8 PRO CA C -6.893 0.034 -7.179 1.00 . A A . 8 PRO CA 1 1 12 4763 1 1 8 PRO CB C -8.078 -0.130 -8.124 1.00 . A A . 8 PRO CB 1 1 12 4764 1 1 8 PRO CD C -8.879 -0.453 -5.871 1.00 . A A . 8 PRO CD 1 1 12 4765 1 1 8 PRO CG C -9.278 0.025 -7.249 1.00 . A A . 8 PRO CG 1 1 12 4766 1 1 8 PRO HA H -6.046 -0.520 -7.554 1.00 . A A . 8 PRO HA 1 1 12 4767 1 1 8 PRO HB2 H -8.042 0.633 -8.888 1.00 . A A . 8 PRO HB2 1 1 12 4768 1 1 8 PRO HB3 H -8.047 -1.108 -8.581 1.00 . A A . 8 PRO HB3 1 1 12 4769 1 1 8 PRO HD2 H -9.192 0.257 -5.121 1.00 . A A . 8 PRO HD2 1 1 12 4770 1 1 8 PRO HD3 H -9.307 -1.425 -5.673 1.00 . A A . 8 PRO HD3 1 1 12 4771 1 1 8 PRO HG2 H -9.570 1.064 -7.211 1.00 . A A . 8 PRO HG2 1 1 12 4772 1 1 8 PRO HG3 H -10.089 -0.577 -7.632 1.00 . A A . 8 PRO HG3 1 1 12 4773 1 1 8 PRO N N -7.406 -0.533 -5.935 1.00 . A A . 8 PRO N 1 1 12 4774 1 1 8 PRO O O -6.858 2.329 -7.890 1.00 . A A . 8 PRO O 1 1 12 4775 1 1 9 HIS C C -4.012 3.245 -5.109 1.00 . A A . 9 HIS C 1 1 12 4776 1 1 9 HIS CA C -5.422 3.209 -5.681 1.00 . A A . 9 HIS CA 1 1 12 4777 1 1 9 HIS CB C -6.383 3.871 -4.693 1.00 . A A . 9 HIS CB 1 1 12 4778 1 1 9 HIS CD2 C -5.157 6.044 -3.992 1.00 . A A . 9 HIS CD2 1 1 12 4779 1 1 9 HIS CE1 C -6.608 7.496 -4.762 1.00 . A A . 9 HIS CE1 1 1 12 4780 1 1 9 HIS CG C -6.172 5.346 -4.556 1.00 . A A . 9 HIS CG 1 1 12 4781 1 1 9 HIS H H -5.603 1.136 -5.302 1.00 . A A . 9 HIS H 1 1 12 4782 1 1 9 HIS HA H -5.441 3.753 -6.613 1.00 . A A . 9 HIS HA 1 1 12 4783 1 1 9 HIS HB2 H -7.399 3.707 -5.019 1.00 . A A . 9 HIS HB2 1 1 12 4784 1 1 9 HIS HB3 H -6.246 3.426 -3.716 1.00 . A A . 9 HIS HB3 1 1 12 4785 1 1 9 HIS HD1 H -7.907 6.092 -5.490 1.00 . A A . 9 HIS HD1 1 1 12 4786 1 1 9 HIS HD2 H -4.278 5.627 -3.519 1.00 . A A . 9 HIS HD2 1 1 12 4787 1 1 9 HIS HE1 H -7.098 8.425 -5.013 1.00 . A A . 9 HIS HE1 1 1 12 4788 1 1 9 HIS HE2 H -4.857 8.120 -3.901 1.00 . A A . 9 HIS HE2 1 1 12 4789 1 1 9 HIS N N -5.837 1.836 -5.946 1.00 . A A . 9 HIS N 1 1 12 4790 1 1 9 HIS ND1 N -7.065 6.285 -5.028 1.00 . A A . 9 HIS ND1 1 1 12 4791 1 1 9 HIS NE2 N -5.453 7.377 -4.133 1.00 . A A . 9 HIS NE2 1 1 12 4792 1 1 9 HIS O O -3.171 4.034 -5.540 1.00 . A A . 9 HIS O 1 1 12 4793 1 1 10 CYS C C -1.409 1.787 -4.432 1.00 . A A . 10 CYS C 1 1 12 4794 1 1 10 CYS CA C -2.473 2.309 -3.474 1.00 . A A . 10 CYS CA 1 1 12 4795 1 1 10 CYS CB C -2.561 1.408 -2.240 1.00 . A A . 10 CYS CB 1 1 12 4796 1 1 10 CYS H H -4.490 1.792 -3.833 1.00 . A A . 10 CYS H 1 1 12 4797 1 1 10 CYS HA H -2.200 3.306 -3.161 1.00 . A A . 10 CYS HA 1 1 12 4798 1 1 10 CYS HB2 H -2.496 0.378 -2.553 1.00 . A A . 10 CYS HB2 1 1 12 4799 1 1 10 CYS HB3 H -1.735 1.631 -1.581 1.00 . A A . 10 CYS HB3 1 1 12 4800 1 1 10 CYS N N -3.771 2.388 -4.128 1.00 . A A . 10 CYS N 1 1 12 4801 1 1 10 CYS O O -0.236 2.146 -4.328 1.00 . A A . 10 CYS O 1 1 12 4802 1 1 10 CYS SG S -4.104 1.598 -1.283 1.00 . A A . 10 CYS SG 1 1 12 4803 1 1 11 ARG C C -0.487 1.434 -7.366 1.00 . A A . 11 ARG C 1 1 12 4804 1 1 11 ARG CA C -0.903 0.377 -6.349 1.00 . A A . 11 ARG CA 1 1 12 4805 1 1 11 ARG CB C -1.549 -0.812 -7.063 1.00 . A A . 11 ARG CB 1 1 12 4806 1 1 11 ARG CD C -1.203 -2.956 -8.326 1.00 . A A . 11 ARG CD 1 1 12 4807 1 1 11 ARG CG C -0.565 -1.912 -7.425 1.00 . A A . 11 ARG CG 1 1 12 4808 1 1 11 ARG CZ C -0.521 -4.449 -10.164 1.00 . A A . 11 ARG CZ 1 1 12 4809 1 1 11 ARG H H -2.772 0.694 -5.406 1.00 . A A . 11 ARG H 1 1 12 4810 1 1 11 ARG HA H -0.025 0.036 -5.821 1.00 . A A . 11 ARG HA 1 1 12 4811 1 1 11 ARG HB2 H -2.308 -1.234 -6.422 1.00 . A A . 11 ARG HB2 1 1 12 4812 1 1 11 ARG HB3 H -2.014 -0.461 -7.973 1.00 . A A . 11 ARG HB3 1 1 12 4813 1 1 11 ARG HD2 H -1.722 -3.676 -7.711 1.00 . A A . 11 ARG HD2 1 1 12 4814 1 1 11 ARG HD3 H -1.911 -2.465 -8.979 1.00 . A A . 11 ARG HD3 1 1 12 4815 1 1 11 ARG HE H 0.732 -3.527 -8.915 1.00 . A A . 11 ARG HE 1 1 12 4816 1 1 11 ARG HG2 H 0.277 -1.474 -7.939 1.00 . A A . 11 ARG HG2 1 1 12 4817 1 1 11 ARG HG3 H -0.227 -2.391 -6.517 1.00 . A A . 11 ARG HG3 1 1 12 4818 1 1 11 ARG HH11 H -2.520 -4.200 -9.985 1.00 . A A . 11 ARG HH11 1 1 12 4819 1 1 11 ARG HH12 H -2.015 -5.245 -11.270 1.00 . A A . 11 ARG HH12 1 1 12 4820 1 1 11 ARG HH21 H 1.399 -4.900 -10.604 1.00 . A A . 11 ARG HH21 1 1 12 4821 1 1 11 ARG HH22 H 0.210 -5.643 -11.621 1.00 . A A . 11 ARG HH22 1 1 12 4822 1 1 11 ARG N N -1.824 0.941 -5.370 1.00 . A A . 11 ARG N 1 1 12 4823 1 1 11 ARG NE N -0.213 -3.655 -9.141 1.00 . A A . 11 ARG NE 1 1 12 4824 1 1 11 ARG NH1 N -1.790 -4.648 -10.500 1.00 . A A . 11 ARG NH1 1 1 12 4825 1 1 11 ARG NH2 N 0.442 -5.047 -10.853 1.00 . A A . 11 ARG NH2 1 1 12 4826 1 1 11 ARG O O -1.078 1.542 -8.441 1.00 . A A . 11 ARG O 1 1 12 4827 1 1 12 THR C C 2.543 3.197 -8.034 1.00 . A A . 12 THR C 1 1 12 4828 1 1 12 THR CA C 1.023 3.267 -7.897 1.00 . A A . 12 THR CA 1 1 12 4829 1 1 12 THR CB C 0.603 4.637 -7.361 1.00 . A A . 12 THR CB 1 1 12 4830 1 1 12 THR CG2 C 1.111 5.793 -8.196 1.00 . A A . 12 THR CG2 1 1 12 4831 1 1 12 THR H H 0.958 2.081 -6.146 1.00 . A A . 12 THR H 1 1 12 4832 1 1 12 THR HA H 0.579 3.120 -8.871 1.00 . A A . 12 THR HA 1 1 12 4833 1 1 12 THR HB H 0.995 4.753 -6.360 1.00 . A A . 12 THR HB 1 1 12 4834 1 1 12 THR HG1 H -1.162 3.998 -6.804 1.00 . A A . 12 THR HG1 1 1 12 4835 1 1 12 THR HG21 H 0.283 6.258 -8.710 1.00 . A A . 12 THR HG21 1 1 12 4836 1 1 12 THR HG22 H 1.825 5.428 -8.920 1.00 . A A . 12 THR HG22 1 1 12 4837 1 1 12 THR HG23 H 1.589 6.518 -7.554 1.00 . A A . 12 THR HG23 1 1 12 4838 1 1 12 THR N N 0.530 2.214 -7.018 1.00 . A A . 12 THR N 1 1 12 4839 1 1 12 THR O O 3.063 2.653 -9.008 1.00 . A A . 12 THR O 1 1 12 4840 1 1 12 THR OG1 O -0.808 4.740 -7.300 1.00 . A A . 12 THR OG1 1 1 12 4841 1 1 13 MET C C 5.263 2.860 -5.950 1.00 . A A . 13 MET C 1 1 12 4842 1 1 13 MET CA C 4.707 3.745 -7.063 1.00 . A A . 13 MET CA 1 1 12 4843 1 1 13 MET CB C 5.242 5.171 -6.910 1.00 . A A . 13 MET CB 1 1 12 4844 1 1 13 MET CE C 5.588 7.453 -10.228 1.00 . A A . 13 MET CE 1 1 12 4845 1 1 13 MET CG C 4.705 6.137 -7.954 1.00 . A A . 13 MET CG 1 1 12 4846 1 1 13 MET H H 2.782 4.165 -6.300 1.00 . A A . 13 MET H 1 1 12 4847 1 1 13 MET HA H 5.030 3.351 -8.015 1.00 . A A . 13 MET HA 1 1 12 4848 1 1 13 MET HB2 H 4.970 5.542 -5.933 1.00 . A A . 13 MET HB2 1 1 12 4849 1 1 13 MET HB3 H 6.319 5.149 -6.991 1.00 . A A . 13 MET HB3 1 1 12 4850 1 1 13 MET HE1 H 6.037 6.611 -10.733 1.00 . A A . 13 MET HE1 1 1 12 4851 1 1 13 MET HE2 H 5.997 8.370 -10.622 1.00 . A A . 13 MET HE2 1 1 12 4852 1 1 13 MET HE3 H 4.519 7.438 -10.385 1.00 . A A . 13 MET HE3 1 1 12 4853 1 1 13 MET HG2 H 4.390 5.573 -8.819 1.00 . A A . 13 MET HG2 1 1 12 4854 1 1 13 MET HG3 H 3.856 6.659 -7.538 1.00 . A A . 13 MET HG3 1 1 12 4855 1 1 13 MET N N 3.250 3.749 -7.052 1.00 . A A . 13 MET N 1 1 12 4856 1 1 13 MET O O 6.472 2.817 -5.732 1.00 . A A . 13 MET O 1 1 12 4857 1 1 13 MET SD S 5.934 7.350 -8.473 1.00 . A A . 13 MET SD 1 1 12 4858 1 1 14 LYS C C 4.982 2.048 -2.861 1.00 . A A . 14 LYS C 1 1 12 4859 1 1 14 LYS CA C 4.757 1.265 -4.155 1.00 . A A . 14 LYS CA 1 1 12 4860 1 1 14 LYS CB C 6.005 0.444 -4.533 1.00 . A A . 14 LYS CB 1 1 12 4861 1 1 14 LYS CD C 8.501 0.591 -4.817 1.00 . A A . 14 LYS CD 1 1 12 4862 1 1 14 LYS CE C 9.753 0.375 -3.984 1.00 . A A . 14 LYS CE 1 1 12 4863 1 1 14 LYS CG C 7.311 0.965 -3.948 1.00 . A A . 14 LYS CG 1 1 12 4864 1 1 14 LYS H H 3.419 2.237 -5.474 1.00 . A A . 14 LYS H 1 1 12 4865 1 1 14 LYS HA H 3.935 0.583 -3.995 1.00 . A A . 14 LYS HA 1 1 12 4866 1 1 14 LYS HB2 H 5.867 -0.570 -4.191 1.00 . A A . 14 LYS HB2 1 1 12 4867 1 1 14 LYS HB3 H 6.098 0.437 -5.610 1.00 . A A . 14 LYS HB3 1 1 12 4868 1 1 14 LYS HD2 H 8.273 -0.320 -5.349 1.00 . A A . 14 LYS HD2 1 1 12 4869 1 1 14 LYS HD3 H 8.682 1.388 -5.524 1.00 . A A . 14 LYS HD3 1 1 12 4870 1 1 14 LYS HE2 H 10.185 1.337 -3.750 1.00 . A A . 14 LYS HE2 1 1 12 4871 1 1 14 LYS HE3 H 9.479 -0.128 -3.068 1.00 . A A . 14 LYS HE3 1 1 12 4872 1 1 14 LYS HG2 H 7.259 2.040 -3.869 1.00 . A A . 14 LYS HG2 1 1 12 4873 1 1 14 LYS HG3 H 7.445 0.538 -2.966 1.00 . A A . 14 LYS HG3 1 1 12 4874 1 1 14 LYS HZ1 H 11.255 0.133 -5.416 1.00 . A A . 14 LYS HZ1 1 1 12 4875 1 1 14 LYS HZ2 H 10.302 -1.245 -5.182 1.00 . A A . 14 LYS HZ2 1 1 12 4876 1 1 14 LYS HZ3 H 11.467 -0.818 -4.032 1.00 . A A . 14 LYS HZ3 1 1 12 4877 1 1 14 LYS N N 4.369 2.155 -5.250 1.00 . A A . 14 LYS N 1 1 12 4878 1 1 14 LYS NZ N 10.765 -0.446 -4.704 1.00 . A A . 14 LYS NZ 1 1 12 4879 1 1 14 LYS O O 5.661 1.577 -1.948 1.00 . A A . 14 LYS O 1 1 12 4880 1 1 15 ASN C C 3.838 3.438 -0.406 1.00 . A A . 15 ASN C 1 1 12 4881 1 1 15 ASN CA C 4.528 4.082 -1.604 1.00 . A A . 15 ASN CA 1 1 12 4882 1 1 15 ASN CB C 3.930 5.461 -1.878 1.00 . A A . 15 ASN CB 1 1 12 4883 1 1 15 ASN CG C 2.558 5.383 -2.521 1.00 . A A . 15 ASN CG 1 1 12 4884 1 1 15 ASN H H 3.864 3.565 -3.534 1.00 . A A . 15 ASN H 1 1 12 4885 1 1 15 ASN HA H 5.580 4.191 -1.386 1.00 . A A . 15 ASN HA 1 1 12 4886 1 1 15 ASN HB2 H 3.837 5.992 -0.949 1.00 . A A . 15 ASN HB2 1 1 12 4887 1 1 15 ASN HB3 H 4.587 6.008 -2.538 1.00 . A A . 15 ASN HB3 1 1 12 4888 1 1 15 ASN HD21 H 3.302 6.039 -4.244 1.00 . A A . 15 ASN HD21 1 1 12 4889 1 1 15 ASN HD22 H 1.607 5.706 -4.237 1.00 . A A . 15 ASN HD22 1 1 12 4890 1 1 15 ASN N N 4.399 3.242 -2.783 1.00 . A A . 15 ASN N 1 1 12 4891 1 1 15 ASN ND2 N 2.481 5.746 -3.796 1.00 . A A . 15 ASN ND2 1 1 12 4892 1 1 15 ASN O O 2.750 3.853 -0.005 1.00 . A A . 15 ASN O 1 1 12 4893 1 1 15 ASN OD1 O 1.580 5.001 -1.880 1.00 . A A . 15 ASN OD1 1 1 12 4894 1 1 16 VAL C C 3.526 2.668 2.421 1.00 . A A . 16 VAL C 1 1 12 4895 1 1 16 VAL CA C 3.929 1.707 1.308 1.00 . A A . 16 VAL CA 1 1 12 4896 1 1 16 VAL CB C 4.938 0.688 1.868 1.00 . A A . 16 VAL CB 1 1 12 4897 1 1 16 VAL CG1 C 4.286 -0.186 2.928 1.00 . A A . 16 VAL CG1 1 1 12 4898 1 1 16 VAL CG2 C 5.519 -0.161 0.747 1.00 . A A . 16 VAL CG2 1 1 12 4899 1 1 16 VAL H H 5.339 2.135 -0.213 1.00 . A A . 16 VAL H 1 1 12 4900 1 1 16 VAL HA H 3.055 1.167 0.979 1.00 . A A . 16 VAL HA 1 1 12 4901 1 1 16 VAL HB H 5.744 1.234 2.331 1.00 . A A . 16 VAL HB 1 1 12 4902 1 1 16 VAL HG11 H 4.084 -1.164 2.515 1.00 . A A . 16 VAL HG11 1 1 12 4903 1 1 16 VAL HG12 H 3.359 0.267 3.249 1.00 . A A . 16 VAL HG12 1 1 12 4904 1 1 16 VAL HG13 H 4.951 -0.284 3.773 1.00 . A A . 16 VAL HG13 1 1 12 4905 1 1 16 VAL HG21 H 5.723 -1.155 1.118 1.00 . A A . 16 VAL HG21 1 1 12 4906 1 1 16 VAL HG22 H 6.437 0.287 0.395 1.00 . A A . 16 VAL HG22 1 1 12 4907 1 1 16 VAL HG23 H 4.811 -0.218 -0.066 1.00 . A A . 16 VAL HG23 1 1 12 4908 1 1 16 VAL N N 4.477 2.419 0.158 1.00 . A A . 16 VAL N 1 1 12 4909 1 1 16 VAL O O 2.577 2.411 3.161 1.00 . A A . 16 VAL O 1 1 12 4910 1 1 17 LEU C C 2.613 5.421 3.321 1.00 . A A . 17 LEU C 1 1 12 4911 1 1 17 LEU CA C 3.965 4.767 3.564 1.00 . A A . 17 LEU CA 1 1 12 4912 1 1 17 LEU CB C 5.064 5.830 3.595 1.00 . A A . 17 LEU CB 1 1 12 4913 1 1 17 LEU CD1 C 7.445 6.216 2.909 1.00 . A A . 17 LEU CD1 1 1 12 4914 1 1 17 LEU CD2 C 6.940 5.086 5.082 1.00 . A A . 17 LEU CD2 1 1 12 4915 1 1 17 LEU CG C 6.492 5.283 3.642 1.00 . A A . 17 LEU CG 1 1 12 4916 1 1 17 LEU H H 4.999 3.927 1.921 1.00 . A A . 17 LEU H 1 1 12 4917 1 1 17 LEU HA H 3.938 4.261 4.511 1.00 . A A . 17 LEU HA 1 1 12 4918 1 1 17 LEU HB2 H 4.965 6.446 2.714 1.00 . A A . 17 LEU HB2 1 1 12 4919 1 1 17 LEU HB3 H 4.912 6.448 4.465 1.00 . A A . 17 LEU HB3 1 1 12 4920 1 1 17 LEU HD11 H 8.319 5.665 2.597 1.00 . A A . 17 LEU HD11 1 1 12 4921 1 1 17 LEU HD12 H 7.741 7.018 3.569 1.00 . A A . 17 LEU HD12 1 1 12 4922 1 1 17 LEU HD13 H 6.949 6.627 2.042 1.00 . A A . 17 LEU HD13 1 1 12 4923 1 1 17 LEU HD21 H 7.429 5.983 5.433 1.00 . A A . 17 LEU HD21 1 1 12 4924 1 1 17 LEU HD22 H 7.628 4.256 5.135 1.00 . A A . 17 LEU HD22 1 1 12 4925 1 1 17 LEU HD23 H 6.079 4.880 5.701 1.00 . A A . 17 LEU HD23 1 1 12 4926 1 1 17 LEU HG H 6.520 4.323 3.147 1.00 . A A . 17 LEU HG 1 1 12 4927 1 1 17 LEU N N 4.253 3.774 2.537 1.00 . A A . 17 LEU N 1 1 12 4928 1 1 17 LEU O O 1.888 5.746 4.261 1.00 . A A . 17 LEU O 1 1 12 4929 1 1 18 ASN C C -0.137 5.226 1.842 1.00 . A A . 18 ASN C 1 1 12 4930 1 1 18 ASN CA C 1.013 6.212 1.670 1.00 . A A . 18 ASN CA 1 1 12 4931 1 1 18 ASN CB C 1.074 6.697 0.219 1.00 . A A . 18 ASN CB 1 1 12 4932 1 1 18 ASN CG C 0.863 8.193 0.099 1.00 . A A . 18 ASN CG 1 1 12 4933 1 1 18 ASN H H 2.904 5.315 1.357 1.00 . A A . 18 ASN H 1 1 12 4934 1 1 18 ASN HA H 0.844 7.058 2.316 1.00 . A A . 18 ASN HA 1 1 12 4935 1 1 18 ASN HB2 H 2.040 6.455 -0.194 1.00 . A A . 18 ASN HB2 1 1 12 4936 1 1 18 ASN HB3 H 0.308 6.196 -0.355 1.00 . A A . 18 ASN HB3 1 1 12 4937 1 1 18 ASN HD21 H 2.827 8.489 0.024 1.00 . A A . 18 ASN HD21 1 1 12 4938 1 1 18 ASN HD22 H 1.850 9.911 -0.069 1.00 . A A . 18 ASN HD22 1 1 12 4939 1 1 18 ASN N N 2.281 5.603 2.053 1.00 . A A . 18 ASN N 1 1 12 4940 1 1 18 ASN ND2 N 1.957 8.940 0.009 1.00 . A A . 18 ASN ND2 1 1 12 4941 1 1 18 ASN O O -1.270 5.618 2.122 1.00 . A A . 18 ASN O 1 1 12 4942 1 1 18 ASN OD1 O -0.271 8.673 0.088 1.00 . A A . 18 ASN OD1 1 1 12 4943 1 1 19 HIS C C -1.185 2.636 3.254 1.00 . A A . 19 HIS C 1 1 12 4944 1 1 19 HIS CA C -0.844 2.899 1.786 1.00 . A A . 19 HIS CA 1 1 12 4945 1 1 19 HIS CB C -0.355 1.616 1.095 1.00 . A A . 19 HIS CB 1 1 12 4946 1 1 19 HIS CD2 C -0.403 -0.560 2.484 1.00 . A A . 19 HIS CD2 1 1 12 4947 1 1 19 HIS CE1 C -2.424 -1.177 1.971 1.00 . A A . 19 HIS CE1 1 1 12 4948 1 1 19 HIS CG C -0.949 0.350 1.641 1.00 . A A . 19 HIS CG 1 1 12 4949 1 1 19 HIS H H 1.082 3.699 1.434 1.00 . A A . 19 HIS H 1 1 12 4950 1 1 19 HIS HA H -1.733 3.245 1.285 1.00 . A A . 19 HIS HA 1 1 12 4951 1 1 19 HIS HB2 H -0.602 1.668 0.046 1.00 . A A . 19 HIS HB2 1 1 12 4952 1 1 19 HIS HB3 H 0.717 1.551 1.200 1.00 . A A . 19 HIS HB3 1 1 12 4953 1 1 19 HIS HD2 H 0.581 -0.526 2.921 1.00 . A A . 19 HIS HD2 1 1 12 4954 1 1 19 HIS HE1 H -3.353 -1.725 1.952 1.00 . A A . 19 HIS HE1 1 1 12 4955 1 1 19 HIS HE2 H -1.193 -2.406 3.101 1.00 . A A . 19 HIS HE2 1 1 12 4956 1 1 19 HIS N N 0.162 3.945 1.662 1.00 . A A . 19 HIS N 1 1 12 4957 1 1 19 HIS ND1 N -2.225 -0.051 1.322 1.00 . A A . 19 HIS ND1 1 1 12 4958 1 1 19 HIS NE2 N -1.349 -1.530 2.689 1.00 . A A . 19 HIS NE2 1 1 12 4959 1 1 19 HIS O O -2.336 2.765 3.664 1.00 . A A . 19 HIS O 1 1 12 4960 1 1 20 MET C C -1.043 3.165 6.173 1.00 . A A . 20 MET C 1 1 12 4961 1 1 20 MET CA C -0.395 1.982 5.457 1.00 . A A . 20 MET CA 1 1 12 4962 1 1 20 MET CB C 0.930 1.625 6.132 1.00 . A A . 20 MET CB 1 1 12 4963 1 1 20 MET CE C 2.307 -0.494 8.534 1.00 . A A . 20 MET CE 1 1 12 4964 1 1 20 MET CG C 1.281 0.149 6.042 1.00 . A A . 20 MET CG 1 1 12 4965 1 1 20 MET H H 0.717 2.175 3.662 1.00 . A A . 20 MET H 1 1 12 4966 1 1 20 MET HA H -1.061 1.137 5.525 1.00 . A A . 20 MET HA 1 1 12 4967 1 1 20 MET HB2 H 1.723 2.191 5.665 1.00 . A A . 20 MET HB2 1 1 12 4968 1 1 20 MET HB3 H 0.874 1.896 7.176 1.00 . A A . 20 MET HB3 1 1 12 4969 1 1 20 MET HE1 H 2.896 -1.399 8.560 1.00 . A A . 20 MET HE1 1 1 12 4970 1 1 20 MET HE2 H 2.013 -0.227 9.539 1.00 . A A . 20 MET HE2 1 1 12 4971 1 1 20 MET HE3 H 2.894 0.306 8.106 1.00 . A A . 20 MET HE3 1 1 12 4972 1 1 20 MET HG2 H 0.749 -0.283 5.207 1.00 . A A . 20 MET HG2 1 1 12 4973 1 1 20 MET HG3 H 2.344 0.055 5.877 1.00 . A A . 20 MET HG3 1 1 12 4974 1 1 20 MET N N -0.183 2.265 4.040 1.00 . A A . 20 MET N 1 1 12 4975 1 1 20 MET O O -1.666 3.000 7.221 1.00 . A A . 20 MET O 1 1 12 4976 1 1 20 MET SD S 0.845 -0.762 7.536 1.00 . A A . 20 MET SD 1 1 12 4977 1 1 21 THR C C -2.991 5.498 6.199 1.00 . A A . 21 THR C 1 1 12 4978 1 1 21 THR CA C -1.466 5.559 6.192 1.00 . A A . 21 THR CA 1 1 12 4979 1 1 21 THR CB C -0.985 6.796 5.426 1.00 . A A . 21 THR CB 1 1 12 4980 1 1 21 THR CG2 C -1.885 7.199 4.274 1.00 . A A . 21 THR CG2 1 1 12 4981 1 1 21 THR H H -0.386 4.428 4.770 1.00 . A A . 21 THR H 1 1 12 4982 1 1 21 THR HA H -1.119 5.622 7.211 1.00 . A A . 21 THR HA 1 1 12 4983 1 1 21 THR HB H -0.008 6.587 5.019 1.00 . A A . 21 THR HB 1 1 12 4984 1 1 21 THR HG1 H 0.053 8.095 6.461 1.00 . A A . 21 THR HG1 1 1 12 4985 1 1 21 THR HG21 H -1.285 7.609 3.475 1.00 . A A . 21 THR HG21 1 1 12 4986 1 1 21 THR HG22 H -2.592 7.942 4.612 1.00 . A A . 21 THR HG22 1 1 12 4987 1 1 21 THR HG23 H -2.419 6.331 3.914 1.00 . A A . 21 THR HG23 1 1 12 4988 1 1 21 THR N N -0.893 4.355 5.604 1.00 . A A . 21 THR N 1 1 12 4989 1 1 21 THR O O -3.646 6.151 7.012 1.00 . A A . 21 THR O 1 1 12 4990 1 1 21 THR OG1 O -0.874 7.911 6.292 1.00 . A A . 21 THR OG1 1 1 12 4991 1 1 22 HIS C C -5.451 3.133 5.167 1.00 . A A . 22 HIS C 1 1 12 4992 1 1 22 HIS CA C -5.002 4.589 5.173 1.00 . A A . 22 HIS CA 1 1 12 4993 1 1 22 HIS CB C -5.505 5.274 3.900 1.00 . A A . 22 HIS CB 1 1 12 4994 1 1 22 HIS CD2 C -4.484 3.485 2.293 1.00 . A A . 22 HIS CD2 1 1 12 4995 1 1 22 HIS CE1 C -4.123 4.789 0.573 1.00 . A A . 22 HIS CE1 1 1 12 4996 1 1 22 HIS CG C -4.901 4.735 2.633 1.00 . A A . 22 HIS CG 1 1 12 4997 1 1 22 HIS H H -2.972 4.233 4.653 1.00 . A A . 22 HIS H 1 1 12 4998 1 1 22 HIS HA H -5.441 5.083 6.027 1.00 . A A . 22 HIS HA 1 1 12 4999 1 1 22 HIS HB2 H -6.575 5.149 3.833 1.00 . A A . 22 HIS HB2 1 1 12 5000 1 1 22 HIS HB3 H -5.275 6.328 3.954 1.00 . A A . 22 HIS HB3 1 1 12 5001 1 1 22 HIS HD1 H -4.853 6.482 1.458 1.00 . A A . 22 HIS HD1 1 1 12 5002 1 1 22 HIS HD2 H -4.526 2.594 2.909 1.00 . A A . 22 HIS HD2 1 1 12 5003 1 1 22 HIS HE1 H -3.837 5.139 -0.409 1.00 . A A . 22 HIS HE1 1 1 12 5004 1 1 22 HIS HE2 H -3.415 2.882 0.611 1.00 . A A . 22 HIS HE2 1 1 12 5005 1 1 22 HIS N N -3.550 4.720 5.279 1.00 . A A . 22 HIS N 1 1 12 5006 1 1 22 HIS ND1 N -4.659 5.524 1.530 1.00 . A A . 22 HIS ND1 1 1 12 5007 1 1 22 HIS NE2 N -4.002 3.551 1.012 1.00 . A A . 22 HIS NE2 1 1 12 5008 1 1 22 HIS O O -6.645 2.847 5.267 1.00 . A A . 22 HIS O 1 1 12 5009 1 1 23 CYS C C -4.277 0.070 6.178 1.00 . A A . 23 CYS C 1 1 12 5010 1 1 23 CYS CA C -4.825 0.809 4.961 1.00 . A A . 23 CYS CA 1 1 12 5011 1 1 23 CYS CB C -4.233 0.243 3.682 1.00 . A A . 23 CYS CB 1 1 12 5012 1 1 23 CYS H H -3.577 2.485 4.912 1.00 . A A . 23 CYS H 1 1 12 5013 1 1 23 CYS HA H -5.898 0.702 4.932 1.00 . A A . 23 CYS HA 1 1 12 5014 1 1 23 CYS HB2 H -3.395 0.857 3.386 1.00 . A A . 23 CYS HB2 1 1 12 5015 1 1 23 CYS HB3 H -3.883 -0.752 3.871 1.00 . A A . 23 CYS HB3 1 1 12 5016 1 1 23 CYS N N -4.508 2.215 5.017 1.00 . A A . 23 CYS N 1 1 12 5017 1 1 23 CYS O O -3.193 0.382 6.671 1.00 . A A . 23 CYS O 1 1 12 5018 1 1 23 CYS SG S -5.392 0.187 2.273 1.00 . A A . 23 CYS SG 1 1 12 5019 1 1 24 GLN C C -3.982 -3.010 7.386 1.00 . A A . 24 GLN C 1 1 12 5020 1 1 24 GLN CA C -4.624 -1.696 7.818 1.00 . A A . 24 GLN CA 1 1 12 5021 1 1 24 GLN CB C -5.825 -1.973 8.723 1.00 . A A . 24 GLN CB 1 1 12 5022 1 1 24 GLN CD C -8.122 -3.001 8.944 1.00 . A A . 24 GLN CD 1 1 12 5023 1 1 24 GLN CG C -6.905 -2.814 8.060 1.00 . A A . 24 GLN CG 1 1 12 5024 1 1 24 GLN H H -5.888 -1.114 6.222 1.00 . A A . 24 GLN H 1 1 12 5025 1 1 24 GLN HA H -3.896 -1.118 8.368 1.00 . A A . 24 GLN HA 1 1 12 5026 1 1 24 GLN HB2 H -5.484 -2.495 9.605 1.00 . A A . 24 GLN HB2 1 1 12 5027 1 1 24 GLN HB3 H -6.264 -1.032 9.019 1.00 . A A . 24 GLN HB3 1 1 12 5028 1 1 24 GLN HE21 H -9.159 -1.722 7.829 1.00 . A A . 24 GLN HE21 1 1 12 5029 1 1 24 GLN HE22 H -10.007 -2.410 9.168 1.00 . A A . 24 GLN HE22 1 1 12 5030 1 1 24 GLN HG2 H -7.214 -2.326 7.147 1.00 . A A . 24 GLN HG2 1 1 12 5031 1 1 24 GLN HG3 H -6.494 -3.785 7.827 1.00 . A A . 24 GLN HG3 1 1 12 5032 1 1 24 GLN N N -5.034 -0.912 6.658 1.00 . A A . 24 GLN N 1 1 12 5033 1 1 24 GLN NE2 N -9.206 -2.308 8.614 1.00 . A A . 24 GLN NE2 1 1 12 5034 1 1 24 GLN O O -3.946 -3.332 6.199 1.00 . A A . 24 GLN O 1 1 12 5035 1 1 24 GLN OE1 O -8.090 -3.761 9.912 1.00 . A A . 24 GLN OE1 1 1 12 5036 1 1 25 ALA C C -1.364 -4.863 7.727 1.00 . A A . 25 ALA C 1 1 12 5037 1 1 25 ALA CA C -2.829 -5.051 8.104 1.00 . A A . 25 ALA CA 1 1 12 5038 1 1 25 ALA CB C -3.564 -5.826 7.016 1.00 . A A . 25 ALA CB 1 1 12 5039 1 1 25 ALA H H -3.539 -3.444 9.287 1.00 . A A . 25 ALA H 1 1 12 5040 1 1 25 ALA HA H -2.878 -5.630 9.015 1.00 . A A . 25 ALA HA 1 1 12 5041 1 1 25 ALA HB1 H -3.535 -6.881 7.244 1.00 . A A . 25 ALA HB1 1 1 12 5042 1 1 25 ALA HB2 H -3.087 -5.651 6.064 1.00 . A A . 25 ALA HB2 1 1 12 5043 1 1 25 ALA HB3 H -4.592 -5.496 6.970 1.00 . A A . 25 ALA HB3 1 1 12 5044 1 1 25 ALA N N -3.476 -3.764 8.363 1.00 . A A . 25 ALA N 1 1 12 5045 1 1 25 ALA O O -1.049 -4.249 6.707 1.00 . A A . 25 ALA O 1 1 12 5046 1 1 26 GLY C C 1.798 -5.730 9.463 1.00 . A A . 26 GLY C 1 1 12 5047 1 1 26 GLY CA C 0.949 -5.273 8.292 1.00 . A A . 26 GLY CA 1 1 12 5048 1 1 26 GLY H H -0.782 -5.872 9.354 1.00 . A A . 26 GLY H 1 1 12 5049 1 1 26 GLY HA2 H 1.196 -5.872 7.428 1.00 . A A . 26 GLY HA2 1 1 12 5050 1 1 26 GLY HA3 H 1.178 -4.240 8.078 1.00 . A A . 26 GLY HA3 1 1 12 5051 1 1 26 GLY N N -0.472 -5.394 8.556 1.00 . A A . 26 GLY N 1 1 12 5052 1 1 26 GLY O O 1.922 -6.928 9.717 1.00 . A A . 26 GLY O 1 1 12 5053 1 1 27 LYS C C 2.849 -4.217 12.524 1.00 . A A . 27 LYS C 1 1 12 5054 1 1 27 LYS CA C 3.223 -5.084 11.327 1.00 . A A . 27 LYS CA 1 1 12 5055 1 1 27 LYS CB C 4.698 -4.881 10.976 1.00 . A A . 27 LYS CB 1 1 12 5056 1 1 27 LYS CD C 6.025 -7.012 11.087 1.00 . A A . 27 LYS CD 1 1 12 5057 1 1 27 LYS CE C 5.104 -8.160 11.468 1.00 . A A . 27 LYS CE 1 1 12 5058 1 1 27 LYS CG C 5.644 -5.730 11.809 1.00 . A A . 27 LYS CG 1 1 12 5059 1 1 27 LYS H H 2.244 -3.837 9.924 1.00 . A A . 27 LYS H 1 1 12 5060 1 1 27 LYS HA H 3.063 -6.120 11.584 1.00 . A A . 27 LYS HA 1 1 12 5061 1 1 27 LYS HB2 H 4.847 -5.131 9.935 1.00 . A A . 27 LYS HB2 1 1 12 5062 1 1 27 LYS HB3 H 4.953 -3.843 11.127 1.00 . A A . 27 LYS HB3 1 1 12 5063 1 1 27 LYS HD2 H 5.958 -6.848 10.022 1.00 . A A . 27 LYS HD2 1 1 12 5064 1 1 27 LYS HD3 H 7.040 -7.274 11.350 1.00 . A A . 27 LYS HD3 1 1 12 5065 1 1 27 LYS HE2 H 4.832 -8.058 12.508 1.00 . A A . 27 LYS HE2 1 1 12 5066 1 1 27 LYS HE3 H 4.214 -8.108 10.857 1.00 . A A . 27 LYS HE3 1 1 12 5067 1 1 27 LYS HG2 H 6.541 -5.162 12.009 1.00 . A A . 27 LYS HG2 1 1 12 5068 1 1 27 LYS HG3 H 5.160 -5.982 12.741 1.00 . A A . 27 LYS HG3 1 1 12 5069 1 1 27 LYS HZ1 H 5.334 -10.190 11.905 1.00 . A A . 27 LYS HZ1 1 1 12 5070 1 1 27 LYS HZ2 H 6.772 -9.417 11.463 1.00 . A A . 27 LYS HZ2 1 1 12 5071 1 1 27 LYS HZ3 H 5.622 -9.801 10.283 1.00 . A A . 27 LYS HZ3 1 1 12 5072 1 1 27 LYS N N 2.382 -4.774 10.177 1.00 . A A . 27 LYS N 1 1 12 5073 1 1 27 LYS NZ N 5.753 -9.484 11.265 1.00 . A A . 27 LYS NZ 1 1 12 5074 1 1 27 LYS O O 3.119 -4.640 13.668 1.00 . A A . 27 LYS O 1 1 12 5075 1 1 27 LYS OXT O 2.291 -3.120 12.308 1.00 . A A . 27 LYS OXT 1 1 12 5076 2 2 1 ZN ZN ZN -4.007 0.074 0.433 1.00 . B A . 28 ZN ZN 1 1 13 5077 1 1 1 GLU C C 1.277 -2.917 1.692 1.00 . A A . 1 GLU C 1 1 13 5078 1 1 1 GLU CA C 2.091 -2.883 2.978 1.00 . A A . 1 GLU CA 1 1 13 5079 1 1 1 GLU CB C 3.116 -4.019 2.987 1.00 . A A . 1 GLU CB 1 1 13 5080 1 1 1 GLU CD C 5.611 -4.388 3.124 1.00 . A A . 1 GLU CD 1 1 13 5081 1 1 1 GLU CG C 4.410 -3.665 3.701 1.00 . A A . 1 GLU CG 1 1 13 5082 1 1 1 GLU H1 H 1.829 -3.204 4.993 1.00 . A A . 1 GLU H1 1 1 13 5083 1 1 1 GLU H2 H 0.570 -3.817 4.000 1.00 . A A . 1 GLU H2 1 1 13 5084 1 1 1 GLU H3 H 0.695 -2.129 4.288 1.00 . A A . 1 GLU H3 1 1 13 5085 1 1 1 GLU HA H 2.608 -1.936 3.035 1.00 . A A . 1 GLU HA 1 1 13 5086 1 1 1 GLU HB2 H 2.681 -4.876 3.479 1.00 . A A . 1 GLU HB2 1 1 13 5087 1 1 1 GLU HB3 H 3.353 -4.282 1.967 1.00 . A A . 1 GLU HB3 1 1 13 5088 1 1 1 GLU HG2 H 4.574 -2.601 3.615 1.00 . A A . 1 GLU HG2 1 1 13 5089 1 1 1 GLU HG3 H 4.315 -3.930 4.744 1.00 . A A . 1 GLU HG3 1 1 13 5090 1 1 1 GLU N N 1.217 -3.020 4.172 1.00 . A A . 1 GLU N 1 1 13 5091 1 1 1 GLU O O 0.374 -3.738 1.534 1.00 . A A . 1 GLU O 1 1 13 5092 1 1 1 GLU OE1 O 5.485 -5.590 2.810 1.00 . A A . 1 GLU OE1 1 1 13 5093 1 1 1 GLU OE2 O 6.677 -3.751 2.986 1.00 . A A . 1 GLU OE2 1 1 13 5094 1 1 2 VAL C C 1.011 -3.230 -1.276 1.00 . A A . 2 VAL C 1 1 13 5095 1 1 2 VAL CA C 0.914 -1.922 -0.497 1.00 . A A . 2 VAL CA 1 1 13 5096 1 1 2 VAL CB C 1.485 -0.775 -1.350 1.00 . A A . 2 VAL CB 1 1 13 5097 1 1 2 VAL CG1 C 2.904 -1.088 -1.805 1.00 . A A . 2 VAL CG1 1 1 13 5098 1 1 2 VAL CG2 C 0.583 -0.498 -2.542 1.00 . A A . 2 VAL CG2 1 1 13 5099 1 1 2 VAL H H 2.335 -1.387 0.971 1.00 . A A . 2 VAL H 1 1 13 5100 1 1 2 VAL HA H -0.126 -1.710 -0.297 1.00 . A A . 2 VAL HA 1 1 13 5101 1 1 2 VAL HB H 1.520 0.113 -0.736 1.00 . A A . 2 VAL HB 1 1 13 5102 1 1 2 VAL HG11 H 2.870 -1.717 -2.682 1.00 . A A . 2 VAL HG11 1 1 13 5103 1 1 2 VAL HG12 H 3.430 -1.602 -1.014 1.00 . A A . 2 VAL HG12 1 1 13 5104 1 1 2 VAL HG13 H 3.418 -0.168 -2.041 1.00 . A A . 2 VAL HG13 1 1 13 5105 1 1 2 VAL HG21 H 0.111 -1.416 -2.858 1.00 . A A . 2 VAL HG21 1 1 13 5106 1 1 2 VAL HG22 H 1.173 -0.098 -3.354 1.00 . A A . 2 VAL HG22 1 1 13 5107 1 1 2 VAL HG23 H -0.174 0.219 -2.261 1.00 . A A . 2 VAL HG23 1 1 13 5108 1 1 2 VAL N N 1.606 -2.013 0.779 1.00 . A A . 2 VAL N 1 1 13 5109 1 1 2 VAL O O 0.057 -3.645 -1.935 1.00 . A A . 2 VAL O 1 1 13 5110 1 1 3 ARG C C 1.360 -6.183 -1.486 1.00 . A A . 3 ARG C 1 1 13 5111 1 1 3 ARG CA C 2.394 -5.136 -1.894 1.00 . A A . 3 ARG CA 1 1 13 5112 1 1 3 ARG CB C 3.803 -5.657 -1.607 1.00 . A A . 3 ARG CB 1 1 13 5113 1 1 3 ARG CD C 4.869 -6.225 -3.810 1.00 . A A . 3 ARG CD 1 1 13 5114 1 1 3 ARG CG C 4.240 -6.774 -2.540 1.00 . A A . 3 ARG CG 1 1 13 5115 1 1 3 ARG CZ C 6.712 -6.813 -5.336 1.00 . A A . 3 ARG CZ 1 1 13 5116 1 1 3 ARG H H 2.893 -3.493 -0.656 1.00 . A A . 3 ARG H 1 1 13 5117 1 1 3 ARG HA H 2.299 -4.949 -2.953 1.00 . A A . 3 ARG HA 1 1 13 5118 1 1 3 ARG HB2 H 4.503 -4.840 -1.705 1.00 . A A . 3 ARG HB2 1 1 13 5119 1 1 3 ARG HB3 H 3.838 -6.029 -0.594 1.00 . A A . 3 ARG HB3 1 1 13 5120 1 1 3 ARG HD2 H 4.090 -6.057 -4.539 1.00 . A A . 3 ARG HD2 1 1 13 5121 1 1 3 ARG HD3 H 5.355 -5.289 -3.580 1.00 . A A . 3 ARG HD3 1 1 13 5122 1 1 3 ARG HE H 5.878 -8.058 -4.018 1.00 . A A . 3 ARG HE 1 1 13 5123 1 1 3 ARG HG2 H 4.963 -7.393 -2.031 1.00 . A A . 3 ARG HG2 1 1 13 5124 1 1 3 ARG HG3 H 3.377 -7.368 -2.803 1.00 . A A . 3 ARG HG3 1 1 13 5125 1 1 3 ARG HH11 H 6.062 -4.905 -5.503 1.00 . A A . 3 ARG HH11 1 1 13 5126 1 1 3 ARG HH12 H 7.357 -5.343 -6.566 1.00 . A A . 3 ARG HH12 1 1 13 5127 1 1 3 ARG HH21 H 7.582 -8.635 -5.414 1.00 . A A . 3 ARG HH21 1 1 13 5128 1 1 3 ARG HH22 H 8.220 -7.461 -6.516 1.00 . A A . 3 ARG HH22 1 1 13 5129 1 1 3 ARG N N 2.170 -3.875 -1.196 1.00 . A A . 3 ARG N 1 1 13 5130 1 1 3 ARG NE N 5.854 -7.145 -4.375 1.00 . A A . 3 ARG NE 1 1 13 5131 1 1 3 ARG NH1 N 6.710 -5.586 -5.843 1.00 . A A . 3 ARG NH1 1 1 13 5132 1 1 3 ARG NH2 N 7.576 -7.710 -5.793 1.00 . A A . 3 ARG NH2 1 1 13 5133 1 1 3 ARG O O 1.115 -7.142 -2.218 1.00 . A A . 3 ARG O 1 1 13 5134 1 1 4 ALA C C -1.657 -6.362 0.077 1.00 . A A . 4 ALA C 1 1 13 5135 1 1 4 ALA CA C -0.245 -6.933 0.182 1.00 . A A . 4 ALA CA 1 1 13 5136 1 1 4 ALA CB C 0.063 -7.320 1.620 1.00 . A A . 4 ALA CB 1 1 13 5137 1 1 4 ALA H H 0.994 -5.217 0.229 1.00 . A A . 4 ALA H 1 1 13 5138 1 1 4 ALA HA H -0.189 -7.822 -0.422 1.00 . A A . 4 ALA HA 1 1 13 5139 1 1 4 ALA HB1 H 0.679 -8.207 1.630 1.00 . A A . 4 ALA HB1 1 1 13 5140 1 1 4 ALA HB2 H -0.859 -7.516 2.146 1.00 . A A . 4 ALA HB2 1 1 13 5141 1 1 4 ALA HB3 H 0.590 -6.512 2.106 1.00 . A A . 4 ALA HB3 1 1 13 5142 1 1 4 ALA N N 0.758 -5.997 -0.314 1.00 . A A . 4 ALA N 1 1 13 5143 1 1 4 ALA O O -2.631 -7.036 0.410 1.00 . A A . 4 ALA O 1 1 13 5144 1 1 5 CYS C C -3.811 -5.028 -1.747 1.00 . A A . 5 CYS C 1 1 13 5145 1 1 5 CYS CA C -3.066 -4.480 -0.536 1.00 . A A . 5 CYS CA 1 1 13 5146 1 1 5 CYS CB C -2.915 -2.968 -0.682 1.00 . A A . 5 CYS CB 1 1 13 5147 1 1 5 CYS H H -0.960 -4.633 -0.643 1.00 . A A . 5 CYS H 1 1 13 5148 1 1 5 CYS HA H -3.640 -4.686 0.355 1.00 . A A . 5 CYS HA 1 1 13 5149 1 1 5 CYS HB2 H -2.188 -2.613 0.027 1.00 . A A . 5 CYS HB2 1 1 13 5150 1 1 5 CYS HB3 H -2.578 -2.740 -1.683 1.00 . A A . 5 CYS HB3 1 1 13 5151 1 1 5 CYS N N -1.766 -5.122 -0.389 1.00 . A A . 5 CYS N 1 1 13 5152 1 1 5 CYS O O -3.208 -5.607 -2.651 1.00 . A A . 5 CYS O 1 1 13 5153 1 1 5 CYS SG S -4.462 -2.053 -0.396 1.00 . A A . 5 CYS SG 1 1 13 5154 1 1 6 SER C C -6.695 -4.110 -3.508 1.00 . A A . 6 SER C 1 1 13 5155 1 1 6 SER CA C -5.950 -5.284 -2.874 1.00 . A A . 6 SER CA 1 1 13 5156 1 1 6 SER CB C -6.949 -6.338 -2.393 1.00 . A A . 6 SER CB 1 1 13 5157 1 1 6 SER H H -5.544 -4.350 -1.022 1.00 . A A . 6 SER H 1 1 13 5158 1 1 6 SER HA H -5.301 -5.726 -3.615 1.00 . A A . 6 SER HA 1 1 13 5159 1 1 6 SER HB2 H -7.571 -6.646 -3.220 1.00 . A A . 6 SER HB2 1 1 13 5160 1 1 6 SER HB3 H -6.410 -7.193 -2.010 1.00 . A A . 6 SER HB3 1 1 13 5161 1 1 6 SER HG H -7.236 -5.406 -0.694 1.00 . A A . 6 SER HG 1 1 13 5162 1 1 6 SER N N -5.123 -4.827 -1.766 1.00 . A A . 6 SER N 1 1 13 5163 1 1 6 SER O O -7.700 -4.300 -4.194 1.00 . A A . 6 SER O 1 1 13 5164 1 1 6 SER OG O -7.779 -5.824 -1.366 1.00 . A A . 6 SER OG 1 1 13 5165 1 1 7 LEU C C -6.013 -1.129 -4.982 1.00 . A A . 7 LEU C 1 1 13 5166 1 1 7 LEU CA C -6.826 -1.696 -3.817 1.00 . A A . 7 LEU CA 1 1 13 5167 1 1 7 LEU CB C -6.975 -0.634 -2.726 1.00 . A A . 7 LEU CB 1 1 13 5168 1 1 7 LEU CD1 C -7.252 -0.527 -0.231 1.00 . A A . 7 LEU CD1 1 1 13 5169 1 1 7 LEU CD2 C -9.267 -0.539 -1.716 1.00 . A A . 7 LEU CD2 1 1 13 5170 1 1 7 LEU CG C -7.844 -1.046 -1.534 1.00 . A A . 7 LEU CG 1 1 13 5171 1 1 7 LEU H H -5.396 -2.803 -2.713 1.00 . A A . 7 LEU H 1 1 13 5172 1 1 7 LEU HA H -7.806 -1.971 -4.171 1.00 . A A . 7 LEU HA 1 1 13 5173 1 1 7 LEU HB2 H -5.990 -0.384 -2.359 1.00 . A A . 7 LEU HB2 1 1 13 5174 1 1 7 LEU HB3 H -7.408 0.248 -3.170 1.00 . A A . 7 LEU HB3 1 1 13 5175 1 1 7 LEU HD11 H -7.998 0.040 0.305 1.00 . A A . 7 LEU HD11 1 1 13 5176 1 1 7 LEU HD12 H -6.404 0.107 -0.446 1.00 . A A . 7 LEU HD12 1 1 13 5177 1 1 7 LEU HD13 H -6.931 -1.361 0.375 1.00 . A A . 7 LEU HD13 1 1 13 5178 1 1 7 LEU HD21 H -9.280 0.537 -1.631 1.00 . A A . 7 LEU HD21 1 1 13 5179 1 1 7 LEU HD22 H -9.902 -0.968 -0.955 1.00 . A A . 7 LEU HD22 1 1 13 5180 1 1 7 LEU HD23 H -9.630 -0.827 -2.692 1.00 . A A . 7 LEU HD23 1 1 13 5181 1 1 7 LEU HG H -7.877 -2.124 -1.478 1.00 . A A . 7 LEU HG 1 1 13 5182 1 1 7 LEU N N -6.200 -2.895 -3.270 1.00 . A A . 7 LEU N 1 1 13 5183 1 1 7 LEU O O -4.819 -0.866 -4.841 1.00 . A A . 7 LEU O 1 1 13 5184 1 1 8 PRO C C -5.408 1.021 -7.086 1.00 . A A . 8 PRO C 1 1 13 5185 1 1 8 PRO CA C -5.969 -0.378 -7.333 1.00 . A A . 8 PRO CA 1 1 13 5186 1 1 8 PRO CB C -7.069 -0.326 -8.402 1.00 . A A . 8 PRO CB 1 1 13 5187 1 1 8 PRO CD C -8.070 -1.202 -6.419 1.00 . A A . 8 PRO CD 1 1 13 5188 1 1 8 PRO CG C -8.128 -1.255 -7.918 1.00 . A A . 8 PRO CG 1 1 13 5189 1 1 8 PRO HA H -5.172 -1.028 -7.665 1.00 . A A . 8 PRO HA 1 1 13 5190 1 1 8 PRO HB2 H -7.441 0.684 -8.489 1.00 . A A . 8 PRO HB2 1 1 13 5191 1 1 8 PRO HB3 H -6.667 -0.649 -9.350 1.00 . A A . 8 PRO HB3 1 1 13 5192 1 1 8 PRO HD2 H -8.698 -0.407 -6.044 1.00 . A A . 8 PRO HD2 1 1 13 5193 1 1 8 PRO HD3 H -8.365 -2.151 -5.997 1.00 . A A . 8 PRO HD3 1 1 13 5194 1 1 8 PRO HG2 H -9.095 -0.924 -8.268 1.00 . A A . 8 PRO HG2 1 1 13 5195 1 1 8 PRO HG3 H -7.925 -2.257 -8.265 1.00 . A A . 8 PRO HG3 1 1 13 5196 1 1 8 PRO N N -6.649 -0.924 -6.152 1.00 . A A . 8 PRO N 1 1 13 5197 1 1 8 PRO O O -4.549 1.496 -7.829 1.00 . A A . 8 PRO O 1 1 13 5198 1 1 9 HIS C C -4.041 2.979 -5.113 1.00 . A A . 9 HIS C 1 1 13 5199 1 1 9 HIS CA C -5.447 3.020 -5.690 1.00 . A A . 9 HIS CA 1 1 13 5200 1 1 9 HIS CB C -6.395 3.657 -4.673 1.00 . A A . 9 HIS CB 1 1 13 5201 1 1 9 HIS CD2 C -5.197 5.825 -3.912 1.00 . A A . 9 HIS CD2 1 1 13 5202 1 1 9 HIS CE1 C -6.631 7.281 -4.706 1.00 . A A . 9 HIS CE1 1 1 13 5203 1 1 9 HIS CG C -6.192 5.131 -4.513 1.00 . A A . 9 HIS CG 1 1 13 5204 1 1 9 HIS H H -6.579 1.246 -5.480 1.00 . A A . 9 HIS H 1 1 13 5205 1 1 9 HIS HA H -5.441 3.615 -6.591 1.00 . A A . 9 HIS HA 1 1 13 5206 1 1 9 HIS HB2 H -7.414 3.492 -4.985 1.00 . A A . 9 HIS HB2 1 1 13 5207 1 1 9 HIS HB3 H -6.238 3.194 -3.707 1.00 . A A . 9 HIS HB3 1 1 13 5208 1 1 9 HIS HD1 H -7.902 5.881 -5.489 1.00 . A A . 9 HIS HD1 1 1 13 5209 1 1 9 HIS HD2 H -4.331 5.406 -3.418 1.00 . A A . 9 HIS HD2 1 1 13 5210 1 1 9 HIS HE1 H -7.116 8.212 -4.962 1.00 . A A . 9 HIS HE1 1 1 13 5211 1 1 9 HIS HE2 H -5.001 7.896 -3.630 1.00 . A A . 9 HIS HE2 1 1 13 5212 1 1 9 HIS N N -5.899 1.677 -6.037 1.00 . A A . 9 HIS N 1 1 13 5213 1 1 9 HIS ND1 N -7.074 6.072 -5.000 1.00 . A A . 9 HIS ND1 1 1 13 5214 1 1 9 HIS NE2 N -5.494 7.159 -4.046 1.00 . A A . 9 HIS NE2 1 1 13 5215 1 1 9 HIS O O -3.141 3.678 -5.577 1.00 . A A . 9 HIS O 1 1 13 5216 1 1 10 CYS C C -1.543 1.404 -4.382 1.00 . A A . 10 CYS C 1 1 13 5217 1 1 10 CYS CA C -2.577 2.006 -3.435 1.00 . A A . 10 CYS CA 1 1 13 5218 1 1 10 CYS CB C -2.715 1.127 -2.191 1.00 . A A . 10 CYS CB 1 1 13 5219 1 1 10 CYS H H -4.628 1.624 -3.774 1.00 . A A . 10 CYS H 1 1 13 5220 1 1 10 CYS HA H -2.245 2.988 -3.135 1.00 . A A . 10 CYS HA 1 1 13 5221 1 1 10 CYS HB2 H -2.742 0.092 -2.495 1.00 . A A . 10 CYS HB2 1 1 13 5222 1 1 10 CYS HB3 H -1.860 1.287 -1.551 1.00 . A A . 10 CYS HB3 1 1 13 5223 1 1 10 CYS N N -3.867 2.152 -4.093 1.00 . A A . 10 CYS N 1 1 13 5224 1 1 10 CYS O O -0.342 1.476 -4.126 1.00 . A A . 10 CYS O 1 1 13 5225 1 1 10 CYS SG S -4.215 1.449 -1.205 1.00 . A A . 10 CYS SG 1 1 13 5226 1 1 11 ARG C C -0.627 1.217 -7.483 1.00 . A A . 11 ARG C 1 1 13 5227 1 1 11 ARG CA C -1.120 0.197 -6.456 1.00 . A A . 11 ARG CA 1 1 13 5228 1 1 11 ARG CB C -1.828 -0.958 -7.165 1.00 . A A . 11 ARG CB 1 1 13 5229 1 1 11 ARG CD C -1.259 -1.520 -9.550 1.00 . A A . 11 ARG CD 1 1 13 5230 1 1 11 ARG CG C -0.919 -1.755 -8.087 1.00 . A A . 11 ARG CG 1 1 13 5231 1 1 11 ARG CZ C -0.083 -1.650 -11.712 1.00 . A A . 11 ARG CZ 1 1 13 5232 1 1 11 ARG H H -2.983 0.783 -5.631 1.00 . A A . 11 ARG H 1 1 13 5233 1 1 11 ARG HA H -0.267 -0.193 -5.921 1.00 . A A . 11 ARG HA 1 1 13 5234 1 1 11 ARG HB2 H -2.227 -1.631 -6.420 1.00 . A A . 11 ARG HB2 1 1 13 5235 1 1 11 ARG HB3 H -2.643 -0.560 -7.752 1.00 . A A . 11 ARG HB3 1 1 13 5236 1 1 11 ARG HD2 H -1.902 -2.318 -9.890 1.00 . A A . 11 ARG HD2 1 1 13 5237 1 1 11 ARG HD3 H -1.780 -0.577 -9.638 1.00 . A A . 11 ARG HD3 1 1 13 5238 1 1 11 ARG HE H 0.795 -1.325 -9.949 1.00 . A A . 11 ARG HE 1 1 13 5239 1 1 11 ARG HG2 H 0.104 -1.456 -7.914 1.00 . A A . 11 ARG HG2 1 1 13 5240 1 1 11 ARG HG3 H -1.030 -2.807 -7.865 1.00 . A A . 11 ARG HG3 1 1 13 5241 1 1 11 ARG HH11 H -2.086 -1.903 -11.832 1.00 . A A . 11 ARG HH11 1 1 13 5242 1 1 11 ARG HH12 H -1.235 -1.990 -13.338 1.00 . A A . 11 ARG HH12 1 1 13 5243 1 1 11 ARG HH21 H 1.916 -1.440 -11.928 1.00 . A A . 11 ARG HH21 1 1 13 5244 1 1 11 ARG HH22 H 1.037 -1.728 -13.393 1.00 . A A . 11 ARG HH22 1 1 13 5245 1 1 11 ARG N N -2.013 0.811 -5.478 1.00 . A A . 11 ARG N 1 1 13 5246 1 1 11 ARG NE N -0.065 -1.483 -10.391 1.00 . A A . 11 ARG NE 1 1 13 5247 1 1 11 ARG NH1 N -1.229 -1.865 -12.345 1.00 . A A . 11 ARG NH1 1 1 13 5248 1 1 11 ARG NH2 N 1.049 -1.602 -12.401 1.00 . A A . 11 ARG NH2 1 1 13 5249 1 1 11 ARG O O -0.264 0.855 -8.602 1.00 . A A . 11 ARG O 1 1 13 5250 1 1 12 THR C C 1.328 3.395 -8.301 1.00 . A A . 12 THR C 1 1 13 5251 1 1 12 THR CA C -0.156 3.553 -7.985 1.00 . A A . 12 THR CA 1 1 13 5252 1 1 12 THR CB C -0.411 4.918 -7.343 1.00 . A A . 12 THR CB 1 1 13 5253 1 1 12 THR CG2 C 0.065 6.080 -8.189 1.00 . A A . 12 THR CG2 1 1 13 5254 1 1 12 THR H H -0.907 2.722 -6.195 1.00 . A A . 12 THR H 1 1 13 5255 1 1 12 THR HA H -0.719 3.485 -8.904 1.00 . A A . 12 THR HA 1 1 13 5256 1 1 12 THR HB H 0.113 4.960 -6.397 1.00 . A A . 12 THR HB 1 1 13 5257 1 1 12 THR HG1 H -2.291 4.906 -7.891 1.00 . A A . 12 THR HG1 1 1 13 5258 1 1 12 THR HG21 H 0.598 5.704 -9.050 1.00 . A A . 12 THR HG21 1 1 13 5259 1 1 12 THR HG22 H 0.722 6.706 -7.604 1.00 . A A . 12 THR HG22 1 1 13 5260 1 1 12 THR HG23 H -0.786 6.659 -8.517 1.00 . A A . 12 THR HG23 1 1 13 5261 1 1 12 THR N N -0.611 2.490 -7.097 1.00 . A A . 12 THR N 1 1 13 5262 1 1 12 THR O O 1.699 2.955 -9.389 1.00 . A A . 12 THR O 1 1 13 5263 1 1 12 THR OG1 O -1.792 5.106 -7.095 1.00 . A A . 12 THR OG1 1 1 13 5264 1 1 13 MET C C 4.231 2.738 -6.449 1.00 . A A . 13 MET C 1 1 13 5265 1 1 13 MET CA C 3.616 3.653 -7.508 1.00 . A A . 13 MET CA 1 1 13 5266 1 1 13 MET CB C 4.258 5.040 -7.433 1.00 . A A . 13 MET CB 1 1 13 5267 1 1 13 MET CE C 6.121 7.315 -9.916 1.00 . A A . 13 MET CE 1 1 13 5268 1 1 13 MET CG C 4.100 5.852 -8.708 1.00 . A A . 13 MET CG 1 1 13 5269 1 1 13 MET H H 1.815 4.096 -6.493 1.00 . A A . 13 MET H 1 1 13 5270 1 1 13 MET HA H 3.807 3.232 -8.483 1.00 . A A . 13 MET HA 1 1 13 5271 1 1 13 MET HB2 H 3.805 5.590 -6.622 1.00 . A A . 13 MET HB2 1 1 13 5272 1 1 13 MET HB3 H 5.313 4.925 -7.233 1.00 . A A . 13 MET HB3 1 1 13 5273 1 1 13 MET HE1 H 6.250 7.605 -10.948 1.00 . A A . 13 MET HE1 1 1 13 5274 1 1 13 MET HE2 H 7.072 7.362 -9.407 1.00 . A A . 13 MET HE2 1 1 13 5275 1 1 13 MET HE3 H 5.423 7.986 -9.438 1.00 . A A . 13 MET HE3 1 1 13 5276 1 1 13 MET HG2 H 3.195 5.541 -9.207 1.00 . A A . 13 MET HG2 1 1 13 5277 1 1 13 MET HG3 H 4.024 6.897 -8.445 1.00 . A A . 13 MET HG3 1 1 13 5278 1 1 13 MET N N 2.172 3.756 -7.339 1.00 . A A . 13 MET N 1 1 13 5279 1 1 13 MET O O 5.450 2.599 -6.378 1.00 . A A . 13 MET O 1 1 13 5280 1 1 13 MET SD S 5.486 5.641 -9.842 1.00 . A A . 13 MET SD 1 1 13 5281 1 1 14 LYS C C 4.270 1.989 -3.331 1.00 . A A . 14 LYS C 1 1 13 5282 1 1 14 LYS CA C 3.823 1.212 -4.571 1.00 . A A . 14 LYS CA 1 1 13 5283 1 1 14 LYS CB C 4.943 0.285 -5.081 1.00 . A A . 14 LYS CB 1 1 13 5284 1 1 14 LYS CD C 7.388 0.222 -5.674 1.00 . A A . 14 LYS CD 1 1 13 5285 1 1 14 LYS CE C 7.869 -1.183 -5.347 1.00 . A A . 14 LYS CE 1 1 13 5286 1 1 14 LYS CG C 6.350 0.703 -4.673 1.00 . A A . 14 LYS CG 1 1 13 5287 1 1 14 LYS H H 2.416 2.273 -5.739 1.00 . A A . 14 LYS H 1 1 13 5288 1 1 14 LYS HA H 2.974 0.602 -4.296 1.00 . A A . 14 LYS HA 1 1 13 5289 1 1 14 LYS HB2 H 4.767 -0.709 -4.700 1.00 . A A . 14 LYS HB2 1 1 13 5290 1 1 14 LYS HB3 H 4.901 0.256 -6.160 1.00 . A A . 14 LYS HB3 1 1 13 5291 1 1 14 LYS HD2 H 6.948 0.220 -6.660 1.00 . A A . 14 LYS HD2 1 1 13 5292 1 1 14 LYS HD3 H 8.232 0.895 -5.655 1.00 . A A . 14 LYS HD3 1 1 13 5293 1 1 14 LYS HE2 H 8.869 -1.306 -5.733 1.00 . A A . 14 LYS HE2 1 1 13 5294 1 1 14 LYS HE3 H 7.880 -1.304 -4.274 1.00 . A A . 14 LYS HE3 1 1 13 5295 1 1 14 LYS HG2 H 6.395 1.779 -4.612 1.00 . A A . 14 LYS HG2 1 1 13 5296 1 1 14 LYS HG3 H 6.572 0.278 -3.706 1.00 . A A . 14 LYS HG3 1 1 13 5297 1 1 14 LYS HZ1 H 7.327 -2.477 -6.894 1.00 . A A . 14 LYS HZ1 1 1 13 5298 1 1 14 LYS HZ2 H 6.014 -1.870 -6.018 1.00 . A A . 14 LYS HZ2 1 1 13 5299 1 1 14 LYS HZ3 H 6.990 -3.078 -5.348 1.00 . A A . 14 LYS HZ3 1 1 13 5300 1 1 14 LYS N N 3.376 2.118 -5.630 1.00 . A A . 14 LYS N 1 1 13 5301 1 1 14 LYS NZ N 6.988 -2.225 -5.944 1.00 . A A . 14 LYS NZ 1 1 13 5302 1 1 14 LYS O O 5.023 1.476 -2.503 1.00 . A A . 14 LYS O 1 1 13 5303 1 1 15 ASN C C 3.572 3.478 -0.778 1.00 . A A . 15 ASN C 1 1 13 5304 1 1 15 ASN CA C 4.134 4.065 -2.069 1.00 . A A . 15 ASN CA 1 1 13 5305 1 1 15 ASN CB C 3.596 5.480 -2.283 1.00 . A A . 15 ASN CB 1 1 13 5306 1 1 15 ASN CG C 2.160 5.492 -2.771 1.00 . A A . 15 ASN CG 1 1 13 5307 1 1 15 ASN H H 3.193 3.579 -3.888 1.00 . A A . 15 ASN H 1 1 13 5308 1 1 15 ASN HA H 5.210 4.104 -1.995 1.00 . A A . 15 ASN HA 1 1 13 5309 1 1 15 ASN HB2 H 3.642 6.014 -1.353 1.00 . A A . 15 ASN HB2 1 1 13 5310 1 1 15 ASN HB3 H 4.210 5.984 -3.014 1.00 . A A . 15 ASN HB3 1 1 13 5311 1 1 15 ASN HD21 H 2.651 6.717 -4.259 1.00 . A A . 15 ASN HD21 1 1 13 5312 1 1 15 ASN HD22 H 0.988 6.256 -4.184 1.00 . A A . 15 ASN HD22 1 1 13 5313 1 1 15 ASN N N 3.793 3.225 -3.205 1.00 . A A . 15 ASN N 1 1 13 5314 1 1 15 ASN ND2 N 1.907 6.229 -3.847 1.00 . A A . 15 ASN ND2 1 1 13 5315 1 1 15 ASN O O 2.556 3.943 -0.260 1.00 . A A . 15 ASN O 1 1 13 5316 1 1 15 ASN OD1 O 1.288 4.846 -2.190 1.00 . A A . 15 ASN OD1 1 1 13 5317 1 1 16 VAL C C 3.439 2.773 2.049 1.00 . A A . 16 VAL C 1 1 13 5318 1 1 16 VAL CA C 3.817 1.776 0.957 1.00 . A A . 16 VAL CA 1 1 13 5319 1 1 16 VAL CB C 4.919 0.845 1.494 1.00 . A A . 16 VAL CB 1 1 13 5320 1 1 16 VAL CG1 C 4.392 -0.001 2.645 1.00 . A A . 16 VAL CG1 1 1 13 5321 1 1 16 VAL CG2 C 5.466 -0.037 0.382 1.00 . A A . 16 VAL CG2 1 1 13 5322 1 1 16 VAL H H 5.037 2.125 -0.739 1.00 . A A . 16 VAL H 1 1 13 5323 1 1 16 VAL HA H 2.955 1.173 0.723 1.00 . A A . 16 VAL HA 1 1 13 5324 1 1 16 VAL HB H 5.724 1.456 1.868 1.00 . A A . 16 VAL HB 1 1 13 5325 1 1 16 VAL HG11 H 4.198 -1.004 2.295 1.00 . A A . 16 VAL HG11 1 1 13 5326 1 1 16 VAL HG12 H 3.477 0.432 3.021 1.00 . A A . 16 VAL HG12 1 1 13 5327 1 1 16 VAL HG13 H 5.128 -0.031 3.435 1.00 . A A . 16 VAL HG13 1 1 13 5328 1 1 16 VAL HG21 H 5.687 -1.018 0.775 1.00 . A A . 16 VAL HG21 1 1 13 5329 1 1 16 VAL HG22 H 6.369 0.403 -0.015 1.00 . A A . 16 VAL HG22 1 1 13 5330 1 1 16 VAL HG23 H 4.731 -0.122 -0.405 1.00 . A A . 16 VAL HG23 1 1 13 5331 1 1 16 VAL N N 4.240 2.447 -0.270 1.00 . A A . 16 VAL N 1 1 13 5332 1 1 16 VAL O O 2.438 2.594 2.743 1.00 . A A . 16 VAL O 1 1 13 5333 1 1 17 LEU C C 2.620 5.476 3.009 1.00 . A A . 17 LEU C 1 1 13 5334 1 1 17 LEU CA C 3.985 4.835 3.217 1.00 . A A . 17 LEU CA 1 1 13 5335 1 1 17 LEU CB C 5.077 5.906 3.191 1.00 . A A . 17 LEU CB 1 1 13 5336 1 1 17 LEU CD1 C 7.562 6.203 3.321 1.00 . A A . 17 LEU CD1 1 1 13 5337 1 1 17 LEU CD2 C 6.220 5.985 5.420 1.00 . A A . 17 LEU CD2 1 1 13 5338 1 1 17 LEU CG C 6.347 5.555 3.966 1.00 . A A . 17 LEU CG 1 1 13 5339 1 1 17 LEU H H 5.030 3.909 1.623 1.00 . A A . 17 LEU H 1 1 13 5340 1 1 17 LEU HA H 3.993 4.349 4.175 1.00 . A A . 17 LEU HA 1 1 13 5341 1 1 17 LEU HB2 H 5.347 6.089 2.161 1.00 . A A . 17 LEU HB2 1 1 13 5342 1 1 17 LEU HB3 H 4.669 6.816 3.606 1.00 . A A . 17 LEU HB3 1 1 13 5343 1 1 17 LEU HD11 H 8.002 5.518 2.611 1.00 . A A . 17 LEU HD11 1 1 13 5344 1 1 17 LEU HD12 H 8.288 6.446 4.083 1.00 . A A . 17 LEU HD12 1 1 13 5345 1 1 17 LEU HD13 H 7.260 7.106 2.811 1.00 . A A . 17 LEU HD13 1 1 13 5346 1 1 17 LEU HD21 H 6.190 7.063 5.475 1.00 . A A . 17 LEU HD21 1 1 13 5347 1 1 17 LEU HD22 H 7.068 5.619 5.979 1.00 . A A . 17 LEU HD22 1 1 13 5348 1 1 17 LEU HD23 H 5.311 5.578 5.837 1.00 . A A . 17 LEU HD23 1 1 13 5349 1 1 17 LEU HG H 6.490 4.484 3.945 1.00 . A A . 17 LEU HG 1 1 13 5350 1 1 17 LEU N N 4.244 3.819 2.202 1.00 . A A . 17 LEU N 1 1 13 5351 1 1 17 LEU O O 1.925 5.814 3.967 1.00 . A A . 17 LEU O 1 1 13 5352 1 1 18 ASN C C -0.178 5.229 1.630 1.00 . A A . 18 ASN C 1 1 13 5353 1 1 18 ASN CA C 0.958 6.221 1.400 1.00 . A A . 18 ASN CA 1 1 13 5354 1 1 18 ASN CB C 0.963 6.683 -0.060 1.00 . A A . 18 ASN CB 1 1 13 5355 1 1 18 ASN CG C 0.688 8.168 -0.198 1.00 . A A . 18 ASN CG 1 1 13 5356 1 1 18 ASN H H 2.844 5.331 1.039 1.00 . A A . 18 ASN H 1 1 13 5357 1 1 18 ASN HA H 0.804 7.077 2.038 1.00 . A A . 18 ASN HA 1 1 13 5358 1 1 18 ASN HB2 H 1.929 6.474 -0.493 1.00 . A A . 18 ASN HB2 1 1 13 5359 1 1 18 ASN HB3 H 0.204 6.142 -0.607 1.00 . A A . 18 ASN HB3 1 1 13 5360 1 1 18 ASN HD21 H 1.950 8.565 1.286 1.00 . A A . 18 ASN HD21 1 1 13 5361 1 1 18 ASN HD22 H 1.180 9.935 0.569 1.00 . A A . 18 ASN HD22 1 1 13 5362 1 1 18 ASN N N 2.243 5.630 1.750 1.00 . A A . 18 ASN N 1 1 13 5363 1 1 18 ASN ND2 N 1.338 8.970 0.637 1.00 . A A . 18 ASN ND2 1 1 13 5364 1 1 18 ASN O O -1.311 5.619 1.910 1.00 . A A . 18 ASN O 1 1 13 5365 1 1 18 ASN OD1 O -0.098 8.589 -1.046 1.00 . A A . 18 ASN OD1 1 1 13 5366 1 1 19 HIS C C -1.153 2.672 3.168 1.00 . A A . 19 HIS C 1 1 13 5367 1 1 19 HIS CA C -0.857 2.894 1.685 1.00 . A A . 19 HIS CA 1 1 13 5368 1 1 19 HIS CB C -0.376 1.594 1.020 1.00 . A A . 19 HIS CB 1 1 13 5369 1 1 19 HIS CD2 C -0.333 -0.529 2.488 1.00 . A A . 19 HIS CD2 1 1 13 5370 1 1 19 HIS CE1 C -2.360 -1.200 2.072 1.00 . A A . 19 HIS CE1 1 1 13 5371 1 1 19 HIS CG C -0.926 0.340 1.633 1.00 . A A . 19 HIS CG 1 1 13 5372 1 1 19 HIS H H 1.055 3.699 1.270 1.00 . A A . 19 HIS H 1 1 13 5373 1 1 19 HIS HA H -1.763 3.217 1.199 1.00 . A A . 19 HIS HA 1 1 13 5374 1 1 19 HIS HB2 H -0.667 1.605 -0.019 1.00 . A A . 19 HIS HB2 1 1 13 5375 1 1 19 HIS HB3 H 0.701 1.549 1.082 1.00 . A A . 19 HIS HB3 1 1 13 5376 1 1 19 HIS HD2 H 0.665 -0.461 2.889 1.00 . A A . 19 HIS HD2 1 1 13 5377 1 1 19 HIS HE1 H -3.278 -1.767 2.105 1.00 . A A . 19 HIS HE1 1 1 13 5378 1 1 19 HIS HE2 H -1.066 -2.365 3.199 1.00 . A A . 19 HIS HE2 1 1 13 5379 1 1 19 HIS N N 0.135 3.945 1.500 1.00 . A A . 19 HIS N 1 1 13 5380 1 1 19 HIS ND1 N -2.204 -0.094 1.376 1.00 . A A . 19 HIS ND1 1 1 13 5381 1 1 19 HIS NE2 N -1.253 -1.508 2.762 1.00 . A A . 19 HIS NE2 1 1 13 5382 1 1 19 HIS O O -2.294 2.797 3.607 1.00 . A A . 19 HIS O 1 1 13 5383 1 1 20 MET C C -0.930 3.303 6.061 1.00 . A A . 20 MET C 1 1 13 5384 1 1 20 MET CA C -0.290 2.103 5.368 1.00 . A A . 20 MET CA 1 1 13 5385 1 1 20 MET CB C 1.058 1.781 6.015 1.00 . A A . 20 MET CB 1 1 13 5386 1 1 20 MET CE C 2.812 1.204 9.154 1.00 . A A . 20 MET CE 1 1 13 5387 1 1 20 MET CG C 0.966 0.759 7.136 1.00 . A A . 20 MET CG 1 1 13 5388 1 1 20 MET H H 0.767 2.254 3.537 1.00 . A A . 20 MET H 1 1 13 5389 1 1 20 MET HA H -0.946 1.254 5.482 1.00 . A A . 20 MET HA 1 1 13 5390 1 1 20 MET HB2 H 1.724 1.395 5.258 1.00 . A A . 20 MET HB2 1 1 13 5391 1 1 20 MET HB3 H 1.475 2.691 6.420 1.00 . A A . 20 MET HB3 1 1 13 5392 1 1 20 MET HE1 H 1.893 1.723 9.379 1.00 . A A . 20 MET HE1 1 1 13 5393 1 1 20 MET HE2 H 3.598 1.923 8.975 1.00 . A A . 20 MET HE2 1 1 13 5394 1 1 20 MET HE3 H 3.084 0.574 9.989 1.00 . A A . 20 MET HE3 1 1 13 5395 1 1 20 MET HG2 H 0.450 1.207 7.972 1.00 . A A . 20 MET HG2 1 1 13 5396 1 1 20 MET HG3 H 0.403 -0.093 6.783 1.00 . A A . 20 MET HG3 1 1 13 5397 1 1 20 MET N N -0.123 2.342 3.937 1.00 . A A . 20 MET N 1 1 13 5398 1 1 20 MET O O -1.519 3.169 7.133 1.00 . A A . 20 MET O 1 1 13 5399 1 1 20 MET SD S 2.584 0.192 7.693 1.00 . A A . 20 MET SD 1 1 13 5400 1 1 21 THR C C -2.902 5.605 6.084 1.00 . A A . 21 THR C 1 1 13 5401 1 1 21 THR CA C -1.379 5.692 6.006 1.00 . A A . 21 THR CA 1 1 13 5402 1 1 21 THR CB C -0.954 6.902 5.167 1.00 . A A . 21 THR CB 1 1 13 5403 1 1 21 THR CG2 C -1.908 7.236 4.037 1.00 . A A . 21 THR CG2 1 1 13 5404 1 1 21 THR H H -0.331 4.521 4.593 1.00 . A A . 21 THR H 1 1 13 5405 1 1 21 THR HA H -0.989 5.805 7.005 1.00 . A A . 21 THR HA 1 1 13 5406 1 1 21 THR HB H 0.010 6.693 4.730 1.00 . A A . 21 THR HB 1 1 13 5407 1 1 21 THR HG1 H 0.031 8.062 6.400 1.00 . A A . 21 THR HG1 1 1 13 5408 1 1 21 THR HG21 H -2.617 7.978 4.371 1.00 . A A . 21 THR HG21 1 1 13 5409 1 1 21 THR HG22 H -2.436 6.343 3.736 1.00 . A A . 21 THR HG22 1 1 13 5410 1 1 21 THR HG23 H -1.349 7.624 3.197 1.00 . A A . 21 THR HG23 1 1 13 5411 1 1 21 THR N N -0.811 4.474 5.445 1.00 . A A . 21 THR N 1 1 13 5412 1 1 21 THR O O -3.531 6.272 6.905 1.00 . A A . 21 THR O 1 1 13 5413 1 1 21 THR OG1 O -0.831 8.057 5.978 1.00 . A A . 21 THR OG1 1 1 13 5414 1 1 22 HIS C C -5.359 3.164 5.261 1.00 . A A . 22 HIS C 1 1 13 5415 1 1 22 HIS CA C -4.940 4.627 5.180 1.00 . A A . 22 HIS CA 1 1 13 5416 1 1 22 HIS CB C -5.515 5.244 3.903 1.00 . A A . 22 HIS CB 1 1 13 5417 1 1 22 HIS CD2 C -4.505 3.446 2.296 1.00 . A A . 22 HIS CD2 1 1 13 5418 1 1 22 HIS CE1 C -4.185 4.738 0.558 1.00 . A A . 22 HIS CE1 1 1 13 5419 1 1 22 HIS CG C -4.926 4.696 2.633 1.00 . A A . 22 HIS CG 1 1 13 5420 1 1 22 HIS H H -2.928 4.291 4.580 1.00 . A A . 22 HIS H 1 1 13 5421 1 1 22 HIS HA H -5.349 5.150 6.031 1.00 . A A . 22 HIS HA 1 1 13 5422 1 1 22 HIS HB2 H -6.579 5.066 3.875 1.00 . A A . 22 HIS HB2 1 1 13 5423 1 1 22 HIS HB3 H -5.337 6.310 3.918 1.00 . A A . 22 HIS HB3 1 1 13 5424 1 1 22 HIS HD1 H -4.912 6.433 1.441 1.00 . A A . 22 HIS HD1 1 1 13 5425 1 1 22 HIS HD2 H -4.529 2.559 2.920 1.00 . A A . 22 HIS HD2 1 1 13 5426 1 1 22 HIS HE1 H -3.922 5.082 -0.433 1.00 . A A . 22 HIS HE1 1 1 13 5427 1 1 22 HIS HE2 H -3.463 2.837 0.598 1.00 . A A . 22 HIS HE2 1 1 13 5428 1 1 22 HIS N N -3.486 4.789 5.215 1.00 . A A . 22 HIS N 1 1 13 5429 1 1 22 HIS ND1 N -4.710 5.477 1.518 1.00 . A A . 22 HIS ND1 1 1 13 5430 1 1 22 HIS NE2 N -4.047 3.505 1.005 1.00 . A A . 22 HIS NE2 1 1 13 5431 1 1 22 HIS O O -6.528 2.861 5.496 1.00 . A A . 22 HIS O 1 1 13 5432 1 1 23 CYS C C -4.098 0.172 6.278 1.00 . A A . 23 CYS C 1 1 13 5433 1 1 23 CYS CA C -4.706 0.847 5.051 1.00 . A A . 23 CYS CA 1 1 13 5434 1 1 23 CYS CB C -4.149 0.237 3.776 1.00 . A A . 23 CYS CB 1 1 13 5435 1 1 23 CYS H H -3.508 2.546 4.826 1.00 . A A . 23 CYS H 1 1 13 5436 1 1 23 CYS HA H -5.777 0.719 5.068 1.00 . A A . 23 CYS HA 1 1 13 5437 1 1 23 CYS HB2 H -3.337 0.855 3.422 1.00 . A A . 23 CYS HB2 1 1 13 5438 1 1 23 CYS HB3 H -3.770 -0.741 3.994 1.00 . A A . 23 CYS HB3 1 1 13 5439 1 1 23 CYS N N -4.417 2.261 5.035 1.00 . A A . 23 CYS N 1 1 13 5440 1 1 23 CYS O O -3.567 0.838 7.166 1.00 . A A . 23 CYS O 1 1 13 5441 1 1 23 CYS SG S -5.358 0.094 2.415 1.00 . A A . 23 CYS SG 1 1 13 5442 1 1 24 GLN C C -3.693 -3.416 7.148 1.00 . A A . 24 GLN C 1 1 13 5443 1 1 24 GLN CA C -3.638 -1.919 7.436 1.00 . A A . 24 GLN CA 1 1 13 5444 1 1 24 GLN CB C -4.410 -1.605 8.719 1.00 . A A . 24 GLN CB 1 1 13 5445 1 1 24 GLN CD C -6.667 -1.572 9.851 1.00 . A A . 24 GLN CD 1 1 13 5446 1 1 24 GLN CG C -5.918 -1.592 8.533 1.00 . A A . 24 GLN CG 1 1 13 5447 1 1 24 GLN H H -4.615 -1.629 5.580 1.00 . A A . 24 GLN H 1 1 13 5448 1 1 24 GLN HA H -2.606 -1.628 7.567 1.00 . A A . 24 GLN HA 1 1 13 5449 1 1 24 GLN HB2 H -4.167 -2.350 9.462 1.00 . A A . 24 GLN HB2 1 1 13 5450 1 1 24 GLN HB3 H -4.104 -0.634 9.080 1.00 . A A . 24 GLN HB3 1 1 13 5451 1 1 24 GLN HE21 H -7.535 -3.306 9.412 1.00 . A A . 24 GLN HE21 1 1 13 5452 1 1 24 GLN HE22 H -7.968 -2.614 10.935 1.00 . A A . 24 GLN HE22 1 1 13 5453 1 1 24 GLN HG2 H -6.191 -0.712 7.969 1.00 . A A . 24 GLN HG2 1 1 13 5454 1 1 24 GLN HG3 H -6.208 -2.475 7.984 1.00 . A A . 24 GLN HG3 1 1 13 5455 1 1 24 GLN N N -4.180 -1.154 6.319 1.00 . A A . 24 GLN N 1 1 13 5456 1 1 24 GLN NE2 N -7.471 -2.601 10.090 1.00 . A A . 24 GLN NE2 1 1 13 5457 1 1 24 GLN O O -4.745 -3.952 6.799 1.00 . A A . 24 GLN O 1 1 13 5458 1 1 24 GLN OE1 O -6.525 -0.642 10.645 1.00 . A A . 24 GLN OE1 1 1 13 5459 1 1 25 ALA C C -1.097 -6.061 7.421 1.00 . A A . 25 ALA C 1 1 13 5460 1 1 25 ALA CA C -2.474 -5.519 7.054 1.00 . A A . 25 ALA CA 1 1 13 5461 1 1 25 ALA CB C -2.792 -5.826 5.598 1.00 . A A . 25 ALA CB 1 1 13 5462 1 1 25 ALA H H -1.750 -3.601 7.578 1.00 . A A . 25 ALA H 1 1 13 5463 1 1 25 ALA HA H -3.217 -6.004 7.670 1.00 . A A . 25 ALA HA 1 1 13 5464 1 1 25 ALA HB1 H -3.441 -5.059 5.202 1.00 . A A . 25 ALA HB1 1 1 13 5465 1 1 25 ALA HB2 H -3.285 -6.784 5.531 1.00 . A A . 25 ALA HB2 1 1 13 5466 1 1 25 ALA HB3 H -1.876 -5.851 5.027 1.00 . A A . 25 ALA HB3 1 1 13 5467 1 1 25 ALA N N -2.555 -4.084 7.297 1.00 . A A . 25 ALA N 1 1 13 5468 1 1 25 ALA O O -0.073 -5.489 7.048 1.00 . A A . 25 ALA O 1 1 13 5469 1 1 26 GLY C C 0.592 -7.357 9.961 1.00 . A A . 26 GLY C 1 1 13 5470 1 1 26 GLY CA C 0.177 -7.770 8.562 1.00 . A A . 26 GLY CA 1 1 13 5471 1 1 26 GLY H H -1.927 -7.581 8.425 1.00 . A A . 26 GLY H 1 1 13 5472 1 1 26 GLY HA2 H 0.077 -8.844 8.531 1.00 . A A . 26 GLY HA2 1 1 13 5473 1 1 26 GLY HA3 H 0.948 -7.470 7.867 1.00 . A A . 26 GLY HA3 1 1 13 5474 1 1 26 GLY N N -1.079 -7.169 8.156 1.00 . A A . 26 GLY N 1 1 13 5475 1 1 26 GLY O O 0.532 -8.157 10.895 1.00 . A A . 26 GLY O 1 1 13 5476 1 1 27 LYS C C 0.805 -4.232 11.681 1.00 . A A . 27 LYS C 1 1 13 5477 1 1 27 LYS CA C 1.443 -5.588 11.400 1.00 . A A . 27 LYS CA 1 1 13 5478 1 1 27 LYS CB C 2.967 -5.468 11.447 1.00 . A A . 27 LYS CB 1 1 13 5479 1 1 27 LYS CD C 4.925 -6.419 12.703 1.00 . A A . 27 LYS CD 1 1 13 5480 1 1 27 LYS CE C 4.833 -7.928 12.857 1.00 . A A . 27 LYS CE 1 1 13 5481 1 1 27 LYS CG C 3.558 -5.763 12.816 1.00 . A A . 27 LYS CG 1 1 13 5482 1 1 27 LYS H H 1.041 -5.516 9.323 1.00 . A A . 27 LYS H 1 1 13 5483 1 1 27 LYS HA H 1.122 -6.287 12.158 1.00 . A A . 27 LYS HA 1 1 13 5484 1 1 27 LYS HB2 H 3.393 -6.162 10.738 1.00 . A A . 27 LYS HB2 1 1 13 5485 1 1 27 LYS HB3 H 3.246 -4.463 11.167 1.00 . A A . 27 LYS HB3 1 1 13 5486 1 1 27 LYS HD2 H 5.344 -6.191 11.734 1.00 . A A . 27 LYS HD2 1 1 13 5487 1 1 27 LYS HD3 H 5.568 -6.025 13.477 1.00 . A A . 27 LYS HD3 1 1 13 5488 1 1 27 LYS HE2 H 4.690 -8.162 13.902 1.00 . A A . 27 LYS HE2 1 1 13 5489 1 1 27 LYS HE3 H 3.985 -8.284 12.290 1.00 . A A . 27 LYS HE3 1 1 13 5490 1 1 27 LYS HG2 H 3.659 -4.836 13.361 1.00 . A A . 27 LYS HG2 1 1 13 5491 1 1 27 LYS HG3 H 2.893 -6.426 13.350 1.00 . A A . 27 LYS HG3 1 1 13 5492 1 1 27 LYS HZ1 H 6.152 -9.547 12.820 1.00 . A A . 27 LYS HZ1 1 1 13 5493 1 1 27 LYS HZ2 H 6.903 -8.047 12.608 1.00 . A A . 27 LYS HZ2 1 1 13 5494 1 1 27 LYS HZ3 H 6.020 -8.736 11.341 1.00 . A A . 27 LYS HZ3 1 1 13 5495 1 1 27 LYS N N 1.016 -6.106 10.106 1.00 . A A . 27 LYS N 1 1 13 5496 1 1 27 LYS NZ N 6.063 -8.612 12.373 1.00 . A A . 27 LYS NZ 1 1 13 5497 1 1 27 LYS O O 0.451 -3.976 12.851 1.00 . A A . 27 LYS O 1 1 13 5498 1 1 27 LYS OXT O 0.666 -3.436 10.729 1.00 . A A . 27 LYS OXT 1 1 13 5499 2 2 1 ZN ZN ZN -4.016 -0.024 0.545 1.00 . B A . 28 ZN ZN 1 1 14 5500 1 1 1 GLU C C 1.218 -2.966 1.339 1.00 . A A . 1 GLU C 1 1 14 5501 1 1 1 GLU CA C 2.122 -3.104 2.557 1.00 . A A . 1 GLU CA 1 1 14 5502 1 1 1 GLU CB C 3.135 -4.230 2.339 1.00 . A A . 1 GLU CB 1 1 14 5503 1 1 1 GLU CD C 5.313 -5.293 3.050 1.00 . A A . 1 GLU CD 1 1 14 5504 1 1 1 GLU CG C 4.348 -4.141 3.250 1.00 . A A . 1 GLU CG 1 1 14 5505 1 1 1 GLU H1 H 1.999 -3.712 4.518 1.00 . A A . 1 GLU H1 1 1 14 5506 1 1 1 GLU H2 H 0.657 -4.157 3.546 1.00 . A A . 1 GLU H2 1 1 14 5507 1 1 1 GLU H3 H 0.843 -2.531 4.063 1.00 . A A . 1 GLU H3 1 1 14 5508 1 1 1 GLU HA H 2.650 -2.173 2.704 1.00 . A A . 1 GLU HA 1 1 14 5509 1 1 1 GLU HB2 H 2.646 -5.177 2.517 1.00 . A A . 1 GLU HB2 1 1 14 5510 1 1 1 GLU HB3 H 3.477 -4.198 1.315 1.00 . A A . 1 GLU HB3 1 1 14 5511 1 1 1 GLU HG2 H 4.868 -3.217 3.047 1.00 . A A . 1 GLU HG2 1 1 14 5512 1 1 1 GLU HG3 H 4.012 -4.145 4.277 1.00 . A A . 1 GLU HG3 1 1 14 5513 1 1 1 GLU N N 1.334 -3.403 3.781 1.00 . A A . 1 GLU N 1 1 14 5514 1 1 1 GLU O O 0.334 -3.791 1.108 1.00 . A A . 1 GLU O 1 1 14 5515 1 1 1 GLU OE1 O 5.131 -6.340 3.707 1.00 . A A . 1 GLU OE1 1 1 14 5516 1 1 1 GLU OE2 O 6.249 -5.149 2.237 1.00 . A A . 1 GLU OE2 1 1 14 5517 1 1 2 VAL C C 0.749 -2.810 -1.615 1.00 . A A . 2 VAL C 1 1 14 5518 1 1 2 VAL CA C 0.661 -1.649 -0.628 1.00 . A A . 2 VAL CA 1 1 14 5519 1 1 2 VAL CB C 1.124 -0.351 -1.317 1.00 . A A . 2 VAL CB 1 1 14 5520 1 1 2 VAL CG1 C 2.500 -0.529 -1.944 1.00 . A A . 2 VAL CG1 1 1 14 5521 1 1 2 VAL CG2 C 0.108 0.098 -2.356 1.00 . A A . 2 VAL CG2 1 1 14 5522 1 1 2 VAL H H 2.166 -1.291 0.810 1.00 . A A . 2 VAL H 1 1 14 5523 1 1 2 VAL HA H -0.369 -1.524 -0.328 1.00 . A A . 2 VAL HA 1 1 14 5524 1 1 2 VAL HB H 1.199 0.418 -0.563 1.00 . A A . 2 VAL HB 1 1 14 5525 1 1 2 VAL HG11 H 3.035 0.408 -1.908 1.00 . A A . 2 VAL HG11 1 1 14 5526 1 1 2 VAL HG12 H 2.390 -0.840 -2.972 1.00 . A A . 2 VAL HG12 1 1 14 5527 1 1 2 VAL HG13 H 3.051 -1.279 -1.397 1.00 . A A . 2 VAL HG13 1 1 14 5528 1 1 2 VAL HG21 H 0.474 -0.139 -3.344 1.00 . A A . 2 VAL HG21 1 1 14 5529 1 1 2 VAL HG22 H -0.044 1.164 -2.274 1.00 . A A . 2 VAL HG22 1 1 14 5530 1 1 2 VAL HG23 H -0.829 -0.413 -2.188 1.00 . A A . 2 VAL HG23 1 1 14 5531 1 1 2 VAL N N 1.448 -1.912 0.567 1.00 . A A . 2 VAL N 1 1 14 5532 1 1 2 VAL O O -0.206 -3.100 -2.336 1.00 . A A . 2 VAL O 1 1 14 5533 1 1 3 ARG C C 1.129 -5.725 -2.239 1.00 . A A . 3 ARG C 1 1 14 5534 1 1 3 ARG CA C 2.115 -4.601 -2.536 1.00 . A A . 3 ARG CA 1 1 14 5535 1 1 3 ARG CB C 3.550 -5.117 -2.406 1.00 . A A . 3 ARG CB 1 1 14 5536 1 1 3 ARG CD C 4.700 -5.401 -4.622 1.00 . A A . 3 ARG CD 1 1 14 5537 1 1 3 ARG CG C 3.945 -6.096 -3.500 1.00 . A A . 3 ARG CG 1 1 14 5538 1 1 3 ARG CZ C 5.868 -6.068 -6.687 1.00 . A A . 3 ARG CZ 1 1 14 5539 1 1 3 ARG H H 2.625 -3.193 -1.040 1.00 . A A . 3 ARG H 1 1 14 5540 1 1 3 ARG HA H 1.957 -4.256 -3.547 1.00 . A A . 3 ARG HA 1 1 14 5541 1 1 3 ARG HB2 H 4.227 -4.277 -2.442 1.00 . A A . 3 ARG HB2 1 1 14 5542 1 1 3 ARG HB3 H 3.656 -5.614 -1.453 1.00 . A A . 3 ARG HB3 1 1 14 5543 1 1 3 ARG HD2 H 4.114 -4.562 -4.967 1.00 . A A . 3 ARG HD2 1 1 14 5544 1 1 3 ARG HD3 H 5.644 -5.046 -4.237 1.00 . A A . 3 ARG HD3 1 1 14 5545 1 1 3 ARG HE H 4.412 -7.112 -5.808 1.00 . A A . 3 ARG HE 1 1 14 5546 1 1 3 ARG HG2 H 4.578 -6.860 -3.074 1.00 . A A . 3 ARG HG2 1 1 14 5547 1 1 3 ARG HG3 H 3.052 -6.549 -3.904 1.00 . A A . 3 ARG HG3 1 1 14 5548 1 1 3 ARG HH11 H 6.500 -4.317 -5.895 1.00 . A A . 3 ARG HH11 1 1 14 5549 1 1 3 ARG HH12 H 7.305 -4.809 -7.347 1.00 . A A . 3 ARG HH12 1 1 14 5550 1 1 3 ARG HH21 H 5.471 -7.761 -7.717 1.00 . A A . 3 ARG HH21 1 1 14 5551 1 1 3 ARG HH22 H 6.721 -6.763 -8.382 1.00 . A A . 3 ARG HH22 1 1 14 5552 1 1 3 ARG N N 1.902 -3.471 -1.640 1.00 . A A . 3 ARG N 1 1 14 5553 1 1 3 ARG NE N 4.953 -6.297 -5.748 1.00 . A A . 3 ARG NE 1 1 14 5554 1 1 3 ARG NH1 N 6.619 -4.975 -6.638 1.00 . A A . 3 ARG NH1 1 1 14 5555 1 1 3 ARG NH2 N 6.034 -6.935 -7.676 1.00 . A A . 3 ARG NH2 1 1 14 5556 1 1 3 ARG O O 0.766 -6.496 -3.128 1.00 . A A . 3 ARG O 1 1 14 5557 1 1 4 ALA C C -1.678 -6.317 -0.533 1.00 . A A . 4 ALA C 1 1 14 5558 1 1 4 ALA CA C -0.246 -6.847 -0.574 1.00 . A A . 4 ALA CA 1 1 14 5559 1 1 4 ALA CB C 0.148 -7.411 0.783 1.00 . A A . 4 ALA CB 1 1 14 5560 1 1 4 ALA H H 1.023 -5.172 -0.320 1.00 . A A . 4 ALA H 1 1 14 5561 1 1 4 ALA HA H -0.194 -7.646 -1.296 1.00 . A A . 4 ALA HA 1 1 14 5562 1 1 4 ALA HB1 H 1.028 -8.027 0.675 1.00 . A A . 4 ALA HB1 1 1 14 5563 1 1 4 ALA HB2 H -0.663 -8.006 1.175 1.00 . A A . 4 ALA HB2 1 1 14 5564 1 1 4 ALA HB3 H 0.359 -6.598 1.463 1.00 . A A . 4 ALA HB3 1 1 14 5565 1 1 4 ALA N N 0.698 -5.814 -0.984 1.00 . A A . 4 ALA N 1 1 14 5566 1 1 4 ALA O O -2.604 -7.041 -0.168 1.00 . A A . 4 ALA O 1 1 14 5567 1 1 5 CYS C C -4.006 -4.943 -2.095 1.00 . A A . 5 CYS C 1 1 14 5568 1 1 5 CYS CA C -3.181 -4.443 -0.915 1.00 . A A . 5 CYS CA 1 1 14 5569 1 1 5 CYS CB C -3.071 -2.921 -0.984 1.00 . A A . 5 CYS CB 1 1 14 5570 1 1 5 CYS H H -1.087 -4.525 -1.194 1.00 . A A . 5 CYS H 1 1 14 5571 1 1 5 CYS HA H -3.676 -4.715 0.005 1.00 . A A . 5 CYS HA 1 1 14 5572 1 1 5 CYS HB2 H -2.323 -2.588 -0.288 1.00 . A A . 5 CYS HB2 1 1 14 5573 1 1 5 CYS HB3 H -2.782 -2.632 -1.983 1.00 . A A . 5 CYS HB3 1 1 14 5574 1 1 5 CYS N N -1.858 -5.055 -0.910 1.00 . A A . 5 CYS N 1 1 14 5575 1 1 5 CYS O O -3.463 -5.450 -3.076 1.00 . A A . 5 CYS O 1 1 14 5576 1 1 5 CYS SG S -4.622 -2.059 -0.583 1.00 . A A . 5 CYS SG 1 1 14 5577 1 1 6 SER C C -6.985 -4.015 -3.634 1.00 . A A . 6 SER C 1 1 14 5578 1 1 6 SER CA C -6.222 -5.208 -3.062 1.00 . A A . 6 SER CA 1 1 14 5579 1 1 6 SER CB C -7.206 -6.256 -2.539 1.00 . A A . 6 SER CB 1 1 14 5580 1 1 6 SER H H -5.695 -4.368 -1.194 1.00 . A A . 6 SER H 1 1 14 5581 1 1 6 SER HA H -5.624 -5.648 -3.847 1.00 . A A . 6 SER HA 1 1 14 5582 1 1 6 SER HB2 H -8.039 -6.336 -3.221 1.00 . A A . 6 SER HB2 1 1 14 5583 1 1 6 SER HB3 H -6.707 -7.211 -2.467 1.00 . A A . 6 SER HB3 1 1 14 5584 1 1 6 SER HG H -7.112 -6.246 -0.582 1.00 . A A . 6 SER HG 1 1 14 5585 1 1 6 SER N N -5.321 -4.785 -1.998 1.00 . A A . 6 SER N 1 1 14 5586 1 1 6 SER O O -8.023 -4.183 -4.274 1.00 . A A . 6 SER O 1 1 14 5587 1 1 6 SER OG O -7.698 -5.900 -1.259 1.00 . A A . 6 SER OG 1 1 14 5588 1 1 7 LEU C C -6.355 -1.017 -5.088 1.00 . A A . 7 LEU C 1 1 14 5589 1 1 7 LEU CA C -7.113 -1.596 -3.895 1.00 . A A . 7 LEU CA 1 1 14 5590 1 1 7 LEU CB C -7.205 -0.546 -2.785 1.00 . A A . 7 LEU CB 1 1 14 5591 1 1 7 LEU CD1 C -7.380 -0.531 -0.278 1.00 . A A . 7 LEU CD1 1 1 14 5592 1 1 7 LEU CD2 C -9.446 -0.340 -1.679 1.00 . A A . 7 LEU CD2 1 1 14 5593 1 1 7 LEU CG C -8.055 -0.950 -1.577 1.00 . A A . 7 LEU CG 1 1 14 5594 1 1 7 LEU H H -5.637 -2.732 -2.882 1.00 . A A . 7 LEU H 1 1 14 5595 1 1 7 LEU HA H -8.111 -1.859 -4.211 1.00 . A A . 7 LEU HA 1 1 14 5596 1 1 7 LEU HB2 H -6.205 -0.327 -2.441 1.00 . A A . 7 LEU HB2 1 1 14 5597 1 1 7 LEU HB3 H -7.626 0.354 -3.207 1.00 . A A . 7 LEU HB3 1 1 14 5598 1 1 7 LEU HD11 H -8.072 0.044 0.320 1.00 . A A . 7 LEU HD11 1 1 14 5599 1 1 7 LEU HD12 H -6.512 0.072 -0.501 1.00 . A A . 7 LEU HD12 1 1 14 5600 1 1 7 LEU HD13 H -7.076 -1.411 0.269 1.00 . A A . 7 LEU HD13 1 1 14 5601 1 1 7 LEU HD21 H -10.091 -0.788 -0.937 1.00 . A A . 7 LEU HD21 1 1 14 5602 1 1 7 LEU HD22 H -9.848 -0.523 -2.664 1.00 . A A . 7 LEU HD22 1 1 14 5603 1 1 7 LEU HD23 H -9.384 0.725 -1.507 1.00 . A A . 7 LEU HD23 1 1 14 5604 1 1 7 LEU HG H -8.162 -2.025 -1.565 1.00 . A A . 7 LEU HG 1 1 14 5605 1 1 7 LEU N N -6.469 -2.808 -3.399 1.00 . A A . 7 LEU N 1 1 14 5606 1 1 7 LEU O O -5.127 -1.080 -5.143 1.00 . A A . 7 LEU O 1 1 14 5607 1 1 8 PRO C C -5.892 1.550 -6.967 1.00 . A A . 8 PRO C 1 1 14 5608 1 1 8 PRO CA C -6.473 0.166 -7.248 1.00 . A A . 8 PRO CA 1 1 14 5609 1 1 8 PRO CB C -7.647 0.266 -8.217 1.00 . A A . 8 PRO CB 1 1 14 5610 1 1 8 PRO CD C -8.553 -0.307 -6.071 1.00 . A A . 8 PRO CD 1 1 14 5611 1 1 8 PRO CG C -8.839 0.452 -7.342 1.00 . A A . 8 PRO CG 1 1 14 5612 1 1 8 PRO HA H -5.707 -0.470 -7.666 1.00 . A A . 8 PRO HA 1 1 14 5613 1 1 8 PRO HB2 H -7.503 1.110 -8.877 1.00 . A A . 8 PRO HB2 1 1 14 5614 1 1 8 PRO HB3 H -7.721 -0.643 -8.795 1.00 . A A . 8 PRO HB3 1 1 14 5615 1 1 8 PRO HD2 H -8.897 0.252 -5.213 1.00 . A A . 8 PRO HD2 1 1 14 5616 1 1 8 PRO HD3 H -9.021 -1.280 -6.100 1.00 . A A . 8 PRO HD3 1 1 14 5617 1 1 8 PRO HG2 H -8.975 1.501 -7.128 1.00 . A A . 8 PRO HG2 1 1 14 5618 1 1 8 PRO HG3 H -9.716 0.050 -7.827 1.00 . A A . 8 PRO HG3 1 1 14 5619 1 1 8 PRO N N -7.081 -0.434 -6.059 1.00 . A A . 8 PRO N 1 1 14 5620 1 1 8 PRO O O -5.165 2.107 -7.790 1.00 . A A . 8 PRO O 1 1 14 5621 1 1 9 HIS C C -4.292 3.328 -4.909 1.00 . A A . 9 HIS C 1 1 14 5622 1 1 9 HIS CA C -5.727 3.415 -5.405 1.00 . A A . 9 HIS CA 1 1 14 5623 1 1 9 HIS CB C -6.609 4.001 -4.301 1.00 . A A . 9 HIS CB 1 1 14 5624 1 1 9 HIS CD2 C -5.352 6.115 -3.488 1.00 . A A . 9 HIS CD2 1 1 14 5625 1 1 9 HIS CE1 C -6.812 7.623 -4.123 1.00 . A A . 9 HIS CE1 1 1 14 5626 1 1 9 HIS CG C -6.384 5.462 -4.072 1.00 . A A . 9 HIS CG 1 1 14 5627 1 1 9 HIS H H -6.796 1.606 -5.184 1.00 . A A . 9 HIS H 1 1 14 5628 1 1 9 HIS HA H -5.764 4.061 -6.269 1.00 . A A . 9 HIS HA 1 1 14 5629 1 1 9 HIS HB2 H -7.647 3.858 -4.562 1.00 . A A . 9 HIS HB2 1 1 14 5630 1 1 9 HIS HB3 H -6.401 3.484 -3.374 1.00 . A A . 9 HIS HB3 1 1 14 5631 1 1 9 HIS HD1 H -8.137 6.277 -4.911 1.00 . A A . 9 HIS HD1 1 1 14 5632 1 1 9 HIS HD2 H -4.465 5.663 -3.066 1.00 . A A . 9 HIS HD2 1 1 14 5633 1 1 9 HIS HE1 H -7.301 8.569 -4.300 1.00 . A A . 9 HIS HE1 1 1 14 5634 1 1 9 HIS HE2 H -5.038 8.179 -3.264 1.00 . A A . 9 HIS HE2 1 1 14 5635 1 1 9 HIS N N -6.216 2.099 -5.798 1.00 . A A . 9 HIS N 1 1 14 5636 1 1 9 HIS ND1 N -7.283 6.434 -4.458 1.00 . A A . 9 HIS ND1 1 1 14 5637 1 1 9 HIS NE2 N -5.643 7.456 -3.533 1.00 . A A . 9 HIS NE2 1 1 14 5638 1 1 9 HIS O O -3.402 4.017 -5.408 1.00 . A A . 9 HIS O 1 1 14 5639 1 1 10 CYS C C -1.772 1.791 -4.383 1.00 . A A . 10 CYS C 1 1 14 5640 1 1 10 CYS CA C -2.764 2.283 -3.333 1.00 . A A . 10 CYS CA 1 1 14 5641 1 1 10 CYS CB C -2.840 1.288 -2.173 1.00 . A A . 10 CYS CB 1 1 14 5642 1 1 10 CYS H H -4.839 1.960 -3.568 1.00 . A A . 10 CYS H 1 1 14 5643 1 1 10 CYS HA H -2.426 3.237 -2.956 1.00 . A A . 10 CYS HA 1 1 14 5644 1 1 10 CYS HB2 H -2.886 0.287 -2.573 1.00 . A A . 10 CYS HB2 1 1 14 5645 1 1 10 CYS HB3 H -1.953 1.387 -1.565 1.00 . A A . 10 CYS HB3 1 1 14 5646 1 1 10 CYS N N -4.083 2.475 -3.917 1.00 . A A . 10 CYS N 1 1 14 5647 1 1 10 CYS O O -0.569 2.025 -4.271 1.00 . A A . 10 CYS O 1 1 14 5648 1 1 10 CYS SG S -4.288 1.515 -1.087 1.00 . A A . 10 CYS SG 1 1 14 5649 1 1 11 ARG C C -0.918 1.736 -7.345 1.00 . A A . 11 ARG C 1 1 14 5650 1 1 11 ARG CA C -1.442 0.597 -6.476 1.00 . A A . 11 ARG CA 1 1 14 5651 1 1 11 ARG CB C -2.222 -0.399 -7.335 1.00 . A A . 11 ARG CB 1 1 14 5652 1 1 11 ARG CD C -1.974 -2.405 -8.829 1.00 . A A . 11 ARG CD 1 1 14 5653 1 1 11 ARG CG C -1.378 -1.072 -8.405 1.00 . A A . 11 ARG CG 1 1 14 5654 1 1 11 ARG CZ C -0.034 -3.895 -9.126 1.00 . A A . 11 ARG CZ 1 1 14 5655 1 1 11 ARG H H -3.254 0.963 -5.444 1.00 . A A . 11 ARG H 1 1 14 5656 1 1 11 ARG HA H -0.603 0.090 -6.023 1.00 . A A . 11 ARG HA 1 1 14 5657 1 1 11 ARG HB2 H -2.631 -1.166 -6.694 1.00 . A A . 11 ARG HB2 1 1 14 5658 1 1 11 ARG HB3 H -3.034 0.121 -7.822 1.00 . A A . 11 ARG HB3 1 1 14 5659 1 1 11 ARG HD2 H -2.231 -2.967 -7.943 1.00 . A A . 11 ARG HD2 1 1 14 5660 1 1 11 ARG HD3 H -2.867 -2.218 -9.407 1.00 . A A . 11 ARG HD3 1 1 14 5661 1 1 11 ARG HE H -1.175 -3.192 -10.606 1.00 . A A . 11 ARG HE 1 1 14 5662 1 1 11 ARG HG2 H -1.324 -0.424 -9.267 1.00 . A A . 11 ARG HG2 1 1 14 5663 1 1 11 ARG HG3 H -0.385 -1.239 -8.014 1.00 . A A . 11 ARG HG3 1 1 14 5664 1 1 11 ARG HH11 H -0.424 -3.400 -7.204 1.00 . A A . 11 ARG HH11 1 1 14 5665 1 1 11 ARG HH12 H 0.935 -4.447 -7.440 1.00 . A A . 11 ARG HH12 1 1 14 5666 1 1 11 ARG HH21 H 0.612 -4.569 -10.918 1.00 . A A . 11 ARG HH21 1 1 14 5667 1 1 11 ARG HH22 H 1.524 -5.110 -9.549 1.00 . A A . 11 ARG HH22 1 1 14 5668 1 1 11 ARG N N -2.286 1.114 -5.406 1.00 . A A . 11 ARG N 1 1 14 5669 1 1 11 ARG NE N -1.043 -3.190 -9.635 1.00 . A A . 11 ARG NE 1 1 14 5670 1 1 11 ARG NH1 N 0.176 -3.915 -7.816 1.00 . A A . 11 ARG NH1 1 1 14 5671 1 1 11 ARG NH2 N 0.766 -4.581 -9.930 1.00 . A A . 11 ARG NH2 1 1 14 5672 1 1 11 ARG O O -1.502 2.061 -8.379 1.00 . A A . 11 ARG O 1 1 14 5673 1 1 12 THR C C 2.246 3.156 -7.984 1.00 . A A . 12 THR C 1 1 14 5674 1 1 12 THR CA C 0.785 3.450 -7.650 1.00 . A A . 12 THR CA 1 1 14 5675 1 1 12 THR CB C 0.679 4.740 -6.833 1.00 . A A . 12 THR CB 1 1 14 5676 1 1 12 THR CG2 C 1.312 5.936 -7.512 1.00 . A A . 12 THR CG2 1 1 14 5677 1 1 12 THR H H 0.601 2.040 -6.081 1.00 . A A . 12 THR H 1 1 14 5678 1 1 12 THR HA H 0.235 3.572 -8.571 1.00 . A A . 12 THR HA 1 1 14 5679 1 1 12 THR HB H 1.179 4.594 -5.885 1.00 . A A . 12 THR HB 1 1 14 5680 1 1 12 THR HG1 H -1.142 4.272 -6.286 1.00 . A A . 12 THR HG1 1 1 14 5681 1 1 12 THR HG21 H 1.779 5.621 -8.434 1.00 . A A . 12 THR HG21 1 1 14 5682 1 1 12 THR HG22 H 2.058 6.367 -6.860 1.00 . A A . 12 THR HG22 1 1 14 5683 1 1 12 THR HG23 H 0.552 6.672 -7.726 1.00 . A A . 12 THR HG23 1 1 14 5684 1 1 12 THR N N 0.184 2.342 -6.915 1.00 . A A . 12 THR N 1 1 14 5685 1 1 12 THR O O 2.567 2.754 -9.103 1.00 . A A . 12 THR O 1 1 14 5686 1 1 12 THR OG1 O -0.676 5.060 -6.576 1.00 . A A . 12 THR OG1 1 1 14 5687 1 1 13 MET C C 5.129 2.299 -6.049 1.00 . A A . 13 MET C 1 1 14 5688 1 1 13 MET CA C 4.551 3.116 -7.202 1.00 . A A . 13 MET CA 1 1 14 5689 1 1 13 MET CB C 5.303 4.442 -7.329 1.00 . A A . 13 MET CB 1 1 14 5690 1 1 13 MET CE C 5.167 7.382 -10.263 1.00 . A A . 13 MET CE 1 1 14 5691 1 1 13 MET CG C 4.765 5.344 -8.427 1.00 . A A . 13 MET CG 1 1 14 5692 1 1 13 MET H H 2.813 3.679 -6.139 1.00 . A A . 13 MET H 1 1 14 5693 1 1 13 MET HA H 4.670 2.557 -8.118 1.00 . A A . 13 MET HA 1 1 14 5694 1 1 13 MET HB2 H 5.235 4.973 -6.391 1.00 . A A . 13 MET HB2 1 1 14 5695 1 1 13 MET HB3 H 6.342 4.235 -7.541 1.00 . A A . 13 MET HB3 1 1 14 5696 1 1 13 MET HE1 H 5.247 6.583 -10.986 1.00 . A A . 13 MET HE1 1 1 14 5697 1 1 13 MET HE2 H 5.752 8.227 -10.593 1.00 . A A . 13 MET HE2 1 1 14 5698 1 1 13 MET HE3 H 4.132 7.676 -10.165 1.00 . A A . 13 MET HE3 1 1 14 5699 1 1 13 MET HG2 H 4.733 4.786 -9.351 1.00 . A A . 13 MET HG2 1 1 14 5700 1 1 13 MET HG3 H 3.764 5.654 -8.162 1.00 . A A . 13 MET HG3 1 1 14 5701 1 1 13 MET N N 3.127 3.360 -7.009 1.00 . A A . 13 MET N 1 1 14 5702 1 1 13 MET O O 6.343 2.265 -5.855 1.00 . A A . 13 MET O 1 1 14 5703 1 1 13 MET SD S 5.778 6.815 -8.677 1.00 . A A . 13 MET SD 1 1 14 5704 1 1 14 LYS C C 4.918 1.678 -2.911 1.00 . A A . 14 LYS C 1 1 14 5705 1 1 14 LYS CA C 4.656 0.820 -4.151 1.00 . A A . 14 LYS CA 1 1 14 5706 1 1 14 LYS CB C 5.891 -0.031 -4.507 1.00 . A A . 14 LYS CB 1 1 14 5707 1 1 14 LYS CD C 8.383 0.070 -4.838 1.00 . A A . 14 LYS CD 1 1 14 5708 1 1 14 LYS CE C 9.712 0.475 -4.222 1.00 . A A . 14 LYS CE 1 1 14 5709 1 1 14 LYS CG C 7.211 0.512 -3.976 1.00 . A A . 14 LYS CG 1 1 14 5710 1 1 14 LYS H H 3.295 1.716 -5.499 1.00 . A A . 14 LYS H 1 1 14 5711 1 1 14 LYS HA H 3.835 0.154 -3.931 1.00 . A A . 14 LYS HA 1 1 14 5712 1 1 14 LYS HB2 H 5.752 -1.023 -4.105 1.00 . A A . 14 LYS HB2 1 1 14 5713 1 1 14 LYS HB3 H 5.963 -0.099 -5.583 1.00 . A A . 14 LYS HB3 1 1 14 5714 1 1 14 LYS HD2 H 8.357 -1.004 -4.940 1.00 . A A . 14 LYS HD2 1 1 14 5715 1 1 14 LYS HD3 H 8.293 0.528 -5.812 1.00 . A A . 14 LYS HD3 1 1 14 5716 1 1 14 LYS HE2 H 9.919 1.502 -4.487 1.00 . A A . 14 LYS HE2 1 1 14 5717 1 1 14 LYS HE3 H 9.637 0.390 -3.148 1.00 . A A . 14 LYS HE3 1 1 14 5718 1 1 14 LYS HG2 H 7.171 1.590 -3.966 1.00 . A A . 14 LYS HG2 1 1 14 5719 1 1 14 LYS HG3 H 7.357 0.148 -2.971 1.00 . A A . 14 LYS HG3 1 1 14 5720 1 1 14 LYS HZ1 H 11.310 0.070 -5.504 1.00 . A A . 14 LYS HZ1 1 1 14 5721 1 1 14 LYS HZ2 H 10.467 -1.308 -5.005 1.00 . A A . 14 LYS HZ2 1 1 14 5722 1 1 14 LYS HZ3 H 11.521 -0.529 -3.936 1.00 . A A . 14 LYS HZ3 1 1 14 5723 1 1 14 LYS N N 4.249 1.644 -5.290 1.00 . A A . 14 LYS N 1 1 14 5724 1 1 14 LYS NZ N 10.831 -0.383 -4.700 1.00 . A A . 14 LYS NZ 1 1 14 5725 1 1 14 LYS O O 5.583 1.240 -1.972 1.00 . A A . 14 LYS O 1 1 14 5726 1 1 15 ASN C C 3.825 3.278 -0.554 1.00 . A A . 15 ASN C 1 1 14 5727 1 1 15 ASN CA C 4.554 3.804 -1.787 1.00 . A A . 15 ASN CA 1 1 14 5728 1 1 15 ASN CB C 4.035 5.194 -2.152 1.00 . A A . 15 ASN CB 1 1 14 5729 1 1 15 ASN CG C 2.676 5.152 -2.824 1.00 . A A . 15 ASN CG 1 1 14 5730 1 1 15 ASN H H 3.859 3.192 -3.679 1.00 . A A . 15 ASN H 1 1 14 5731 1 1 15 ASN HA H 5.609 3.868 -1.568 1.00 . A A . 15 ASN HA 1 1 14 5732 1 1 15 ASN HB2 H 3.950 5.781 -1.257 1.00 . A A . 15 ASN HB2 1 1 14 5733 1 1 15 ASN HB3 H 4.734 5.668 -2.825 1.00 . A A . 15 ASN HB3 1 1 14 5734 1 1 15 ASN HD21 H 3.333 6.333 -4.281 1.00 . A A . 15 ASN HD21 1 1 14 5735 1 1 15 ASN HD22 H 1.684 5.833 -4.406 1.00 . A A . 15 ASN HD22 1 1 14 5736 1 1 15 ASN N N 4.384 2.897 -2.910 1.00 . A A . 15 ASN N 1 1 14 5737 1 1 15 ASN ND2 N 2.552 5.842 -3.951 1.00 . A A . 15 ASN ND2 1 1 14 5738 1 1 15 ASN O O 2.762 3.778 -0.187 1.00 . A A . 15 ASN O 1 1 14 5739 1 1 15 ASN OD1 O 1.748 4.506 -2.335 1.00 . A A . 15 ASN OD1 1 1 14 5740 1 1 16 VAL C C 3.453 2.710 2.311 1.00 . A A . 16 VAL C 1 1 14 5741 1 1 16 VAL CA C 3.812 1.657 1.268 1.00 . A A . 16 VAL CA 1 1 14 5742 1 1 16 VAL CB C 4.760 0.626 1.904 1.00 . A A . 16 VAL CB 1 1 14 5743 1 1 16 VAL CG1 C 4.054 -0.138 3.013 1.00 . A A . 16 VAL CG1 1 1 14 5744 1 1 16 VAL CG2 C 5.300 -0.327 0.848 1.00 . A A . 16 VAL CG2 1 1 14 5745 1 1 16 VAL H H 5.249 1.906 -0.267 1.00 . A A . 16 VAL H 1 1 14 5746 1 1 16 VAL HA H 2.912 1.145 0.967 1.00 . A A . 16 VAL HA 1 1 14 5747 1 1 16 VAL HB H 5.592 1.157 2.338 1.00 . A A . 16 VAL HB 1 1 14 5748 1 1 16 VAL HG11 H 2.991 -0.148 2.823 1.00 . A A . 16 VAL HG11 1 1 14 5749 1 1 16 VAL HG12 H 4.246 0.343 3.960 1.00 . A A . 16 VAL HG12 1 1 14 5750 1 1 16 VAL HG13 H 4.424 -1.152 3.043 1.00 . A A . 16 VAL HG13 1 1 14 5751 1 1 16 VAL HG21 H 5.638 -1.236 1.323 1.00 . A A . 16 VAL HG21 1 1 14 5752 1 1 16 VAL HG22 H 6.127 0.138 0.332 1.00 . A A . 16 VAL HG22 1 1 14 5753 1 1 16 VAL HG23 H 4.518 -0.560 0.140 1.00 . A A . 16 VAL HG23 1 1 14 5754 1 1 16 VAL N N 4.404 2.262 0.078 1.00 . A A . 16 VAL N 1 1 14 5755 1 1 16 VAL O O 2.484 2.553 3.054 1.00 . A A . 16 VAL O 1 1 14 5756 1 1 17 LEU C C 2.595 5.435 3.130 1.00 . A A . 17 LEU C 1 1 14 5757 1 1 17 LEU CA C 3.988 4.855 3.323 1.00 . A A . 17 LEU CA 1 1 14 5758 1 1 17 LEU CB C 5.040 5.956 3.177 1.00 . A A . 17 LEU CB 1 1 14 5759 1 1 17 LEU CD1 C 7.502 6.428 3.168 1.00 . A A . 17 LEU CD1 1 1 14 5760 1 1 17 LEU CD2 C 6.316 6.024 5.333 1.00 . A A . 17 LEU CD2 1 1 14 5761 1 1 17 LEU CG C 6.380 5.666 3.856 1.00 . A A . 17 LEU CG 1 1 14 5762 1 1 17 LEU H H 4.994 3.856 1.748 1.00 . A A . 17 LEU H 1 1 14 5763 1 1 17 LEU HA H 4.052 4.435 4.309 1.00 . A A . 17 LEU HA 1 1 14 5764 1 1 17 LEU HB2 H 5.221 6.115 2.123 1.00 . A A . 17 LEU HB2 1 1 14 5765 1 1 17 LEU HB3 H 4.639 6.866 3.597 1.00 . A A . 17 LEU HB3 1 1 14 5766 1 1 17 LEU HD11 H 8.394 6.382 3.777 1.00 . A A . 17 LEU HD11 1 1 14 5767 1 1 17 LEU HD12 H 7.210 7.459 3.037 1.00 . A A . 17 LEU HD12 1 1 14 5768 1 1 17 LEU HD13 H 7.701 5.984 2.204 1.00 . A A . 17 LEU HD13 1 1 14 5769 1 1 17 LEU HD21 H 5.646 6.860 5.472 1.00 . A A . 17 LEU HD21 1 1 14 5770 1 1 17 LEU HD22 H 7.302 6.292 5.681 1.00 . A A . 17 LEU HD22 1 1 14 5771 1 1 17 LEU HD23 H 5.954 5.175 5.894 1.00 . A A . 17 LEU HD23 1 1 14 5772 1 1 17 LEU HG H 6.596 4.611 3.775 1.00 . A A . 17 LEU HG 1 1 14 5773 1 1 17 LEU N N 4.236 3.783 2.365 1.00 . A A . 17 LEU N 1 1 14 5774 1 1 17 LEU O O 1.924 5.812 4.090 1.00 . A A . 17 LEU O 1 1 14 5775 1 1 18 ASN C C -0.232 4.989 1.881 1.00 . A A . 18 ASN C 1 1 14 5776 1 1 18 ASN CA C 0.847 6.007 1.540 1.00 . A A . 18 ASN CA 1 1 14 5777 1 1 18 ASN CB C 0.779 6.367 0.055 1.00 . A A . 18 ASN CB 1 1 14 5778 1 1 18 ASN CG C -0.070 7.595 -0.204 1.00 . A A . 18 ASN CG 1 1 14 5779 1 1 18 ASN H H 2.751 5.162 1.166 1.00 . A A . 18 ASN H 1 1 14 5780 1 1 18 ASN HA H 0.680 6.895 2.126 1.00 . A A . 18 ASN HA 1 1 14 5781 1 1 18 ASN HB2 H 1.778 6.560 -0.309 1.00 . A A . 18 ASN HB2 1 1 14 5782 1 1 18 ASN HB3 H 0.356 5.537 -0.492 1.00 . A A . 18 ASN HB3 1 1 14 5783 1 1 18 ASN HD21 H 1.280 8.289 -1.489 1.00 . A A . 18 ASN HD21 1 1 14 5784 1 1 18 ASN HD22 H -0.115 9.281 -1.257 1.00 . A A . 18 ASN HD22 1 1 14 5785 1 1 18 ASN N N 2.166 5.489 1.879 1.00 . A A . 18 ASN N 1 1 14 5786 1 1 18 ASN ND2 N 0.414 8.478 -1.071 1.00 . A A . 18 ASN ND2 1 1 14 5787 1 1 18 ASN O O -1.318 5.344 2.338 1.00 . A A . 18 ASN O 1 1 14 5788 1 1 18 ASN OD1 O -1.150 7.750 0.367 1.00 . A A . 18 ASN OD1 1 1 14 5789 1 1 19 HIS C C -0.904 2.339 3.434 1.00 . A A . 19 HIS C 1 1 14 5790 1 1 19 HIS CA C -0.854 2.638 1.937 1.00 . A A . 19 HIS CA 1 1 14 5791 1 1 19 HIS CB C -0.466 1.381 1.147 1.00 . A A . 19 HIS CB 1 1 14 5792 1 1 19 HIS CD2 C -0.509 -0.818 2.500 1.00 . A A . 19 HIS CD2 1 1 14 5793 1 1 19 HIS CE1 C -2.543 -1.412 2.009 1.00 . A A . 19 HIS CE1 1 1 14 5794 1 1 19 HIS CG C -1.061 0.111 1.681 1.00 . A A . 19 HIS CG 1 1 14 5795 1 1 19 HIS H H 0.965 3.505 1.292 1.00 . A A . 19 HIS H 1 1 14 5796 1 1 19 HIS HA H -1.831 2.962 1.619 1.00 . A A . 19 HIS HA 1 1 14 5797 1 1 19 HIS HB2 H -0.792 1.494 0.126 1.00 . A A . 19 HIS HB2 1 1 14 5798 1 1 19 HIS HB3 H 0.609 1.276 1.164 1.00 . A A . 19 HIS HB3 1 1 14 5799 1 1 19 HIS HD2 H 0.481 -0.797 2.925 1.00 . A A . 19 HIS HD2 1 1 14 5800 1 1 19 HIS HE1 H -3.474 -1.958 1.991 1.00 . A A . 19 HIS HE1 1 1 14 5801 1 1 19 HIS HE2 H -1.425 -2.489 3.384 1.00 . A A . 19 HIS HE2 1 1 14 5802 1 1 19 HIS N N 0.081 3.719 1.655 1.00 . A A . 19 HIS N 1 1 14 5803 1 1 19 HIS ND1 N -2.345 -0.275 1.376 1.00 . A A . 19 HIS ND1 1 1 14 5804 1 1 19 HIS NE2 N -1.459 -1.785 2.703 1.00 . A A . 19 HIS NE2 1 1 14 5805 1 1 19 HIS O O -1.869 1.760 3.927 1.00 . A A . 19 HIS O 1 1 14 5806 1 1 20 MET C C -0.422 3.671 6.369 1.00 . A A . 20 MET C 1 1 14 5807 1 1 20 MET CA C 0.193 2.507 5.594 1.00 . A A . 20 MET CA 1 1 14 5808 1 1 20 MET CB C 1.639 2.286 6.043 1.00 . A A . 20 MET CB 1 1 14 5809 1 1 20 MET CE C 3.799 -1.262 6.442 1.00 . A A . 20 MET CE 1 1 14 5810 1 1 20 MET CG C 2.132 0.865 5.827 1.00 . A A . 20 MET CG 1 1 14 5811 1 1 20 MET H H 0.881 3.197 3.714 1.00 . A A . 20 MET H 1 1 14 5812 1 1 20 MET HA H -0.379 1.617 5.804 1.00 . A A . 20 MET HA 1 1 14 5813 1 1 20 MET HB2 H 2.281 2.955 5.489 1.00 . A A . 20 MET HB2 1 1 14 5814 1 1 20 MET HB3 H 1.716 2.515 7.095 1.00 . A A . 20 MET HB3 1 1 14 5815 1 1 20 MET HE1 H 3.016 -1.583 5.770 1.00 . A A . 20 MET HE1 1 1 14 5816 1 1 20 MET HE2 H 3.751 -1.841 7.352 1.00 . A A . 20 MET HE2 1 1 14 5817 1 1 20 MET HE3 H 4.760 -1.410 5.971 1.00 . A A . 20 MET HE3 1 1 14 5818 1 1 20 MET HG2 H 1.339 0.179 6.086 1.00 . A A . 20 MET HG2 1 1 14 5819 1 1 20 MET HG3 H 2.386 0.741 4.784 1.00 . A A . 20 MET HG3 1 1 14 5820 1 1 20 MET N N 0.137 2.738 4.156 1.00 . A A . 20 MET N 1 1 14 5821 1 1 20 MET O O -0.186 3.821 7.568 1.00 . A A . 20 MET O 1 1 14 5822 1 1 20 MET SD S 3.582 0.474 6.825 1.00 . A A . 20 MET SD 1 1 14 5823 1 1 21 THR C C -3.387 5.498 6.241 1.00 . A A . 21 THR C 1 1 14 5824 1 1 21 THR CA C -1.861 5.629 6.306 1.00 . A A . 21 THR CA 1 1 14 5825 1 1 21 THR CB C -1.388 6.931 5.637 1.00 . A A . 21 THR CB 1 1 14 5826 1 1 21 THR CG2 C -2.502 7.904 5.300 1.00 . A A . 21 THR CG2 1 1 14 5827 1 1 21 THR H H -1.367 4.322 4.735 1.00 . A A . 21 THR H 1 1 14 5828 1 1 21 THR HA H -1.562 5.640 7.338 1.00 . A A . 21 THR HA 1 1 14 5829 1 1 21 THR HB H -0.879 6.682 4.716 1.00 . A A . 21 THR HB 1 1 14 5830 1 1 21 THR HG1 H -0.127 8.381 6.013 1.00 . A A . 21 THR HG1 1 1 14 5831 1 1 21 THR HG21 H -2.083 8.784 4.834 1.00 . A A . 21 THR HG21 1 1 14 5832 1 1 21 THR HG22 H -3.018 8.187 6.205 1.00 . A A . 21 THR HG22 1 1 14 5833 1 1 21 THR HG23 H -3.197 7.434 4.621 1.00 . A A . 21 THR HG23 1 1 14 5834 1 1 21 THR N N -1.213 4.489 5.681 1.00 . A A . 21 THR N 1 1 14 5835 1 1 21 THR O O -4.109 6.316 6.812 1.00 . A A . 21 THR O 1 1 14 5836 1 1 21 THR OG1 O -0.472 7.613 6.475 1.00 . A A . 21 THR OG1 1 1 14 5837 1 1 22 HIS C C -5.691 2.784 5.431 1.00 . A A . 22 HIS C 1 1 14 5838 1 1 22 HIS CA C -5.317 4.263 5.414 1.00 . A A . 22 HIS CA 1 1 14 5839 1 1 22 HIS CB C -5.838 4.898 4.123 1.00 . A A . 22 HIS CB 1 1 14 5840 1 1 22 HIS CD2 C -4.637 3.235 2.499 1.00 . A A . 22 HIS CD2 1 1 14 5841 1 1 22 HIS CE1 C -4.229 4.644 0.873 1.00 . A A . 22 HIS CE1 1 1 14 5842 1 1 22 HIS CG C -5.126 4.449 2.876 1.00 . A A . 22 HIS CG 1 1 14 5843 1 1 22 HIS H H -3.257 3.852 5.104 1.00 . A A . 22 HIS H 1 1 14 5844 1 1 22 HIS HA H -5.793 4.747 6.253 1.00 . A A . 22 HIS HA 1 1 14 5845 1 1 22 HIS HB2 H -6.883 4.654 4.009 1.00 . A A . 22 HIS HB2 1 1 14 5846 1 1 22 HIS HB3 H -5.733 5.971 4.195 1.00 . A A . 22 HIS HB3 1 1 14 5847 1 1 22 HIS HD1 H -5.079 6.257 1.798 1.00 . A A . 22 HIS HD1 1 1 14 5848 1 1 22 HIS HD2 H -4.689 2.308 3.057 1.00 . A A . 22 HIS HD2 1 1 14 5849 1 1 22 HIS HE1 H -3.907 5.056 -0.072 1.00 . A A . 22 HIS HE1 1 1 14 5850 1 1 22 HIS HE2 H -3.460 2.760 0.843 1.00 . A A . 22 HIS HE2 1 1 14 5851 1 1 22 HIS N N -3.875 4.473 5.542 1.00 . A A . 22 HIS N 1 1 14 5852 1 1 22 HIS ND1 N -4.851 5.305 1.832 1.00 . A A . 22 HIS ND1 1 1 14 5853 1 1 22 HIS NE2 N -4.083 3.390 1.254 1.00 . A A . 22 HIS NE2 1 1 14 5854 1 1 22 HIS O O -6.837 2.432 5.712 1.00 . A A . 22 HIS O 1 1 14 5855 1 1 23 CYS C C -4.397 -0.211 6.253 1.00 . A A . 23 CYS C 1 1 14 5856 1 1 23 CYS CA C -4.989 0.503 5.041 1.00 . A A . 23 CYS CA 1 1 14 5857 1 1 23 CYS CB C -4.379 -0.034 3.755 1.00 . A A . 23 CYS CB 1 1 14 5858 1 1 23 CYS H H -3.854 2.250 4.854 1.00 . A A . 23 CYS H 1 1 14 5859 1 1 23 CYS HA H -6.056 0.345 5.020 1.00 . A A . 23 CYS HA 1 1 14 5860 1 1 23 CYS HB2 H -3.574 0.619 3.455 1.00 . A A . 23 CYS HB2 1 1 14 5861 1 1 23 CYS HB3 H -3.981 -1.012 3.939 1.00 . A A . 23 CYS HB3 1 1 14 5862 1 1 23 CYS N N -4.740 1.924 5.097 1.00 . A A . 23 CYS N 1 1 14 5863 1 1 23 CYS O O -3.319 0.144 6.730 1.00 . A A . 23 CYS O 1 1 14 5864 1 1 23 CYS SG S -5.540 -0.140 2.353 1.00 . A A . 23 CYS SG 1 1 14 5865 1 1 24 GLN C C -3.936 -3.254 7.466 1.00 . A A . 24 GLN C 1 1 14 5866 1 1 24 GLN CA C -4.655 -1.982 7.903 1.00 . A A . 24 GLN CA 1 1 14 5867 1 1 24 GLN CB C -5.839 -2.335 8.805 1.00 . A A . 24 GLN CB 1 1 14 5868 1 1 24 GLN CD C -8.106 -3.435 8.983 1.00 . A A . 24 GLN CD 1 1 14 5869 1 1 24 GLN CG C -6.861 -3.243 8.140 1.00 . A A . 24 GLN CG 1 1 14 5870 1 1 24 GLN H H -5.962 -1.454 6.323 1.00 . A A . 24 GLN H 1 1 14 5871 1 1 24 GLN HA H -3.964 -1.364 8.456 1.00 . A A . 24 GLN HA 1 1 14 5872 1 1 24 GLN HB2 H -5.468 -2.832 9.688 1.00 . A A . 24 GLN HB2 1 1 14 5873 1 1 24 GLN HB3 H -6.338 -1.423 9.098 1.00 . A A . 24 GLN HB3 1 1 14 5874 1 1 24 GLN HE21 H -9.125 -2.201 7.803 1.00 . A A . 24 GLN HE21 1 1 14 5875 1 1 24 GLN HE22 H -10.009 -2.876 9.125 1.00 . A A . 24 GLN HE22 1 1 14 5876 1 1 24 GLN HG2 H -7.149 -2.808 7.194 1.00 . A A . 24 GLN HG2 1 1 14 5877 1 1 24 GLN HG3 H -6.407 -4.208 7.968 1.00 . A A . 24 GLN HG3 1 1 14 5878 1 1 24 GLN N N -5.110 -1.218 6.746 1.00 . A A . 24 GLN N 1 1 14 5879 1 1 24 GLN NE2 N -9.189 -2.770 8.598 1.00 . A A . 24 GLN NE2 1 1 14 5880 1 1 24 GLN O O -3.879 -3.567 6.277 1.00 . A A . 24 GLN O 1 1 14 5881 1 1 24 GLN OE1 O -8.095 -4.172 9.969 1.00 . A A . 24 GLN OE1 1 1 14 5882 1 1 25 ALA C C -1.214 -4.950 7.803 1.00 . A A . 25 ALA C 1 1 14 5883 1 1 25 ALA CA C -2.666 -5.226 8.176 1.00 . A A . 25 ALA CA 1 1 14 5884 1 1 25 ALA CB C -3.352 -6.038 7.083 1.00 . A A . 25 ALA CB 1 1 14 5885 1 1 25 ALA H H -3.471 -3.670 9.366 1.00 . A A . 25 ALA H 1 1 14 5886 1 1 25 ALA HA H -2.681 -5.812 9.085 1.00 . A A . 25 ALA HA 1 1 14 5887 1 1 25 ALA HB1 H -3.188 -7.091 7.260 1.00 . A A . 25 ALA HB1 1 1 14 5888 1 1 25 ALA HB2 H -2.941 -5.767 6.122 1.00 . A A . 25 ALA HB2 1 1 14 5889 1 1 25 ALA HB3 H -4.412 -5.832 7.094 1.00 . A A . 25 ALA HB3 1 1 14 5890 1 1 25 ALA N N -3.388 -3.981 8.440 1.00 . A A . 25 ALA N 1 1 14 5891 1 1 25 ALA O O -0.914 -3.974 7.115 1.00 . A A . 25 ALA O 1 1 14 5892 1 1 26 GLY C C 1.835 -4.908 9.064 1.00 . A A . 26 GLY C 1 1 14 5893 1 1 26 GLY CA C 1.095 -5.646 7.965 1.00 . A A . 26 GLY CA 1 1 14 5894 1 1 26 GLY H H -0.612 -6.574 8.805 1.00 . A A . 26 GLY H 1 1 14 5895 1 1 26 GLY HA2 H 1.544 -6.620 7.835 1.00 . A A . 26 GLY HA2 1 1 14 5896 1 1 26 GLY HA3 H 1.194 -5.090 7.044 1.00 . A A . 26 GLY HA3 1 1 14 5897 1 1 26 GLY N N -0.315 -5.815 8.261 1.00 . A A . 26 GLY N 1 1 14 5898 1 1 26 GLY O O 2.488 -3.896 8.810 1.00 . A A . 26 GLY O 1 1 14 5899 1 1 27 LYS C C 1.902 -3.370 11.639 1.00 . A A . 27 LYS C 1 1 14 5900 1 1 27 LYS CA C 2.395 -4.798 11.430 1.00 . A A . 27 LYS CA 1 1 14 5901 1 1 27 LYS CB C 3.911 -4.802 11.228 1.00 . A A . 27 LYS CB 1 1 14 5902 1 1 27 LYS CD C 4.534 -7.112 10.461 1.00 . A A . 27 LYS CD 1 1 14 5903 1 1 27 LYS CE C 4.290 -8.528 10.959 1.00 . A A . 27 LYS CE 1 1 14 5904 1 1 27 LYS CG C 4.572 -6.117 11.609 1.00 . A A . 27 LYS CG 1 1 14 5905 1 1 27 LYS H H 1.195 -6.225 10.426 1.00 . A A . 27 LYS H 1 1 14 5906 1 1 27 LYS HA H 2.156 -5.381 12.307 1.00 . A A . 27 LYS HA 1 1 14 5907 1 1 27 LYS HB2 H 4.125 -4.605 10.188 1.00 . A A . 27 LYS HB2 1 1 14 5908 1 1 27 LYS HB3 H 4.345 -4.018 11.831 1.00 . A A . 27 LYS HB3 1 1 14 5909 1 1 27 LYS HD2 H 3.739 -6.837 9.784 1.00 . A A . 27 LYS HD2 1 1 14 5910 1 1 27 LYS HD3 H 5.480 -7.082 9.939 1.00 . A A . 27 LYS HD3 1 1 14 5911 1 1 27 LYS HE2 H 3.359 -8.547 11.506 1.00 . A A . 27 LYS HE2 1 1 14 5912 1 1 27 LYS HE3 H 4.219 -9.188 10.107 1.00 . A A . 27 LYS HE3 1 1 14 5913 1 1 27 LYS HG2 H 5.602 -5.928 11.873 1.00 . A A . 27 LYS HG2 1 1 14 5914 1 1 27 LYS HG3 H 4.052 -6.538 12.456 1.00 . A A . 27 LYS HG3 1 1 14 5915 1 1 27 LYS HZ1 H 5.350 -8.494 12.758 1.00 . A A . 27 LYS HZ1 1 1 14 5916 1 1 27 LYS HZ2 H 6.308 -8.827 11.404 1.00 . A A . 27 LYS HZ2 1 1 14 5917 1 1 27 LYS HZ3 H 5.285 -10.020 12.029 1.00 . A A . 27 LYS HZ3 1 1 14 5918 1 1 27 LYS N N 1.731 -5.416 10.288 1.00 . A A . 27 LYS N 1 1 14 5919 1 1 27 LYS NZ N 5.385 -9.000 11.850 1.00 . A A . 27 LYS NZ 1 1 14 5920 1 1 27 LYS O O 0.935 -3.186 12.408 1.00 . A A . 27 LYS O 1 1 14 5921 1 1 27 LYS OXT O 2.487 -2.448 11.033 1.00 . A A . 27 LYS OXT 1 1 14 5922 2 2 1 ZN ZN ZN -4.141 -0.120 0.517 1.00 . B A . 28 ZN ZN 1 1 15 5923 1 1 1 GLU C C 1.284 -2.999 1.861 1.00 . A A . 1 GLU C 1 1 15 5924 1 1 1 GLU CA C 2.158 -3.083 3.105 1.00 . A A . 1 GLU CA 1 1 15 5925 1 1 1 GLU CB C 3.046 -4.327 3.045 1.00 . A A . 1 GLU CB 1 1 15 5926 1 1 1 GLU CD C 5.163 -5.459 3.832 1.00 . A A . 1 GLU CD 1 1 15 5927 1 1 1 GLU CG C 4.353 -4.177 3.807 1.00 . A A . 1 GLU CG 1 1 15 5928 1 1 1 GLU H1 H 0.767 -4.019 4.298 1.00 . A A . 1 GLU H1 1 1 15 5929 1 1 1 GLU H2 H 0.723 -2.304 4.357 1.00 . A A . 1 GLU H2 1 1 15 5930 1 1 1 GLU H3 H 1.980 -3.160 5.153 1.00 . A A . 1 GLU H3 1 1 15 5931 1 1 1 GLU HA H 2.780 -2.201 3.151 1.00 . A A . 1 GLU HA 1 1 15 5932 1 1 1 GLU HB2 H 2.505 -5.163 3.462 1.00 . A A . 1 GLU HB2 1 1 15 5933 1 1 1 GLU HB3 H 3.279 -4.539 2.012 1.00 . A A . 1 GLU HB3 1 1 15 5934 1 1 1 GLU HG2 H 4.944 -3.406 3.336 1.00 . A A . 1 GLU HG2 1 1 15 5935 1 1 1 GLU HG3 H 4.131 -3.889 4.824 1.00 . A A . 1 GLU HG3 1 1 15 5936 1 1 1 GLU N N 1.332 -3.147 4.340 1.00 . A A . 1 GLU N 1 1 15 5937 1 1 1 GLU O O 0.274 -3.694 1.746 1.00 . A A . 1 GLU O 1 1 15 5938 1 1 1 GLU OE1 O 4.787 -6.384 4.582 1.00 . A A . 1 GLU OE1 1 1 15 5939 1 1 1 GLU OE2 O 6.173 -5.537 3.101 1.00 . A A . 1 GLU OE2 1 1 15 5940 1 1 2 VAL C C 0.963 -3.208 -1.162 1.00 . A A . 2 VAL C 1 1 15 5941 1 1 2 VAL CA C 0.945 -1.946 -0.304 1.00 . A A . 2 VAL CA 1 1 15 5942 1 1 2 VAL CB C 1.523 -0.770 -1.112 1.00 . A A . 2 VAL CB 1 1 15 5943 1 1 2 VAL CG1 C 2.913 -1.101 -1.636 1.00 . A A . 2 VAL CG1 1 1 15 5944 1 1 2 VAL CG2 C 0.589 -0.397 -2.252 1.00 . A A . 2 VAL CG2 1 1 15 5945 1 1 2 VAL H H 2.495 -1.612 1.091 1.00 . A A . 2 VAL H 1 1 15 5946 1 1 2 VAL HA H -0.079 -1.711 -0.050 1.00 . A A . 2 VAL HA 1 1 15 5947 1 1 2 VAL HB H 1.608 0.081 -0.451 1.00 . A A . 2 VAL HB 1 1 15 5948 1 1 2 VAL HG11 H 2.828 -1.712 -2.522 1.00 . A A . 2 VAL HG11 1 1 15 5949 1 1 2 VAL HG12 H 3.465 -1.639 -0.879 1.00 . A A . 2 VAL HG12 1 1 15 5950 1 1 2 VAL HG13 H 3.434 -0.186 -1.878 1.00 . A A . 2 VAL HG13 1 1 15 5951 1 1 2 VAL HG21 H 0.016 -1.264 -2.546 1.00 . A A . 2 VAL HG21 1 1 15 5952 1 1 2 VAL HG22 H 1.170 -0.047 -3.093 1.00 . A A . 2 VAL HG22 1 1 15 5953 1 1 2 VAL HG23 H -0.081 0.384 -1.927 1.00 . A A . 2 VAL HG23 1 1 15 5954 1 1 2 VAL N N 1.682 -2.137 0.935 1.00 . A A . 2 VAL N 1 1 15 5955 1 1 2 VAL O O -0.041 -3.567 -1.778 1.00 . A A . 2 VAL O 1 1 15 5956 1 1 3 ARG C C 1.229 -6.142 -1.582 1.00 . A A . 3 ARG C 1 1 15 5957 1 1 3 ARG CA C 2.265 -5.095 -1.982 1.00 . A A . 3 ARG CA 1 1 15 5958 1 1 3 ARG CB C 3.674 -5.663 -1.807 1.00 . A A . 3 ARG CB 1 1 15 5959 1 1 3 ARG CD C 4.980 -5.258 -3.915 1.00 . A A . 3 ARG CD 1 1 15 5960 1 1 3 ARG CG C 4.242 -6.285 -3.072 1.00 . A A . 3 ARG CG 1 1 15 5961 1 1 3 ARG CZ C 6.385 -5.241 -5.939 1.00 . A A . 3 ARG CZ 1 1 15 5962 1 1 3 ARG H H 2.876 -3.536 -0.687 1.00 . A A . 3 ARG H 1 1 15 5963 1 1 3 ARG HA H 2.118 -4.841 -3.021 1.00 . A A . 3 ARG HA 1 1 15 5964 1 1 3 ARG HB2 H 4.335 -4.867 -1.495 1.00 . A A . 3 ARG HB2 1 1 15 5965 1 1 3 ARG HB3 H 3.651 -6.422 -1.038 1.00 . A A . 3 ARG HB3 1 1 15 5966 1 1 3 ARG HD2 H 4.306 -4.446 -4.143 1.00 . A A . 3 ARG HD2 1 1 15 5967 1 1 3 ARG HD3 H 5.817 -4.879 -3.346 1.00 . A A . 3 ARG HD3 1 1 15 5968 1 1 3 ARG HE H 5.110 -6.694 -5.443 1.00 . A A . 3 ARG HE 1 1 15 5969 1 1 3 ARG HG2 H 4.929 -7.072 -2.799 1.00 . A A . 3 ARG HG2 1 1 15 5970 1 1 3 ARG HG3 H 3.431 -6.698 -3.653 1.00 . A A . 3 ARG HG3 1 1 15 5971 1 1 3 ARG HH11 H 6.608 -3.619 -4.752 1.00 . A A . 3 ARG HH11 1 1 15 5972 1 1 3 ARG HH12 H 7.585 -3.632 -6.181 1.00 . A A . 3 ARG HH12 1 1 15 5973 1 1 3 ARG HH21 H 6.394 -6.713 -7.324 1.00 . A A . 3 ARG HH21 1 1 15 5974 1 1 3 ARG HH22 H 7.463 -5.388 -7.642 1.00 . A A . 3 ARG HH22 1 1 15 5975 1 1 3 ARG N N 2.112 -3.874 -1.199 1.00 . A A . 3 ARG N 1 1 15 5976 1 1 3 ARG NE N 5.475 -5.828 -5.165 1.00 . A A . 3 ARG NE 1 1 15 5977 1 1 3 ARG NH1 N 6.901 -4.068 -5.596 1.00 . A A . 3 ARG NH1 1 1 15 5978 1 1 3 ARG NH2 N 6.780 -5.829 -7.060 1.00 . A A . 3 ARG NH2 1 1 15 5979 1 1 3 ARG O O 0.914 -7.043 -2.360 1.00 . A A . 3 ARG O 1 1 15 5980 1 1 4 ALA C C -1.706 -6.401 0.033 1.00 . A A . 4 ALA C 1 1 15 5981 1 1 4 ALA CA C -0.291 -6.967 0.128 1.00 . A A . 4 ALA CA 1 1 15 5982 1 1 4 ALA CB C 0.024 -7.362 1.562 1.00 . A A . 4 ALA CB 1 1 15 5983 1 1 4 ALA H H 0.995 -5.288 0.213 1.00 . A A . 4 ALA H 1 1 15 5984 1 1 4 ALA HA H -0.234 -7.852 -0.483 1.00 . A A . 4 ALA HA 1 1 15 5985 1 1 4 ALA HB1 H -0.230 -8.401 1.714 1.00 . A A . 4 ALA HB1 1 1 15 5986 1 1 4 ALA HB2 H -0.551 -6.749 2.240 1.00 . A A . 4 ALA HB2 1 1 15 5987 1 1 4 ALA HB3 H 1.077 -7.219 1.752 1.00 . A A . 4 ALA HB3 1 1 15 5988 1 1 4 ALA N N 0.705 -6.023 -0.366 1.00 . A A . 4 ALA N 1 1 15 5989 1 1 4 ALA O O -2.675 -7.073 0.386 1.00 . A A . 4 ALA O 1 1 15 5990 1 1 5 CYS C C -3.886 -5.094 -1.781 1.00 . A A . 5 CYS C 1 1 15 5991 1 1 5 CYS CA C -3.128 -4.529 -0.587 1.00 . A A . 5 CYS CA 1 1 15 5992 1 1 5 CYS CB C -2.979 -3.018 -0.751 1.00 . A A . 5 CYS CB 1 1 15 5993 1 1 5 CYS H H -1.023 -4.679 -0.717 1.00 . A A . 5 CYS H 1 1 15 5994 1 1 5 CYS HA H -3.690 -4.727 0.313 1.00 . A A . 5 CYS HA 1 1 15 5995 1 1 5 CYS HB2 H -2.238 -2.657 -0.062 1.00 . A A . 5 CYS HB2 1 1 15 5996 1 1 5 CYS HB3 H -2.663 -2.801 -1.761 1.00 . A A . 5 CYS HB3 1 1 15 5997 1 1 5 CYS N N -1.825 -5.167 -0.448 1.00 . A A . 5 CYS N 1 1 15 5998 1 1 5 CYS O O -3.294 -5.692 -2.680 1.00 . A A . 5 CYS O 1 1 15 5999 1 1 5 CYS SG S -4.518 -2.097 -0.442 1.00 . A A . 5 CYS SG 1 1 15 6000 1 1 6 SER C C -6.746 -4.196 -3.569 1.00 . A A . 6 SER C 1 1 15 6001 1 1 6 SER CA C -6.037 -5.363 -2.884 1.00 . A A . 6 SER CA 1 1 15 6002 1 1 6 SER CB C -7.067 -6.367 -2.364 1.00 . A A . 6 SER CB 1 1 15 6003 1 1 6 SER H H -5.610 -4.397 -1.052 1.00 . A A . 6 SER H 1 1 15 6004 1 1 6 SER HA H -5.399 -5.854 -3.603 1.00 . A A . 6 SER HA 1 1 15 6005 1 1 6 SER HB2 H -6.559 -7.260 -2.031 1.00 . A A . 6 SER HB2 1 1 15 6006 1 1 6 SER HB3 H -7.606 -5.930 -1.536 1.00 . A A . 6 SER HB3 1 1 15 6007 1 1 6 SER HG H -7.607 -7.394 -3.942 1.00 . A A . 6 SER HG 1 1 15 6008 1 1 6 SER N N -5.197 -4.888 -1.792 1.00 . A A . 6 SER N 1 1 15 6009 1 1 6 SER O O -7.726 -4.392 -4.288 1.00 . A A . 6 SER O 1 1 15 6010 1 1 6 SER OG O -7.992 -6.720 -3.377 1.00 . A A . 6 SER OG 1 1 15 6011 1 1 7 LEU C C -5.988 -1.259 -5.087 1.00 . A A . 7 LEU C 1 1 15 6012 1 1 7 LEU CA C -6.846 -1.790 -3.941 1.00 . A A . 7 LEU CA 1 1 15 6013 1 1 7 LEU CB C -7.032 -0.697 -2.886 1.00 . A A . 7 LEU CB 1 1 15 6014 1 1 7 LEU CD1 C -7.346 -0.656 -0.393 1.00 . A A . 7 LEU CD1 1 1 15 6015 1 1 7 LEU CD2 C -9.324 -0.414 -1.908 1.00 . A A . 7 LEU CD2 1 1 15 6016 1 1 7 LEU CG C -7.961 -1.065 -1.725 1.00 . A A . 7 LEU CG 1 1 15 6017 1 1 7 LEU H H -5.465 -2.879 -2.758 1.00 . A A . 7 LEU H 1 1 15 6018 1 1 7 LEU HA H -7.814 -2.068 -4.330 1.00 . A A . 7 LEU HA 1 1 15 6019 1 1 7 LEU HB2 H -6.062 -0.446 -2.483 1.00 . A A . 7 LEU HB2 1 1 15 6020 1 1 7 LEU HB3 H -7.434 0.178 -3.375 1.00 . A A . 7 LEU HB3 1 1 15 6021 1 1 7 LEU HD11 H -7.065 -1.540 0.160 1.00 . A A . 7 LEU HD11 1 1 15 6022 1 1 7 LEU HD12 H -8.067 -0.089 0.179 1.00 . A A . 7 LEU HD12 1 1 15 6023 1 1 7 LEU HD13 H -6.471 -0.049 -0.570 1.00 . A A . 7 LEU HD13 1 1 15 6024 1 1 7 LEU HD21 H -9.687 -0.612 -2.906 1.00 . A A . 7 LEU HD21 1 1 15 6025 1 1 7 LEU HD22 H -9.237 0.652 -1.762 1.00 . A A . 7 LEU HD22 1 1 15 6026 1 1 7 LEU HD23 H -10.017 -0.821 -1.186 1.00 . A A . 7 LEU HD23 1 1 15 6027 1 1 7 LEU HG H -8.100 -2.136 -1.712 1.00 . A A . 7 LEU HG 1 1 15 6028 1 1 7 LEU N N -6.249 -2.979 -3.341 1.00 . A A . 7 LEU N 1 1 15 6029 1 1 7 LEU O O -4.760 -1.337 -5.042 1.00 . A A . 7 LEU O 1 1 15 6030 1 1 8 PRO C C -5.346 1.237 -7.011 1.00 . A A . 8 PRO C 1 1 15 6031 1 1 8 PRO CA C -5.919 -0.151 -7.289 1.00 . A A . 8 PRO CA 1 1 15 6032 1 1 8 PRO CB C -7.012 -0.075 -8.352 1.00 . A A . 8 PRO CB 1 1 15 6033 1 1 8 PRO CD C -8.091 -0.563 -6.266 1.00 . A A . 8 PRO CD 1 1 15 6034 1 1 8 PRO CG C -8.266 0.153 -7.581 1.00 . A A . 8 PRO CG 1 1 15 6035 1 1 8 PRO HA H -5.130 -0.808 -7.623 1.00 . A A . 8 PRO HA 1 1 15 6036 1 1 8 PRO HB2 H -6.806 0.744 -9.026 1.00 . A A . 8 PRO HB2 1 1 15 6037 1 1 8 PRO HB3 H -7.050 -1.003 -8.902 1.00 . A A . 8 PRO HB3 1 1 15 6038 1 1 8 PRO HD2 H -8.496 0.029 -5.458 1.00 . A A . 8 PRO HD2 1 1 15 6039 1 1 8 PRO HD3 H -8.568 -1.531 -6.299 1.00 . A A . 8 PRO HD3 1 1 15 6040 1 1 8 PRO HG2 H -8.407 1.211 -7.415 1.00 . A A . 8 PRO HG2 1 1 15 6041 1 1 8 PRO HG3 H -9.107 -0.256 -8.120 1.00 . A A . 8 PRO HG3 1 1 15 6042 1 1 8 PRO N N -6.627 -0.703 -6.132 1.00 . A A . 8 PRO N 1 1 15 6043 1 1 8 PRO O O -4.513 1.738 -7.766 1.00 . A A . 8 PRO O 1 1 15 6044 1 1 9 HIS C C -3.931 3.104 -4.942 1.00 . A A . 9 HIS C 1 1 15 6045 1 1 9 HIS CA C -5.328 3.179 -5.538 1.00 . A A . 9 HIS CA 1 1 15 6046 1 1 9 HIS CB C -6.280 3.805 -4.518 1.00 . A A . 9 HIS CB 1 1 15 6047 1 1 9 HIS CD2 C -5.054 5.924 -3.671 1.00 . A A . 9 HIS CD2 1 1 15 6048 1 1 9 HIS CE1 C -6.444 7.433 -4.445 1.00 . A A . 9 HIS CE1 1 1 15 6049 1 1 9 HIS CG C -6.052 5.268 -4.309 1.00 . A A . 9 HIS CG 1 1 15 6050 1 1 9 HIS H H -6.456 1.401 -5.356 1.00 . A A . 9 HIS H 1 1 15 6051 1 1 9 HIS HA H -5.302 3.795 -6.424 1.00 . A A . 9 HIS HA 1 1 15 6052 1 1 9 HIS HB2 H -7.298 3.668 -4.851 1.00 . A A . 9 HIS HB2 1 1 15 6053 1 1 9 HIS HB3 H -6.149 3.311 -3.564 1.00 . A A . 9 HIS HB3 1 1 15 6054 1 1 9 HIS HD1 H -7.730 6.083 -5.291 1.00 . A A . 9 HIS HD1 1 1 15 6055 1 1 9 HIS HD2 H -4.205 5.473 -3.176 1.00 . A A . 9 HIS HD2 1 1 15 6056 1 1 9 HIS HE1 H -6.907 8.380 -4.680 1.00 . A A . 9 HIS HE1 1 1 15 6057 1 1 9 HIS HE2 H -4.820 7.982 -3.325 1.00 . A A . 9 HIS HE2 1 1 15 6058 1 1 9 HIS N N -5.796 1.852 -5.920 1.00 . A A . 9 HIS N 1 1 15 6059 1 1 9 HIS ND1 N -6.907 6.242 -4.782 1.00 . A A . 9 HIS ND1 1 1 15 6060 1 1 9 HIS NE2 N -5.322 7.267 -3.770 1.00 . A A . 9 HIS NE2 1 1 15 6061 1 1 9 HIS O O -3.020 3.819 -5.362 1.00 . A A . 9 HIS O 1 1 15 6062 1 1 10 CYS C C -1.455 1.467 -4.234 1.00 . A A . 10 CYS C 1 1 15 6063 1 1 10 CYS CA C -2.499 2.050 -3.284 1.00 . A A . 10 CYS CA 1 1 15 6064 1 1 10 CYS CB C -2.667 1.134 -2.071 1.00 . A A . 10 CYS CB 1 1 15 6065 1 1 10 CYS H H -4.546 1.697 -3.672 1.00 . A A . 10 CYS H 1 1 15 6066 1 1 10 CYS HA H -2.161 3.018 -2.947 1.00 . A A . 10 CYS HA 1 1 15 6067 1 1 10 CYS HB2 H -2.695 0.109 -2.408 1.00 . A A . 10 CYS HB2 1 1 15 6068 1 1 10 CYS HB3 H -1.823 1.266 -1.411 1.00 . A A . 10 CYS HB3 1 1 15 6069 1 1 10 CYS N N -3.777 2.232 -3.956 1.00 . A A . 10 CYS N 1 1 15 6070 1 1 10 CYS O O -0.258 1.509 -3.952 1.00 . A A . 10 CYS O 1 1 15 6071 1 1 10 CYS SG S -4.183 1.437 -1.103 1.00 . A A . 10 CYS SG 1 1 15 6072 1 1 11 ARG C C -0.471 1.385 -7.315 1.00 . A A . 11 ARG C 1 1 15 6073 1 1 11 ARG CA C -1.009 0.334 -6.343 1.00 . A A . 11 ARG CA 1 1 15 6074 1 1 11 ARG CB C -1.724 -0.775 -7.118 1.00 . A A . 11 ARG CB 1 1 15 6075 1 1 11 ARG CD C -1.210 -3.014 -8.136 1.00 . A A . 11 ARG CD 1 1 15 6076 1 1 11 ARG CG C -0.811 -1.549 -8.055 1.00 . A A . 11 ARG CG 1 1 15 6077 1 1 11 ARG CZ C -1.046 -3.580 -10.528 1.00 . A A . 11 ARG CZ 1 1 15 6078 1 1 11 ARG H H -2.878 0.918 -5.534 1.00 . A A . 11 ARG H 1 1 15 6079 1 1 11 ARG HA H -0.177 -0.098 -5.807 1.00 . A A . 11 ARG HA 1 1 15 6080 1 1 11 ARG HB2 H -2.153 -1.471 -6.412 1.00 . A A . 11 ARG HB2 1 1 15 6081 1 1 11 ARG HB3 H -2.517 -0.335 -7.704 1.00 . A A . 11 ARG HB3 1 1 15 6082 1 1 11 ARG HD2 H -0.896 -3.510 -7.229 1.00 . A A . 11 ARG HD2 1 1 15 6083 1 1 11 ARG HD3 H -2.284 -3.077 -8.226 1.00 . A A . 11 ARG HD3 1 1 15 6084 1 1 11 ARG HE H 0.189 -4.245 -9.108 1.00 . A A . 11 ARG HE 1 1 15 6085 1 1 11 ARG HG2 H -0.873 -1.116 -9.042 1.00 . A A . 11 ARG HG2 1 1 15 6086 1 1 11 ARG HG3 H 0.204 -1.481 -7.691 1.00 . A A . 11 ARG HG3 1 1 15 6087 1 1 11 ARG HH11 H -2.577 -2.344 -10.063 1.00 . A A . 11 ARG HH11 1 1 15 6088 1 1 11 ARG HH12 H -2.440 -2.757 -11.739 1.00 . A A . 11 ARG HH12 1 1 15 6089 1 1 11 ARG HH21 H 0.372 -4.789 -11.312 1.00 . A A . 11 ARG HH21 1 1 15 6090 1 1 11 ARG HH22 H -0.766 -4.145 -12.448 1.00 . A A . 11 ARG HH22 1 1 15 6091 1 1 11 ARG N N -1.912 0.924 -5.360 1.00 . A A . 11 ARG N 1 1 15 6092 1 1 11 ARG NE N -0.597 -3.686 -9.279 1.00 . A A . 11 ARG NE 1 1 15 6093 1 1 11 ARG NH1 N -2.108 -2.832 -10.799 1.00 . A A . 11 ARG NH1 1 1 15 6094 1 1 11 ARG NH2 N -0.430 -4.224 -11.510 1.00 . A A . 11 ARG NH2 1 1 15 6095 1 1 11 ARG O O -0.089 1.063 -8.440 1.00 . A A . 11 ARG O 1 1 15 6096 1 1 12 THR C C 1.549 3.560 -7.986 1.00 . A A . 12 THR C 1 1 15 6097 1 1 12 THR CA C 0.060 3.730 -7.705 1.00 . A A . 12 THR CA 1 1 15 6098 1 1 12 THR CB C -0.190 5.072 -7.015 1.00 . A A . 12 THR CB 1 1 15 6099 1 1 12 THR CG2 C 0.307 6.259 -7.811 1.00 . A A . 12 THR CG2 1 1 15 6100 1 1 12 THR H H -0.750 2.839 -5.970 1.00 . A A . 12 THR H 1 1 15 6101 1 1 12 THR HA H -0.479 3.709 -8.641 1.00 . A A . 12 THR HA 1 1 15 6102 1 1 12 THR HB H 0.323 5.073 -6.062 1.00 . A A . 12 THR HB 1 1 15 6103 1 1 12 THR HG1 H -1.736 5.273 -5.830 1.00 . A A . 12 THR HG1 1 1 15 6104 1 1 12 THR HG21 H 0.629 5.929 -8.787 1.00 . A A . 12 THR HG21 1 1 15 6105 1 1 12 THR HG22 H 1.138 6.717 -7.293 1.00 . A A . 12 THR HG22 1 1 15 6106 1 1 12 THR HG23 H -0.490 6.979 -7.919 1.00 . A A . 12 THR HG23 1 1 15 6107 1 1 12 THR N N -0.437 2.640 -6.874 1.00 . A A . 12 THR N 1 1 15 6108 1 1 12 THR O O 1.945 3.176 -9.087 1.00 . A A . 12 THR O 1 1 15 6109 1 1 12 THR OG1 O -1.573 5.263 -6.776 1.00 . A A . 12 THR OG1 1 1 15 6110 1 1 13 MET C C 4.386 2.766 -6.065 1.00 . A A . 13 MET C 1 1 15 6111 1 1 13 MET CA C 3.816 3.722 -7.112 1.00 . A A . 13 MET CA 1 1 15 6112 1 1 13 MET CB C 4.479 5.095 -6.978 1.00 . A A . 13 MET CB 1 1 15 6113 1 1 13 MET CE C 5.706 6.584 -10.190 1.00 . A A . 13 MET CE 1 1 15 6114 1 1 13 MET CG C 4.033 6.091 -8.036 1.00 . A A . 13 MET CG 1 1 15 6115 1 1 13 MET H H 1.994 4.143 -6.127 1.00 . A A . 13 MET H 1 1 15 6116 1 1 13 MET HA H 4.027 3.327 -8.094 1.00 . A A . 13 MET HA 1 1 15 6117 1 1 13 MET HB2 H 4.241 5.503 -6.007 1.00 . A A . 13 MET HB2 1 1 15 6118 1 1 13 MET HB3 H 5.549 4.974 -7.056 1.00 . A A . 13 MET HB3 1 1 15 6119 1 1 13 MET HE1 H 5.470 5.531 -10.237 1.00 . A A . 13 MET HE1 1 1 15 6120 1 1 13 MET HE2 H 6.752 6.730 -10.417 1.00 . A A . 13 MET HE2 1 1 15 6121 1 1 13 MET HE3 H 5.104 7.120 -10.910 1.00 . A A . 13 MET HE3 1 1 15 6122 1 1 13 MET HG2 H 3.689 5.545 -8.902 1.00 . A A . 13 MET HG2 1 1 15 6123 1 1 13 MET HG3 H 3.221 6.680 -7.637 1.00 . A A . 13 MET HG3 1 1 15 6124 1 1 13 MET N N 2.370 3.845 -6.980 1.00 . A A . 13 MET N 1 1 15 6125 1 1 13 MET O O 5.601 2.601 -5.967 1.00 . A A . 13 MET O 1 1 15 6126 1 1 13 MET SD S 5.359 7.202 -8.545 1.00 . A A . 13 MET SD 1 1 15 6127 1 1 14 LYS C C 4.329 1.928 -2.969 1.00 . A A . 14 LYS C 1 1 15 6128 1 1 14 LYS CA C 3.902 1.195 -4.243 1.00 . A A . 14 LYS CA 1 1 15 6129 1 1 14 LYS CB C 5.020 0.264 -4.749 1.00 . A A . 14 LYS CB 1 1 15 6130 1 1 14 LYS CD C 7.478 0.174 -5.281 1.00 . A A . 14 LYS CD 1 1 15 6131 1 1 14 LYS CE C 8.844 0.061 -4.624 1.00 . A A . 14 LYS CE 1 1 15 6132 1 1 14 LYS CG C 6.422 0.644 -4.292 1.00 . A A . 14 LYS CG 1 1 15 6133 1 1 14 LYS H H 2.545 2.316 -5.415 1.00 . A A . 14 LYS H 1 1 15 6134 1 1 14 LYS HA H 3.036 0.593 -4.008 1.00 . A A . 14 LYS HA 1 1 15 6135 1 1 14 LYS HB2 H 4.817 -0.738 -4.403 1.00 . A A . 14 LYS HB2 1 1 15 6136 1 1 14 LYS HB3 H 5.006 0.266 -5.830 1.00 . A A . 14 LYS HB3 1 1 15 6137 1 1 14 LYS HD2 H 7.193 -0.794 -5.664 1.00 . A A . 14 LYS HD2 1 1 15 6138 1 1 14 LYS HD3 H 7.536 0.883 -6.094 1.00 . A A . 14 LYS HD3 1 1 15 6139 1 1 14 LYS HE2 H 9.576 -0.172 -5.383 1.00 . A A . 14 LYS HE2 1 1 15 6140 1 1 14 LYS HE3 H 9.089 1.008 -4.167 1.00 . A A . 14 LYS HE3 1 1 15 6141 1 1 14 LYS HG2 H 6.484 1.717 -4.199 1.00 . A A . 14 LYS HG2 1 1 15 6142 1 1 14 LYS HG3 H 6.611 0.187 -3.333 1.00 . A A . 14 LYS HG3 1 1 15 6143 1 1 14 LYS HZ1 H 9.857 -1.245 -3.346 1.00 . A A . 14 LYS HZ1 1 1 15 6144 1 1 14 LYS HZ2 H 8.392 -1.856 -3.928 1.00 . A A . 14 LYS HZ2 1 1 15 6145 1 1 14 LYS HZ3 H 8.393 -0.672 -2.721 1.00 . A A . 14 LYS HZ3 1 1 15 6146 1 1 14 LYS N N 3.500 2.139 -5.286 1.00 . A A . 14 LYS N 1 1 15 6147 1 1 14 LYS NZ N 8.873 -1.002 -3.582 1.00 . A A . 14 LYS NZ 1 1 15 6148 1 1 14 LYS O O 5.048 1.377 -2.135 1.00 . A A . 14 LYS O 1 1 15 6149 1 1 15 ASN C C 3.590 3.360 -0.396 1.00 . A A . 15 ASN C 1 1 15 6150 1 1 15 ASN CA C 4.198 3.971 -1.653 1.00 . A A . 15 ASN CA 1 1 15 6151 1 1 15 ASN CB C 3.694 5.401 -1.842 1.00 . A A . 15 ASN CB 1 1 15 6152 1 1 15 ASN CG C 2.273 5.455 -2.372 1.00 . A A . 15 ASN CG 1 1 15 6153 1 1 15 ASN H H 3.300 3.554 -3.511 1.00 . A A . 15 ASN H 1 1 15 6154 1 1 15 ASN HA H 5.273 3.987 -1.549 1.00 . A A . 15 ASN HA 1 1 15 6155 1 1 15 ASN HB2 H 3.721 5.908 -0.896 1.00 . A A . 15 ASN HB2 1 1 15 6156 1 1 15 ASN HB3 H 4.338 5.915 -2.540 1.00 . A A . 15 ASN HB3 1 1 15 6157 1 1 15 ASN HD21 H 2.828 6.721 -3.801 1.00 . A A . 15 ASN HD21 1 1 15 6158 1 1 15 ASN HD22 H 1.156 6.286 -3.791 1.00 . A A . 15 ASN HD22 1 1 15 6159 1 1 15 ASN N N 3.874 3.169 -2.822 1.00 . A A . 15 ASN N 1 1 15 6160 1 1 15 ASN ND2 N 2.065 6.233 -3.428 1.00 . A A . 15 ASN ND2 1 1 15 6161 1 1 15 ASN O O 2.566 3.827 0.104 1.00 . A A . 15 ASN O 1 1 15 6162 1 1 15 ASN OD1 O 1.374 4.805 -1.839 1.00 . A A . 15 ASN OD1 1 1 15 6163 1 1 16 VAL C C 3.352 2.581 2.404 1.00 . A A . 16 VAL C 1 1 15 6164 1 1 16 VAL CA C 3.758 1.608 1.299 1.00 . A A . 16 VAL CA 1 1 15 6165 1 1 16 VAL CB C 4.833 0.653 1.848 1.00 . A A . 16 VAL CB 1 1 15 6166 1 1 16 VAL CG1 C 4.266 -0.205 2.969 1.00 . A A . 16 VAL CG1 1 1 15 6167 1 1 16 VAL CG2 C 5.397 -0.216 0.733 1.00 . A A . 16 VAL CG2 1 1 15 6168 1 1 16 VAL H H 5.032 1.982 -0.351 1.00 . A A . 16 VAL H 1 1 15 6169 1 1 16 VAL HA H 2.898 1.019 1.023 1.00 . A A . 16 VAL HA 1 1 15 6170 1 1 16 VAL HB H 5.636 1.247 2.253 1.00 . A A . 16 VAL HB 1 1 15 6171 1 1 16 VAL HG11 H 3.193 -0.269 2.865 1.00 . A A . 16 VAL HG11 1 1 15 6172 1 1 16 VAL HG12 H 4.510 0.240 3.922 1.00 . A A . 16 VAL HG12 1 1 15 6173 1 1 16 VAL HG13 H 4.692 -1.196 2.914 1.00 . A A . 16 VAL HG13 1 1 15 6174 1 1 16 VAL HG21 H 5.597 -1.206 1.114 1.00 . A A . 16 VAL HG21 1 1 15 6175 1 1 16 VAL HG22 H 6.315 0.220 0.367 1.00 . A A . 16 VAL HG22 1 1 15 6176 1 1 16 VAL HG23 H 4.681 -0.277 -0.073 1.00 . A A . 16 VAL HG23 1 1 15 6177 1 1 16 VAL N N 4.226 2.305 0.103 1.00 . A A . 16 VAL N 1 1 15 6178 1 1 16 VAL O O 2.318 2.404 3.047 1.00 . A A . 16 VAL O 1 1 15 6179 1 1 17 LEU C C 2.539 5.259 3.417 1.00 . A A . 17 LEU C 1 1 15 6180 1 1 17 LEU CA C 3.888 4.595 3.654 1.00 . A A . 17 LEU CA 1 1 15 6181 1 1 17 LEU CB C 4.993 5.652 3.691 1.00 . A A . 17 LEU CB 1 1 15 6182 1 1 17 LEU CD1 C 7.401 5.990 3.078 1.00 . A A . 17 LEU CD1 1 1 15 6183 1 1 17 LEU CD2 C 6.806 4.964 5.279 1.00 . A A . 17 LEU CD2 1 1 15 6184 1 1 17 LEU CG C 6.414 5.099 3.816 1.00 . A A . 17 LEU CG 1 1 15 6185 1 1 17 LEU H H 4.983 3.696 2.083 1.00 . A A . 17 LEU H 1 1 15 6186 1 1 17 LEU HA H 3.859 4.086 4.599 1.00 . A A . 17 LEU HA 1 1 15 6187 1 1 17 LEU HB2 H 4.934 6.235 2.784 1.00 . A A . 17 LEU HB2 1 1 15 6188 1 1 17 LEU HB3 H 4.811 6.303 4.530 1.00 . A A . 17 LEU HB3 1 1 15 6189 1 1 17 LEU HD11 H 8.273 5.415 2.807 1.00 . A A . 17 LEU HD11 1 1 15 6190 1 1 17 LEU HD12 H 7.694 6.809 3.718 1.00 . A A . 17 LEU HD12 1 1 15 6191 1 1 17 LEU HD13 H 6.935 6.381 2.185 1.00 . A A . 17 LEU HD13 1 1 15 6192 1 1 17 LEU HD21 H 6.259 5.688 5.866 1.00 . A A . 17 LEU HD21 1 1 15 6193 1 1 17 LEU HD22 H 7.866 5.141 5.386 1.00 . A A . 17 LEU HD22 1 1 15 6194 1 1 17 LEU HD23 H 6.570 3.969 5.625 1.00 . A A . 17 LEU HD23 1 1 15 6195 1 1 17 LEU HG H 6.452 4.117 3.367 1.00 . A A . 17 LEU HG 1 1 15 6196 1 1 17 LEU N N 4.171 3.605 2.623 1.00 . A A . 17 LEU N 1 1 15 6197 1 1 17 LEU O O 1.815 5.580 4.359 1.00 . A A . 17 LEU O 1 1 15 6198 1 1 18 ASN C C -0.210 5.083 1.933 1.00 . A A . 18 ASN C 1 1 15 6199 1 1 18 ASN CA C 0.943 6.067 1.771 1.00 . A A . 18 ASN CA 1 1 15 6200 1 1 18 ASN CB C 1.006 6.569 0.326 1.00 . A A . 18 ASN CB 1 1 15 6201 1 1 18 ASN CG C 0.740 8.058 0.219 1.00 . A A . 18 ASN CG 1 1 15 6202 1 1 18 ASN H H 2.831 5.164 1.453 1.00 . A A . 18 ASN H 1 1 15 6203 1 1 18 ASN HA H 0.776 6.907 2.427 1.00 . A A . 18 ASN HA 1 1 15 6204 1 1 18 ASN HB2 H 1.987 6.369 -0.075 1.00 . A A . 18 ASN HB2 1 1 15 6205 1 1 18 ASN HB3 H 0.267 6.047 -0.265 1.00 . A A . 18 ASN HB3 1 1 15 6206 1 1 18 ASN HD21 H 2.005 8.199 -1.309 1.00 . A A . 18 ASN HD21 1 1 15 6207 1 1 18 ASN HD22 H 1.243 9.672 -0.828 1.00 . A A . 18 ASN HD22 1 1 15 6208 1 1 18 ASN N N 2.209 5.451 2.150 1.00 . A A . 18 ASN N 1 1 15 6209 1 1 18 ASN ND2 N 1.396 8.709 -0.736 1.00 . A A . 18 ASN ND2 1 1 15 6210 1 1 18 ASN O O -1.349 5.479 2.181 1.00 . A A . 18 ASN O 1 1 15 6211 1 1 18 ASN OD1 O -0.045 8.617 0.984 1.00 . A A . 18 ASN OD1 1 1 15 6212 1 1 19 HIS C C -1.267 2.498 3.370 1.00 . A A . 19 HIS C 1 1 15 6213 1 1 19 HIS CA C -0.917 2.755 1.904 1.00 . A A . 19 HIS CA 1 1 15 6214 1 1 19 HIS CB C -0.428 1.467 1.222 1.00 . A A . 19 HIS CB 1 1 15 6215 1 1 19 HIS CD2 C -0.453 -0.685 2.649 1.00 . A A . 19 HIS CD2 1 1 15 6216 1 1 19 HIS CE1 C -2.470 -1.329 2.151 1.00 . A A . 19 HIS CE1 1 1 15 6217 1 1 19 HIS CG C -1.008 0.205 1.790 1.00 . A A . 19 HIS CG 1 1 15 6218 1 1 19 HIS H H 1.017 3.547 1.580 1.00 . A A . 19 HIS H 1 1 15 6219 1 1 19 HIS HA H -1.802 3.102 1.397 1.00 . A A . 19 HIS HA 1 1 15 6220 1 1 19 HIS HB2 H -0.688 1.505 0.176 1.00 . A A . 19 HIS HB2 1 1 15 6221 1 1 19 HIS HB3 H 0.646 1.410 1.316 1.00 . A A . 19 HIS HB3 1 1 15 6222 1 1 19 HIS HD2 H 0.531 -0.634 3.085 1.00 . A A . 19 HIS HD2 1 1 15 6223 1 1 19 HIS HE1 H -3.395 -1.884 2.147 1.00 . A A . 19 HIS HE1 1 1 15 6224 1 1 19 HIS HE2 H -1.355 -2.338 3.579 1.00 . A A . 19 HIS HE2 1 1 15 6225 1 1 19 HIS N N 0.093 3.798 1.783 1.00 . A A . 19 HIS N 1 1 15 6226 1 1 19 HIS ND1 N -2.281 -0.212 1.481 1.00 . A A . 19 HIS ND1 1 1 15 6227 1 1 19 HIS NE2 N -1.390 -1.660 2.873 1.00 . A A . 19 HIS NE2 1 1 15 6228 1 1 19 HIS O O -2.422 2.624 3.772 1.00 . A A . 19 HIS O 1 1 15 6229 1 1 20 MET C C -1.132 3.053 6.287 1.00 . A A . 20 MET C 1 1 15 6230 1 1 20 MET CA C -0.487 1.862 5.582 1.00 . A A . 20 MET CA 1 1 15 6231 1 1 20 MET CB C 0.834 1.504 6.265 1.00 . A A . 20 MET CB 1 1 15 6232 1 1 20 MET CE C 3.679 -0.809 7.045 1.00 . A A . 20 MET CE 1 1 15 6233 1 1 20 MET CG C 1.187 0.028 6.171 1.00 . A A . 20 MET CG 1 1 15 6234 1 1 20 MET H H 0.634 2.049 3.793 1.00 . A A . 20 MET H 1 1 15 6235 1 1 20 MET HA H -1.157 1.021 5.652 1.00 . A A . 20 MET HA 1 1 15 6236 1 1 20 MET HB2 H 1.629 2.072 5.806 1.00 . A A . 20 MET HB2 1 1 15 6237 1 1 20 MET HB3 H 0.770 1.770 7.310 1.00 . A A . 20 MET HB3 1 1 15 6238 1 1 20 MET HE1 H 3.658 -1.406 6.145 1.00 . A A . 20 MET HE1 1 1 15 6239 1 1 20 MET HE2 H 4.271 -1.312 7.796 1.00 . A A . 20 MET HE2 1 1 15 6240 1 1 20 MET HE3 H 4.116 0.154 6.828 1.00 . A A . 20 MET HE3 1 1 15 6241 1 1 20 MET HG2 H 0.278 -0.536 6.022 1.00 . A A . 20 MET HG2 1 1 15 6242 1 1 20 MET HG3 H 1.842 -0.118 5.325 1.00 . A A . 20 MET HG3 1 1 15 6243 1 1 20 MET N N -0.268 2.137 4.165 1.00 . A A . 20 MET N 1 1 15 6244 1 1 20 MET O O -1.755 2.900 7.337 1.00 . A A . 20 MET O 1 1 15 6245 1 1 20 MET SD S 2.010 -0.585 7.653 1.00 . A A . 20 MET SD 1 1 15 6246 1 1 21 THR C C -3.075 5.373 6.325 1.00 . A A . 21 THR C 1 1 15 6247 1 1 21 THR CA C -1.551 5.448 6.281 1.00 . A A . 21 THR CA 1 1 15 6248 1 1 21 THR CB C -1.098 6.673 5.478 1.00 . A A . 21 THR CB 1 1 15 6249 1 1 21 THR CG2 C -2.021 7.035 4.331 1.00 . A A . 21 THR CG2 1 1 15 6250 1 1 21 THR H H -0.474 4.300 4.870 1.00 . A A . 21 THR H 1 1 15 6251 1 1 21 THR HA H -1.181 5.536 7.290 1.00 . A A . 21 THR HA 1 1 15 6252 1 1 21 THR HB H -0.124 6.466 5.061 1.00 . A A . 21 THR HB 1 1 15 6253 1 1 21 THR HG1 H -0.100 8.166 6.258 1.00 . A A . 21 THR HG1 1 1 15 6254 1 1 21 THR HG21 H -1.441 7.448 3.518 1.00 . A A . 21 THR HG21 1 1 15 6255 1 1 21 THR HG22 H -2.742 7.765 4.666 1.00 . A A . 21 THR HG22 1 1 15 6256 1 1 21 THR HG23 H -2.537 6.149 3.990 1.00 . A A . 21 THR HG23 1 1 15 6257 1 1 21 THR N N -0.981 4.237 5.705 1.00 . A A . 21 THR N 1 1 15 6258 1 1 21 THR O O -3.716 6.022 7.152 1.00 . A A . 21 THR O 1 1 15 6259 1 1 21 THR OG1 O -0.989 7.810 6.315 1.00 . A A . 21 THR OG1 1 1 15 6260 1 1 22 HIS C C -5.533 2.977 5.394 1.00 . A A . 22 HIS C 1 1 15 6261 1 1 22 HIS CA C -5.102 4.438 5.352 1.00 . A A . 22 HIS CA 1 1 15 6262 1 1 22 HIS CB C -5.644 5.086 4.075 1.00 . A A . 22 HIS CB 1 1 15 6263 1 1 22 HIS CD2 C -4.599 3.335 2.439 1.00 . A A . 22 HIS CD2 1 1 15 6264 1 1 22 HIS CE1 C -4.189 4.689 0.769 1.00 . A A . 22 HIS CE1 1 1 15 6265 1 1 22 HIS CG C -5.013 4.578 2.809 1.00 . A A . 22 HIS CG 1 1 15 6266 1 1 22 HIS H H -3.081 4.103 4.785 1.00 . A A . 22 HIS H 1 1 15 6267 1 1 22 HIS HA H -5.525 4.948 6.204 1.00 . A A . 22 HIS HA 1 1 15 6268 1 1 22 HIS HB2 H -6.706 4.898 4.011 1.00 . A A . 22 HIS HB2 1 1 15 6269 1 1 22 HIS HB3 H -5.477 6.152 4.125 1.00 . A A . 22 HIS HB3 1 1 15 6270 1 1 22 HIS HD1 H -4.923 6.360 1.690 1.00 . A A . 22 HIS HD1 1 1 15 6271 1 1 22 HIS HD2 H -4.663 2.425 3.025 1.00 . A A . 22 HIS HD2 1 1 15 6272 1 1 22 HIS HE1 H -3.880 5.067 -0.196 1.00 . A A . 22 HIS HE1 1 1 15 6273 1 1 22 HIS HE2 H -3.499 2.776 0.760 1.00 . A A . 22 HIS HE2 1 1 15 6274 1 1 22 HIS N N -3.648 4.586 5.422 1.00 . A A . 22 HIS N 1 1 15 6275 1 1 22 HIS ND1 N -4.740 5.399 1.736 1.00 . A A . 22 HIS ND1 1 1 15 6276 1 1 22 HIS NE2 N -4.088 3.437 1.170 1.00 . A A . 22 HIS NE2 1 1 15 6277 1 1 22 HIS O O -6.700 2.676 5.643 1.00 . A A . 22 HIS O 1 1 15 6278 1 1 23 CYS C C -4.344 -0.042 6.327 1.00 . A A . 23 CYS C 1 1 15 6279 1 1 23 CYS CA C -4.903 0.664 5.094 1.00 . A A . 23 CYS CA 1 1 15 6280 1 1 23 CYS CB C -4.304 0.076 3.826 1.00 . A A . 23 CYS CB 1 1 15 6281 1 1 23 CYS H H -3.698 2.362 4.901 1.00 . A A . 23 CYS H 1 1 15 6282 1 1 23 CYS HA H -5.974 0.543 5.070 1.00 . A A . 23 CYS HA 1 1 15 6283 1 1 23 CYS HB2 H -3.476 0.695 3.515 1.00 . A A . 23 CYS HB2 1 1 15 6284 1 1 23 CYS HB3 H -3.940 -0.909 4.037 1.00 . A A . 23 CYS HB3 1 1 15 6285 1 1 23 CYS N N -4.604 2.075 5.119 1.00 . A A . 23 CYS N 1 1 15 6286 1 1 23 CYS O O -3.132 -0.078 6.538 1.00 . A A . 23 CYS O 1 1 15 6287 1 1 23 CYS SG S -5.464 -0.027 2.420 1.00 . A A . 23 CYS SG 1 1 15 6288 1 1 24 GLN C C -4.191 -2.647 8.010 1.00 . A A . 24 GLN C 1 1 15 6289 1 1 24 GLN CA C -4.833 -1.306 8.349 1.00 . A A . 24 GLN CA 1 1 15 6290 1 1 24 GLN CB C -6.039 -1.522 9.264 1.00 . A A . 24 GLN CB 1 1 15 6291 1 1 24 GLN CD C -8.098 -2.922 9.692 1.00 . A A . 24 GLN CD 1 1 15 6292 1 1 24 GLN CG C -7.110 -2.415 8.659 1.00 . A A . 24 GLN CG 1 1 15 6293 1 1 24 GLN H H -6.189 -0.539 6.916 1.00 . A A . 24 GLN H 1 1 15 6294 1 1 24 GLN HA H -4.108 -0.693 8.862 1.00 . A A . 24 GLN HA 1 1 15 6295 1 1 24 GLN HB2 H -5.702 -1.974 10.185 1.00 . A A . 24 GLN HB2 1 1 15 6296 1 1 24 GLN HB3 H -6.484 -0.563 9.486 1.00 . A A . 24 GLN HB3 1 1 15 6297 1 1 24 GLN HE21 H -9.328 -3.529 8.253 1.00 . A A . 24 GLN HE21 1 1 15 6298 1 1 24 GLN HE22 H -9.866 -3.814 9.870 1.00 . A A . 24 GLN HE22 1 1 15 6299 1 1 24 GLN HG2 H -7.650 -1.853 7.913 1.00 . A A . 24 GLN HG2 1 1 15 6300 1 1 24 GLN HG3 H -6.631 -3.264 8.193 1.00 . A A . 24 GLN HG3 1 1 15 6301 1 1 24 GLN N N -5.236 -0.601 7.137 1.00 . A A . 24 GLN N 1 1 15 6302 1 1 24 GLN NE2 N -9.210 -3.478 9.224 1.00 . A A . 24 GLN NE2 1 1 15 6303 1 1 24 GLN O O -3.987 -2.968 6.839 1.00 . A A . 24 GLN O 1 1 15 6304 1 1 24 GLN OE1 O -7.865 -2.815 10.896 1.00 . A A . 24 GLN OE1 1 1 15 6305 1 1 25 ALA C C -2.275 -4.768 7.711 1.00 . A A . 25 ALA C 1 1 15 6306 1 1 25 ALA CA C -3.256 -4.741 8.881 1.00 . A A . 25 ALA CA 1 1 15 6307 1 1 25 ALA CB C -4.327 -5.805 8.693 1.00 . A A . 25 ALA CB 1 1 15 6308 1 1 25 ALA H H -4.071 -3.105 9.952 1.00 . A A . 25 ALA H 1 1 15 6309 1 1 25 ALA HA H -2.718 -4.969 9.790 1.00 . A A . 25 ALA HA 1 1 15 6310 1 1 25 ALA HB1 H -5.119 -5.413 8.072 1.00 . A A . 25 ALA HB1 1 1 15 6311 1 1 25 ALA HB2 H -4.729 -6.086 9.655 1.00 . A A . 25 ALA HB2 1 1 15 6312 1 1 25 ALA HB3 H -3.893 -6.673 8.217 1.00 . A A . 25 ALA HB3 1 1 15 6313 1 1 25 ALA N N -3.878 -3.426 9.047 1.00 . A A . 25 ALA N 1 1 15 6314 1 1 25 ALA O O -2.654 -5.056 6.576 1.00 . A A . 25 ALA O 1 1 15 6315 1 1 26 GLY C C 1.253 -5.210 7.368 1.00 . A A . 26 GLY C 1 1 15 6316 1 1 26 GLY CA C 0.002 -4.459 6.959 1.00 . A A . 26 GLY CA 1 1 15 6317 1 1 26 GLY H H -0.769 -4.242 8.919 1.00 . A A . 26 GLY H 1 1 15 6318 1 1 26 GLY HA2 H -0.405 -4.917 6.069 1.00 . A A . 26 GLY HA2 1 1 15 6319 1 1 26 GLY HA3 H 0.267 -3.436 6.735 1.00 . A A . 26 GLY HA3 1 1 15 6320 1 1 26 GLY N N -1.013 -4.464 7.996 1.00 . A A . 26 GLY N 1 1 15 6321 1 1 26 GLY O O 1.810 -5.977 6.582 1.00 . A A . 26 GLY O 1 1 15 6322 1 1 27 LYS C C 2.693 -6.087 10.561 1.00 . A A . 27 LYS C 1 1 15 6323 1 1 27 LYS CA C 2.891 -5.652 9.113 1.00 . A A . 27 LYS CA 1 1 15 6324 1 1 27 LYS CB C 4.101 -4.721 9.009 1.00 . A A . 27 LYS CB 1 1 15 6325 1 1 27 LYS CD C 5.840 -6.479 8.561 1.00 . A A . 27 LYS CD 1 1 15 6326 1 1 27 LYS CE C 6.434 -7.640 9.342 1.00 . A A . 27 LYS CE 1 1 15 6327 1 1 27 LYS CG C 5.398 -5.355 9.484 1.00 . A A . 27 LYS CG 1 1 15 6328 1 1 27 LYS H H 1.210 -4.367 9.180 1.00 . A A . 27 LYS H 1 1 15 6329 1 1 27 LYS HA H 3.070 -6.528 8.508 1.00 . A A . 27 LYS HA 1 1 15 6330 1 1 27 LYS HB2 H 4.226 -4.426 7.977 1.00 . A A . 27 LYS HB2 1 1 15 6331 1 1 27 LYS HB3 H 3.915 -3.841 9.606 1.00 . A A . 27 LYS HB3 1 1 15 6332 1 1 27 LYS HD2 H 4.984 -6.833 8.006 1.00 . A A . 27 LYS HD2 1 1 15 6333 1 1 27 LYS HD3 H 6.583 -6.099 7.876 1.00 . A A . 27 LYS HD3 1 1 15 6334 1 1 27 LYS HE2 H 5.687 -8.019 10.023 1.00 . A A . 27 LYS HE2 1 1 15 6335 1 1 27 LYS HE3 H 6.715 -8.418 8.648 1.00 . A A . 27 LYS HE3 1 1 15 6336 1 1 27 LYS HG2 H 6.169 -4.599 9.507 1.00 . A A . 27 LYS HG2 1 1 15 6337 1 1 27 LYS HG3 H 5.251 -5.753 10.477 1.00 . A A . 27 LYS HG3 1 1 15 6338 1 1 27 LYS HZ1 H 7.673 -7.750 11.020 1.00 . A A . 27 LYS HZ1 1 1 15 6339 1 1 27 LYS HZ2 H 7.595 -6.210 10.327 1.00 . A A . 27 LYS HZ2 1 1 15 6340 1 1 27 LYS HZ3 H 8.499 -7.428 9.579 1.00 . A A . 27 LYS HZ3 1 1 15 6341 1 1 27 LYS N N 1.697 -4.990 8.601 1.00 . A A . 27 LYS N 1 1 15 6342 1 1 27 LYS NZ N 7.634 -7.228 10.122 1.00 . A A . 27 LYS NZ 1 1 15 6343 1 1 27 LYS O O 2.453 -7.292 10.789 1.00 . A A . 27 LYS O 1 1 15 6344 1 1 27 LYS OXT O 2.780 -5.220 11.456 1.00 . A A . 27 LYS OXT 1 1 15 6345 2 2 1 ZN ZN ZN -4.063 -0.110 0.589 1.00 . B A . 28 ZN ZN 1 1 16 6346 1 1 1 GLU C C 1.182 -2.906 1.340 1.00 . A A . 1 GLU C 1 1 16 6347 1 1 1 GLU CA C 2.098 -3.053 2.548 1.00 . A A . 1 GLU CA 1 1 16 6348 1 1 1 GLU CB C 3.072 -4.213 2.336 1.00 . A A . 1 GLU CB 1 1 16 6349 1 1 1 GLU CD C 5.550 -4.698 2.404 1.00 . A A . 1 GLU CD 1 1 16 6350 1 1 1 GLU CG C 4.368 -4.070 3.116 1.00 . A A . 1 GLU CG 1 1 16 6351 1 1 1 GLU H1 H 0.616 -4.045 3.574 1.00 . A A . 1 GLU H1 1 1 16 6352 1 1 1 GLU H2 H 0.855 -2.416 4.059 1.00 . A A . 1 GLU H2 1 1 16 6353 1 1 1 GLU H3 H 1.982 -3.625 4.521 1.00 . A A . 1 GLU H3 1 1 16 6354 1 1 1 GLU HA H 2.656 -2.137 2.674 1.00 . A A . 1 GLU HA 1 1 16 6355 1 1 1 GLU HB2 H 2.592 -5.131 2.642 1.00 . A A . 1 GLU HB2 1 1 16 6356 1 1 1 GLU HB3 H 3.314 -4.277 1.285 1.00 . A A . 1 GLU HB3 1 1 16 6357 1 1 1 GLU HG2 H 4.572 -3.019 3.261 1.00 . A A . 1 GLU HG2 1 1 16 6358 1 1 1 GLU HG3 H 4.249 -4.548 4.077 1.00 . A A . 1 GLU HG3 1 1 16 6359 1 1 1 GLU N N 1.317 -3.308 3.787 1.00 . A A . 1 GLU N 1 1 16 6360 1 1 1 GLU O O 0.260 -3.697 1.142 1.00 . A A . 1 GLU O 1 1 16 6361 1 1 1 GLU OE1 O 5.725 -5.929 2.517 1.00 . A A . 1 GLU OE1 1 1 16 6362 1 1 1 GLU OE2 O 6.299 -3.959 1.732 1.00 . A A . 1 GLU OE2 1 1 16 6363 1 1 2 VAL C C 0.710 -2.787 -1.629 1.00 . A A . 2 VAL C 1 1 16 6364 1 1 2 VAL CA C 0.652 -1.616 -0.652 1.00 . A A . 2 VAL CA 1 1 16 6365 1 1 2 VAL CB C 1.133 -0.333 -1.358 1.00 . A A . 2 VAL CB 1 1 16 6366 1 1 2 VAL CG1 C 2.500 -0.541 -1.995 1.00 . A A . 2 VAL CG1 1 1 16 6367 1 1 2 VAL CG2 C 0.116 0.125 -2.392 1.00 . A A . 2 VAL CG2 1 1 16 6368 1 1 2 VAL H H 2.194 -1.288 0.754 1.00 . A A . 2 VAL H 1 1 16 6369 1 1 2 VAL HA H -0.372 -1.468 -0.343 1.00 . A A . 2 VAL HA 1 1 16 6370 1 1 2 VAL HB H 1.229 0.442 -0.611 1.00 . A A . 2 VAL HB 1 1 16 6371 1 1 2 VAL HG11 H 3.057 0.383 -1.959 1.00 . A A . 2 VAL HG11 1 1 16 6372 1 1 2 VAL HG12 H 2.375 -0.846 -3.023 1.00 . A A . 2 VAL HG12 1 1 16 6373 1 1 2 VAL HG13 H 3.036 -1.307 -1.454 1.00 . A A . 2 VAL HG13 1 1 16 6374 1 1 2 VAL HG21 H -0.828 -0.370 -2.213 1.00 . A A . 2 VAL HG21 1 1 16 6375 1 1 2 VAL HG22 H 0.470 -0.124 -3.381 1.00 . A A . 2 VAL HG22 1 1 16 6376 1 1 2 VAL HG23 H -0.019 1.194 -2.316 1.00 . A A . 2 VAL HG23 1 1 16 6377 1 1 2 VAL N N 1.446 -1.882 0.538 1.00 . A A . 2 VAL N 1 1 16 6378 1 1 2 VAL O O -0.257 -3.064 -2.340 1.00 . A A . 2 VAL O 1 1 16 6379 1 1 3 ARG C C 1.046 -5.727 -2.210 1.00 . A A . 3 ARG C 1 1 16 6380 1 1 3 ARG CA C 2.032 -4.613 -2.545 1.00 . A A . 3 ARG CA 1 1 16 6381 1 1 3 ARG CB C 3.466 -5.137 -2.444 1.00 . A A . 3 ARG CB 1 1 16 6382 1 1 3 ARG CD C 5.216 -6.388 -3.743 1.00 . A A . 3 ARG CD 1 1 16 6383 1 1 3 ARG CG C 3.747 -6.319 -3.358 1.00 . A A . 3 ARG CG 1 1 16 6384 1 1 3 ARG CZ C 6.635 -5.584 -5.590 1.00 . A A . 3 ARG CZ 1 1 16 6385 1 1 3 ARG H H 2.582 -3.202 -1.066 1.00 . A A . 3 ARG H 1 1 16 6386 1 1 3 ARG HA H 1.851 -4.279 -3.556 1.00 . A A . 3 ARG HA 1 1 16 6387 1 1 3 ARG HB2 H 4.148 -4.340 -2.702 1.00 . A A . 3 ARG HB2 1 1 16 6388 1 1 3 ARG HB3 H 3.654 -5.444 -1.426 1.00 . A A . 3 ARG HB3 1 1 16 6389 1 1 3 ARG HD2 H 5.813 -6.118 -2.885 1.00 . A A . 3 ARG HD2 1 1 16 6390 1 1 3 ARG HD3 H 5.450 -7.400 -4.039 1.00 . A A . 3 ARG HD3 1 1 16 6391 1 1 3 ARG HE H 4.899 -4.766 -5.041 1.00 . A A . 3 ARG HE 1 1 16 6392 1 1 3 ARG HG2 H 3.477 -7.230 -2.845 1.00 . A A . 3 ARG HG2 1 1 16 6393 1 1 3 ARG HG3 H 3.153 -6.218 -4.254 1.00 . A A . 3 ARG HG3 1 1 16 6394 1 1 3 ARG HH11 H 7.366 -7.197 -4.614 1.00 . A A . 3 ARG HH11 1 1 16 6395 1 1 3 ARG HH12 H 8.344 -6.613 -5.918 1.00 . A A . 3 ARG HH12 1 1 16 6396 1 1 3 ARG HH21 H 6.184 -3.996 -6.757 1.00 . A A . 3 ARG HH21 1 1 16 6397 1 1 3 ARG HH22 H 7.674 -4.795 -7.134 1.00 . A A . 3 ARG HH22 1 1 16 6398 1 1 3 ARG N N 1.848 -3.471 -1.657 1.00 . A A . 3 ARG N 1 1 16 6399 1 1 3 ARG NE N 5.536 -5.484 -4.846 1.00 . A A . 3 ARG NE 1 1 16 6400 1 1 3 ARG NH1 N 7.521 -6.543 -5.354 1.00 . A A . 3 ARG NH1 1 1 16 6401 1 1 3 ARG NH2 N 6.848 -4.721 -6.574 1.00 . A A . 3 ARG NH2 1 1 16 6402 1 1 3 ARG O O 0.650 -6.501 -3.082 1.00 . A A . 3 ARG O 1 1 16 6403 1 1 4 ALA C C -1.721 -6.299 -0.472 1.00 . A A . 4 ALA C 1 1 16 6404 1 1 4 ALA CA C -0.287 -6.825 -0.496 1.00 . A A . 4 ALA CA 1 1 16 6405 1 1 4 ALA CB C 0.110 -7.341 0.878 1.00 . A A . 4 ALA CB 1 1 16 6406 1 1 4 ALA H H 1.003 -5.159 -0.293 1.00 . A A . 4 ALA H 1 1 16 6407 1 1 4 ALA HA H -0.233 -7.648 -1.191 1.00 . A A . 4 ALA HA 1 1 16 6408 1 1 4 ALA HB1 H -0.185 -8.375 0.973 1.00 . A A . 4 ALA HB1 1 1 16 6409 1 1 4 ALA HB2 H -0.384 -6.754 1.639 1.00 . A A . 4 ALA HB2 1 1 16 6410 1 1 4 ALA HB3 H 1.180 -7.259 0.998 1.00 . A A . 4 ALA HB3 1 1 16 6411 1 1 4 ALA N N 0.653 -5.803 -0.943 1.00 . A A . 4 ALA N 1 1 16 6412 1 1 4 ALA O O -2.646 -7.019 -0.096 1.00 . A A . 4 ALA O 1 1 16 6413 1 1 5 CYS C C -4.047 -4.965 -2.072 1.00 . A A . 5 CYS C 1 1 16 6414 1 1 5 CYS CA C -3.228 -4.439 -0.900 1.00 . A A . 5 CYS CA 1 1 16 6415 1 1 5 CYS CB C -3.123 -2.919 -0.999 1.00 . A A . 5 CYS CB 1 1 16 6416 1 1 5 CYS H H -1.133 -4.520 -1.168 1.00 . A A . 5 CYS H 1 1 16 6417 1 1 5 CYS HA H -3.726 -4.694 0.023 1.00 . A A . 5 CYS HA 1 1 16 6418 1 1 5 CYS HB2 H -2.374 -2.570 -0.310 1.00 . A A . 5 CYS HB2 1 1 16 6419 1 1 5 CYS HB3 H -2.836 -2.648 -2.003 1.00 . A A . 5 CYS HB3 1 1 16 6420 1 1 5 CYS N N -1.903 -5.046 -0.877 1.00 . A A . 5 CYS N 1 1 16 6421 1 1 5 CYS O O -3.498 -5.493 -3.039 1.00 . A A . 5 CYS O 1 1 16 6422 1 1 5 CYS SG S -4.675 -2.053 -0.612 1.00 . A A . 5 CYS SG 1 1 16 6423 1 1 6 SER C C -7.011 -4.074 -3.654 1.00 . A A . 6 SER C 1 1 16 6424 1 1 6 SER CA C -6.257 -5.254 -3.044 1.00 . A A . 6 SER CA 1 1 16 6425 1 1 6 SER CB C -7.250 -6.284 -2.501 1.00 . A A . 6 SER CB 1 1 16 6426 1 1 6 SER H H -5.741 -4.373 -1.193 1.00 . A A . 6 SER H 1 1 16 6427 1 1 6 SER HA H -5.656 -5.718 -3.812 1.00 . A A . 6 SER HA 1 1 16 6428 1 1 6 SER HB2 H -8.124 -6.306 -3.135 1.00 . A A . 6 SER HB2 1 1 16 6429 1 1 6 SER HB3 H -6.786 -7.259 -2.493 1.00 . A A . 6 SER HB3 1 1 16 6430 1 1 6 SER HG H -8.473 -5.462 -1.210 1.00 . A A . 6 SER HG 1 1 16 6431 1 1 6 SER N N -5.363 -4.807 -1.985 1.00 . A A . 6 SER N 1 1 16 6432 1 1 6 SER O O -8.038 -4.256 -4.308 1.00 . A A . 6 SER O 1 1 16 6433 1 1 6 SER OG O -7.652 -5.958 -1.182 1.00 . A A . 6 SER OG 1 1 16 6434 1 1 7 LEU C C -6.356 -1.108 -5.162 1.00 . A A . 7 LEU C 1 1 16 6435 1 1 7 LEU CA C -7.134 -1.661 -3.970 1.00 . A A . 7 LEU CA 1 1 16 6436 1 1 7 LEU CB C -7.245 -0.588 -2.884 1.00 . A A . 7 LEU CB 1 1 16 6437 1 1 7 LEU CD1 C -7.448 -0.537 -0.380 1.00 . A A . 7 LEU CD1 1 1 16 6438 1 1 7 LEU CD2 C -9.496 -0.349 -1.807 1.00 . A A . 7 LEU CD2 1 1 16 6439 1 1 7 LEU CG C -8.112 -0.969 -1.681 1.00 . A A . 7 LEU CG 1 1 16 6440 1 1 7 LEU H H -5.676 -2.774 -2.908 1.00 . A A . 7 LEU H 1 1 16 6441 1 1 7 LEU HA H -8.127 -1.932 -4.297 1.00 . A A . 7 LEU HA 1 1 16 6442 1 1 7 LEU HB2 H -6.250 -0.359 -2.531 1.00 . A A . 7 LEU HB2 1 1 16 6443 1 1 7 LEU HB3 H -7.661 0.301 -3.331 1.00 . A A . 7 LEU HB3 1 1 16 6444 1 1 7 LEU HD11 H -7.150 -1.412 0.179 1.00 . A A . 7 LEU HD11 1 1 16 6445 1 1 7 LEU HD12 H -8.145 0.044 0.206 1.00 . A A . 7 LEU HD12 1 1 16 6446 1 1 7 LEU HD13 H -6.577 0.063 -0.601 1.00 . A A . 7 LEU HD13 1 1 16 6447 1 1 7 LEU HD21 H -9.427 0.718 -1.653 1.00 . A A . 7 LEU HD21 1 1 16 6448 1 1 7 LEU HD22 H -10.152 -0.778 -1.063 1.00 . A A . 7 LEU HD22 1 1 16 6449 1 1 7 LEU HD23 H -9.891 -0.546 -2.792 1.00 . A A . 7 LEU HD23 1 1 16 6450 1 1 7 LEU HG H -8.227 -2.043 -1.655 1.00 . A A . 7 LEU HG 1 1 16 6451 1 1 7 LEU N N -6.499 -2.863 -3.437 1.00 . A A . 7 LEU N 1 1 16 6452 1 1 7 LEU O O -5.128 -1.177 -5.198 1.00 . A A . 7 LEU O 1 1 16 6453 1 1 8 PRO C C -5.867 1.423 -7.092 1.00 . A A . 8 PRO C 1 1 16 6454 1 1 8 PRO CA C -6.437 0.029 -7.347 1.00 . A A . 8 PRO CA 1 1 16 6455 1 1 8 PRO CB C -7.594 0.099 -8.340 1.00 . A A . 8 PRO CB 1 1 16 6456 1 1 8 PRO CD C -8.536 -0.413 -6.193 1.00 . A A . 8 PRO CD 1 1 16 6457 1 1 8 PRO CG C -8.802 0.306 -7.492 1.00 . A A . 8 PRO CG 1 1 16 6458 1 1 8 PRO HA H -5.661 -0.613 -7.736 1.00 . A A . 8 PRO HA 1 1 16 6459 1 1 8 PRO HB2 H -7.440 0.925 -9.020 1.00 . A A . 8 PRO HB2 1 1 16 6460 1 1 8 PRO HB3 H -7.655 -0.825 -8.894 1.00 . A A . 8 PRO HB3 1 1 16 6461 1 1 8 PRO HD2 H -8.891 0.175 -5.359 1.00 . A A . 8 PRO HD2 1 1 16 6462 1 1 8 PRO HD3 H -9.008 -1.385 -6.198 1.00 . A A . 8 PRO HD3 1 1 16 6463 1 1 8 PRO HG2 H -8.947 1.361 -7.312 1.00 . A A . 8 PRO HG2 1 1 16 6464 1 1 8 PRO HG3 H -9.668 -0.114 -7.981 1.00 . A A . 8 PRO HG3 1 1 16 6465 1 1 8 PRO N N -7.065 -0.543 -6.156 1.00 . A A . 8 PRO N 1 1 16 6466 1 1 8 PRO O O -5.157 1.977 -7.931 1.00 . A A . 8 PRO O 1 1 16 6467 1 1 9 HIS C C -4.274 3.240 -5.035 1.00 . A A . 9 HIS C 1 1 16 6468 1 1 9 HIS CA C -5.701 3.311 -5.558 1.00 . A A . 9 HIS CA 1 1 16 6469 1 1 9 HIS CB C -6.603 3.923 -4.486 1.00 . A A . 9 HIS CB 1 1 16 6470 1 1 9 HIS CD2 C -5.345 6.045 -3.691 1.00 . A A . 9 HIS CD2 1 1 16 6471 1 1 9 HIS CE1 C -6.786 7.549 -4.376 1.00 . A A . 9 HIS CE1 1 1 16 6472 1 1 9 HIS CG C -6.373 5.387 -4.279 1.00 . A A . 9 HIS CG 1 1 16 6473 1 1 9 HIS H H -6.749 1.494 -5.298 1.00 . A A . 9 HIS H 1 1 16 6474 1 1 9 HIS HA H -5.723 3.934 -6.439 1.00 . A A . 9 HIS HA 1 1 16 6475 1 1 9 HIS HB2 H -7.635 3.783 -4.767 1.00 . A A . 9 HIS HB2 1 1 16 6476 1 1 9 HIS HB3 H -6.419 3.423 -3.544 1.00 . A A . 9 HIS HB3 1 1 16 6477 1 1 9 HIS HD1 H -8.107 6.198 -5.160 1.00 . A A . 9 HIS HD1 1 1 16 6478 1 1 9 HIS HD2 H -4.467 5.595 -3.247 1.00 . A A . 9 HIS HD2 1 1 16 6479 1 1 9 HIS HE1 H -7.267 8.495 -4.577 1.00 . A A . 9 HIS HE1 1 1 16 6480 1 1 9 HIS HE2 H -5.106 8.101 -3.343 1.00 . A A . 9 HIS HE2 1 1 16 6481 1 1 9 HIS N N -6.182 1.985 -5.927 1.00 . A A . 9 HIS N 1 1 16 6482 1 1 9 HIS ND1 N -7.259 6.358 -4.697 1.00 . A A . 9 HIS ND1 1 1 16 6483 1 1 9 HIS NE2 N -5.627 7.387 -3.764 1.00 . A A . 9 HIS NE2 1 1 16 6484 1 1 9 HIS O O -3.385 3.945 -5.511 1.00 . A A . 9 HIS O 1 1 16 6485 1 1 10 CYS C C -1.758 1.676 -4.458 1.00 . A A . 10 CYS C 1 1 16 6486 1 1 10 CYS CA C -2.761 2.204 -3.438 1.00 . A A . 10 CYS CA 1 1 16 6487 1 1 10 CYS CB C -2.856 1.248 -2.248 1.00 . A A . 10 CYS CB 1 1 16 6488 1 1 10 CYS H H -4.826 1.852 -3.715 1.00 . A A . 10 CYS H 1 1 16 6489 1 1 10 CYS HA H -2.425 3.169 -3.088 1.00 . A A . 10 CYS HA 1 1 16 6490 1 1 10 CYS HB2 H -2.889 0.234 -2.615 1.00 . A A . 10 CYS HB2 1 1 16 6491 1 1 10 CYS HB3 H -1.981 1.371 -1.626 1.00 . A A . 10 CYS HB3 1 1 16 6492 1 1 10 CYS N N -4.072 2.381 -4.046 1.00 . A A . 10 CYS N 1 1 16 6493 1 1 10 CYS O O -0.559 1.936 -4.355 1.00 . A A . 10 CYS O 1 1 16 6494 1 1 10 CYS SG S -4.326 1.503 -1.198 1.00 . A A . 10 CYS SG 1 1 16 6495 1 1 11 ARG C C -0.896 1.481 -7.413 1.00 . A A . 11 ARG C 1 1 16 6496 1 1 11 ARG CA C -1.399 0.381 -6.485 1.00 . A A . 11 ARG CA 1 1 16 6497 1 1 11 ARG CB C -2.157 -0.677 -7.290 1.00 . A A . 11 ARG CB 1 1 16 6498 1 1 11 ARG CD C -2.045 -2.701 -8.777 1.00 . A A . 11 ARG CD 1 1 16 6499 1 1 11 ARG CG C -1.254 -1.724 -7.922 1.00 . A A . 11 ARG CG 1 1 16 6500 1 1 11 ARG CZ C -0.393 -4.522 -8.934 1.00 . A A . 11 ARG CZ 1 1 16 6501 1 1 11 ARG H H -3.221 0.768 -5.478 1.00 . A A . 11 ARG H 1 1 16 6502 1 1 11 ARG HA H -0.551 -0.084 -6.004 1.00 . A A . 11 ARG HA 1 1 16 6503 1 1 11 ARG HB2 H -2.852 -1.181 -6.634 1.00 . A A . 11 ARG HB2 1 1 16 6504 1 1 11 ARG HB3 H -2.710 -0.186 -8.077 1.00 . A A . 11 ARG HB3 1 1 16 6505 1 1 11 ARG HD2 H -3.089 -2.631 -8.510 1.00 . A A . 11 ARG HD2 1 1 16 6506 1 1 11 ARG HD3 H -1.922 -2.431 -9.816 1.00 . A A . 11 ARG HD3 1 1 16 6507 1 1 11 ARG HE H -2.233 -4.708 -8.183 1.00 . A A . 11 ARG HE 1 1 16 6508 1 1 11 ARG HG2 H -0.524 -1.227 -8.543 1.00 . A A . 11 ARG HG2 1 1 16 6509 1 1 11 ARG HG3 H -0.751 -2.271 -7.138 1.00 . A A . 11 ARG HG3 1 1 16 6510 1 1 11 ARG HH11 H 0.253 -2.742 -9.644 1.00 . A A . 11 ARG HH11 1 1 16 6511 1 1 11 ARG HH12 H 1.396 -4.039 -9.742 1.00 . A A . 11 ARG HH12 1 1 16 6512 1 1 11 ARG HH21 H -0.731 -6.415 -8.311 1.00 . A A . 11 ARG HH21 1 1 16 6513 1 1 11 ARG HH22 H 0.837 -6.125 -8.986 1.00 . A A . 11 ARG HH22 1 1 16 6514 1 1 11 ARG N N -2.255 0.938 -5.445 1.00 . A A . 11 ARG N 1 1 16 6515 1 1 11 ARG NE N -1.600 -4.079 -8.588 1.00 . A A . 11 ARG NE 1 1 16 6516 1 1 11 ARG NH1 N 0.491 -3.700 -9.486 1.00 . A A . 11 ARG NH1 1 1 16 6517 1 1 11 ARG NH2 N -0.069 -5.791 -8.726 1.00 . A A . 11 ARG NH2 1 1 16 6518 1 1 11 ARG O O -1.484 1.739 -8.464 1.00 . A A . 11 ARG O 1 1 16 6519 1 1 12 THR C C 2.240 2.931 -8.124 1.00 . A A . 12 THR C 1 1 16 6520 1 1 12 THR CA C 0.772 3.210 -7.808 1.00 . A A . 12 THR CA 1 1 16 6521 1 1 12 THR CB C 0.638 4.540 -7.062 1.00 . A A . 12 THR CB 1 1 16 6522 1 1 12 THR CG2 C 1.240 5.712 -7.808 1.00 . A A . 12 THR CG2 1 1 16 6523 1 1 12 THR H H 0.614 1.883 -6.166 1.00 . A A . 12 THR H 1 1 16 6524 1 1 12 THR HA H 0.222 3.272 -8.735 1.00 . A A . 12 THR HA 1 1 16 6525 1 1 12 THR HB H 1.144 4.458 -6.110 1.00 . A A . 12 THR HB 1 1 16 6526 1 1 12 THR HG1 H -0.808 5.278 -5.966 1.00 . A A . 12 THR HG1 1 1 16 6527 1 1 12 THR HG21 H 0.478 6.457 -7.981 1.00 . A A . 12 THR HG21 1 1 16 6528 1 1 12 THR HG22 H 1.633 5.372 -8.755 1.00 . A A . 12 THR HG22 1 1 16 6529 1 1 12 THR HG23 H 2.037 6.142 -7.220 1.00 . A A . 12 THR HG23 1 1 16 6530 1 1 12 THR N N 0.193 2.132 -7.015 1.00 . A A . 12 THR N 1 1 16 6531 1 1 12 THR O O 2.572 2.478 -9.220 1.00 . A A . 12 THR O 1 1 16 6532 1 1 12 THR OG1 O -0.724 4.841 -6.817 1.00 . A A . 12 THR OG1 1 1 16 6533 1 1 13 MET C C 5.126 2.195 -6.164 1.00 . A A . 13 MET C 1 1 16 6534 1 1 13 MET CA C 4.543 2.979 -7.337 1.00 . A A . 13 MET CA 1 1 16 6535 1 1 13 MET CB C 5.274 4.314 -7.485 1.00 . A A . 13 MET CB 1 1 16 6536 1 1 13 MET CE C 4.974 7.488 -10.116 1.00 . A A . 13 MET CE 1 1 16 6537 1 1 13 MET CG C 4.682 5.216 -8.556 1.00 . A A . 13 MET CG 1 1 16 6538 1 1 13 MET H H 2.790 3.560 -6.307 1.00 . A A . 13 MET H 1 1 16 6539 1 1 13 MET HA H 4.678 2.404 -8.240 1.00 . A A . 13 MET HA 1 1 16 6540 1 1 13 MET HB2 H 5.237 4.839 -6.542 1.00 . A A . 13 MET HB2 1 1 16 6541 1 1 13 MET HB3 H 6.306 4.121 -7.739 1.00 . A A . 13 MET HB3 1 1 16 6542 1 1 13 MET HE1 H 5.646 6.992 -10.801 1.00 . A A . 13 MET HE1 1 1 16 6543 1 1 13 MET HE2 H 5.135 8.555 -10.164 1.00 . A A . 13 MET HE2 1 1 16 6544 1 1 13 MET HE3 H 3.953 7.265 -10.388 1.00 . A A . 13 MET HE3 1 1 16 6545 1 1 13 MET HG2 H 4.939 4.818 -9.526 1.00 . A A . 13 MET HG2 1 1 16 6546 1 1 13 MET HG3 H 3.607 5.226 -8.445 1.00 . A A . 13 MET HG3 1 1 16 6547 1 1 13 MET N N 3.114 3.202 -7.159 1.00 . A A . 13 MET N 1 1 16 6548 1 1 13 MET O O 6.340 2.168 -5.972 1.00 . A A . 13 MET O 1 1 16 6549 1 1 13 MET SD S 5.288 6.911 -8.450 1.00 . A A . 13 MET SD 1 1 16 6550 1 1 14 LYS C C 4.907 1.655 -3.003 1.00 . A A . 14 LYS C 1 1 16 6551 1 1 14 LYS CA C 4.661 0.766 -4.224 1.00 . A A . 14 LYS CA 1 1 16 6552 1 1 14 LYS CB C 5.907 -0.079 -4.553 1.00 . A A . 14 LYS CB 1 1 16 6553 1 1 14 LYS CD C 8.400 0.042 -4.874 1.00 . A A . 14 LYS CD 1 1 16 6554 1 1 14 LYS CE C 9.610 -0.276 -4.011 1.00 . A A . 14 LYS CE 1 1 16 6555 1 1 14 LYS CG C 7.218 0.493 -4.030 1.00 . A A . 14 LYS CG 1 1 16 6556 1 1 14 LYS H H 3.294 1.622 -5.592 1.00 . A A . 14 LYS H 1 1 16 6557 1 1 14 LYS HA H 3.847 0.095 -3.992 1.00 . A A . 14 LYS HA 1 1 16 6558 1 1 14 LYS HB2 H 5.779 -1.062 -4.128 1.00 . A A . 14 LYS HB2 1 1 16 6559 1 1 14 LYS HB3 H 5.985 -0.172 -5.627 1.00 . A A . 14 LYS HB3 1 1 16 6560 1 1 14 LYS HD2 H 8.120 -0.844 -5.423 1.00 . A A . 14 LYS HD2 1 1 16 6561 1 1 14 LYS HD3 H 8.658 0.830 -5.565 1.00 . A A . 14 LYS HD3 1 1 16 6562 1 1 14 LYS HE2 H 9.269 -0.627 -3.049 1.00 . A A . 14 LYS HE2 1 1 16 6563 1 1 14 LYS HE3 H 10.186 -1.053 -4.493 1.00 . A A . 14 LYS HE3 1 1 16 6564 1 1 14 LYS HG2 H 7.165 1.571 -4.050 1.00 . A A . 14 LYS HG2 1 1 16 6565 1 1 14 LYS HG3 H 7.363 0.158 -3.015 1.00 . A A . 14 LYS HG3 1 1 16 6566 1 1 14 LYS HZ1 H 11.195 0.968 -4.563 1.00 . A A . 14 LYS HZ1 1 1 16 6567 1 1 14 LYS HZ2 H 10.961 0.858 -2.892 1.00 . A A . 14 LYS HZ2 1 1 16 6568 1 1 14 LYS HZ3 H 9.905 1.785 -3.834 1.00 . A A . 14 LYS HZ3 1 1 16 6569 1 1 14 LYS N N 4.249 1.558 -5.384 1.00 . A A . 14 LYS N 1 1 16 6570 1 1 14 LYS NZ N 10.479 0.917 -3.811 1.00 . A A . 14 LYS NZ 1 1 16 6571 1 1 14 LYS O O 5.569 1.245 -2.049 1.00 . A A . 14 LYS O 1 1 16 6572 1 1 15 ASN C C 3.781 3.300 -0.692 1.00 . A A . 15 ASN C 1 1 16 6573 1 1 15 ASN CA C 4.517 3.802 -1.931 1.00 . A A . 15 ASN CA 1 1 16 6574 1 1 15 ASN CB C 3.990 5.180 -2.333 1.00 . A A . 15 ASN CB 1 1 16 6575 1 1 15 ASN CG C 2.637 5.112 -3.016 1.00 . A A . 15 ASN CG 1 1 16 6576 1 1 15 ASN H H 3.840 3.141 -3.813 1.00 . A A . 15 ASN H 1 1 16 6577 1 1 15 ASN HA H 5.570 3.880 -1.705 1.00 . A A . 15 ASN HA 1 1 16 6578 1 1 15 ASN HB2 H 3.893 5.787 -1.453 1.00 . A A . 15 ASN HB2 1 1 16 6579 1 1 15 ASN HB3 H 4.692 5.644 -3.011 1.00 . A A . 15 ASN HB3 1 1 16 6580 1 1 15 ASN HD21 H 3.318 6.209 -4.528 1.00 . A A . 15 ASN HD21 1 1 16 6581 1 1 15 ASN HD22 H 1.666 5.715 -4.643 1.00 . A A . 15 ASN HD22 1 1 16 6582 1 1 15 ASN N N 4.363 2.868 -3.034 1.00 . A A . 15 ASN N 1 1 16 6583 1 1 15 ASN ND2 N 2.529 5.742 -4.180 1.00 . A A . 15 ASN ND2 1 1 16 6584 1 1 15 ASN O O 2.712 3.802 -0.345 1.00 . A A . 15 ASN O 1 1 16 6585 1 1 15 ASN OD1 O 1.700 4.501 -2.503 1.00 . A A . 15 ASN OD1 1 1 16 6586 1 1 16 VAL C C 3.406 2.794 2.189 1.00 . A A . 16 VAL C 1 1 16 6587 1 1 16 VAL CA C 3.763 1.721 1.165 1.00 . A A . 16 VAL CA 1 1 16 6588 1 1 16 VAL CB C 4.704 0.697 1.823 1.00 . A A . 16 VAL CB 1 1 16 6589 1 1 16 VAL CG1 C 3.989 -0.047 2.940 1.00 . A A . 16 VAL CG1 1 1 16 6590 1 1 16 VAL CG2 C 5.246 -0.275 0.786 1.00 . A A . 16 VAL CG2 1 1 16 6591 1 1 16 VAL H H 5.210 1.943 -0.364 1.00 . A A . 16 VAL H 1 1 16 6592 1 1 16 VAL HA H 2.861 1.208 0.871 1.00 . A A . 16 VAL HA 1 1 16 6593 1 1 16 VAL HB H 5.535 1.231 2.253 1.00 . A A . 16 VAL HB 1 1 16 6594 1 1 16 VAL HG11 H 2.944 -0.155 2.689 1.00 . A A . 16 VAL HG11 1 1 16 6595 1 1 16 VAL HG12 H 4.083 0.509 3.861 1.00 . A A . 16 VAL HG12 1 1 16 6596 1 1 16 VAL HG13 H 4.432 -1.024 3.062 1.00 . A A . 16 VAL HG13 1 1 16 6597 1 1 16 VAL HG21 H 5.475 -1.217 1.260 1.00 . A A . 16 VAL HG21 1 1 16 6598 1 1 16 VAL HG22 H 6.143 0.133 0.344 1.00 . A A . 16 VAL HG22 1 1 16 6599 1 1 16 VAL HG23 H 4.505 -0.430 0.016 1.00 . A A . 16 VAL HG23 1 1 16 6600 1 1 16 VAL N N 4.361 2.301 -0.033 1.00 . A A . 16 VAL N 1 1 16 6601 1 1 16 VAL O O 2.440 2.650 2.939 1.00 . A A . 16 VAL O 1 1 16 6602 1 1 17 LEU C C 2.543 5.530 2.955 1.00 . A A . 17 LEU C 1 1 16 6603 1 1 17 LEU CA C 3.940 4.961 3.152 1.00 . A A . 17 LEU CA 1 1 16 6604 1 1 17 LEU CB C 4.987 6.063 2.976 1.00 . A A . 17 LEU CB 1 1 16 6605 1 1 17 LEU CD1 C 7.448 6.526 3.090 1.00 . A A . 17 LEU CD1 1 1 16 6606 1 1 17 LEU CD2 C 6.092 6.458 5.190 1.00 . A A . 17 LEU CD2 1 1 16 6607 1 1 17 LEU CG C 6.266 5.879 3.794 1.00 . A A . 17 LEU CG 1 1 16 6608 1 1 17 LEU H H 4.941 3.932 1.594 1.00 . A A . 17 LEU H 1 1 16 6609 1 1 17 LEU HA H 4.012 4.563 4.147 1.00 . A A . 17 LEU HA 1 1 16 6610 1 1 17 LEU HB2 H 5.256 6.111 1.931 1.00 . A A . 17 LEU HB2 1 1 16 6611 1 1 17 LEU HB3 H 4.539 7.004 3.258 1.00 . A A . 17 LEU HB3 1 1 16 6612 1 1 17 LEU HD11 H 8.229 6.728 3.809 1.00 . A A . 17 LEU HD11 1 1 16 6613 1 1 17 LEU HD12 H 7.132 7.452 2.632 1.00 . A A . 17 LEU HD12 1 1 16 6614 1 1 17 LEU HD13 H 7.823 5.858 2.329 1.00 . A A . 17 LEU HD13 1 1 16 6615 1 1 17 LEU HD21 H 6.455 7.475 5.206 1.00 . A A . 17 LEU HD21 1 1 16 6616 1 1 17 LEU HD22 H 6.651 5.865 5.899 1.00 . A A . 17 LEU HD22 1 1 16 6617 1 1 17 LEU HD23 H 5.045 6.446 5.458 1.00 . A A . 17 LEU HD23 1 1 16 6618 1 1 17 LEU HG H 6.473 4.823 3.893 1.00 . A A . 17 LEU HG 1 1 16 6619 1 1 17 LEU N N 4.186 3.870 2.216 1.00 . A A . 17 LEU N 1 1 16 6620 1 1 17 LEU O O 1.876 5.926 3.911 1.00 . A A . 17 LEU O 1 1 16 6621 1 1 18 ASN C C -0.288 5.045 1.732 1.00 . A A . 18 ASN C 1 1 16 6622 1 1 18 ASN CA C 0.784 6.060 1.362 1.00 . A A . 18 ASN CA 1 1 16 6623 1 1 18 ASN CB C 0.707 6.385 -0.130 1.00 . A A . 18 ASN CB 1 1 16 6624 1 1 18 ASN CG C -0.145 7.608 -0.412 1.00 . A A . 18 ASN CG 1 1 16 6625 1 1 18 ASN H H 2.689 5.214 0.997 1.00 . A A . 18 ASN H 1 1 16 6626 1 1 18 ASN HA H 0.617 6.960 1.929 1.00 . A A . 18 ASN HA 1 1 16 6627 1 1 18 ASN HB2 H 1.702 6.570 -0.505 1.00 . A A . 18 ASN HB2 1 1 16 6628 1 1 18 ASN HB3 H 0.279 5.543 -0.655 1.00 . A A . 18 ASN HB3 1 1 16 6629 1 1 18 ASN HD21 H 1.197 8.272 -1.720 1.00 . A A . 18 ASN HD21 1 1 16 6630 1 1 18 ASN HD22 H -0.196 9.270 -1.502 1.00 . A A . 18 ASN HD22 1 1 16 6631 1 1 18 ASN N N 2.107 5.555 1.705 1.00 . A A . 18 ASN N 1 1 16 6632 1 1 18 ASN ND2 N 0.334 8.470 -1.301 1.00 . A A . 18 ASN ND2 1 1 16 6633 1 1 18 ASN O O -1.363 5.404 2.212 1.00 . A A . 18 ASN O 1 1 16 6634 1 1 18 ASN OD1 O -1.220 7.776 0.163 1.00 . A A . 18 ASN OD1 1 1 16 6635 1 1 19 HIS C C -0.959 2.431 3.318 1.00 . A A . 19 HIS C 1 1 16 6636 1 1 19 HIS CA C -0.912 2.695 1.814 1.00 . A A . 19 HIS CA 1 1 16 6637 1 1 19 HIS CB C -0.520 1.422 1.052 1.00 . A A . 19 HIS CB 1 1 16 6638 1 1 19 HIS CD2 C -0.565 -0.749 2.451 1.00 . A A . 19 HIS CD2 1 1 16 6639 1 1 19 HIS CE1 C -2.598 -1.353 1.968 1.00 . A A . 19 HIS CE1 1 1 16 6640 1 1 19 HIS CG C -1.116 0.163 1.611 1.00 . A A . 19 HIS CG 1 1 16 6641 1 1 19 HIS H H 0.893 3.557 1.124 1.00 . A A . 19 HIS H 1 1 16 6642 1 1 19 HIS HA H -1.891 3.008 1.490 1.00 . A A . 19 HIS HA 1 1 16 6643 1 1 19 HIS HB2 H -0.842 1.513 0.028 1.00 . A A . 19 HIS HB2 1 1 16 6644 1 1 19 HIS HB3 H 0.555 1.319 1.075 1.00 . A A . 19 HIS HB3 1 1 16 6645 1 1 19 HIS HD2 H 0.424 -0.719 2.876 1.00 . A A . 19 HIS HD2 1 1 16 6646 1 1 19 HIS HE1 H -3.529 -1.899 1.959 1.00 . A A . 19 HIS HE1 1 1 16 6647 1 1 19 HIS HE2 H -1.360 -2.586 3.085 1.00 . A A . 19 HIS HE2 1 1 16 6648 1 1 19 HIS N N 0.018 3.774 1.506 1.00 . A A . 19 HIS N 1 1 16 6649 1 1 19 HIS ND1 N -2.399 -0.230 1.312 1.00 . A A . 19 HIS ND1 1 1 16 6650 1 1 19 HIS NE2 N -1.515 -1.711 2.672 1.00 . A A . 19 HIS NE2 1 1 16 6651 1 1 19 HIS O O -1.920 1.857 3.824 1.00 . A A . 19 HIS O 1 1 16 6652 1 1 20 MET C C -0.477 3.840 6.218 1.00 . A A . 20 MET C 1 1 16 6653 1 1 20 MET CA C 0.138 2.658 5.473 1.00 . A A . 20 MET CA 1 1 16 6654 1 1 20 MET CB C 1.585 2.451 5.924 1.00 . A A . 20 MET CB 1 1 16 6655 1 1 20 MET CE C 3.018 -0.301 8.109 1.00 . A A . 20 MET CE 1 1 16 6656 1 1 20 MET CG C 2.039 1.002 5.867 1.00 . A A . 20 MET CG 1 1 16 6657 1 1 20 MET H H 0.821 3.308 3.576 1.00 . A A . 20 MET H 1 1 16 6658 1 1 20 MET HA H -0.432 1.772 5.705 1.00 . A A . 20 MET HA 1 1 16 6659 1 1 20 MET HB2 H 2.235 3.035 5.290 1.00 . A A . 20 MET HB2 1 1 16 6660 1 1 20 MET HB3 H 1.685 2.797 6.942 1.00 . A A . 20 MET HB3 1 1 16 6661 1 1 20 MET HE1 H 3.128 -1.367 8.245 1.00 . A A . 20 MET HE1 1 1 16 6662 1 1 20 MET HE2 H 3.025 0.187 9.073 1.00 . A A . 20 MET HE2 1 1 16 6663 1 1 20 MET HE3 H 3.836 0.072 7.511 1.00 . A A . 20 MET HE3 1 1 16 6664 1 1 20 MET HG2 H 1.653 0.553 4.964 1.00 . A A . 20 MET HG2 1 1 16 6665 1 1 20 MET HG3 H 3.119 0.978 5.846 1.00 . A A . 20 MET HG3 1 1 16 6666 1 1 20 MET N N 0.080 2.854 4.029 1.00 . A A . 20 MET N 1 1 16 6667 1 1 20 MET O O -0.233 4.027 7.410 1.00 . A A . 20 MET O 1 1 16 6668 1 1 20 MET SD S 1.467 0.038 7.280 1.00 . A A . 20 MET SD 1 1 16 6669 1 1 21 THR C C -3.456 5.655 6.041 1.00 . A A . 21 THR C 1 1 16 6670 1 1 21 THR CA C -1.930 5.787 6.109 1.00 . A A . 21 THR CA 1 1 16 6671 1 1 21 THR CB C -1.453 7.073 5.413 1.00 . A A . 21 THR CB 1 1 16 6672 1 1 21 THR CG2 C -2.565 8.038 5.048 1.00 . A A . 21 THR CG2 1 1 16 6673 1 1 21 THR H H -1.440 4.437 4.574 1.00 . A A . 21 THR H 1 1 16 6674 1 1 21 THR HA H -1.636 5.821 7.142 1.00 . A A . 21 THR HA 1 1 16 6675 1 1 21 THR HB H -0.939 6.802 4.502 1.00 . A A . 21 THR HB 1 1 16 6676 1 1 21 THR HG1 H -0.974 8.014 7.063 1.00 . A A . 21 THR HG1 1 1 16 6677 1 1 21 THR HG21 H -3.080 8.351 5.944 1.00 . A A . 21 THR HG21 1 1 16 6678 1 1 21 THR HG22 H -3.263 7.549 4.384 1.00 . A A . 21 THR HG22 1 1 16 6679 1 1 21 THR HG23 H -2.144 8.902 4.555 1.00 . A A . 21 THR HG23 1 1 16 6680 1 1 21 THR N N -1.280 4.632 5.513 1.00 . A A . 21 THR N 1 1 16 6681 1 1 21 THR O O -4.181 6.489 6.585 1.00 . A A . 21 THR O 1 1 16 6682 1 1 21 THR OG1 O -0.542 7.774 6.240 1.00 . A A . 21 THR OG1 1 1 16 6683 1 1 22 HIS C C -5.757 2.919 5.290 1.00 . A A . 22 HIS C 1 1 16 6684 1 1 22 HIS CA C -5.383 4.397 5.242 1.00 . A A . 22 HIS CA 1 1 16 6685 1 1 22 HIS CB C -5.900 5.004 3.934 1.00 . A A . 22 HIS CB 1 1 16 6686 1 1 22 HIS CD2 C -4.697 3.304 2.349 1.00 . A A . 22 HIS CD2 1 1 16 6687 1 1 22 HIS CE1 C -4.282 4.678 0.696 1.00 . A A . 22 HIS CE1 1 1 16 6688 1 1 22 HIS CG C -5.185 4.527 2.700 1.00 . A A . 22 HIS CG 1 1 16 6689 1 1 22 HIS H H -3.322 3.977 4.953 1.00 . A A . 22 HIS H 1 1 16 6690 1 1 22 HIS HA H -5.862 4.900 6.068 1.00 . A A . 22 HIS HA 1 1 16 6691 1 1 22 HIS HB2 H -6.945 4.757 3.823 1.00 . A A . 22 HIS HB2 1 1 16 6692 1 1 22 HIS HB3 H -5.795 6.078 3.983 1.00 . A A . 22 HIS HB3 1 1 16 6693 1 1 22 HIS HD1 H -5.131 6.312 1.584 1.00 . A A . 22 HIS HD1 1 1 16 6694 1 1 22 HIS HD2 H -4.752 2.390 2.927 1.00 . A A . 22 HIS HD2 1 1 16 6695 1 1 22 HIS HE1 H -3.956 5.069 -0.257 1.00 . A A . 22 HIS HE1 1 1 16 6696 1 1 22 HIS HE2 H -3.516 2.792 0.708 1.00 . A A . 22 HIS HE2 1 1 16 6697 1 1 22 HIS N N -3.942 4.611 5.370 1.00 . A A . 22 HIS N 1 1 16 6698 1 1 22 HIS ND1 N -4.905 5.360 1.638 1.00 . A A . 22 HIS ND1 1 1 16 6699 1 1 22 HIS NE2 N -4.139 3.432 1.103 1.00 . A A . 22 HIS NE2 1 1 16 6700 1 1 22 HIS O O -6.902 2.573 5.578 1.00 . A A . 22 HIS O 1 1 16 6701 1 1 23 CYS C C -4.463 -0.054 6.180 1.00 . A A . 23 CYS C 1 1 16 6702 1 1 23 CYS CA C -5.052 0.631 4.951 1.00 . A A . 23 CYS CA 1 1 16 6703 1 1 23 CYS CB C -4.439 0.067 3.679 1.00 . A A . 23 CYS CB 1 1 16 6704 1 1 23 CYS H H -3.919 2.374 4.727 1.00 . A A . 23 CYS H 1 1 16 6705 1 1 23 CYS HA H -6.119 0.472 4.931 1.00 . A A . 23 CYS HA 1 1 16 6706 1 1 23 CYS HB2 H -3.634 0.714 3.367 1.00 . A A . 23 CYS HB2 1 1 16 6707 1 1 23 CYS HB3 H -4.041 -0.907 3.884 1.00 . A A . 23 CYS HB3 1 1 16 6708 1 1 23 CYS N N -4.805 2.053 4.976 1.00 . A A . 23 CYS N 1 1 16 6709 1 1 23 CYS O O -3.911 0.602 7.064 1.00 . A A . 23 CYS O 1 1 16 6710 1 1 23 CYS SG S -5.597 -0.070 2.277 1.00 . A A . 23 CYS SG 1 1 16 6711 1 1 24 GLN C C -3.731 -3.576 6.920 1.00 . A A . 24 GLN C 1 1 16 6712 1 1 24 GLN CA C -4.061 -2.150 7.350 1.00 . A A . 24 GLN CA 1 1 16 6713 1 1 24 GLN CB C -5.073 -2.172 8.497 1.00 . A A . 24 GLN CB 1 1 16 6714 1 1 24 GLN CD C -7.332 -2.948 9.316 1.00 . A A . 24 GLN CD 1 1 16 6715 1 1 24 GLN CG C -6.391 -2.835 8.133 1.00 . A A . 24 GLN CG 1 1 16 6716 1 1 24 GLN H H -5.032 -1.844 5.494 1.00 . A A . 24 GLN H 1 1 16 6717 1 1 24 GLN HA H -3.155 -1.671 7.690 1.00 . A A . 24 GLN HA 1 1 16 6718 1 1 24 GLN HB2 H -4.643 -2.707 9.331 1.00 . A A . 24 GLN HB2 1 1 16 6719 1 1 24 GLN HB3 H -5.277 -1.156 8.800 1.00 . A A . 24 GLN HB3 1 1 16 6720 1 1 24 GLN HE21 H -8.032 -1.120 8.964 1.00 . A A . 24 GLN HE21 1 1 16 6721 1 1 24 GLN HE22 H -8.728 -1.943 10.314 1.00 . A A . 24 GLN HE22 1 1 16 6722 1 1 24 GLN HG2 H -6.873 -2.251 7.363 1.00 . A A . 24 GLN HG2 1 1 16 6723 1 1 24 GLN HG3 H -6.188 -3.827 7.757 1.00 . A A . 24 GLN HG3 1 1 16 6724 1 1 24 GLN N N -4.582 -1.377 6.229 1.00 . A A . 24 GLN N 1 1 16 6725 1 1 24 GLN NE2 N -8.109 -1.898 9.555 1.00 . A A . 24 GLN NE2 1 1 16 6726 1 1 24 GLN O O -3.864 -3.926 5.747 1.00 . A A . 24 GLN O 1 1 16 6727 1 1 24 GLN OE1 O -7.362 -3.967 10.006 1.00 . A A . 24 GLN OE1 1 1 16 6728 1 1 25 ALA C C -1.508 -5.903 7.118 1.00 . A A . 25 ALA C 1 1 16 6729 1 1 25 ALA CA C -2.942 -5.788 7.621 1.00 . A A . 25 ALA CA 1 1 16 6730 1 1 25 ALA CB C -3.908 -6.426 6.630 1.00 . A A . 25 ALA CB 1 1 16 6731 1 1 25 ALA H H -3.214 -4.045 8.794 1.00 . A A . 25 ALA H 1 1 16 6732 1 1 25 ALA HA H -3.022 -6.325 8.556 1.00 . A A . 25 ALA HA 1 1 16 6733 1 1 25 ALA HB1 H -4.073 -7.458 6.902 1.00 . A A . 25 ALA HB1 1 1 16 6734 1 1 25 ALA HB2 H -3.488 -6.379 5.636 1.00 . A A . 25 ALA HB2 1 1 16 6735 1 1 25 ALA HB3 H -4.848 -5.894 6.649 1.00 . A A . 25 ALA HB3 1 1 16 6736 1 1 25 ALA N N -3.298 -4.392 7.881 1.00 . A A . 25 ALA N 1 1 16 6737 1 1 25 ALA O O -1.270 -6.062 5.921 1.00 . A A . 25 ALA O 1 1 16 6738 1 1 26 GLY C C 1.762 -5.276 8.693 1.00 . A A . 26 GLY C 1 1 16 6739 1 1 26 GLY CA C 0.846 -5.918 7.670 1.00 . A A . 26 GLY CA 1 1 16 6740 1 1 26 GLY H H -0.803 -5.694 8.979 1.00 . A A . 26 GLY H 1 1 16 6741 1 1 26 GLY HA2 H 1.109 -6.961 7.571 1.00 . A A . 26 GLY HA2 1 1 16 6742 1 1 26 GLY HA3 H 0.989 -5.430 6.717 1.00 . A A . 26 GLY HA3 1 1 16 6743 1 1 26 GLY N N -0.554 -5.821 8.040 1.00 . A A . 26 GLY N 1 1 16 6744 1 1 26 GLY O O 2.682 -4.540 8.336 1.00 . A A . 26 GLY O 1 1 16 6745 1 1 27 LYS C C 2.250 -3.474 11.047 1.00 . A A . 27 LYS C 1 1 16 6746 1 1 27 LYS CA C 2.318 -4.998 11.046 1.00 . A A . 27 LYS CA 1 1 16 6747 1 1 27 LYS CB C 3.772 -5.455 10.909 1.00 . A A . 27 LYS CB 1 1 16 6748 1 1 27 LYS CD C 5.455 -6.843 12.155 1.00 . A A . 27 LYS CD 1 1 16 6749 1 1 27 LYS CE C 4.836 -8.151 12.619 1.00 . A A . 27 LYS CE 1 1 16 6750 1 1 27 LYS CG C 4.462 -5.695 12.242 1.00 . A A . 27 LYS CG 1 1 16 6751 1 1 27 LYS H H 0.761 -6.147 10.188 1.00 . A A . 27 LYS H 1 1 16 6752 1 1 27 LYS HA H 1.922 -5.365 11.980 1.00 . A A . 27 LYS HA 1 1 16 6753 1 1 27 LYS HB2 H 3.796 -6.375 10.344 1.00 . A A . 27 LYS HB2 1 1 16 6754 1 1 27 LYS HB3 H 4.326 -4.698 10.373 1.00 . A A . 27 LYS HB3 1 1 16 6755 1 1 27 LYS HD2 H 5.777 -6.952 11.130 1.00 . A A . 27 LYS HD2 1 1 16 6756 1 1 27 LYS HD3 H 6.307 -6.616 12.780 1.00 . A A . 27 LYS HD3 1 1 16 6757 1 1 27 LYS HE2 H 5.081 -8.302 13.659 1.00 . A A . 27 LYS HE2 1 1 16 6758 1 1 27 LYS HE3 H 3.763 -8.087 12.507 1.00 . A A . 27 LYS HE3 1 1 16 6759 1 1 27 LYS HG2 H 4.988 -4.798 12.531 1.00 . A A . 27 LYS HG2 1 1 16 6760 1 1 27 LYS HG3 H 3.715 -5.933 12.985 1.00 . A A . 27 LYS HG3 1 1 16 6761 1 1 27 LYS HZ1 H 5.069 -10.202 12.298 1.00 . A A . 27 LYS HZ1 1 1 16 6762 1 1 27 LYS HZ2 H 6.372 -9.272 11.753 1.00 . A A . 27 LYS HZ2 1 1 16 6763 1 1 27 LYS HZ3 H 4.927 -9.298 10.875 1.00 . A A . 27 LYS HZ3 1 1 16 6764 1 1 27 LYS N N 1.509 -5.554 9.967 1.00 . A A . 27 LYS N 1 1 16 6765 1 1 27 LYS NZ N 5.336 -9.312 11.831 1.00 . A A . 27 LYS NZ 1 1 16 6766 1 1 27 LYS O O 2.942 -2.851 10.215 1.00 . A A . 27 LYS O 1 1 16 6767 1 1 27 LYS OXT O 1.504 -2.917 11.880 1.00 . A A . 27 LYS OXT 1 1 16 6768 2 2 1 ZN ZN ZN -4.193 -0.092 0.446 1.00 . B A . 28 ZN ZN 1 1 17 6769 1 1 1 GLU C C 0.981 -2.791 1.255 1.00 . A A . 1 GLU C 1 1 17 6770 1 1 1 GLU CA C 1.888 -3.012 2.458 1.00 . A A . 1 GLU CA 1 1 17 6771 1 1 1 GLU CB C 2.786 -4.229 2.227 1.00 . A A . 1 GLU CB 1 1 17 6772 1 1 1 GLU CD C 4.866 -5.452 2.974 1.00 . A A . 1 GLU CD 1 1 17 6773 1 1 1 GLU CG C 4.141 -4.122 2.907 1.00 . A A . 1 GLU CG 1 1 17 6774 1 1 1 GLU H1 H 0.392 -3.973 3.494 1.00 . A A . 1 GLU H1 1 1 17 6775 1 1 1 GLU H2 H 0.636 -2.334 3.943 1.00 . A A . 1 GLU H2 1 1 17 6776 1 1 1 GLU H3 H 1.752 -3.539 4.442 1.00 . A A . 1 GLU H3 1 1 17 6777 1 1 1 GLU HA H 2.503 -2.135 2.595 1.00 . A A . 1 GLU HA 1 1 17 6778 1 1 1 GLU HB2 H 2.286 -5.108 2.605 1.00 . A A . 1 GLU HB2 1 1 17 6779 1 1 1 GLU HB3 H 2.948 -4.346 1.166 1.00 . A A . 1 GLU HB3 1 1 17 6780 1 1 1 GLU HG2 H 4.753 -3.424 2.356 1.00 . A A . 1 GLU HG2 1 1 17 6781 1 1 1 GLU HG3 H 3.996 -3.757 3.913 1.00 . A A . 1 GLU HG3 1 1 17 6782 1 1 1 GLU N N 1.096 -3.235 3.696 1.00 . A A . 1 GLU N 1 1 17 6783 1 1 1 GLU O O -0.023 -3.482 1.081 1.00 . A A . 1 GLU O 1 1 17 6784 1 1 1 GLU OE1 O 4.216 -6.467 3.302 1.00 . A A . 1 GLU OE1 1 1 17 6785 1 1 1 GLU OE2 O 6.084 -5.479 2.698 1.00 . A A . 1 GLU OE2 1 1 17 6786 1 1 2 VAL C C 0.583 -2.639 -1.760 1.00 . A A . 2 VAL C 1 1 17 6787 1 1 2 VAL CA C 0.572 -1.489 -0.757 1.00 . A A . 2 VAL CA 1 1 17 6788 1 1 2 VAL CB C 1.114 -0.213 -1.430 1.00 . A A . 2 VAL CB 1 1 17 6789 1 1 2 VAL CG1 C 2.488 -0.461 -2.037 1.00 . A A . 2 VAL CG1 1 1 17 6790 1 1 2 VAL CG2 C 0.140 0.295 -2.482 1.00 . A A . 2 VAL CG2 1 1 17 6791 1 1 2 VAL H H 2.154 -1.302 0.630 1.00 . A A . 2 VAL H 1 1 17 6792 1 1 2 VAL HA H -0.447 -1.302 -0.451 1.00 . A A . 2 VAL HA 1 1 17 6793 1 1 2 VAL HB H 1.218 0.547 -0.669 1.00 . A A . 2 VAL HB 1 1 17 6794 1 1 2 VAL HG11 H 2.950 -1.306 -1.549 1.00 . A A . 2 VAL HG11 1 1 17 6795 1 1 2 VAL HG12 H 3.105 0.415 -1.900 1.00 . A A . 2 VAL HG12 1 1 17 6796 1 1 2 VAL HG13 H 2.384 -0.666 -3.092 1.00 . A A . 2 VAL HG13 1 1 17 6797 1 1 2 VAL HG21 H 0.509 0.047 -3.466 1.00 . A A . 2 VAL HG21 1 1 17 6798 1 1 2 VAL HG22 H 0.042 1.367 -2.394 1.00 . A A . 2 VAL HG22 1 1 17 6799 1 1 2 VAL HG23 H -0.825 -0.167 -2.333 1.00 . A A . 2 VAL HG23 1 1 17 6800 1 1 2 VAL N N 1.344 -1.817 0.431 1.00 . A A . 2 VAL N 1 1 17 6801 1 1 2 VAL O O -0.378 -2.838 -2.503 1.00 . A A . 2 VAL O 1 1 17 6802 1 1 3 ARG C C 0.832 -5.633 -2.326 1.00 . A A . 3 ARG C 1 1 17 6803 1 1 3 ARG CA C 1.814 -4.523 -2.685 1.00 . A A . 3 ARG CA 1 1 17 6804 1 1 3 ARG CB C 3.246 -5.062 -2.650 1.00 . A A . 3 ARG CB 1 1 17 6805 1 1 3 ARG CD C 5.135 -5.955 -4.045 1.00 . A A . 3 ARG CD 1 1 17 6806 1 1 3 ARG CG C 3.626 -5.858 -3.887 1.00 . A A . 3 ARG CG 1 1 17 6807 1 1 3 ARG CZ C 6.775 -5.663 -5.861 1.00 . A A . 3 ARG CZ 1 1 17 6808 1 1 3 ARG H H 2.410 -3.184 -1.158 1.00 . A A . 3 ARG H 1 1 17 6809 1 1 3 ARG HA H 1.595 -4.173 -3.682 1.00 . A A . 3 ARG HA 1 1 17 6810 1 1 3 ARG HB2 H 3.929 -4.231 -2.559 1.00 . A A . 3 ARG HB2 1 1 17 6811 1 1 3 ARG HB3 H 3.356 -5.703 -1.788 1.00 . A A . 3 ARG HB3 1 1 17 6812 1 1 3 ARG HD2 H 5.591 -5.116 -3.540 1.00 . A A . 3 ARG HD2 1 1 17 6813 1 1 3 ARG HD3 H 5.473 -6.875 -3.592 1.00 . A A . 3 ARG HD3 1 1 17 6814 1 1 3 ARG HE H 4.856 -6.146 -6.120 1.00 . A A . 3 ARG HE 1 1 17 6815 1 1 3 ARG HG2 H 3.219 -6.855 -3.801 1.00 . A A . 3 ARG HG2 1 1 17 6816 1 1 3 ARG HG3 H 3.211 -5.372 -4.758 1.00 . A A . 3 ARG HG3 1 1 17 6817 1 1 3 ARG HH11 H 7.520 -5.370 -4.003 1.00 . A A . 3 ARG HH11 1 1 17 6818 1 1 3 ARG HH12 H 8.653 -5.171 -5.297 1.00 . A A . 3 ARG HH12 1 1 17 6819 1 1 3 ARG HH21 H 6.345 -5.885 -7.823 1.00 . A A . 3 ARG HH21 1 1 17 6820 1 1 3 ARG HH22 H 7.987 -5.463 -7.466 1.00 . A A . 3 ARG HH22 1 1 17 6821 1 1 3 ARG N N 1.677 -3.392 -1.775 1.00 . A A . 3 ARG N 1 1 17 6822 1 1 3 ARG NE N 5.540 -5.939 -5.449 1.00 . A A . 3 ARG NE 1 1 17 6823 1 1 3 ARG NH1 N 7.727 -5.378 -4.981 1.00 . A A . 3 ARG NH1 1 1 17 6824 1 1 3 ARG NH2 N 7.059 -5.671 -7.156 1.00 . A A . 3 ARG NH2 1 1 17 6825 1 1 3 ARG O O 0.418 -6.411 -3.186 1.00 . A A . 3 ARG O 1 1 17 6826 1 1 4 ALA C C -1.901 -6.186 -0.512 1.00 . A A . 4 ALA C 1 1 17 6827 1 1 4 ALA CA C -0.472 -6.720 -0.581 1.00 . A A . 4 ALA CA 1 1 17 6828 1 1 4 ALA CB C -0.037 -7.245 0.779 1.00 . A A . 4 ALA CB 1 1 17 6829 1 1 4 ALA H H 0.825 -5.056 -0.410 1.00 . A A . 4 ALA H 1 1 17 6830 1 1 4 ALA HA H -0.443 -7.542 -1.281 1.00 . A A . 4 ALA HA 1 1 17 6831 1 1 4 ALA HB1 H -0.362 -8.269 0.890 1.00 . A A . 4 ALA HB1 1 1 17 6832 1 1 4 ALA HB2 H -0.481 -6.640 1.556 1.00 . A A . 4 ALA HB2 1 1 17 6833 1 1 4 ALA HB3 H 1.039 -7.198 0.856 1.00 . A A . 4 ALA HB3 1 1 17 6834 1 1 4 ALA N N 0.462 -5.703 -1.050 1.00 . A A . 4 ALA N 1 1 17 6835 1 1 4 ALA O O -2.811 -6.887 -0.069 1.00 . A A . 4 ALA O 1 1 17 6836 1 1 5 CYS C C -4.295 -4.898 -2.048 1.00 . A A . 5 CYS C 1 1 17 6837 1 1 5 CYS CA C -3.420 -4.334 -0.935 1.00 . A A . 5 CYS CA 1 1 17 6838 1 1 5 CYS CB C -3.316 -2.818 -1.094 1.00 . A A . 5 CYS CB 1 1 17 6839 1 1 5 CYS H H -1.340 -4.432 -1.295 1.00 . A A . 5 CYS H 1 1 17 6840 1 1 5 CYS HA H -3.876 -4.554 0.018 1.00 . A A . 5 CYS HA 1 1 17 6841 1 1 5 CYS HB2 H -2.523 -2.450 -0.469 1.00 . A A . 5 CYS HB2 1 1 17 6842 1 1 5 CYS HB3 H -3.094 -2.585 -2.124 1.00 . A A . 5 CYS HB3 1 1 17 6843 1 1 5 CYS N N -2.098 -4.945 -0.952 1.00 . A A . 5 CYS N 1 1 17 6844 1 1 5 CYS O O -3.793 -5.469 -3.017 1.00 . A A . 5 CYS O 1 1 17 6845 1 1 5 CYS SG S -4.836 -1.929 -0.639 1.00 . A A . 5 CYS SG 1 1 17 6846 1 1 6 SER C C -7.347 -4.048 -3.502 1.00 . A A . 6 SER C 1 1 17 6847 1 1 6 SER CA C -6.548 -5.205 -2.907 1.00 . A A . 6 SER CA 1 1 17 6848 1 1 6 SER CB C -7.499 -6.232 -2.288 1.00 . A A . 6 SER CB 1 1 17 6849 1 1 6 SER H H -5.943 -4.256 -1.118 1.00 . A A . 6 SER H 1 1 17 6850 1 1 6 SER HA H -5.984 -5.680 -3.696 1.00 . A A . 6 SER HA 1 1 17 6851 1 1 6 SER HB2 H -6.982 -6.775 -1.511 1.00 . A A . 6 SER HB2 1 1 17 6852 1 1 6 SER HB3 H -8.351 -5.720 -1.865 1.00 . A A . 6 SER HB3 1 1 17 6853 1 1 6 SER HG H -8.626 -7.723 -2.873 1.00 . A A . 6 SER HG 1 1 17 6854 1 1 6 SER N N -5.604 -4.725 -1.909 1.00 . A A . 6 SER N 1 1 17 6855 1 1 6 SER O O -8.414 -4.254 -4.081 1.00 . A A . 6 SER O 1 1 17 6856 1 1 6 SER OG O -7.957 -7.155 -3.261 1.00 . A A . 6 SER OG 1 1 17 6857 1 1 7 LEU C C -6.818 -1.128 -5.141 1.00 . A A . 7 LEU C 1 1 17 6858 1 1 7 LEU CA C -7.509 -1.647 -3.882 1.00 . A A . 7 LEU CA 1 1 17 6859 1 1 7 LEU CB C -7.554 -0.540 -2.827 1.00 . A A . 7 LEU CB 1 1 17 6860 1 1 7 LEU CD1 C -7.596 -0.402 -0.318 1.00 . A A . 7 LEU CD1 1 1 17 6861 1 1 7 LEU CD2 C -9.733 -0.277 -1.615 1.00 . A A . 7 LEU CD2 1 1 17 6862 1 1 7 LEU CG C -8.338 -0.884 -1.558 1.00 . A A . 7 LEU CG 1 1 17 6863 1 1 7 LEU H H -5.975 -2.718 -2.883 1.00 . A A . 7 LEU H 1 1 17 6864 1 1 7 LEU HA H -8.519 -1.933 -4.132 1.00 . A A . 7 LEU HA 1 1 17 6865 1 1 7 LEU HB2 H -6.539 -0.297 -2.547 1.00 . A A . 7 LEU HB2 1 1 17 6866 1 1 7 LEU HB3 H -8.002 0.334 -3.274 1.00 . A A . 7 LEU HB3 1 1 17 6867 1 1 7 LEU HD11 H -7.268 -1.255 0.258 1.00 . A A . 7 LEU HD11 1 1 17 6868 1 1 7 LEU HD12 H -8.254 0.207 0.284 1.00 . A A . 7 LEU HD12 1 1 17 6869 1 1 7 LEU HD13 H -6.737 0.182 -0.616 1.00 . A A . 7 LEU HD13 1 1 17 6870 1 1 7 LEU HD21 H -9.662 0.796 -1.517 1.00 . A A . 7 LEU HD21 1 1 17 6871 1 1 7 LEU HD22 H -10.331 -0.674 -0.809 1.00 . A A . 7 LEU HD22 1 1 17 6872 1 1 7 LEU HD23 H -10.193 -0.523 -2.561 1.00 . A A . 7 LEU HD23 1 1 17 6873 1 1 7 LEU HG H -8.442 -1.957 -1.487 1.00 . A A . 7 LEU HG 1 1 17 6874 1 1 7 LEU N N -6.830 -2.827 -3.355 1.00 . A A . 7 LEU N 1 1 17 6875 1 1 7 LEU O O -5.592 -1.162 -5.245 1.00 . A A . 7 LEU O 1 1 17 6876 1 1 8 PRO C C -6.693 1.376 -7.258 1.00 . A A . 8 PRO C 1 1 17 6877 1 1 8 PRO CA C -7.065 -0.101 -7.369 1.00 . A A . 8 PRO CA 1 1 17 6878 1 1 8 PRO CB C -8.234 -0.287 -8.329 1.00 . A A . 8 PRO CB 1 1 17 6879 1 1 8 PRO CD C -9.073 -0.551 -6.083 1.00 . A A . 8 PRO CD 1 1 17 6880 1 1 8 PRO CG C -9.448 -0.106 -7.478 1.00 . A A . 8 PRO CG 1 1 17 6881 1 1 8 PRO HA H -6.213 -0.667 -7.714 1.00 . A A . 8 PRO HA 1 1 17 6882 1 1 8 PRO HB2 H -8.183 0.456 -9.112 1.00 . A A . 8 PRO HB2 1 1 17 6883 1 1 8 PRO HB3 H -8.198 -1.276 -8.759 1.00 . A A . 8 PRO HB3 1 1 17 6884 1 1 8 PRO HD2 H -9.398 0.178 -5.356 1.00 . A A . 8 PRO HD2 1 1 17 6885 1 1 8 PRO HD3 H -9.506 -1.517 -5.868 1.00 . A A . 8 PRO HD3 1 1 17 6886 1 1 8 PRO HG2 H -9.737 0.935 -7.472 1.00 . A A . 8 PRO HG2 1 1 17 6887 1 1 8 PRO HG3 H -10.254 -0.715 -7.859 1.00 . A A . 8 PRO HG3 1 1 17 6888 1 1 8 PRO N N -7.600 -0.633 -6.119 1.00 . A A . 8 PRO N 1 1 17 6889 1 1 8 PRO O O -7.012 2.175 -8.138 1.00 . A A . 8 PRO O 1 1 17 6890 1 1 9 HIS C C -4.205 3.160 -5.347 1.00 . A A . 9 HIS C 1 1 17 6891 1 1 9 HIS CA C -5.610 3.109 -5.931 1.00 . A A . 9 HIS CA 1 1 17 6892 1 1 9 HIS CB C -6.580 3.796 -4.969 1.00 . A A . 9 HIS CB 1 1 17 6893 1 1 9 HIS CD2 C -5.356 5.982 -4.311 1.00 . A A . 9 HIS CD2 1 1 17 6894 1 1 9 HIS CE1 C -6.802 7.418 -5.120 1.00 . A A . 9 HIS CE1 1 1 17 6895 1 1 9 HIS CG C -6.368 5.273 -4.864 1.00 . A A . 9 HIS CG 1 1 17 6896 1 1 9 HIS H H -5.801 1.048 -5.501 1.00 . A A . 9 HIS H 1 1 17 6897 1 1 9 HIS HA H -5.619 3.630 -6.876 1.00 . A A . 9 HIS HA 1 1 17 6898 1 1 9 HIS HB2 H -7.592 3.625 -5.303 1.00 . A A . 9 HIS HB2 1 1 17 6899 1 1 9 HIS HB3 H -6.454 3.372 -3.981 1.00 . A A . 9 HIS HB3 1 1 17 6900 1 1 9 HIS HD1 H -8.098 5.999 -5.823 1.00 . A A . 9 HIS HD1 1 1 17 6901 1 1 9 HIS HD2 H -4.479 5.575 -3.825 1.00 . A A . 9 HIS HD2 1 1 17 6902 1 1 9 HIS HE1 H -7.289 8.342 -5.394 1.00 . A A . 9 HIS HE1 1 1 17 6903 1 1 9 HIS HE2 H -5.142 8.061 -4.106 1.00 . A A . 9 HIS HE2 1 1 17 6904 1 1 9 HIS N N -6.023 1.730 -6.166 1.00 . A A . 9 HIS N 1 1 17 6905 1 1 9 HIS ND1 N -7.258 6.201 -5.361 1.00 . A A . 9 HIS ND1 1 1 17 6906 1 1 9 HIS NE2 N -5.650 7.312 -4.483 1.00 . A A . 9 HIS NE2 1 1 17 6907 1 1 9 HIS O O -3.358 3.934 -5.792 1.00 . A A . 9 HIS O 1 1 17 6908 1 1 10 CYS C C -1.603 1.750 -4.608 1.00 . A A . 10 CYS C 1 1 17 6909 1 1 10 CYS CA C -2.686 2.270 -3.667 1.00 . A A . 10 CYS CA 1 1 17 6910 1 1 10 CYS CB C -2.782 1.377 -2.428 1.00 . A A . 10 CYS CB 1 1 17 6911 1 1 10 CYS H H -4.700 1.747 -4.033 1.00 . A A . 10 CYS H 1 1 17 6912 1 1 10 CYS HA H -2.426 3.271 -3.359 1.00 . A A . 10 CYS HA 1 1 17 6913 1 1 10 CYS HB2 H -2.715 0.345 -2.733 1.00 . A A . 10 CYS HB2 1 1 17 6914 1 1 10 CYS HB3 H -1.960 1.606 -1.765 1.00 . A A . 10 CYS HB3 1 1 17 6915 1 1 10 CYS N N -3.977 2.331 -4.339 1.00 . A A . 10 CYS N 1 1 17 6916 1 1 10 CYS O O -0.431 2.102 -4.475 1.00 . A A . 10 CYS O 1 1 17 6917 1 1 10 CYS SG S -4.331 1.575 -1.483 1.00 . A A . 10 CYS SG 1 1 17 6918 1 1 11 ARG C C -0.570 1.433 -7.486 1.00 . A A . 11 ARG C 1 1 17 6919 1 1 11 ARG CA C -1.062 0.355 -6.526 1.00 . A A . 11 ARG CA 1 1 17 6920 1 1 11 ARG CB C -1.719 -0.782 -7.311 1.00 . A A . 11 ARG CB 1 1 17 6921 1 1 11 ARG CD C -0.309 -2.850 -7.090 1.00 . A A . 11 ARG CD 1 1 17 6922 1 1 11 ARG CG C -0.723 -1.702 -7.997 1.00 . A A . 11 ARG CG 1 1 17 6923 1 1 11 ARG CZ C 1.221 -4.781 -7.130 1.00 . A A . 11 ARG CZ 1 1 17 6924 1 1 11 ARG H H -2.950 0.673 -5.622 1.00 . A A . 11 ARG H 1 1 17 6925 1 1 11 ARG HA H -0.219 -0.036 -5.978 1.00 . A A . 11 ARG HA 1 1 17 6926 1 1 11 ARG HB2 H -2.316 -1.374 -6.632 1.00 . A A . 11 ARG HB2 1 1 17 6927 1 1 11 ARG HB3 H -2.364 -0.357 -8.066 1.00 . A A . 11 ARG HB3 1 1 17 6928 1 1 11 ARG HD2 H 0.095 -2.442 -6.176 1.00 . A A . 11 ARG HD2 1 1 17 6929 1 1 11 ARG HD3 H -1.182 -3.445 -6.862 1.00 . A A . 11 ARG HD3 1 1 17 6930 1 1 11 ARG HE H 1.001 -3.464 -8.614 1.00 . A A . 11 ARG HE 1 1 17 6931 1 1 11 ARG HG2 H -1.177 -2.108 -8.888 1.00 . A A . 11 ARG HG2 1 1 17 6932 1 1 11 ARG HG3 H 0.154 -1.132 -8.264 1.00 . A A . 11 ARG HG3 1 1 17 6933 1 1 11 ARG HH11 H 0.148 -4.598 -5.425 1.00 . A A . 11 ARG HH11 1 1 17 6934 1 1 11 ARG HH12 H 1.231 -5.948 -5.479 1.00 . A A . 11 ARG HH12 1 1 17 6935 1 1 11 ARG HH21 H 2.426 -5.240 -8.686 1.00 . A A . 11 ARG HH21 1 1 17 6936 1 1 11 ARG HH22 H 2.525 -6.312 -7.330 1.00 . A A . 11 ARG HH22 1 1 17 6937 1 1 11 ARG N N -2.002 0.915 -5.563 1.00 . A A . 11 ARG N 1 1 17 6938 1 1 11 ARG NE N 0.698 -3.705 -7.713 1.00 . A A . 11 ARG NE 1 1 17 6939 1 1 11 ARG NH1 N 0.835 -5.138 -5.911 1.00 . A A . 11 ARG NH1 1 1 17 6940 1 1 11 ARG NH2 N 2.132 -5.504 -7.768 1.00 . A A . 11 ARG NH2 1 1 17 6941 1 1 11 ARG O O -1.113 1.603 -8.577 1.00 . A A . 11 ARG O 1 1 17 6942 1 1 12 THR C C 2.526 3.031 -8.085 1.00 . A A . 12 THR C 1 1 17 6943 1 1 12 THR CA C 1.024 3.230 -7.888 1.00 . A A . 12 THR CA 1 1 17 6944 1 1 12 THR CB C 0.751 4.589 -7.239 1.00 . A A . 12 THR CB 1 1 17 6945 1 1 12 THR CG2 C 1.343 5.752 -8.007 1.00 . A A . 12 THR CG2 1 1 17 6946 1 1 12 THR H H 0.847 1.982 -6.187 1.00 . A A . 12 THR H 1 1 17 6947 1 1 12 THR HA H 0.539 3.198 -8.852 1.00 . A A . 12 THR HA 1 1 17 6948 1 1 12 THR HB H 1.181 4.593 -6.247 1.00 . A A . 12 THR HB 1 1 17 6949 1 1 12 THR HG1 H -1.067 4.029 -6.774 1.00 . A A . 12 THR HG1 1 1 17 6950 1 1 12 THR HG21 H 1.761 5.395 -8.936 1.00 . A A . 12 THR HG21 1 1 17 6951 1 1 12 THR HG22 H 2.120 6.215 -7.416 1.00 . A A . 12 THR HG22 1 1 17 6952 1 1 12 THR HG23 H 0.570 6.477 -8.215 1.00 . A A . 12 THR HG23 1 1 17 6953 1 1 12 THR N N 0.460 2.163 -7.069 1.00 . A A . 12 THR N 1 1 17 6954 1 1 12 THR O O 2.962 2.516 -9.115 1.00 . A A . 12 THR O 1 1 17 6955 1 1 12 THR OG1 O -0.642 4.817 -7.121 1.00 . A A . 12 THR OG1 1 1 17 6956 1 1 13 MET C C 5.286 2.477 -5.987 1.00 . A A . 13 MET C 1 1 17 6957 1 1 13 MET CA C 4.761 3.304 -7.158 1.00 . A A . 13 MET CA 1 1 17 6958 1 1 13 MET CB C 5.423 4.683 -7.160 1.00 . A A . 13 MET CB 1 1 17 6959 1 1 13 MET CE C 5.398 6.502 -10.912 1.00 . A A . 13 MET CE 1 1 17 6960 1 1 13 MET CG C 5.013 5.553 -8.337 1.00 . A A . 13 MET CG 1 1 17 6961 1 1 13 MET H H 2.907 3.841 -6.296 1.00 . A A . 13 MET H 1 1 17 6962 1 1 13 MET HA H 5.005 2.797 -8.079 1.00 . A A . 13 MET HA 1 1 17 6963 1 1 13 MET HB2 H 5.158 5.198 -6.249 1.00 . A A . 13 MET HB2 1 1 17 6964 1 1 13 MET HB3 H 6.495 4.554 -7.192 1.00 . A A . 13 MET HB3 1 1 17 6965 1 1 13 MET HE1 H 5.079 6.088 -11.857 1.00 . A A . 13 MET HE1 1 1 17 6966 1 1 13 MET HE2 H 6.214 7.190 -11.077 1.00 . A A . 13 MET HE2 1 1 17 6967 1 1 13 MET HE3 H 4.573 7.024 -10.451 1.00 . A A . 13 MET HE3 1 1 17 6968 1 1 13 MET HG2 H 3.963 5.397 -8.534 1.00 . A A . 13 MET HG2 1 1 17 6969 1 1 13 MET HG3 H 5.178 6.588 -8.076 1.00 . A A . 13 MET HG3 1 1 17 6970 1 1 13 MET N N 3.311 3.440 -7.093 1.00 . A A . 13 MET N 1 1 17 6971 1 1 13 MET O O 6.488 2.450 -5.731 1.00 . A A . 13 MET O 1 1 17 6972 1 1 13 MET SD S 5.943 5.178 -9.835 1.00 . A A . 13 MET SD 1 1 17 6973 1 1 14 LYS C C 4.918 1.814 -2.872 1.00 . A A . 14 LYS C 1 1 17 6974 1 1 14 LYS CA C 4.728 0.969 -4.134 1.00 . A A . 14 LYS CA 1 1 17 6975 1 1 14 LYS CB C 5.986 0.133 -4.435 1.00 . A A . 14 LYS CB 1 1 17 6976 1 1 14 LYS CD C 8.491 0.262 -4.644 1.00 . A A . 14 LYS CD 1 1 17 6977 1 1 14 LYS CE C 9.771 0.392 -3.834 1.00 . A A . 14 LYS CE 1 1 17 6978 1 1 14 LYS CG C 7.274 0.681 -3.834 1.00 . A A . 14 LYS CG 1 1 17 6979 1 1 14 LYS H H 3.431 1.871 -5.539 1.00 . A A . 14 LYS H 1 1 17 6980 1 1 14 LYS HA H 3.902 0.294 -3.964 1.00 . A A . 14 LYS HA 1 1 17 6981 1 1 14 LYS HB2 H 5.837 -0.865 -4.051 1.00 . A A . 14 LYS HB2 1 1 17 6982 1 1 14 LYS HB3 H 6.113 0.076 -5.507 1.00 . A A . 14 LYS HB3 1 1 17 6983 1 1 14 LYS HD2 H 8.372 -0.767 -4.947 1.00 . A A . 14 LYS HD2 1 1 17 6984 1 1 14 LYS HD3 H 8.562 0.892 -5.519 1.00 . A A . 14 LYS HD3 1 1 17 6985 1 1 14 LYS HE2 H 10.075 1.428 -3.830 1.00 . A A . 14 LYS HE2 1 1 17 6986 1 1 14 LYS HE3 H 9.575 0.071 -2.822 1.00 . A A . 14 LYS HE3 1 1 17 6987 1 1 14 LYS HG2 H 7.222 1.758 -3.812 1.00 . A A . 14 LYS HG2 1 1 17 6988 1 1 14 LYS HG3 H 7.375 0.304 -2.828 1.00 . A A . 14 LYS HG3 1 1 17 6989 1 1 14 LYS HZ1 H 10.999 -0.217 -5.410 1.00 . A A . 14 LYS HZ1 1 1 17 6990 1 1 14 LYS HZ2 H 10.651 -1.444 -4.300 1.00 . A A . 14 LYS HZ2 1 1 17 6991 1 1 14 LYS HZ3 H 11.762 -0.233 -3.900 1.00 . A A . 14 LYS HZ3 1 1 17 6992 1 1 14 LYS N N 4.373 1.804 -5.281 1.00 . A A . 14 LYS N 1 1 17 6993 1 1 14 LYS NZ N 10.873 -0.433 -4.401 1.00 . A A . 14 LYS NZ 1 1 17 6994 1 1 14 LYS O O 5.551 1.377 -1.911 1.00 . A A . 14 LYS O 1 1 17 6995 1 1 15 ASN C C 3.696 3.353 -0.541 1.00 . A A . 15 ASN C 1 1 17 6996 1 1 15 ASN CA C 4.458 3.915 -1.737 1.00 . A A . 15 ASN CA 1 1 17 6997 1 1 15 ASN CB C 3.913 5.295 -2.106 1.00 . A A . 15 ASN CB 1 1 17 6998 1 1 15 ASN CG C 2.574 5.224 -2.813 1.00 . A A . 15 ASN CG 1 1 17 6999 1 1 15 ASN H H 3.859 3.315 -3.664 1.00 . A A . 15 ASN H 1 1 17 7000 1 1 15 ASN HA H 5.501 4.007 -1.476 1.00 . A A . 15 ASN HA 1 1 17 7001 1 1 15 ASN HB2 H 3.791 5.873 -1.208 1.00 . A A . 15 ASN HB2 1 1 17 7002 1 1 15 ASN HB3 H 4.618 5.792 -2.756 1.00 . A A . 15 ASN HB3 1 1 17 7003 1 1 15 ASN HD21 H 3.403 5.866 -4.502 1.00 . A A . 15 ASN HD21 1 1 17 7004 1 1 15 ASN HD22 H 1.707 5.545 -4.573 1.00 . A A . 15 ASN HD22 1 1 17 7005 1 1 15 ASN N N 4.357 3.021 -2.878 1.00 . A A . 15 ASN N 1 1 17 7006 1 1 15 ASN ND2 N 2.560 5.581 -4.092 1.00 . A A . 15 ASN ND2 1 1 17 7007 1 1 15 ASN O O 2.605 3.818 -0.211 1.00 . A A . 15 ASN O 1 1 17 7008 1 1 15 ASN OD1 O 1.563 4.852 -2.217 1.00 . A A . 15 ASN OD1 1 1 17 7009 1 1 16 VAL C C 3.227 2.737 2.300 1.00 . A A . 16 VAL C 1 1 17 7010 1 1 16 VAL CA C 3.659 1.708 1.259 1.00 . A A . 16 VAL CA 1 1 17 7011 1 1 16 VAL CB C 4.613 0.698 1.920 1.00 . A A . 16 VAL CB 1 1 17 7012 1 1 16 VAL CG1 C 3.888 -0.099 2.994 1.00 . A A . 16 VAL CG1 1 1 17 7013 1 1 16 VAL CG2 C 5.220 -0.227 0.876 1.00 . A A . 16 VAL CG2 1 1 17 7014 1 1 16 VAL H H 5.147 2.018 -0.215 1.00 . A A . 16 VAL H 1 1 17 7015 1 1 16 VAL HA H 2.788 1.173 0.916 1.00 . A A . 16 VAL HA 1 1 17 7016 1 1 16 VAL HB H 5.412 1.248 2.391 1.00 . A A . 16 VAL HB 1 1 17 7017 1 1 16 VAL HG11 H 2.834 -0.141 2.762 1.00 . A A . 16 VAL HG11 1 1 17 7018 1 1 16 VAL HG12 H 4.027 0.378 3.952 1.00 . A A . 16 VAL HG12 1 1 17 7019 1 1 16 VAL HG13 H 4.289 -1.101 3.029 1.00 . A A . 16 VAL HG13 1 1 17 7020 1 1 16 VAL HG21 H 6.001 0.295 0.344 1.00 . A A . 16 VAL HG21 1 1 17 7021 1 1 16 VAL HG22 H 4.454 -0.535 0.180 1.00 . A A . 16 VAL HG22 1 1 17 7022 1 1 16 VAL HG23 H 5.635 -1.096 1.364 1.00 . A A . 16 VAL HG23 1 1 17 7023 1 1 16 VAL N N 4.278 2.345 0.101 1.00 . A A . 16 VAL N 1 1 17 7024 1 1 16 VAL O O 2.202 2.570 2.961 1.00 . A A . 16 VAL O 1 1 17 7025 1 1 17 LEU C C 2.360 5.486 3.098 1.00 . A A . 17 LEU C 1 1 17 7026 1 1 17 LEU CA C 3.707 4.847 3.406 1.00 . A A . 17 LEU CA 1 1 17 7027 1 1 17 LEU CB C 4.806 5.910 3.401 1.00 . A A . 17 LEU CB 1 1 17 7028 1 1 17 LEU CD1 C 7.217 6.234 2.796 1.00 . A A . 17 LEU CD1 1 1 17 7029 1 1 17 LEU CD2 C 6.606 5.308 5.037 1.00 . A A . 17 LEU CD2 1 1 17 7030 1 1 17 LEU CG C 6.228 5.372 3.565 1.00 . A A . 17 LEU CG 1 1 17 7031 1 1 17 LEU H H 4.819 3.878 1.890 1.00 . A A . 17 LEU H 1 1 17 7032 1 1 17 LEU HA H 3.658 4.396 4.379 1.00 . A A . 17 LEU HA 1 1 17 7033 1 1 17 LEU HB2 H 4.752 6.449 2.466 1.00 . A A . 17 LEU HB2 1 1 17 7034 1 1 17 LEU HB3 H 4.612 6.600 4.206 1.00 . A A . 17 LEU HB3 1 1 17 7035 1 1 17 LEU HD11 H 8.137 5.687 2.653 1.00 . A A . 17 LEU HD11 1 1 17 7036 1 1 17 LEU HD12 H 7.418 7.137 3.354 1.00 . A A . 17 LEU HD12 1 1 17 7037 1 1 17 LEU HD13 H 6.799 6.491 1.834 1.00 . A A . 17 LEU HD13 1 1 17 7038 1 1 17 LEU HD21 H 7.100 6.225 5.322 1.00 . A A . 17 LEU HD21 1 1 17 7039 1 1 17 LEU HD22 H 7.273 4.474 5.201 1.00 . A A . 17 LEU HD22 1 1 17 7040 1 1 17 LEU HD23 H 5.715 5.179 5.632 1.00 . A A . 17 LEU HD23 1 1 17 7041 1 1 17 LEU HG H 6.276 4.370 3.162 1.00 . A A . 17 LEU HG 1 1 17 7042 1 1 17 LEU N N 4.014 3.798 2.443 1.00 . A A . 17 LEU N 1 1 17 7043 1 1 17 LEU O O 1.615 5.864 4.002 1.00 . A A . 17 LEU O 1 1 17 7044 1 1 18 ASN C C -0.355 5.202 1.574 1.00 . A A . 18 ASN C 1 1 17 7045 1 1 18 ASN CA C 0.798 6.178 1.369 1.00 . A A . 18 ASN CA 1 1 17 7046 1 1 18 ASN CB C 0.890 6.578 -0.105 1.00 . A A . 18 ASN CB 1 1 17 7047 1 1 18 ASN CG C 0.676 8.064 -0.317 1.00 . A A . 18 ASN CG 1 1 17 7048 1 1 18 ASN H H 2.694 5.266 1.150 1.00 . A A . 18 ASN H 1 1 17 7049 1 1 18 ASN HA H 0.615 7.060 1.962 1.00 . A A . 18 ASN HA 1 1 17 7050 1 1 18 ASN HB2 H 1.867 6.317 -0.482 1.00 . A A . 18 ASN HB2 1 1 17 7051 1 1 18 ASN HB3 H 0.139 6.041 -0.666 1.00 . A A . 18 ASN HB3 1 1 17 7052 1 1 18 ASN HD21 H 1.834 8.478 1.245 1.00 . A A . 18 ASN HD21 1 1 17 7053 1 1 18 ASN HD22 H 1.167 9.843 0.423 1.00 . A A . 18 ASN HD22 1 1 17 7054 1 1 18 ASN N N 2.056 5.594 1.815 1.00 . A A . 18 ASN N 1 1 17 7055 1 1 18 ASN ND2 N 1.288 8.877 0.537 1.00 . A A . 18 ASN ND2 1 1 17 7056 1 1 18 ASN O O -1.491 5.607 1.822 1.00 . A A . 18 ASN O 1 1 17 7057 1 1 18 ASN OD1 O -0.029 8.477 -1.237 1.00 . A A . 18 ASN OD1 1 1 17 7058 1 1 19 HIS C C -1.361 2.631 3.104 1.00 . A A . 19 HIS C 1 1 17 7059 1 1 19 HIS CA C -1.061 2.875 1.625 1.00 . A A . 19 HIS CA 1 1 17 7060 1 1 19 HIS CB C -0.599 1.580 0.940 1.00 . A A . 19 HIS CB 1 1 17 7061 1 1 19 HIS CD2 C -0.691 -0.571 2.366 1.00 . A A . 19 HIS CD2 1 1 17 7062 1 1 19 HIS CE1 C -2.718 -1.165 1.847 1.00 . A A . 19 HIS CE1 1 1 17 7063 1 1 19 HIS CG C -1.215 0.331 1.500 1.00 . A A . 19 HIS CG 1 1 17 7064 1 1 19 HIS H H 0.870 3.658 1.257 1.00 . A A . 19 HIS H 1 1 17 7065 1 1 19 HIS HA H -1.960 3.220 1.145 1.00 . A A . 19 HIS HA 1 1 17 7066 1 1 19 HIS HB2 H -0.851 1.628 -0.108 1.00 . A A . 19 HIS HB2 1 1 17 7067 1 1 19 HIS HB3 H 0.473 1.495 1.040 1.00 . A A . 19 HIS HB3 1 1 17 7068 1 1 19 HIS HD2 H 0.288 -0.544 2.813 1.00 . A A . 19 HIS HD2 1 1 17 7069 1 1 19 HIS HE1 H -3.657 -1.696 1.833 1.00 . A A . 19 HIS HE1 1 1 17 7070 1 1 19 HIS HE2 H -1.517 -2.391 3.010 1.00 . A A . 19 HIS HE2 1 1 17 7071 1 1 19 HIS N N -0.053 3.914 1.461 1.00 . A A . 19 HIS N 1 1 17 7072 1 1 19 HIS ND1 N -2.494 -0.054 1.177 1.00 . A A . 19 HIS ND1 1 1 17 7073 1 1 19 HIS NE2 N -1.655 -1.522 2.580 1.00 . A A . 19 HIS NE2 1 1 17 7074 1 1 19 HIS O O -2.500 2.772 3.546 1.00 . A A . 19 HIS O 1 1 17 7075 1 1 20 MET C C -1.129 3.190 6.010 1.00 . A A . 20 MET C 1 1 17 7076 1 1 20 MET CA C -0.504 1.997 5.290 1.00 . A A . 20 MET CA 1 1 17 7077 1 1 20 MET CB C 0.843 1.651 5.926 1.00 . A A . 20 MET CB 1 1 17 7078 1 1 20 MET CE C 1.950 -0.126 9.500 1.00 . A A . 20 MET CE 1 1 17 7079 1 1 20 MET CG C 0.720 0.874 7.227 1.00 . A A . 20 MET CG 1 1 17 7080 1 1 20 MET H H 0.549 2.163 3.459 1.00 . A A . 20 MET H 1 1 17 7081 1 1 20 MET HA H -1.166 1.150 5.390 1.00 . A A . 20 MET HA 1 1 17 7082 1 1 20 MET HB2 H 1.415 1.056 5.229 1.00 . A A . 20 MET HB2 1 1 17 7083 1 1 20 MET HB3 H 1.379 2.567 6.128 1.00 . A A . 20 MET HB3 1 1 17 7084 1 1 20 MET HE1 H 1.611 -0.990 8.946 1.00 . A A . 20 MET HE1 1 1 17 7085 1 1 20 MET HE2 H 1.265 0.072 10.311 1.00 . A A . 20 MET HE2 1 1 17 7086 1 1 20 MET HE3 H 2.934 -0.319 9.899 1.00 . A A . 20 MET HE3 1 1 17 7087 1 1 20 MET HG2 H -0.239 1.093 7.672 1.00 . A A . 20 MET HG2 1 1 17 7088 1 1 20 MET HG3 H 0.781 -0.182 7.007 1.00 . A A . 20 MET HG3 1 1 17 7089 1 1 20 MET N N -0.337 2.262 3.864 1.00 . A A . 20 MET N 1 1 17 7090 1 1 20 MET O O -1.711 3.041 7.084 1.00 . A A . 20 MET O 1 1 17 7091 1 1 20 MET SD S 2.014 1.294 8.411 1.00 . A A . 20 MET SD 1 1 17 7092 1 1 21 THR C C -3.079 5.589 5.954 1.00 . A A . 21 THR C 1 1 17 7093 1 1 21 THR CA C -1.549 5.586 6.010 1.00 . A A . 21 THR CA 1 1 17 7094 1 1 21 THR CB C -0.971 6.822 5.300 1.00 . A A . 21 THR CB 1 1 17 7095 1 1 21 THR CG2 C -2.003 7.874 4.940 1.00 . A A . 21 THR CG2 1 1 17 7096 1 1 21 THR H H -0.522 4.434 4.567 1.00 . A A . 21 THR H 1 1 17 7097 1 1 21 THR HA H -1.244 5.607 7.044 1.00 . A A . 21 THR HA 1 1 17 7098 1 1 21 THR HB H -0.492 6.503 4.385 1.00 . A A . 21 THR HB 1 1 17 7099 1 1 21 THR HG1 H 0.383 8.194 5.640 1.00 . A A . 21 THR HG1 1 1 17 7100 1 1 21 THR HG21 H -1.501 8.767 4.597 1.00 . A A . 21 THR HG21 1 1 17 7101 1 1 21 THR HG22 H -2.598 8.108 5.810 1.00 . A A . 21 THR HG22 1 1 17 7102 1 1 21 THR HG23 H -2.643 7.497 4.156 1.00 . A A . 21 THR HG23 1 1 17 7103 1 1 21 THR N N -1.000 4.373 5.418 1.00 . A A . 21 THR N 1 1 17 7104 1 1 21 THR O O -3.729 6.336 6.686 1.00 . A A . 21 THR O 1 1 17 7105 1 1 21 THR OG1 O 0.004 7.450 6.113 1.00 . A A . 21 THR OG1 1 1 17 7106 1 1 22 HIS C C -5.620 3.264 4.918 1.00 . A A . 22 HIS C 1 1 17 7107 1 1 22 HIS CA C -5.105 4.699 4.939 1.00 . A A . 22 HIS CA 1 1 17 7108 1 1 22 HIS CB C -5.548 5.412 3.659 1.00 . A A . 22 HIS CB 1 1 17 7109 1 1 22 HIS CD2 C -4.609 3.546 2.085 1.00 . A A . 22 HIS CD2 1 1 17 7110 1 1 22 HIS CE1 C -4.286 4.782 0.309 1.00 . A A . 22 HIS CE1 1 1 17 7111 1 1 22 HIS CG C -4.994 4.815 2.395 1.00 . A A . 22 HIS CG 1 1 17 7112 1 1 22 HIS H H -3.085 4.197 4.514 1.00 . A A . 22 HIS H 1 1 17 7113 1 1 22 HIS HA H -5.539 5.209 5.785 1.00 . A A . 22 HIS HA 1 1 17 7114 1 1 22 HIS HB2 H -6.625 5.377 3.594 1.00 . A A . 22 HIS HB2 1 1 17 7115 1 1 22 HIS HB3 H -5.231 6.443 3.705 1.00 . A A . 22 HIS HB3 1 1 17 7116 1 1 22 HIS HD1 H -4.956 6.518 1.157 1.00 . A A . 22 HIS HD1 1 1 17 7117 1 1 22 HIS HD2 H -4.645 2.677 2.732 1.00 . A A . 22 HIS HD2 1 1 17 7118 1 1 22 HIS HE1 H -4.027 5.093 -0.694 1.00 . A A . 22 HIS HE1 1 1 17 7119 1 1 22 HIS HE2 H -3.612 2.865 0.389 1.00 . A A . 22 HIS HE2 1 1 17 7120 1 1 22 HIS N N -3.650 4.764 5.079 1.00 . A A . 22 HIS N 1 1 17 7121 1 1 22 HIS ND1 N -4.776 5.560 1.256 1.00 . A A . 22 HIS ND1 1 1 17 7122 1 1 22 HIS NE2 N -4.172 3.558 0.787 1.00 . A A . 22 HIS NE2 1 1 17 7123 1 1 22 HIS O O -6.830 3.036 4.935 1.00 . A A . 22 HIS O 1 1 17 7124 1 1 23 CYS C C -4.596 0.146 6.010 1.00 . A A . 23 CYS C 1 1 17 7125 1 1 23 CYS CA C -5.093 0.910 4.786 1.00 . A A . 23 CYS CA 1 1 17 7126 1 1 23 CYS CB C -4.509 0.319 3.515 1.00 . A A . 23 CYS CB 1 1 17 7127 1 1 23 CYS H H -3.766 2.524 4.808 1.00 . A A . 23 CYS H 1 1 17 7128 1 1 23 CYS HA H -6.169 0.852 4.742 1.00 . A A . 23 CYS HA 1 1 17 7129 1 1 23 CYS HB2 H -3.645 0.899 3.229 1.00 . A A . 23 CYS HB2 1 1 17 7130 1 1 23 CYS HB3 H -4.201 -0.688 3.709 1.00 . A A . 23 CYS HB3 1 1 17 7131 1 1 23 CYS N N -4.713 2.300 4.848 1.00 . A A . 23 CYS N 1 1 17 7132 1 1 23 CYS O O -4.075 0.739 6.955 1.00 . A A . 23 CYS O 1 1 17 7133 1 1 23 CYS SG S -5.653 0.309 2.092 1.00 . A A . 23 CYS SG 1 1 17 7134 1 1 24 GLN C C -3.546 -3.224 6.583 1.00 . A A . 24 GLN C 1 1 17 7135 1 1 24 GLN CA C -4.328 -2.018 7.092 1.00 . A A . 24 GLN CA 1 1 17 7136 1 1 24 GLN CB C -5.536 -2.485 7.906 1.00 . A A . 24 GLN CB 1 1 17 7137 1 1 24 GLN CD C -7.014 -2.079 9.913 1.00 . A A . 24 GLN CD 1 1 17 7138 1 1 24 GLN CG C -5.949 -1.511 8.997 1.00 . A A . 24 GLN CG 1 1 17 7139 1 1 24 GLN H H -5.182 -1.587 5.204 1.00 . A A . 24 GLN H 1 1 17 7140 1 1 24 GLN HA H -3.684 -1.428 7.727 1.00 . A A . 24 GLN HA 1 1 17 7141 1 1 24 GLN HB2 H -6.374 -2.622 7.239 1.00 . A A . 24 GLN HB2 1 1 17 7142 1 1 24 GLN HB3 H -5.299 -3.432 8.369 1.00 . A A . 24 GLN HB3 1 1 17 7143 1 1 24 GLN HE21 H -8.378 -0.868 9.121 1.00 . A A . 24 GLN HE21 1 1 17 7144 1 1 24 GLN HE22 H -8.943 -1.921 10.369 1.00 . A A . 24 GLN HE22 1 1 17 7145 1 1 24 GLN HG2 H -5.081 -1.264 9.589 1.00 . A A . 24 GLN HG2 1 1 17 7146 1 1 24 GLN HG3 H -6.334 -0.614 8.534 1.00 . A A . 24 GLN HG3 1 1 17 7147 1 1 24 GLN N N -4.760 -1.172 5.985 1.00 . A A . 24 GLN N 1 1 17 7148 1 1 24 GLN NE2 N -8.235 -1.572 9.788 1.00 . A A . 24 GLN NE2 1 1 17 7149 1 1 24 GLN O O -3.352 -3.384 5.378 1.00 . A A . 24 GLN O 1 1 17 7150 1 1 24 GLN OE1 O -6.744 -2.965 10.725 1.00 . A A . 24 GLN OE1 1 1 17 7151 1 1 25 ALA C C -0.852 -4.945 7.007 1.00 . A A . 25 ALA C 1 1 17 7152 1 1 25 ALA CA C -2.332 -5.268 7.177 1.00 . A A . 25 ALA CA 1 1 17 7153 1 1 25 ALA CB C -2.879 -5.936 5.921 1.00 . A A . 25 ALA CB 1 1 17 7154 1 1 25 ALA H H -3.288 -3.876 8.456 1.00 . A A . 25 ALA H 1 1 17 7155 1 1 25 ALA HA H -2.439 -5.964 7.998 1.00 . A A . 25 ALA HA 1 1 17 7156 1 1 25 ALA HB1 H -2.659 -6.993 5.950 1.00 . A A . 25 ALA HB1 1 1 17 7157 1 1 25 ALA HB2 H -2.418 -5.496 5.049 1.00 . A A . 25 ALA HB2 1 1 17 7158 1 1 25 ALA HB3 H -3.949 -5.793 5.874 1.00 . A A . 25 ALA HB3 1 1 17 7159 1 1 25 ALA N N -3.098 -4.067 7.513 1.00 . A A . 25 ALA N 1 1 17 7160 1 1 25 ALA O O -0.492 -3.868 6.531 1.00 . A A . 25 ALA O 1 1 17 7161 1 1 26 GLY C C 2.033 -5.041 8.520 1.00 . A A . 26 GLY C 1 1 17 7162 1 1 26 GLY CA C 1.435 -5.680 7.282 1.00 . A A . 26 GLY CA 1 1 17 7163 1 1 26 GLY H H -0.342 -6.723 7.771 1.00 . A A . 26 GLY H 1 1 17 7164 1 1 26 GLY HA2 H 1.911 -6.635 7.117 1.00 . A A . 26 GLY HA2 1 1 17 7165 1 1 26 GLY HA3 H 1.628 -5.042 6.432 1.00 . A A . 26 GLY HA3 1 1 17 7166 1 1 26 GLY N N 0.003 -5.884 7.400 1.00 . A A . 26 GLY N 1 1 17 7167 1 1 26 GLY O O 2.925 -4.199 8.423 1.00 . A A . 26 GLY O 1 1 17 7168 1 1 27 LYS C C 1.813 -3.394 11.019 1.00 . A A . 27 LYS C 1 1 17 7169 1 1 27 LYS CA C 2.031 -4.902 10.950 1.00 . A A . 27 LYS CA 1 1 17 7170 1 1 27 LYS CB C 3.517 -5.223 11.122 1.00 . A A . 27 LYS CB 1 1 17 7171 1 1 27 LYS CD C 3.687 -7.714 10.836 1.00 . A A . 27 LYS CD 1 1 17 7172 1 1 27 LYS CE C 4.185 -9.006 11.462 1.00 . A A . 27 LYS CE 1 1 17 7173 1 1 27 LYS CG C 3.777 -6.552 11.812 1.00 . A A . 27 LYS CG 1 1 17 7174 1 1 27 LYS H H 0.829 -6.116 9.700 1.00 . A A . 27 LYS H 1 1 17 7175 1 1 27 LYS HA H 1.476 -5.371 11.749 1.00 . A A . 27 LYS HA 1 1 17 7176 1 1 27 LYS HB2 H 3.982 -5.251 10.148 1.00 . A A . 27 LYS HB2 1 1 17 7177 1 1 27 LYS HB3 H 3.977 -4.441 11.708 1.00 . A A . 27 LYS HB3 1 1 17 7178 1 1 27 LYS HD2 H 2.657 -7.843 10.540 1.00 . A A . 27 LYS HD2 1 1 17 7179 1 1 27 LYS HD3 H 4.288 -7.489 9.968 1.00 . A A . 27 LYS HD3 1 1 17 7180 1 1 27 LYS HE2 H 3.603 -9.211 12.348 1.00 . A A . 27 LYS HE2 1 1 17 7181 1 1 27 LYS HE3 H 4.053 -9.809 10.752 1.00 . A A . 27 LYS HE3 1 1 17 7182 1 1 27 LYS HG2 H 4.766 -6.535 12.245 1.00 . A A . 27 LYS HG2 1 1 17 7183 1 1 27 LYS HG3 H 3.042 -6.691 12.593 1.00 . A A . 27 LYS HG3 1 1 17 7184 1 1 27 LYS HZ1 H 5.722 -8.510 12.787 1.00 . A A . 27 LYS HZ1 1 1 17 7185 1 1 27 LYS HZ2 H 6.137 -8.328 11.157 1.00 . A A . 27 LYS HZ2 1 1 17 7186 1 1 27 LYS HZ3 H 6.048 -9.873 11.839 1.00 . A A . 27 LYS HZ3 1 1 17 7187 1 1 27 LYS N N 1.540 -5.442 9.687 1.00 . A A . 27 LYS N 1 1 17 7188 1 1 27 LYS NZ N 5.624 -8.924 11.837 1.00 . A A . 27 LYS NZ 1 1 17 7189 1 1 27 LYS O O 0.812 -2.970 11.633 1.00 . A A . 27 LYS O 1 1 17 7190 1 1 27 LYS OXT O 2.646 -2.651 10.460 1.00 . A A . 27 LYS OXT 1 1 17 7191 2 2 1 ZN ZN ZN -4.263 0.088 0.267 1.00 . B A . 28 ZN ZN 1 1 18 7192 1 1 1 GLU C C 1.003 -2.966 1.449 1.00 . A A . 1 GLU C 1 1 18 7193 1 1 1 GLU CA C 1.898 -3.101 2.674 1.00 . A A . 1 GLU CA 1 1 18 7194 1 1 1 GLU CB C 2.915 -4.224 2.465 1.00 . A A . 1 GLU CB 1 1 18 7195 1 1 1 GLU CD C 5.202 -5.133 3.036 1.00 . A A . 1 GLU CD 1 1 18 7196 1 1 1 GLU CG C 4.112 -4.142 3.397 1.00 . A A . 1 GLU CG 1 1 18 7197 1 1 1 GLU H1 H 0.419 -4.146 3.650 1.00 . A A . 1 GLU H1 1 1 18 7198 1 1 1 GLU H2 H 0.618 -2.525 4.178 1.00 . A A . 1 GLU H2 1 1 18 7199 1 1 1 GLU H3 H 1.760 -3.724 4.630 1.00 . A A . 1 GLU H3 1 1 18 7200 1 1 1 GLU HA H 2.422 -2.169 2.824 1.00 . A A . 1 GLU HA 1 1 18 7201 1 1 1 GLU HB2 H 2.425 -5.173 2.626 1.00 . A A . 1 GLU HB2 1 1 18 7202 1 1 1 GLU HB3 H 3.275 -4.184 1.447 1.00 . A A . 1 GLU HB3 1 1 18 7203 1 1 1 GLU HG2 H 4.524 -3.145 3.347 1.00 . A A . 1 GLU HG2 1 1 18 7204 1 1 1 GLU HG3 H 3.782 -4.344 4.405 1.00 . A A . 1 GLU HG3 1 1 18 7205 1 1 1 GLU N N 1.102 -3.401 3.893 1.00 . A A . 1 GLU N 1 1 18 7206 1 1 1 GLU O O 0.107 -3.780 1.225 1.00 . A A . 1 GLU O 1 1 18 7207 1 1 1 GLU OE1 O 5.082 -6.314 3.423 1.00 . A A . 1 GLU OE1 1 1 18 7208 1 1 1 GLU OE2 O 6.175 -4.727 2.366 1.00 . A A . 1 GLU OE2 1 1 18 7209 1 1 2 VAL C C 0.561 -2.842 -1.514 1.00 . A A . 2 VAL C 1 1 18 7210 1 1 2 VAL CA C 0.476 -1.670 -0.540 1.00 . A A . 2 VAL CA 1 1 18 7211 1 1 2 VAL CB C 0.955 -0.383 -1.239 1.00 . A A . 2 VAL CB 1 1 18 7212 1 1 2 VAL CG1 C 2.331 -0.579 -1.860 1.00 . A A . 2 VAL CG1 1 1 18 7213 1 1 2 VAL CG2 C -0.054 0.067 -2.285 1.00 . A A . 2 VAL CG2 1 1 18 7214 1 1 2 VAL H H 1.980 -1.315 0.900 1.00 . A A . 2 VAL H 1 1 18 7215 1 1 2 VAL HA H -0.555 -1.533 -0.247 1.00 . A A . 2 VAL HA 1 1 18 7216 1 1 2 VAL HB H 1.035 0.393 -0.491 1.00 . A A . 2 VAL HB 1 1 18 7217 1 1 2 VAL HG11 H 2.222 -0.974 -2.859 1.00 . A A . 2 VAL HG11 1 1 18 7218 1 1 2 VAL HG12 H 2.901 -1.272 -1.259 1.00 . A A . 2 VAL HG12 1 1 18 7219 1 1 2 VAL HG13 H 2.845 0.369 -1.902 1.00 . A A . 2 VAL HG13 1 1 18 7220 1 1 2 VAL HG21 H -0.995 -0.437 -2.119 1.00 . A A . 2 VAL HG21 1 1 18 7221 1 1 2 VAL HG22 H 0.315 -0.178 -3.270 1.00 . A A . 2 VAL HG22 1 1 18 7222 1 1 2 VAL HG23 H -0.199 1.134 -2.210 1.00 . A A . 2 VAL HG23 1 1 18 7223 1 1 2 VAL N N 1.253 -1.927 0.663 1.00 . A A . 2 VAL N 1 1 18 7224 1 1 2 VAL O O -0.403 -3.152 -2.214 1.00 . A A . 2 VAL O 1 1 18 7225 1 1 3 ARG C C 0.942 -5.746 -2.133 1.00 . A A . 3 ARG C 1 1 18 7226 1 1 3 ARG CA C 1.933 -4.627 -2.437 1.00 . A A . 3 ARG CA 1 1 18 7227 1 1 3 ARG CB C 3.365 -5.147 -2.301 1.00 . A A . 3 ARG CB 1 1 18 7228 1 1 3 ARG CD C 4.718 -4.911 -4.405 1.00 . A A . 3 ARG CD 1 1 18 7229 1 1 3 ARG CG C 3.881 -5.846 -3.548 1.00 . A A . 3 ARG CG 1 1 18 7230 1 1 3 ARG CZ C 5.572 -4.869 -6.716 1.00 . A A . 3 ARG CZ 1 1 18 7231 1 1 3 ARG H H 2.452 -3.195 -0.968 1.00 . A A . 3 ARG H 1 1 18 7232 1 1 3 ARG HA H 1.777 -4.291 -3.452 1.00 . A A . 3 ARG HA 1 1 18 7233 1 1 3 ARG HB2 H 4.019 -4.315 -2.084 1.00 . A A . 3 ARG HB2 1 1 18 7234 1 1 3 ARG HB3 H 3.404 -5.848 -1.479 1.00 . A A . 3 ARG HB3 1 1 18 7235 1 1 3 ARG HD2 H 4.338 -3.906 -4.295 1.00 . A A . 3 ARG HD2 1 1 18 7236 1 1 3 ARG HD3 H 5.741 -4.947 -4.060 1.00 . A A . 3 ARG HD3 1 1 18 7237 1 1 3 ARG HE H 3.951 -5.865 -6.113 1.00 . A A . 3 ARG HE 1 1 18 7238 1 1 3 ARG HG2 H 4.488 -6.688 -3.252 1.00 . A A . 3 ARG HG2 1 1 18 7239 1 1 3 ARG HG3 H 3.038 -6.194 -4.128 1.00 . A A . 3 ARG HG3 1 1 18 7240 1 1 3 ARG HH11 H 6.660 -3.784 -5.401 1.00 . A A . 3 ARG HH11 1 1 18 7241 1 1 3 ARG HH12 H 7.239 -3.771 -7.033 1.00 . A A . 3 ARG HH12 1 1 18 7242 1 1 3 ARG HH21 H 4.711 -5.850 -8.260 1.00 . A A . 3 ARG HH21 1 1 18 7243 1 1 3 ARG HH22 H 6.133 -4.943 -8.656 1.00 . A A . 3 ARG HH22 1 1 18 7244 1 1 3 ARG N N 1.721 -3.489 -1.551 1.00 . A A . 3 ARG N 1 1 18 7245 1 1 3 ARG NE N 4.680 -5.280 -5.818 1.00 . A A . 3 ARG NE 1 1 18 7246 1 1 3 ARG NH1 N 6.572 -4.076 -6.353 1.00 . A A . 3 ARG NH1 1 1 18 7247 1 1 3 ARG NH2 N 5.463 -5.252 -7.981 1.00 . A A . 3 ARG NH2 1 1 18 7248 1 1 3 ARG O O 0.576 -6.522 -3.016 1.00 . A A . 3 ARG O 1 1 18 7249 1 1 4 ALA C C -1.869 -6.321 -0.442 1.00 . A A . 4 ALA C 1 1 18 7250 1 1 4 ALA CA C -0.436 -6.851 -0.459 1.00 . A A . 4 ALA CA 1 1 18 7251 1 1 4 ALA CB C -0.056 -7.392 0.911 1.00 . A A . 4 ALA CB 1 1 18 7252 1 1 4 ALA H H 0.839 -5.179 -0.217 1.00 . A A . 4 ALA H 1 1 18 7253 1 1 4 ALA HA H -0.377 -7.662 -1.168 1.00 . A A . 4 ALA HA 1 1 18 7254 1 1 4 ALA HB1 H 0.794 -8.050 0.815 1.00 . A A . 4 ALA HB1 1 1 18 7255 1 1 4 ALA HB2 H -0.890 -7.939 1.326 1.00 . A A . 4 ALA HB2 1 1 18 7256 1 1 4 ALA HB3 H 0.196 -6.570 1.565 1.00 . A A . 4 ALA HB3 1 1 18 7257 1 1 4 ALA N N 0.512 -5.825 -0.877 1.00 . A A . 4 ALA N 1 1 18 7258 1 1 4 ALA O O -2.799 -7.041 -0.079 1.00 . A A . 4 ALA O 1 1 18 7259 1 1 5 CYS C C -4.178 -4.967 -2.050 1.00 . A A . 5 CYS C 1 1 18 7260 1 1 5 CYS CA C -3.366 -4.452 -0.868 1.00 . A A . 5 CYS CA 1 1 18 7261 1 1 5 CYS CB C -3.255 -2.932 -0.955 1.00 . A A . 5 CYS CB 1 1 18 7262 1 1 5 CYS H H -1.270 -4.538 -1.120 1.00 . A A . 5 CYS H 1 1 18 7263 1 1 5 CYS HA H -3.873 -4.712 0.050 1.00 . A A . 5 CYS HA 1 1 18 7264 1 1 5 CYS HB2 H -2.516 -2.590 -0.252 1.00 . A A . 5 CYS HB2 1 1 18 7265 1 1 5 CYS HB3 H -2.951 -2.656 -1.953 1.00 . A A . 5 CYS HB3 1 1 18 7266 1 1 5 CYS N N -2.044 -5.064 -0.839 1.00 . A A . 5 CYS N 1 1 18 7267 1 1 5 CYS O O -3.622 -5.488 -3.018 1.00 . A A . 5 CYS O 1 1 18 7268 1 1 5 CYS SG S -4.810 -2.064 -0.588 1.00 . A A . 5 CYS SG 1 1 18 7269 1 1 6 SER C C -7.119 -4.058 -3.656 1.00 . A A . 6 SER C 1 1 18 7270 1 1 6 SER CA C -6.381 -5.246 -3.041 1.00 . A A . 6 SER CA 1 1 18 7271 1 1 6 SER CB C -7.388 -6.268 -2.511 1.00 . A A . 6 SER CB 1 1 18 7272 1 1 6 SER H H -5.878 -4.381 -1.179 1.00 . A A . 6 SER H 1 1 18 7273 1 1 6 SER HA H -5.776 -5.713 -3.804 1.00 . A A . 6 SER HA 1 1 18 7274 1 1 6 SER HB2 H -8.119 -6.481 -3.277 1.00 . A A . 6 SER HB2 1 1 18 7275 1 1 6 SER HB3 H -6.869 -7.177 -2.245 1.00 . A A . 6 SER HB3 1 1 18 7276 1 1 6 SER HG H -7.419 -5.560 -0.684 1.00 . A A . 6 SER HG 1 1 18 7277 1 1 6 SER N N -5.494 -4.808 -1.972 1.00 . A A . 6 SER N 1 1 18 7278 1 1 6 SER O O -8.143 -4.230 -4.317 1.00 . A A . 6 SER O 1 1 18 7279 1 1 6 SER OG O -8.061 -5.774 -1.365 1.00 . A A . 6 SER OG 1 1 18 7280 1 1 7 LEU C C -6.424 -1.098 -5.160 1.00 . A A . 7 LEU C 1 1 18 7281 1 1 7 LEU CA C -7.215 -1.644 -3.973 1.00 . A A . 7 LEU CA 1 1 18 7282 1 1 7 LEU CB C -7.324 -0.570 -2.888 1.00 . A A . 7 LEU CB 1 1 18 7283 1 1 7 LEU CD1 C -7.558 -0.496 -0.387 1.00 . A A . 7 LEU CD1 1 1 18 7284 1 1 7 LEU CD2 C -9.588 -0.321 -1.841 1.00 . A A . 7 LEU CD2 1 1 18 7285 1 1 7 LEU CG C -8.206 -0.940 -1.692 1.00 . A A . 7 LEU CG 1 1 18 7286 1 1 7 LEU H H -5.776 -2.772 -2.901 1.00 . A A . 7 LEU H 1 1 18 7287 1 1 7 LEU HA H -8.208 -1.905 -4.307 1.00 . A A . 7 LEU HA 1 1 18 7288 1 1 7 LEU HB2 H -6.330 -0.352 -2.526 1.00 . A A . 7 LEU HB2 1 1 18 7289 1 1 7 LEU HB3 H -7.725 0.325 -3.339 1.00 . A A . 7 LEU HB3 1 1 18 7290 1 1 7 LEU HD11 H -8.259 0.098 0.180 1.00 . A A . 7 LEU HD11 1 1 18 7291 1 1 7 LEU HD12 H -6.679 0.094 -0.603 1.00 . A A . 7 LEU HD12 1 1 18 7292 1 1 7 LEU HD13 H -7.276 -1.365 0.187 1.00 . A A . 7 LEU HD13 1 1 18 7293 1 1 7 LEU HD21 H -9.522 0.747 -1.690 1.00 . A A . 7 LEU HD21 1 1 18 7294 1 1 7 LEU HD22 H -10.255 -0.748 -1.107 1.00 . A A . 7 LEU HD22 1 1 18 7295 1 1 7 LEU HD23 H -9.967 -0.521 -2.832 1.00 . A A . 7 LEU HD23 1 1 18 7296 1 1 7 LEU HG H -8.321 -2.013 -1.658 1.00 . A A . 7 LEU HG 1 1 18 7297 1 1 7 LEU N N -6.596 -2.852 -3.436 1.00 . A A . 7 LEU N 1 1 18 7298 1 1 7 LEU O O -5.195 -1.174 -5.184 1.00 . A A . 7 LEU O 1 1 18 7299 1 1 8 PRO C C -5.895 1.424 -7.087 1.00 . A A . 8 PRO C 1 1 18 7300 1 1 8 PRO CA C -6.478 0.036 -7.348 1.00 . A A . 8 PRO CA 1 1 18 7301 1 1 8 PRO CB C -7.626 0.118 -8.349 1.00 . A A . 8 PRO CB 1 1 18 7302 1 1 8 PRO CD C -8.590 -0.391 -6.211 1.00 . A A . 8 PRO CD 1 1 18 7303 1 1 8 PRO CG C -8.838 0.334 -7.510 1.00 . A A . 8 PRO CG 1 1 18 7304 1 1 8 PRO HA H -5.705 -0.614 -7.731 1.00 . A A . 8 PRO HA 1 1 18 7305 1 1 8 PRO HB2 H -7.460 0.943 -9.027 1.00 . A A . 8 PRO HB2 1 1 18 7306 1 1 8 PRO HB3 H -7.692 -0.805 -8.905 1.00 . A A . 8 PRO HB3 1 1 18 7307 1 1 8 PRO HD2 H -8.949 0.195 -5.378 1.00 . A A . 8 PRO HD2 1 1 18 7308 1 1 8 PRO HD3 H -9.067 -1.360 -6.225 1.00 . A A . 8 PRO HD3 1 1 18 7309 1 1 8 PRO HG2 H -8.973 1.390 -7.327 1.00 . A A . 8 PRO HG2 1 1 18 7310 1 1 8 PRO HG3 H -9.706 -0.075 -8.006 1.00 . A A . 8 PRO HG3 1 1 18 7311 1 1 8 PRO N N -7.120 -0.531 -6.161 1.00 . A A . 8 PRO N 1 1 18 7312 1 1 8 PRO O O -5.171 1.970 -7.919 1.00 . A A . 8 PRO O 1 1 18 7313 1 1 9 HIS C C -4.306 3.226 -5.012 1.00 . A A . 9 HIS C 1 1 18 7314 1 1 9 HIS CA C -5.726 3.311 -5.552 1.00 . A A . 9 HIS CA 1 1 18 7315 1 1 9 HIS CB C -6.634 3.933 -4.491 1.00 . A A . 9 HIS CB 1 1 18 7316 1 1 9 HIS CD2 C -5.372 6.050 -3.691 1.00 . A A . 9 HIS CD2 1 1 18 7317 1 1 9 HIS CE1 C -6.794 7.561 -4.400 1.00 . A A . 9 HIS CE1 1 1 18 7318 1 1 9 HIS CG C -6.396 5.397 -4.288 1.00 . A A . 9 HIS CG 1 1 18 7319 1 1 9 HIS H H -6.795 1.505 -5.302 1.00 . A A . 9 HIS H 1 1 18 7320 1 1 9 HIS HA H -5.732 3.934 -6.434 1.00 . A A . 9 HIS HA 1 1 18 7321 1 1 9 HIS HB2 H -7.664 3.798 -4.780 1.00 . A A . 9 HIS HB2 1 1 18 7322 1 1 9 HIS HB3 H -6.461 3.437 -3.545 1.00 . A A . 9 HIS HB3 1 1 18 7323 1 1 9 HIS HD1 H -8.115 6.214 -5.193 1.00 . A A . 9 HIS HD1 1 1 18 7324 1 1 9 HIS HD2 H -4.502 5.597 -3.235 1.00 . A A . 9 HIS HD2 1 1 18 7325 1 1 9 HIS HE1 H -7.266 8.509 -4.612 1.00 . A A . 9 HIS HE1 1 1 18 7326 1 1 9 HIS HE2 H -5.122 8.107 -3.351 1.00 . A A . 9 HIS HE2 1 1 18 7327 1 1 9 HIS N N -6.216 1.989 -5.925 1.00 . A A . 9 HIS N 1 1 18 7328 1 1 9 HIS ND1 N -7.271 6.371 -4.721 1.00 . A A . 9 HIS ND1 1 1 18 7329 1 1 9 HIS NE2 N -5.643 7.394 -3.774 1.00 . A A . 9 HIS NE2 1 1 18 7330 1 1 9 HIS O O -3.400 3.906 -5.492 1.00 . A A . 9 HIS O 1 1 18 7331 1 1 10 CYS C C -1.813 1.669 -4.386 1.00 . A A . 10 CYS C 1 1 18 7332 1 1 10 CYS CA C -2.829 2.196 -3.379 1.00 . A A . 10 CYS CA 1 1 18 7333 1 1 10 CYS CB C -2.947 1.233 -2.196 1.00 . A A . 10 CYS CB 1 1 18 7334 1 1 10 CYS H H -4.897 1.875 -3.672 1.00 . A A . 10 CYS H 1 1 18 7335 1 1 10 CYS HA H -2.494 3.156 -3.017 1.00 . A A . 10 CYS HA 1 1 18 7336 1 1 10 CYS HB2 H -2.984 0.222 -2.570 1.00 . A A . 10 CYS HB2 1 1 18 7337 1 1 10 CYS HB3 H -2.079 1.344 -1.562 1.00 . A A . 10 CYS HB3 1 1 18 7338 1 1 10 CYS N N -4.129 2.384 -4.005 1.00 . A A . 10 CYS N 1 1 18 7339 1 1 10 CYS O O -0.614 1.920 -4.262 1.00 . A A . 10 CYS O 1 1 18 7340 1 1 10 CYS SG S -4.427 1.494 -1.162 1.00 . A A . 10 CYS SG 1 1 18 7341 1 1 11 ARG C C -0.869 1.494 -7.302 1.00 . A A . 11 ARG C 1 1 18 7342 1 1 11 ARG CA C -1.429 0.386 -6.416 1.00 . A A . 11 ARG CA 1 1 18 7343 1 1 11 ARG CB C -2.194 -0.629 -7.268 1.00 . A A . 11 ARG CB 1 1 18 7344 1 1 11 ARG CD C -1.045 -1.150 -9.442 1.00 . A A . 11 ARG CD 1 1 18 7345 1 1 11 ARG CG C -1.292 -1.602 -8.011 1.00 . A A . 11 ARG CG 1 1 18 7346 1 1 11 ARG CZ C -0.015 -3.192 -10.359 1.00 . A A . 11 ARG CZ 1 1 18 7347 1 1 11 ARG H H -3.265 0.777 -5.436 1.00 . A A . 11 ARG H 1 1 18 7348 1 1 11 ARG HA H -0.609 -0.115 -5.923 1.00 . A A . 11 ARG HA 1 1 18 7349 1 1 11 ARG HB2 H -2.850 -1.199 -6.626 1.00 . A A . 11 ARG HB2 1 1 18 7350 1 1 11 ARG HB3 H -2.789 -0.097 -7.995 1.00 . A A . 11 ARG HB3 1 1 18 7351 1 1 11 ARG HD2 H -1.849 -0.494 -9.742 1.00 . A A . 11 ARG HD2 1 1 18 7352 1 1 11 ARG HD3 H -0.109 -0.612 -9.479 1.00 . A A . 11 ARG HD3 1 1 18 7353 1 1 11 ARG HE H -1.698 -2.358 -11.033 1.00 . A A . 11 ARG HE 1 1 18 7354 1 1 11 ARG HG2 H -0.346 -1.665 -7.496 1.00 . A A . 11 ARG HG2 1 1 18 7355 1 1 11 ARG HG3 H -1.763 -2.574 -8.026 1.00 . A A . 11 ARG HG3 1 1 18 7356 1 1 11 ARG HH11 H 0.991 -2.369 -8.809 1.00 . A A . 11 ARG HH11 1 1 18 7357 1 1 11 ARG HH12 H 1.695 -3.806 -9.472 1.00 . A A . 11 ARG HH12 1 1 18 7358 1 1 11 ARG HH21 H -0.775 -4.248 -11.906 1.00 . A A . 11 ARG HH21 1 1 18 7359 1 1 11 ARG HH22 H 0.693 -4.873 -11.230 1.00 . A A . 11 ARG HH22 1 1 18 7360 1 1 11 ARG N N -2.299 0.941 -5.387 1.00 . A A . 11 ARG N 1 1 18 7361 1 1 11 ARG NE N -0.982 -2.278 -10.369 1.00 . A A . 11 ARG NE 1 1 18 7362 1 1 11 ARG NH1 N 0.971 -3.116 -9.474 1.00 . A A . 11 ARG NH1 1 1 18 7363 1 1 11 ARG NH2 N -0.034 -4.186 -11.237 1.00 . A A . 11 ARG NH2 1 1 18 7364 1 1 11 ARG O O -1.419 1.794 -8.361 1.00 . A A . 11 ARG O 1 1 18 7365 1 1 12 THR C C 2.315 2.847 -7.925 1.00 . A A . 12 THR C 1 1 18 7366 1 1 12 THR CA C 0.859 3.182 -7.605 1.00 . A A . 12 THR CA 1 1 18 7367 1 1 12 THR CB C 0.781 4.487 -6.809 1.00 . A A . 12 THR CB 1 1 18 7368 1 1 12 THR CG2 C 1.448 5.656 -7.502 1.00 . A A . 12 THR CG2 1 1 18 7369 1 1 12 THR H H 0.615 1.820 -6.003 1.00 . A A . 12 THR H 1 1 18 7370 1 1 12 THR HA H 0.319 3.304 -8.532 1.00 . A A . 12 THR HA 1 1 18 7371 1 1 12 THR HB H 1.270 4.343 -5.856 1.00 . A A . 12 THR HB 1 1 18 7372 1 1 12 THR HG1 H -1.043 4.088 -6.217 1.00 . A A . 12 THR HG1 1 1 18 7373 1 1 12 THR HG21 H 0.760 6.487 -7.549 1.00 . A A . 12 THR HG21 1 1 18 7374 1 1 12 THR HG22 H 1.733 5.367 -8.503 1.00 . A A . 12 THR HG22 1 1 18 7375 1 1 12 THR HG23 H 2.328 5.948 -6.948 1.00 . A A . 12 THR HG23 1 1 18 7376 1 1 12 THR N N 0.226 2.102 -6.857 1.00 . A A . 12 THR N 1 1 18 7377 1 1 12 THR O O 2.632 2.412 -9.032 1.00 . A A . 12 THR O 1 1 18 7378 1 1 12 THR OG1 O -0.568 4.845 -6.567 1.00 . A A . 12 THR OG1 1 1 18 7379 1 1 13 MET C C 5.175 2.008 -5.930 1.00 . A A . 13 MET C 1 1 18 7380 1 1 13 MET CA C 4.614 2.770 -7.128 1.00 . A A . 13 MET CA 1 1 18 7381 1 1 13 MET CB C 5.392 4.071 -7.329 1.00 . A A . 13 MET CB 1 1 18 7382 1 1 13 MET CE C 5.559 5.071 -11.369 1.00 . A A . 13 MET CE 1 1 18 7383 1 1 13 MET CG C 5.101 4.756 -8.655 1.00 . A A . 13 MET CG 1 1 18 7384 1 1 13 MET H H 2.884 3.397 -6.088 1.00 . A A . 13 MET H 1 1 18 7385 1 1 13 MET HA H 4.721 2.157 -8.011 1.00 . A A . 13 MET HA 1 1 18 7386 1 1 13 MET HB2 H 5.139 4.755 -6.532 1.00 . A A . 13 MET HB2 1 1 18 7387 1 1 13 MET HB3 H 6.449 3.856 -7.284 1.00 . A A . 13 MET HB3 1 1 18 7388 1 1 13 MET HE1 H 6.144 4.819 -12.241 1.00 . A A . 13 MET HE1 1 1 18 7389 1 1 13 MET HE2 H 5.489 6.145 -11.281 1.00 . A A . 13 MET HE2 1 1 18 7390 1 1 13 MET HE3 H 4.568 4.653 -11.467 1.00 . A A . 13 MET HE3 1 1 18 7391 1 1 13 MET HG2 H 4.142 4.415 -9.017 1.00 . A A . 13 MET HG2 1 1 18 7392 1 1 13 MET HG3 H 5.064 5.823 -8.493 1.00 . A A . 13 MET HG3 1 1 18 7393 1 1 13 MET N N 3.195 3.051 -6.949 1.00 . A A . 13 MET N 1 1 18 7394 1 1 13 MET O O 6.384 1.994 -5.709 1.00 . A A . 13 MET O 1 1 18 7395 1 1 13 MET SD S 6.348 4.403 -9.907 1.00 . A A . 13 MET SD 1 1 18 7396 1 1 14 LYS C C 4.869 1.516 -2.765 1.00 . A A . 14 LYS C 1 1 18 7397 1 1 14 LYS CA C 4.670 0.607 -3.980 1.00 . A A . 14 LYS CA 1 1 18 7398 1 1 14 LYS CB C 5.935 -0.227 -4.260 1.00 . A A . 14 LYS CB 1 1 18 7399 1 1 14 LYS CD C 8.435 -0.083 -4.508 1.00 . A A . 14 LYS CD 1 1 18 7400 1 1 14 LYS CE C 9.633 -0.337 -3.608 1.00 . A A . 14 LYS CE 1 1 18 7401 1 1 14 LYS CG C 7.224 0.369 -3.708 1.00 . A A . 14 LYS CG 1 1 18 7402 1 1 14 LYS H H 3.333 1.433 -5.396 1.00 . A A . 14 LYS H 1 1 18 7403 1 1 14 LYS HA H 3.857 -0.070 -3.762 1.00 . A A . 14 LYS HA 1 1 18 7404 1 1 14 LYS HB2 H 5.806 -1.206 -3.823 1.00 . A A . 14 LYS HB2 1 1 18 7405 1 1 14 LYS HB3 H 6.046 -0.336 -5.329 1.00 . A A . 14 LYS HB3 1 1 18 7406 1 1 14 LYS HD2 H 8.189 -0.995 -5.029 1.00 . A A . 14 LYS HD2 1 1 18 7407 1 1 14 LYS HD3 H 8.689 0.686 -5.223 1.00 . A A . 14 LYS HD3 1 1 18 7408 1 1 14 LYS HE2 H 9.821 0.550 -3.021 1.00 . A A . 14 LYS HE2 1 1 18 7409 1 1 14 LYS HE3 H 9.404 -1.162 -2.949 1.00 . A A . 14 LYS HE3 1 1 18 7410 1 1 14 LYS HG2 H 7.159 1.446 -3.748 1.00 . A A . 14 LYS HG2 1 1 18 7411 1 1 14 LYS HG3 H 7.341 0.053 -2.683 1.00 . A A . 14 LYS HG3 1 1 18 7412 1 1 14 LYS HZ1 H 11.229 0.190 -4.849 1.00 . A A . 14 LYS HZ1 1 1 18 7413 1 1 14 LYS HZ2 H 10.632 -1.369 -5.125 1.00 . A A . 14 LYS HZ2 1 1 18 7414 1 1 14 LYS HZ3 H 11.587 -1.059 -3.764 1.00 . A A . 14 LYS HZ3 1 1 18 7415 1 1 14 LYS N N 4.283 1.378 -5.162 1.00 . A A . 14 LYS N 1 1 18 7416 1 1 14 LYS NZ N 10.856 -0.667 -4.391 1.00 . A A . 14 LYS NZ 1 1 18 7417 1 1 14 LYS O O 5.503 1.126 -1.784 1.00 . A A . 14 LYS O 1 1 18 7418 1 1 15 ASN C C 3.666 3.185 -0.515 1.00 . A A . 15 ASN C 1 1 18 7419 1 1 15 ASN CA C 4.428 3.678 -1.741 1.00 . A A . 15 ASN CA 1 1 18 7420 1 1 15 ASN CB C 3.889 5.038 -2.183 1.00 . A A . 15 ASN CB 1 1 18 7421 1 1 15 ASN CG C 4.351 5.424 -3.575 1.00 . A A . 15 ASN CG 1 1 18 7422 1 1 15 ASN H H 3.819 2.983 -3.632 1.00 . A A . 15 ASN H 1 1 18 7423 1 1 15 ASN HA H 5.473 3.778 -1.489 1.00 . A A . 15 ASN HA 1 1 18 7424 1 1 15 ASN HB2 H 2.809 5.010 -2.177 1.00 . A A . 15 ASN HB2 1 1 18 7425 1 1 15 ASN HB3 H 4.227 5.788 -1.492 1.00 . A A . 15 ASN HB3 1 1 18 7426 1 1 15 ASN HD21 H 5.971 6.296 -2.822 1.00 . A A . 15 ASN HD21 1 1 18 7427 1 1 15 ASN HD22 H 5.818 6.355 -4.542 1.00 . A A . 15 ASN HD22 1 1 18 7428 1 1 15 ASN N N 4.318 2.725 -2.833 1.00 . A A . 15 ASN N 1 1 18 7429 1 1 15 ASN ND2 N 5.495 6.093 -3.654 1.00 . A A . 15 ASN ND2 1 1 18 7430 1 1 15 ASN O O 2.580 3.675 -0.206 1.00 . A A . 15 ASN O 1 1 18 7431 1 1 15 ASN OD1 O 3.687 5.125 -4.567 1.00 . A A . 15 ASN OD1 1 1 18 7432 1 1 16 VAL C C 3.242 2.716 2.374 1.00 . A A . 16 VAL C 1 1 18 7433 1 1 16 VAL CA C 3.619 1.635 1.366 1.00 . A A . 16 VAL CA 1 1 18 7434 1 1 16 VAL CB C 4.545 0.615 2.050 1.00 . A A . 16 VAL CB 1 1 18 7435 1 1 16 VAL CG1 C 3.805 -0.123 3.155 1.00 . A A . 16 VAL CG1 1 1 18 7436 1 1 16 VAL CG2 C 5.111 -0.362 1.031 1.00 . A A . 16 VAL CG2 1 1 18 7437 1 1 16 VAL H H 5.105 1.855 -0.125 1.00 . A A . 16 VAL H 1 1 18 7438 1 1 16 VAL HA H 2.723 1.120 1.057 1.00 . A A . 16 VAL HA 1 1 18 7439 1 1 16 VAL HB H 5.366 1.153 2.496 1.00 . A A . 16 VAL HB 1 1 18 7440 1 1 16 VAL HG11 H 4.204 -1.122 3.249 1.00 . A A . 16 VAL HG11 1 1 18 7441 1 1 16 VAL HG12 H 2.754 -0.176 2.911 1.00 . A A . 16 VAL HG12 1 1 18 7442 1 1 16 VAL HG13 H 3.932 0.405 4.088 1.00 . A A . 16 VAL HG13 1 1 18 7443 1 1 16 VAL HG21 H 5.381 -1.283 1.526 1.00 . A A . 16 VAL HG21 1 1 18 7444 1 1 16 VAL HG22 H 5.987 0.068 0.568 1.00 . A A . 16 VAL HG22 1 1 18 7445 1 1 16 VAL HG23 H 4.367 -0.564 0.274 1.00 . A A . 16 VAL HG23 1 1 18 7446 1 1 16 VAL N N 4.241 2.206 0.176 1.00 . A A . 16 VAL N 1 1 18 7447 1 1 16 VAL O O 2.257 2.582 3.099 1.00 . A A . 16 VAL O 1 1 18 7448 1 1 17 LEU C C 2.379 5.463 3.106 1.00 . A A . 17 LEU C 1 1 18 7449 1 1 17 LEU CA C 3.766 4.883 3.342 1.00 . A A . 17 LEU CA 1 1 18 7450 1 1 17 LEU CB C 4.825 5.977 3.191 1.00 . A A . 17 LEU CB 1 1 18 7451 1 1 17 LEU CD1 C 7.282 6.454 3.330 1.00 . A A . 17 LEU CD1 1 1 18 7452 1 1 17 LEU CD2 C 5.932 6.239 5.424 1.00 . A A . 17 LEU CD2 1 1 18 7453 1 1 17 LEU CG C 6.107 5.752 3.993 1.00 . A A . 17 LEU CG 1 1 18 7454 1 1 17 LEU H H 4.801 3.841 1.816 1.00 . A A . 17 LEU H 1 1 18 7455 1 1 17 LEU HA H 3.808 4.488 4.341 1.00 . A A . 17 LEU HA 1 1 18 7456 1 1 17 LEU HB2 H 5.087 6.052 2.145 1.00 . A A . 17 LEU HB2 1 1 18 7457 1 1 17 LEU HB3 H 4.391 6.915 3.504 1.00 . A A . 17 LEU HB3 1 1 18 7458 1 1 17 LEU HD11 H 8.019 6.707 4.077 1.00 . A A . 17 LEU HD11 1 1 18 7459 1 1 17 LEU HD12 H 6.936 7.355 2.845 1.00 . A A . 17 LEU HD12 1 1 18 7460 1 1 17 LEU HD13 H 7.725 5.798 2.595 1.00 . A A . 17 LEU HD13 1 1 18 7461 1 1 17 LEU HD21 H 6.886 6.560 5.815 1.00 . A A . 17 LEU HD21 1 1 18 7462 1 1 17 LEU HD22 H 5.546 5.435 6.033 1.00 . A A . 17 LEU HD22 1 1 18 7463 1 1 17 LEU HD23 H 5.239 7.067 5.440 1.00 . A A . 17 LEU HD23 1 1 18 7464 1 1 17 LEU HG H 6.325 4.694 4.023 1.00 . A A . 17 LEU HG 1 1 18 7465 1 1 17 LEU N N 4.029 3.787 2.418 1.00 . A A . 17 LEU N 1 1 18 7466 1 1 17 LEU O O 1.690 5.866 4.043 1.00 . A A . 17 LEU O 1 1 18 7467 1 1 18 ASN C C -0.423 4.995 1.810 1.00 . A A . 18 ASN C 1 1 18 7468 1 1 18 ASN CA C 0.666 6.002 1.467 1.00 . A A . 18 ASN CA 1 1 18 7469 1 1 18 ASN CB C 0.631 6.326 -0.027 1.00 . A A . 18 ASN CB 1 1 18 7470 1 1 18 ASN CG C -0.512 7.254 -0.390 1.00 . A A . 18 ASN CG 1 1 18 7471 1 1 18 ASN H H 2.574 5.141 1.154 1.00 . A A . 18 ASN H 1 1 18 7472 1 1 18 ASN HA H 0.491 6.904 2.029 1.00 . A A . 18 ASN HA 1 1 18 7473 1 1 18 ASN HB2 H 1.558 6.801 -0.309 1.00 . A A . 18 ASN HB2 1 1 18 7474 1 1 18 ASN HB3 H 0.517 5.408 -0.586 1.00 . A A . 18 ASN HB3 1 1 18 7475 1 1 18 ASN HD21 H 0.096 8.574 0.967 1.00 . A A . 18 ASN HD21 1 1 18 7476 1 1 18 ASN HD22 H -1.312 9.016 0.069 1.00 . A A . 18 ASN HD22 1 1 18 7477 1 1 18 ASN N N 1.976 5.487 1.846 1.00 . A A . 18 ASN N 1 1 18 7478 1 1 18 ASN ND2 N -0.583 8.397 0.283 1.00 . A A . 18 ASN ND2 1 1 18 7479 1 1 18 ASN O O -1.518 5.365 2.234 1.00 . A A . 18 ASN O 1 1 18 7480 1 1 18 ASN OD1 O -1.321 6.948 -1.266 1.00 . A A . 18 ASN OD1 1 1 18 7481 1 1 19 HIS C C -1.132 2.382 3.414 1.00 . A A . 19 HIS C 1 1 18 7482 1 1 19 HIS CA C -1.054 2.649 1.912 1.00 . A A . 19 HIS CA 1 1 18 7483 1 1 19 HIS CB C -0.657 1.373 1.157 1.00 . A A . 19 HIS CB 1 1 18 7484 1 1 19 HIS CD2 C -0.748 -0.800 2.548 1.00 . A A . 19 HIS CD2 1 1 18 7485 1 1 19 HIS CE1 C -2.777 -1.385 2.026 1.00 . A A . 19 HIS CE1 1 1 18 7486 1 1 19 HIS CG C -1.275 0.118 1.701 1.00 . A A . 19 HIS CG 1 1 18 7487 1 1 19 HIS H H 0.781 3.494 1.285 1.00 . A A . 19 HIS H 1 1 18 7488 1 1 19 HIS HA H -2.024 2.969 1.570 1.00 . A A . 19 HIS HA 1 1 18 7489 1 1 19 HIS HB2 H -0.958 1.469 0.126 1.00 . A A . 19 HIS HB2 1 1 18 7490 1 1 19 HIS HB3 H 0.416 1.261 1.201 1.00 . A A . 19 HIS HB3 1 1 18 7491 1 1 19 HIS HD2 H 0.234 -0.781 2.992 1.00 . A A . 19 HIS HD2 1 1 18 7492 1 1 19 HIS HE1 H -3.712 -1.923 1.999 1.00 . A A . 19 HIS HE1 1 1 18 7493 1 1 19 HIS HE2 H -1.571 -2.632 3.163 1.00 . A A . 19 HIS HE2 1 1 18 7494 1 1 19 HIS N N -0.110 3.720 1.624 1.00 . A A . 19 HIS N 1 1 18 7495 1 1 19 HIS ND1 N -2.556 -0.262 1.378 1.00 . A A . 19 HIS ND1 1 1 18 7496 1 1 19 HIS NE2 N -1.710 -1.755 2.748 1.00 . A A . 19 HIS NE2 1 1 18 7497 1 1 19 HIS O O -2.106 1.812 3.901 1.00 . A A . 19 HIS O 1 1 18 7498 1 1 20 MET C C -0.699 3.782 6.327 1.00 . A A . 20 MET C 1 1 18 7499 1 1 20 MET CA C -0.078 2.598 5.591 1.00 . A A . 20 MET CA 1 1 18 7500 1 1 20 MET CB C 1.359 2.379 6.070 1.00 . A A . 20 MET CB 1 1 18 7501 1 1 20 MET CE C 3.233 -1.135 7.195 1.00 . A A . 20 MET CE 1 1 18 7502 1 1 20 MET CG C 1.802 0.926 6.019 1.00 . A A . 20 MET CG 1 1 18 7503 1 1 20 MET H H 0.646 3.249 3.710 1.00 . A A . 20 MET H 1 1 18 7504 1 1 20 MET HA H -0.659 1.716 5.810 1.00 . A A . 20 MET HA 1 1 18 7505 1 1 20 MET HB2 H 2.026 2.959 5.449 1.00 . A A . 20 MET HB2 1 1 18 7506 1 1 20 MET HB3 H 1.442 2.723 7.091 1.00 . A A . 20 MET HB3 1 1 18 7507 1 1 20 MET HE1 H 2.197 -1.434 7.258 1.00 . A A . 20 MET HE1 1 1 18 7508 1 1 20 MET HE2 H 3.738 -1.391 8.115 1.00 . A A . 20 MET HE2 1 1 18 7509 1 1 20 MET HE3 H 3.706 -1.648 6.371 1.00 . A A . 20 MET HE3 1 1 18 7510 1 1 20 MET HG2 H 1.023 0.311 6.444 1.00 . A A . 20 MET HG2 1 1 18 7511 1 1 20 MET HG3 H 1.956 0.647 4.987 1.00 . A A . 20 MET HG3 1 1 18 7512 1 1 20 MET N N -0.106 2.798 4.147 1.00 . A A . 20 MET N 1 1 18 7513 1 1 20 MET O O -0.485 3.959 7.527 1.00 . A A . 20 MET O 1 1 18 7514 1 1 20 MET SD S 3.329 0.634 6.932 1.00 . A A . 20 MET SD 1 1 18 7515 1 1 21 THR C C -3.652 5.626 6.098 1.00 . A A . 21 THR C 1 1 18 7516 1 1 21 THR CA C -2.127 5.746 6.194 1.00 . A A . 21 THR CA 1 1 18 7517 1 1 21 THR CB C -1.628 7.031 5.509 1.00 . A A . 21 THR CB 1 1 18 7518 1 1 21 THR CG2 C -2.727 8.005 5.128 1.00 . A A . 21 THR CG2 1 1 18 7519 1 1 21 THR H H -1.611 4.401 4.662 1.00 . A A . 21 THR H 1 1 18 7520 1 1 21 THR HA H -1.850 5.777 7.232 1.00 . A A . 21 THR HA 1 1 18 7521 1 1 21 THR HB H -1.101 6.759 4.606 1.00 . A A . 21 THR HB 1 1 18 7522 1 1 21 THR HG1 H -0.284 8.413 5.852 1.00 . A A . 21 THR HG1 1 1 18 7523 1 1 21 THR HG21 H -3.253 8.320 6.016 1.00 . A A . 21 THR HG21 1 1 18 7524 1 1 21 THR HG22 H -3.418 7.522 4.453 1.00 . A A . 21 THR HG22 1 1 18 7525 1 1 21 THR HG23 H -2.292 8.866 4.642 1.00 . A A . 21 THR HG23 1 1 18 7526 1 1 21 THR N N -1.474 4.589 5.607 1.00 . A A . 21 THR N 1 1 18 7527 1 1 21 THR O O -4.380 6.462 6.634 1.00 . A A . 21 THR O 1 1 18 7528 1 1 21 THR OG1 O -0.726 7.724 6.353 1.00 . A A . 21 THR OG1 1 1 18 7529 1 1 22 HIS C C -5.958 2.910 5.297 1.00 . A A . 22 HIS C 1 1 18 7530 1 1 22 HIS CA C -5.572 4.385 5.258 1.00 . A A . 22 HIS CA 1 1 18 7531 1 1 22 HIS CB C -6.061 4.997 3.942 1.00 . A A . 22 HIS CB 1 1 18 7532 1 1 22 HIS CD2 C -4.841 3.290 2.378 1.00 . A A . 22 HIS CD2 1 1 18 7533 1 1 22 HIS CE1 C -4.384 4.663 0.734 1.00 . A A . 22 HIS CE1 1 1 18 7534 1 1 22 HIS CG C -5.326 4.516 2.721 1.00 . A A . 22 HIS CG 1 1 18 7535 1 1 22 HIS H H -3.510 3.952 5.003 1.00 . A A . 22 HIS H 1 1 18 7536 1 1 22 HIS HA H -6.063 4.891 6.076 1.00 . A A . 22 HIS HA 1 1 18 7537 1 1 22 HIS HB2 H -7.105 4.758 3.811 1.00 . A A . 22 HIS HB2 1 1 18 7538 1 1 22 HIS HB3 H -5.949 6.071 3.994 1.00 . A A . 22 HIS HB3 1 1 18 7539 1 1 22 HIS HD1 H -5.237 6.303 1.609 1.00 . A A . 22 HIS HD1 1 1 18 7540 1 1 22 HIS HD2 H -4.914 2.375 2.953 1.00 . A A . 22 HIS HD2 1 1 18 7541 1 1 22 HIS HE1 H -4.037 5.053 -0.212 1.00 . A A . 22 HIS HE1 1 1 18 7542 1 1 22 HIS HE2 H -3.633 2.771 0.758 1.00 . A A . 22 HIS HE2 1 1 18 7543 1 1 22 HIS N N -4.132 4.588 5.413 1.00 . A A . 22 HIS N 1 1 18 7544 1 1 22 HIS ND1 N -5.020 5.349 1.666 1.00 . A A . 22 HIS ND1 1 1 18 7545 1 1 22 HIS NE2 N -4.259 3.415 1.142 1.00 . A A . 22 HIS NE2 1 1 18 7546 1 1 22 HIS O O -7.111 2.572 5.563 1.00 . A A . 22 HIS O 1 1 18 7547 1 1 23 CYS C C -4.702 -0.076 6.206 1.00 . A A . 23 CYS C 1 1 18 7548 1 1 23 CYS CA C -5.266 0.616 4.969 1.00 . A A . 23 CYS CA 1 1 18 7549 1 1 23 CYS CB C -4.635 0.049 3.706 1.00 . A A . 23 CYS CB 1 1 18 7550 1 1 23 CYS H H -4.114 2.351 4.768 1.00 . A A . 23 CYS H 1 1 18 7551 1 1 23 CYS HA H -6.333 0.466 4.930 1.00 . A A . 23 CYS HA 1 1 18 7552 1 1 23 CYS HB2 H -3.820 0.690 3.409 1.00 . A A . 23 CYS HB2 1 1 18 7553 1 1 23 CYS HB3 H -4.248 -0.928 3.917 1.00 . A A . 23 CYS HB3 1 1 18 7554 1 1 23 CYS N N -5.007 2.036 5.000 1.00 . A A . 23 CYS N 1 1 18 7555 1 1 23 CYS O O -3.884 0.492 6.929 1.00 . A A . 23 CYS O 1 1 18 7556 1 1 23 CYS SG S -5.771 -0.077 2.284 1.00 . A A . 23 CYS SG 1 1 18 7557 1 1 24 GLN C C -3.778 -3.219 7.155 1.00 . A A . 24 GLN C 1 1 18 7558 1 1 24 GLN CA C -4.687 -2.076 7.594 1.00 . A A . 24 GLN CA 1 1 18 7559 1 1 24 GLN CB C -5.881 -2.629 8.374 1.00 . A A . 24 GLN CB 1 1 18 7560 1 1 24 GLN CD C -7.772 -2.141 9.975 1.00 . A A . 24 GLN CD 1 1 18 7561 1 1 24 GLN CG C -6.504 -1.622 9.326 1.00 . A A . 24 GLN CG 1 1 18 7562 1 1 24 GLN H H -5.799 -1.705 5.831 1.00 . A A . 24 GLN H 1 1 18 7563 1 1 24 GLN HA H -4.126 -1.412 8.234 1.00 . A A . 24 GLN HA 1 1 18 7564 1 1 24 GLN HB2 H -6.638 -2.946 7.673 1.00 . A A . 24 GLN HB2 1 1 18 7565 1 1 24 GLN HB3 H -5.555 -3.483 8.950 1.00 . A A . 24 GLN HB3 1 1 18 7566 1 1 24 GLN HE21 H -8.711 -2.112 8.223 1.00 . A A . 24 GLN HE21 1 1 18 7567 1 1 24 GLN HE22 H -9.649 -2.656 9.567 1.00 . A A . 24 GLN HE22 1 1 18 7568 1 1 24 GLN HG2 H -5.791 -1.389 10.102 1.00 . A A . 24 GLN HG2 1 1 18 7569 1 1 24 GLN HG3 H -6.741 -0.723 8.775 1.00 . A A . 24 GLN HG3 1 1 18 7570 1 1 24 GLN N N -5.147 -1.306 6.444 1.00 . A A . 24 GLN N 1 1 18 7571 1 1 24 GLN NE2 N -8.816 -2.321 9.174 1.00 . A A . 24 GLN NE2 1 1 18 7572 1 1 24 GLN O O -3.546 -3.416 5.961 1.00 . A A . 24 GLN O 1 1 18 7573 1 1 24 GLN OE1 O -7.813 -2.378 11.182 1.00 . A A . 24 GLN OE1 1 1 18 7574 1 1 25 ALA C C -0.933 -4.636 7.699 1.00 . A A . 25 ALA C 1 1 18 7575 1 1 25 ALA CA C -2.375 -5.100 7.865 1.00 . A A . 25 ALA CA 1 1 18 7576 1 1 25 ALA CB C -2.829 -5.878 6.635 1.00 . A A . 25 ALA CB 1 1 18 7577 1 1 25 ALA H H -3.490 -3.753 9.060 1.00 . A A . 25 ALA H 1 1 18 7578 1 1 25 ALA HA H -2.427 -5.764 8.716 1.00 . A A . 25 ALA HA 1 1 18 7579 1 1 25 ALA HB1 H -3.897 -5.768 6.513 1.00 . A A . 25 ALA HB1 1 1 18 7580 1 1 25 ALA HB2 H -2.588 -6.924 6.761 1.00 . A A . 25 ALA HB2 1 1 18 7581 1 1 25 ALA HB3 H -2.325 -5.496 5.760 1.00 . A A . 25 ALA HB3 1 1 18 7582 1 1 25 ALA N N -3.264 -3.968 8.131 1.00 . A A . 25 ALA N 1 1 18 7583 1 1 25 ALA O O -0.674 -3.463 7.431 1.00 . A A . 25 ALA O 1 1 18 7584 1 1 26 GLY C C 2.261 -5.855 8.814 1.00 . A A . 26 GLY C 1 1 18 7585 1 1 26 GLY CA C 1.410 -5.232 7.726 1.00 . A A . 26 GLY CA 1 1 18 7586 1 1 26 GLY H H -0.261 -6.484 8.073 1.00 . A A . 26 GLY H 1 1 18 7587 1 1 26 GLY HA2 H 1.761 -5.580 6.765 1.00 . A A . 26 GLY HA2 1 1 18 7588 1 1 26 GLY HA3 H 1.520 -4.158 7.769 1.00 . A A . 26 GLY HA3 1 1 18 7589 1 1 26 GLY N N 0.004 -5.565 7.861 1.00 . A A . 26 GLY N 1 1 18 7590 1 1 26 GLY O O 2.899 -6.886 8.598 1.00 . A A . 26 GLY O 1 1 18 7591 1 1 27 LYS C C 2.367 -5.401 12.436 1.00 . A A . 27 LYS C 1 1 18 7592 1 1 27 LYS CA C 3.051 -5.728 11.113 1.00 . A A . 27 LYS CA 1 1 18 7593 1 1 27 LYS CB C 4.459 -5.130 11.091 1.00 . A A . 27 LYS CB 1 1 18 7594 1 1 27 LYS CD C 6.185 -6.952 11.213 1.00 . A A . 27 LYS CD 1 1 18 7595 1 1 27 LYS CE C 5.563 -8.320 11.446 1.00 . A A . 27 LYS CE 1 1 18 7596 1 1 27 LYS CG C 5.447 -5.867 11.980 1.00 . A A . 27 LYS CG 1 1 18 7597 1 1 27 LYS H H 1.743 -4.411 10.096 1.00 . A A . 27 LYS H 1 1 18 7598 1 1 27 LYS HA H 3.125 -6.801 11.015 1.00 . A A . 27 LYS HA 1 1 18 7599 1 1 27 LYS HB2 H 4.832 -5.153 10.078 1.00 . A A . 27 LYS HB2 1 1 18 7600 1 1 27 LYS HB3 H 4.406 -4.103 11.422 1.00 . A A . 27 LYS HB3 1 1 18 7601 1 1 27 LYS HD2 H 6.144 -6.725 10.158 1.00 . A A . 27 LYS HD2 1 1 18 7602 1 1 27 LYS HD3 H 7.214 -6.974 11.539 1.00 . A A . 27 LYS HD3 1 1 18 7603 1 1 27 LYS HE2 H 5.040 -8.307 12.391 1.00 . A A . 27 LYS HE2 1 1 18 7604 1 1 27 LYS HE3 H 4.861 -8.522 10.650 1.00 . A A . 27 LYS HE3 1 1 18 7605 1 1 27 LYS HG2 H 6.167 -5.160 12.365 1.00 . A A . 27 LYS HG2 1 1 18 7606 1 1 27 LYS HG3 H 4.910 -6.320 12.801 1.00 . A A . 27 LYS HG3 1 1 18 7607 1 1 27 LYS HZ1 H 6.810 -9.708 10.507 1.00 . A A . 27 LYS HZ1 1 1 18 7608 1 1 27 LYS HZ2 H 6.235 -10.214 12.015 1.00 . A A . 27 LYS HZ2 1 1 18 7609 1 1 27 LYS HZ3 H 7.460 -9.051 11.925 1.00 . A A . 27 LYS HZ3 1 1 18 7610 1 1 27 LYS N N 2.272 -5.229 9.986 1.00 . A A . 27 LYS N 1 1 18 7611 1 1 27 LYS NZ N 6.588 -9.399 11.476 1.00 . A A . 27 LYS NZ 1 1 18 7612 1 1 27 LYS O O 1.869 -6.340 13.092 1.00 . A A . 27 LYS O 1 1 18 7613 1 1 27 LYS OXT O 2.336 -4.208 12.805 1.00 . A A . 27 LYS OXT 1 1 18 7614 2 2 1 ZN ZN ZN -4.333 -0.106 0.480 1.00 . B A . 28 ZN ZN 1 1 19 7615 1 1 1 GLU C C 1.152 -2.832 1.287 1.00 . A A . 1 GLU C 1 1 19 7616 1 1 1 GLU CA C 2.011 -2.927 2.540 1.00 . A A . 1 GLU CA 1 1 19 7617 1 1 1 GLU CB C 2.992 -4.095 2.423 1.00 . A A . 1 GLU CB 1 1 19 7618 1 1 1 GLU CD C 5.094 -5.199 3.285 1.00 . A A . 1 GLU CD 1 1 19 7619 1 1 1 GLU CG C 4.129 -4.038 3.429 1.00 . A A . 1 GLU CG 1 1 19 7620 1 1 1 GLU H1 H 0.465 -3.855 3.532 1.00 . A A . 1 GLU H1 1 1 19 7621 1 1 1 GLU H2 H 0.724 -2.219 3.981 1.00 . A A . 1 GLU H2 1 1 19 7622 1 1 1 GLU H3 H 1.802 -3.441 4.522 1.00 . A A . 1 GLU H3 1 1 19 7623 1 1 1 GLU HA H 2.565 -2.006 2.652 1.00 . A A . 1 GLU HA 1 1 19 7624 1 1 1 GLU HB2 H 2.453 -5.019 2.572 1.00 . A A . 1 GLU HB2 1 1 19 7625 1 1 1 GLU HB3 H 3.418 -4.094 1.430 1.00 . A A . 1 GLU HB3 1 1 19 7626 1 1 1 GLU HG2 H 4.674 -3.117 3.286 1.00 . A A . 1 GLU HG2 1 1 19 7627 1 1 1 GLU HG3 H 3.712 -4.058 4.426 1.00 . A A . 1 GLU HG3 1 1 19 7628 1 1 1 GLU N N 1.175 -3.129 3.753 1.00 . A A . 1 GLU N 1 1 19 7629 1 1 1 GLU O O 0.243 -3.635 1.078 1.00 . A A . 1 GLU O 1 1 19 7630 1 1 1 GLU OE1 O 5.595 -5.418 2.162 1.00 . A A . 1 GLU OE1 1 1 19 7631 1 1 1 GLU OE2 O 5.348 -5.889 4.294 1.00 . A A . 1 GLU OE2 1 1 19 7632 1 1 2 VAL C C 0.790 -2.841 -1.690 1.00 . A A . 2 VAL C 1 1 19 7633 1 1 2 VAL CA C 0.709 -1.622 -0.776 1.00 . A A . 2 VAL CA 1 1 19 7634 1 1 2 VAL CB C 1.239 -0.382 -1.522 1.00 . A A . 2 VAL CB 1 1 19 7635 1 1 2 VAL CG1 C 2.628 -0.641 -2.089 1.00 . A A . 2 VAL CG1 1 1 19 7636 1 1 2 VAL CG2 C 0.274 0.036 -2.621 1.00 . A A . 2 VAL CG2 1 1 19 7637 1 1 2 VAL H H 2.183 -1.232 0.687 1.00 . A A . 2 VAL H 1 1 19 7638 1 1 2 VAL HA H -0.325 -1.445 -0.519 1.00 . A A . 2 VAL HA 1 1 19 7639 1 1 2 VAL HB H 1.315 0.428 -0.812 1.00 . A A . 2 VAL HB 1 1 19 7640 1 1 2 VAL HG11 H 2.549 -0.891 -3.136 1.00 . A A . 2 VAL HG11 1 1 19 7641 1 1 2 VAL HG12 H 3.087 -1.461 -1.557 1.00 . A A . 2 VAL HG12 1 1 19 7642 1 1 2 VAL HG13 H 3.234 0.245 -1.975 1.00 . A A . 2 VAL HG13 1 1 19 7643 1 1 2 VAL HG21 H -0.683 -0.438 -2.460 1.00 . A A . 2 VAL HG21 1 1 19 7644 1 1 2 VAL HG22 H 0.668 -0.264 -3.580 1.00 . A A . 2 VAL HG22 1 1 19 7645 1 1 2 VAL HG23 H 0.151 1.109 -2.602 1.00 . A A . 2 VAL HG23 1 1 19 7646 1 1 2 VAL N N 1.447 -1.838 0.460 1.00 . A A . 2 VAL N 1 1 19 7647 1 1 2 VAL O O -0.132 -3.117 -2.457 1.00 . A A . 2 VAL O 1 1 19 7648 1 1 3 ARG C C 1.078 -5.832 -2.085 1.00 . A A . 3 ARG C 1 1 19 7649 1 1 3 ARG CA C 2.104 -4.754 -2.422 1.00 . A A . 3 ARG CA 1 1 19 7650 1 1 3 ARG CB C 3.519 -5.301 -2.222 1.00 . A A . 3 ARG CB 1 1 19 7651 1 1 3 ARG CD C 5.341 -6.488 -3.480 1.00 . A A . 3 ARG CD 1 1 19 7652 1 1 3 ARG CG C 3.859 -6.460 -3.145 1.00 . A A . 3 ARG CG 1 1 19 7653 1 1 3 ARG CZ C 6.777 -5.788 -5.356 1.00 . A A . 3 ARG CZ 1 1 19 7654 1 1 3 ARG H H 2.601 -3.294 -0.973 1.00 . A A . 3 ARG H 1 1 19 7655 1 1 3 ARG HA H 1.981 -4.468 -3.456 1.00 . A A . 3 ARG HA 1 1 19 7656 1 1 3 ARG HB2 H 4.228 -4.506 -2.402 1.00 . A A . 3 ARG HB2 1 1 19 7657 1 1 3 ARG HB3 H 3.621 -5.639 -1.202 1.00 . A A . 3 ARG HB3 1 1 19 7658 1 1 3 ARG HD2 H 5.896 -6.110 -2.635 1.00 . A A . 3 ARG HD2 1 1 19 7659 1 1 3 ARG HD3 H 5.634 -7.510 -3.674 1.00 . A A . 3 ARG HD3 1 1 19 7660 1 1 3 ARG HE H 4.989 -5.009 -4.932 1.00 . A A . 3 ARG HE 1 1 19 7661 1 1 3 ARG HG2 H 3.593 -7.386 -2.657 1.00 . A A . 3 ARG HG2 1 1 19 7662 1 1 3 ARG HG3 H 3.293 -6.357 -4.059 1.00 . A A . 3 ARG HG3 1 1 19 7663 1 1 3 ARG HH11 H 7.552 -7.268 -4.215 1.00 . A A . 3 ARG HH11 1 1 19 7664 1 1 3 ARG HH12 H 8.542 -6.757 -5.541 1.00 . A A . 3 ARG HH12 1 1 19 7665 1 1 3 ARG HH21 H 6.290 -4.337 -6.676 1.00 . A A . 3 ARG HH21 1 1 19 7666 1 1 3 ARG HH22 H 7.826 -5.093 -6.938 1.00 . A A . 3 ARG HH22 1 1 19 7667 1 1 3 ARG N N 1.901 -3.565 -1.603 1.00 . A A . 3 ARG N 1 1 19 7668 1 1 3 ARG NE N 5.653 -5.675 -4.653 1.00 . A A . 3 ARG NE 1 1 19 7669 1 1 3 ARG NH1 N 7.699 -6.677 -5.009 1.00 . A A . 3 ARG NH1 1 1 19 7670 1 1 3 ARG NH2 N 6.981 -5.009 -6.410 1.00 . A A . 3 ARG NH2 1 1 19 7671 1 1 3 ARG O O 0.737 -6.661 -2.928 1.00 . A A . 3 ARG O 1 1 19 7672 1 1 4 ALA C C -1.813 -6.230 -0.448 1.00 . A A . 4 ALA C 1 1 19 7673 1 1 4 ALA CA C -0.395 -6.795 -0.406 1.00 . A A . 4 ALA CA 1 1 19 7674 1 1 4 ALA CB C -0.060 -7.281 0.996 1.00 . A A . 4 ALA CB 1 1 19 7675 1 1 4 ALA H H 0.901 -5.131 -0.219 1.00 . A A . 4 ALA H 1 1 19 7676 1 1 4 ALA HA H -0.341 -7.639 -1.074 1.00 . A A . 4 ALA HA 1 1 19 7677 1 1 4 ALA HB1 H -0.339 -8.320 1.093 1.00 . A A . 4 ALA HB1 1 1 19 7678 1 1 4 ALA HB2 H -0.605 -6.694 1.721 1.00 . A A . 4 ALA HB2 1 1 19 7679 1 1 4 ALA HB3 H 1.000 -7.175 1.171 1.00 . A A . 4 ALA HB3 1 1 19 7680 1 1 4 ALA N N 0.590 -5.816 -0.848 1.00 . A A . 4 ALA N 1 1 19 7681 1 1 4 ALA O O -2.774 -6.925 -0.118 1.00 . A A . 4 ALA O 1 1 19 7682 1 1 5 CYS C C -4.022 -4.830 -2.152 1.00 . A A . 5 CYS C 1 1 19 7683 1 1 5 CYS CA C -3.246 -4.330 -0.941 1.00 . A A . 5 CYS CA 1 1 19 7684 1 1 5 CYS CB C -3.100 -2.812 -1.029 1.00 . A A . 5 CYS CB 1 1 19 7685 1 1 5 CYS H H -1.143 -4.468 -1.109 1.00 . A A . 5 CYS H 1 1 19 7686 1 1 5 CYS HA H -3.794 -4.574 -0.043 1.00 . A A . 5 CYS HA 1 1 19 7687 1 1 5 CYS HB2 H -2.364 -2.485 -0.316 1.00 . A A . 5 CYS HB2 1 1 19 7688 1 1 5 CYS HB3 H -2.775 -2.545 -2.024 1.00 . A A . 5 CYS HB3 1 1 19 7689 1 1 5 CYS N N -1.941 -4.972 -0.856 1.00 . A A . 5 CYS N 1 1 19 7690 1 1 5 CYS O O -3.442 -5.363 -3.098 1.00 . A A . 5 CYS O 1 1 19 7691 1 1 5 CYS SG S -4.643 -1.911 -0.688 1.00 . A A . 5 CYS SG 1 1 19 7692 1 1 6 SER C C -6.940 -3.854 -3.805 1.00 . A A . 6 SER C 1 1 19 7693 1 1 6 SER CA C -6.192 -5.053 -3.226 1.00 . A A . 6 SER CA 1 1 19 7694 1 1 6 SER CB C -7.189 -6.114 -2.755 1.00 . A A . 6 SER CB 1 1 19 7695 1 1 6 SER H H -5.738 -4.199 -1.347 1.00 . A A . 6 SER H 1 1 19 7696 1 1 6 SER HA H -5.564 -5.477 -3.995 1.00 . A A . 6 SER HA 1 1 19 7697 1 1 6 SER HB2 H -7.887 -6.327 -3.551 1.00 . A A . 6 SER HB2 1 1 19 7698 1 1 6 SER HB3 H -6.655 -7.015 -2.493 1.00 . A A . 6 SER HB3 1 1 19 7699 1 1 6 SER HG H -7.548 -6.066 -0.830 1.00 . A A . 6 SER HG 1 1 19 7700 1 1 6 SER N N -5.335 -4.639 -2.124 1.00 . A A . 6 SER N 1 1 19 7701 1 1 6 SER O O -7.974 -4.012 -4.455 1.00 . A A . 6 SER O 1 1 19 7702 1 1 6 SER OG O -7.913 -5.666 -1.623 1.00 . A A . 6 SER OG 1 1 19 7703 1 1 7 LEU C C -6.265 -0.855 -5.243 1.00 . A A . 7 LEU C 1 1 19 7704 1 1 7 LEU CA C -7.041 -1.432 -4.057 1.00 . A A . 7 LEU CA 1 1 19 7705 1 1 7 LEU CB C -7.128 -0.390 -2.941 1.00 . A A . 7 LEU CB 1 1 19 7706 1 1 7 LEU CD1 C -7.359 -0.278 -0.442 1.00 . A A . 7 LEU CD1 1 1 19 7707 1 1 7 LEU CD2 C -9.401 -0.299 -1.890 1.00 . A A . 7 LEU CD2 1 1 19 7708 1 1 7 LEU CG C -7.973 -0.802 -1.733 1.00 . A A . 7 LEU CG 1 1 19 7709 1 1 7 LEU H H -5.588 -2.587 -3.034 1.00 . A A . 7 LEU H 1 1 19 7710 1 1 7 LEU HA H -8.039 -1.683 -4.378 1.00 . A A . 7 LEU HA 1 1 19 7711 1 1 7 LEU HB2 H -6.126 -0.176 -2.598 1.00 . A A . 7 LEU HB2 1 1 19 7712 1 1 7 LEU HB3 H -7.548 0.514 -3.354 1.00 . A A . 7 LEU HB3 1 1 19 7713 1 1 7 LEU HD11 H -8.088 0.313 0.092 1.00 . A A . 7 LEU HD11 1 1 19 7714 1 1 7 LEU HD12 H -6.500 0.335 -0.673 1.00 . A A . 7 LEU HD12 1 1 19 7715 1 1 7 LEU HD13 H -7.050 -1.111 0.173 1.00 . A A . 7 LEU HD13 1 1 19 7716 1 1 7 LEU HD21 H -9.418 0.776 -1.789 1.00 . A A . 7 LEU HD21 1 1 19 7717 1 1 7 LEU HD22 H -10.025 -0.743 -1.128 1.00 . A A . 7 LEU HD22 1 1 19 7718 1 1 7 LEU HD23 H -9.774 -0.575 -2.866 1.00 . A A . 7 LEU HD23 1 1 19 7719 1 1 7 LEU HG H -8.002 -1.880 -1.674 1.00 . A A . 7 LEU HG 1 1 19 7720 1 1 7 LEU N N -6.415 -2.653 -3.561 1.00 . A A . 7 LEU N 1 1 19 7721 1 1 7 LEU O O -5.061 -0.619 -5.146 1.00 . A A . 7 LEU O 1 1 19 7722 1 1 8 PRO C C -5.708 1.332 -7.324 1.00 . A A . 8 PRO C 1 1 19 7723 1 1 8 PRO CA C -6.303 -0.051 -7.577 1.00 . A A . 8 PRO CA 1 1 19 7724 1 1 8 PRO CB C -7.445 0.043 -8.598 1.00 . A A . 8 PRO CB 1 1 19 7725 1 1 8 PRO CD C -8.382 -0.854 -6.593 1.00 . A A . 8 PRO CD 1 1 19 7726 1 1 8 PRO CG C -8.502 -0.875 -8.089 1.00 . A A . 8 PRO CG 1 1 19 7727 1 1 8 PRO HA H -5.533 -0.708 -7.954 1.00 . A A . 8 PRO HA 1 1 19 7728 1 1 8 PRO HB2 H -7.799 1.062 -8.651 1.00 . A A . 8 PRO HB2 1 1 19 7729 1 1 8 PRO HB3 H -7.088 -0.269 -9.569 1.00 . A A . 8 PRO HB3 1 1 19 7730 1 1 8 PRO HD2 H -8.976 -0.053 -6.177 1.00 . A A . 8 PRO HD2 1 1 19 7731 1 1 8 PRO HD3 H -8.679 -1.805 -6.178 1.00 . A A . 8 PRO HD3 1 1 19 7732 1 1 8 PRO HG2 H -9.476 -0.517 -8.392 1.00 . A A . 8 PRO HG2 1 1 19 7733 1 1 8 PRO HG3 H -8.335 -1.873 -8.465 1.00 . A A . 8 PRO HG3 1 1 19 7734 1 1 8 PRO N N -6.945 -0.611 -6.381 1.00 . A A . 8 PRO N 1 1 19 7735 1 1 8 PRO O O -4.876 1.810 -8.095 1.00 . A A . 8 PRO O 1 1 19 7736 1 1 9 HIS C C -4.219 3.215 -5.362 1.00 . A A . 9 HIS C 1 1 19 7737 1 1 9 HIS CA C -5.645 3.296 -5.882 1.00 . A A . 9 HIS CA 1 1 19 7738 1 1 9 HIS CB C -6.540 3.930 -4.816 1.00 . A A . 9 HIS CB 1 1 19 7739 1 1 9 HIS CD2 C -5.286 6.073 -4.075 1.00 . A A . 9 HIS CD2 1 1 19 7740 1 1 9 HIS CE1 C -6.733 7.557 -4.790 1.00 . A A . 9 HIS CE1 1 1 19 7741 1 1 9 HIS CG C -6.313 5.399 -4.644 1.00 . A A . 9 HIS CG 1 1 19 7742 1 1 9 HIS H H -6.797 1.538 -5.660 1.00 . A A . 9 HIS H 1 1 19 7743 1 1 9 HIS HA H -5.661 3.910 -6.770 1.00 . A A . 9 HIS HA 1 1 19 7744 1 1 9 HIS HB2 H -7.574 3.781 -5.087 1.00 . A A . 9 HIS HB2 1 1 19 7745 1 1 9 HIS HB3 H -6.348 3.452 -3.865 1.00 . A A . 9 HIS HB3 1 1 19 7746 1 1 9 HIS HD1 H -8.052 6.184 -5.539 1.00 . A A . 9 HIS HD1 1 1 19 7747 1 1 9 HIS HD2 H -4.405 5.637 -3.623 1.00 . A A . 9 HIS HD2 1 1 19 7748 1 1 9 HIS HE1 H -7.217 8.497 -5.013 1.00 . A A . 9 HIS HE1 1 1 19 7749 1 1 9 HIS HE2 H -5.051 8.138 -3.776 1.00 . A A . 9 HIS HE2 1 1 19 7750 1 1 9 HIS N N -6.137 1.970 -6.238 1.00 . A A . 9 HIS N 1 1 19 7751 1 1 9 HIS ND1 N -7.203 6.357 -5.082 1.00 . A A . 9 HIS ND1 1 1 19 7752 1 1 9 HIS NE2 N -5.572 7.412 -4.179 1.00 . A A . 9 HIS NE2 1 1 19 7753 1 1 9 HIS O O -3.312 3.862 -5.886 1.00 . A A . 9 HIS O 1 1 19 7754 1 1 10 CYS C C -1.734 1.667 -4.732 1.00 . A A . 10 CYS C 1 1 19 7755 1 1 10 CYS CA C -2.724 2.230 -3.718 1.00 . A A . 10 CYS CA 1 1 19 7756 1 1 10 CYS CB C -2.826 1.300 -2.508 1.00 . A A . 10 CYS CB 1 1 19 7757 1 1 10 CYS H H -4.802 1.924 -3.959 1.00 . A A . 10 CYS H 1 1 19 7758 1 1 10 CYS HA H -2.374 3.197 -3.389 1.00 . A A . 10 CYS HA 1 1 19 7759 1 1 10 CYS HB2 H -2.891 0.280 -2.854 1.00 . A A . 10 CYS HB2 1 1 19 7760 1 1 10 CYS HB3 H -1.940 1.412 -1.901 1.00 . A A . 10 CYS HB3 1 1 19 7761 1 1 10 CYS N N -4.034 2.411 -4.325 1.00 . A A . 10 CYS N 1 1 19 7762 1 1 10 CYS O O -0.524 1.850 -4.600 1.00 . A A . 10 CYS O 1 1 19 7763 1 1 10 CYS SG S -4.274 1.615 -1.444 1.00 . A A . 10 CYS SG 1 1 19 7764 1 1 11 ARG C C -0.948 1.476 -7.764 1.00 . A A . 11 ARG C 1 1 19 7765 1 1 11 ARG CA C -1.412 0.403 -6.785 1.00 . A A . 11 ARG CA 1 1 19 7766 1 1 11 ARG CB C -2.171 -0.695 -7.534 1.00 . A A . 11 ARG CB 1 1 19 7767 1 1 11 ARG CD C -1.719 -2.906 -8.638 1.00 . A A . 11 ARG CD 1 1 19 7768 1 1 11 ARG CG C -1.319 -1.442 -8.546 1.00 . A A . 11 ARG CG 1 1 19 7769 1 1 11 ARG CZ C -1.235 -4.854 -10.068 1.00 . A A . 11 ARG CZ 1 1 19 7770 1 1 11 ARG H H -3.230 0.874 -5.804 1.00 . A A . 11 ARG H 1 1 19 7771 1 1 11 ARG HA H -0.547 -0.031 -6.306 1.00 . A A . 11 ARG HA 1 1 19 7772 1 1 11 ARG HB2 H -2.549 -1.409 -6.816 1.00 . A A . 11 ARG HB2 1 1 19 7773 1 1 11 ARG HB3 H -3.004 -0.248 -8.056 1.00 . A A . 11 ARG HB3 1 1 19 7774 1 1 11 ARG HD2 H -1.551 -3.373 -7.679 1.00 . A A . 11 ARG HD2 1 1 19 7775 1 1 11 ARG HD3 H -2.769 -2.964 -8.887 1.00 . A A . 11 ARG HD3 1 1 19 7776 1 1 11 ARG HE H -0.182 -3.159 -10.049 1.00 . A A . 11 ARG HE 1 1 19 7777 1 1 11 ARG HG2 H -1.443 -0.984 -9.516 1.00 . A A . 11 ARG HG2 1 1 19 7778 1 1 11 ARG HG3 H -0.283 -1.380 -8.246 1.00 . A A . 11 ARG HG3 1 1 19 7779 1 1 11 ARG HH11 H -2.839 -5.081 -8.856 1.00 . A A . 11 ARG HH11 1 1 19 7780 1 1 11 ARG HH12 H -2.477 -6.437 -9.871 1.00 . A A . 11 ARG HH12 1 1 19 7781 1 1 11 ARG HH21 H 0.295 -4.940 -11.386 1.00 . A A . 11 ARG HH21 1 1 19 7782 1 1 11 ARG HH22 H -0.698 -6.357 -11.307 1.00 . A A . 11 ARG HH22 1 1 19 7783 1 1 11 ARG N N -2.255 0.985 -5.748 1.00 . A A . 11 ARG N 1 1 19 7784 1 1 11 ARG NE N -0.951 -3.621 -9.654 1.00 . A A . 11 ARG NE 1 1 19 7785 1 1 11 ARG NH1 N -2.269 -5.511 -9.556 1.00 . A A . 11 ARG NH1 1 1 19 7786 1 1 11 ARG NH2 N -0.485 -5.431 -10.996 1.00 . A A . 11 ARG NH2 1 1 19 7787 1 1 11 ARG O O -1.562 1.685 -8.809 1.00 . A A . 11 ARG O 1 1 19 7788 1 1 12 THR C C 2.203 3.110 -8.356 1.00 . A A . 12 THR C 1 1 19 7789 1 1 12 THR CA C 0.682 3.216 -8.258 1.00 . A A . 12 THR CA 1 1 19 7790 1 1 12 THR CB C 0.281 4.585 -7.704 1.00 . A A . 12 THR CB 1 1 19 7791 1 1 12 THR CG2 C 0.846 5.744 -8.498 1.00 . A A . 12 THR CG2 1 1 19 7792 1 1 12 THR H H 0.582 1.948 -6.565 1.00 . A A . 12 THR H 1 1 19 7793 1 1 12 THR HA H 0.261 3.100 -9.245 1.00 . A A . 12 THR HA 1 1 19 7794 1 1 12 THR HB H 0.644 4.670 -6.689 1.00 . A A . 12 THR HB 1 1 19 7795 1 1 12 THR HG1 H -1.476 4.583 -8.569 1.00 . A A . 12 THR HG1 1 1 19 7796 1 1 12 THR HG21 H 0.042 6.398 -8.802 1.00 . A A . 12 THR HG21 1 1 19 7797 1 1 12 THR HG22 H 1.354 5.368 -9.373 1.00 . A A . 12 THR HG22 1 1 19 7798 1 1 12 THR HG23 H 1.544 6.294 -7.884 1.00 . A A . 12 THR HG23 1 1 19 7799 1 1 12 THR N N 0.138 2.158 -7.413 1.00 . A A . 12 THR N 1 1 19 7800 1 1 12 THR O O 2.734 2.557 -9.319 1.00 . A A . 12 THR O 1 1 19 7801 1 1 12 THR OG1 O -1.128 4.724 -7.686 1.00 . A A . 12 THR OG1 1 1 19 7802 1 1 13 MET C C 4.865 2.735 -6.181 1.00 . A A . 13 MET C 1 1 19 7803 1 1 13 MET CA C 4.357 3.603 -7.331 1.00 . A A . 13 MET CA 1 1 19 7804 1 1 13 MET CB C 4.922 5.019 -7.203 1.00 . A A . 13 MET CB 1 1 19 7805 1 1 13 MET CE C 7.481 6.689 -8.904 1.00 . A A . 13 MET CE 1 1 19 7806 1 1 13 MET CG C 4.885 5.808 -8.502 1.00 . A A . 13 MET CG 1 1 19 7807 1 1 13 MET H H 2.423 4.067 -6.613 1.00 . A A . 13 MET H 1 1 19 7808 1 1 13 MET HA H 4.692 3.175 -8.264 1.00 . A A . 13 MET HA 1 1 19 7809 1 1 13 MET HB2 H 4.348 5.558 -6.463 1.00 . A A . 13 MET HB2 1 1 19 7810 1 1 13 MET HB3 H 5.948 4.956 -6.874 1.00 . A A . 13 MET HB3 1 1 19 7811 1 1 13 MET HE1 H 6.941 7.499 -8.436 1.00 . A A . 13 MET HE1 1 1 19 7812 1 1 13 MET HE2 H 8.083 7.077 -9.713 1.00 . A A . 13 MET HE2 1 1 19 7813 1 1 13 MET HE3 H 8.121 6.214 -8.175 1.00 . A A . 13 MET HE3 1 1 19 7814 1 1 13 MET HG2 H 3.993 5.538 -9.046 1.00 . A A . 13 MET HG2 1 1 19 7815 1 1 13 MET HG3 H 4.855 6.862 -8.266 1.00 . A A . 13 MET HG3 1 1 19 7816 1 1 13 MET N N 2.900 3.641 -7.355 1.00 . A A . 13 MET N 1 1 19 7817 1 1 13 MET O O 6.062 2.704 -5.905 1.00 . A A . 13 MET O 1 1 19 7818 1 1 13 MET SD S 6.318 5.490 -9.549 1.00 . A A . 13 MET SD 1 1 19 7819 1 1 14 LYS C C 4.580 1.969 -3.132 1.00 . A A . 14 LYS C 1 1 19 7820 1 1 14 LYS CA C 4.289 1.159 -4.396 1.00 . A A . 14 LYS CA 1 1 19 7821 1 1 14 LYS CB C 5.475 0.242 -4.760 1.00 . A A . 14 LYS CB 1 1 19 7822 1 1 14 LYS CD C 7.360 -0.043 -3.112 1.00 . A A . 14 LYS CD 1 1 19 7823 1 1 14 LYS CE C 8.177 0.836 -2.179 1.00 . A A . 14 LYS CE 1 1 19 7824 1 1 14 LYS CG C 6.846 0.741 -4.309 1.00 . A A . 14 LYS CG 1 1 19 7825 1 1 14 LYS H H 3.005 2.104 -5.788 1.00 . A A . 14 LYS H 1 1 19 7826 1 1 14 LYS HA H 3.426 0.538 -4.202 1.00 . A A . 14 LYS HA 1 1 19 7827 1 1 14 LYS HB2 H 5.310 -0.726 -4.312 1.00 . A A . 14 LYS HB2 1 1 19 7828 1 1 14 LYS HB3 H 5.499 0.125 -5.834 1.00 . A A . 14 LYS HB3 1 1 19 7829 1 1 14 LYS HD2 H 6.518 -0.443 -2.567 1.00 . A A . 14 LYS HD2 1 1 19 7830 1 1 14 LYS HD3 H 7.980 -0.854 -3.465 1.00 . A A . 14 LYS HD3 1 1 19 7831 1 1 14 LYS HE2 H 8.641 1.620 -2.759 1.00 . A A . 14 LYS HE2 1 1 19 7832 1 1 14 LYS HE3 H 7.515 1.275 -1.447 1.00 . A A . 14 LYS HE3 1 1 19 7833 1 1 14 LYS HG2 H 7.544 0.627 -5.125 1.00 . A A . 14 LYS HG2 1 1 19 7834 1 1 14 LYS HG3 H 6.773 1.784 -4.041 1.00 . A A . 14 LYS HG3 1 1 19 7835 1 1 14 LYS HZ1 H 10.059 0.674 -1.287 1.00 . A A . 14 LYS HZ1 1 1 19 7836 1 1 14 LYS HZ2 H 9.543 -0.740 -2.059 1.00 . A A . 14 LYS HZ2 1 1 19 7837 1 1 14 LYS HZ3 H 8.874 -0.298 -0.570 1.00 . A A . 14 LYS HZ3 1 1 19 7838 1 1 14 LYS N N 3.945 2.033 -5.517 1.00 . A A . 14 LYS N 1 1 19 7839 1 1 14 LYS NZ N 9.237 0.064 -1.475 1.00 . A A . 14 LYS NZ 1 1 19 7840 1 1 14 LYS O O 5.300 1.514 -2.243 1.00 . A A . 14 LYS O 1 1 19 7841 1 1 15 ASN C C 3.565 3.420 -0.658 1.00 . A A . 15 ASN C 1 1 19 7842 1 1 15 ASN CA C 4.197 4.033 -1.904 1.00 . A A . 15 ASN CA 1 1 19 7843 1 1 15 ASN CB C 3.585 5.406 -2.181 1.00 . A A . 15 ASN CB 1 1 19 7844 1 1 15 ASN CG C 3.909 5.918 -3.572 1.00 . A A . 15 ASN CG 1 1 19 7845 1 1 15 ASN H H 3.441 3.476 -3.787 1.00 . A A . 15 ASN H 1 1 19 7846 1 1 15 ASN HA H 5.258 4.146 -1.740 1.00 . A A . 15 ASN HA 1 1 19 7847 1 1 15 ASN HB2 H 2.512 5.342 -2.083 1.00 . A A . 15 ASN HB2 1 1 19 7848 1 1 15 ASN HB3 H 3.965 6.109 -1.463 1.00 . A A . 15 ASN HB3 1 1 19 7849 1 1 15 ASN HD21 H 1.994 6.350 -3.886 1.00 . A A . 15 ASN HD21 1 1 19 7850 1 1 15 ASN HD22 H 3.067 6.709 -5.191 1.00 . A A . 15 ASN HD22 1 1 19 7851 1 1 15 ASN N N 4.008 3.167 -3.055 1.00 . A A . 15 ASN N 1 1 19 7852 1 1 15 ASN ND2 N 2.887 6.372 -4.289 1.00 . A A . 15 ASN ND2 1 1 19 7853 1 1 15 ASN O O 2.494 3.841 -0.220 1.00 . A A . 15 ASN O 1 1 19 7854 1 1 15 ASN OD1 O 5.064 5.907 -3.997 1.00 . A A . 15 ASN OD1 1 1 19 7855 1 1 16 VAL C C 3.335 2.726 2.182 1.00 . A A . 16 VAL C 1 1 19 7856 1 1 16 VAL CA C 3.742 1.735 1.096 1.00 . A A . 16 VAL CA 1 1 19 7857 1 1 16 VAL CB C 4.797 0.773 1.668 1.00 . A A . 16 VAL CB 1 1 19 7858 1 1 16 VAL CG1 C 4.199 -0.079 2.778 1.00 . A A . 16 VAL CG1 1 1 19 7859 1 1 16 VAL CG2 C 5.377 -0.102 0.567 1.00 . A A . 16 VAL CG2 1 1 19 7860 1 1 16 VAL H H 5.079 2.127 -0.499 1.00 . A A . 16 VAL H 1 1 19 7861 1 1 16 VAL HA H 2.878 1.155 0.813 1.00 . A A . 16 VAL HA 1 1 19 7862 1 1 16 VAL HB H 5.596 1.361 2.090 1.00 . A A . 16 VAL HB 1 1 19 7863 1 1 16 VAL HG11 H 3.123 -0.093 2.681 1.00 . A A . 16 VAL HG11 1 1 19 7864 1 1 16 VAL HG12 H 4.469 0.337 3.737 1.00 . A A . 16 VAL HG12 1 1 19 7865 1 1 16 VAL HG13 H 4.579 -1.087 2.703 1.00 . A A . 16 VAL HG13 1 1 19 7866 1 1 16 VAL HG21 H 6.121 0.457 0.018 1.00 . A A . 16 VAL HG21 1 1 19 7867 1 1 16 VAL HG22 H 4.588 -0.407 -0.105 1.00 . A A . 16 VAL HG22 1 1 19 7868 1 1 16 VAL HG23 H 5.835 -0.977 1.005 1.00 . A A . 16 VAL HG23 1 1 19 7869 1 1 16 VAL N N 4.234 2.418 -0.097 1.00 . A A . 16 VAL N 1 1 19 7870 1 1 16 VAL O O 2.310 2.550 2.841 1.00 . A A . 16 VAL O 1 1 19 7871 1 1 17 LEU C C 2.508 5.435 3.117 1.00 . A A . 17 LEU C 1 1 19 7872 1 1 17 LEU CA C 3.857 4.779 3.376 1.00 . A A . 17 LEU CA 1 1 19 7873 1 1 17 LEU CB C 4.960 5.838 3.396 1.00 . A A . 17 LEU CB 1 1 19 7874 1 1 17 LEU CD1 C 7.407 6.218 3.788 1.00 . A A . 17 LEU CD1 1 1 19 7875 1 1 17 LEU CD2 C 5.868 5.891 5.732 1.00 . A A . 17 LEU CD2 1 1 19 7876 1 1 17 LEU CG C 6.158 5.509 4.288 1.00 . A A . 17 LEU CG 1 1 19 7877 1 1 17 LEU H H 4.945 3.854 1.813 1.00 . A A . 17 LEU H 1 1 19 7878 1 1 17 LEU HA H 3.822 4.289 4.332 1.00 . A A . 17 LEU HA 1 1 19 7879 1 1 17 LEU HB2 H 5.316 5.976 2.386 1.00 . A A . 17 LEU HB2 1 1 19 7880 1 1 17 LEU HB3 H 4.531 6.768 3.738 1.00 . A A . 17 LEU HB3 1 1 19 7881 1 1 17 LEU HD11 H 7.871 5.626 3.012 1.00 . A A . 17 LEU HD11 1 1 19 7882 1 1 17 LEU HD12 H 8.101 6.346 4.606 1.00 . A A . 17 LEU HD12 1 1 19 7883 1 1 17 LEU HD13 H 7.137 7.185 3.390 1.00 . A A . 17 LEU HD13 1 1 19 7884 1 1 17 LEU HD21 H 5.355 6.841 5.756 1.00 . A A . 17 LEU HD21 1 1 19 7885 1 1 17 LEU HD22 H 6.797 5.969 6.277 1.00 . A A . 17 LEU HD22 1 1 19 7886 1 1 17 LEU HD23 H 5.246 5.134 6.186 1.00 . A A . 17 LEU HD23 1 1 19 7887 1 1 17 LEU HG H 6.343 4.445 4.253 1.00 . A A . 17 LEU HG 1 1 19 7888 1 1 17 LEU N N 4.142 3.766 2.367 1.00 . A A . 17 LEU N 1 1 19 7889 1 1 17 LEU O O 1.779 5.780 4.047 1.00 . A A . 17 LEU O 1 1 19 7890 1 1 18 ASN C C -0.231 5.217 1.629 1.00 . A A . 18 ASN C 1 1 19 7891 1 1 18 ASN CA C 0.921 6.197 1.441 1.00 . A A . 18 ASN CA 1 1 19 7892 1 1 18 ASN CB C 0.989 6.652 -0.019 1.00 . A A . 18 ASN CB 1 1 19 7893 1 1 18 ASN CG C 0.771 8.145 -0.171 1.00 . A A . 18 ASN CG 1 1 19 7894 1 1 18 ASN H H 2.809 5.288 1.157 1.00 . A A . 18 ASN H 1 1 19 7895 1 1 18 ASN HA H 0.750 7.057 2.070 1.00 . A A . 18 ASN HA 1 1 19 7896 1 1 18 ASN HB2 H 1.961 6.407 -0.419 1.00 . A A . 18 ASN HB2 1 1 19 7897 1 1 18 ASN HB3 H 0.231 6.136 -0.588 1.00 . A A . 18 ASN HB3 1 1 19 7898 1 1 18 ASN HD21 H 2.699 8.410 -0.579 1.00 . A A . 18 ASN HD21 1 1 19 7899 1 1 18 ASN HD22 H 1.729 9.839 -0.577 1.00 . A A . 18 ASN HD22 1 1 19 7900 1 1 18 ASN N N 2.184 5.593 1.844 1.00 . A A . 18 ASN N 1 1 19 7901 1 1 18 ASN ND2 N 1.841 8.871 -0.473 1.00 . A A . 18 ASN ND2 1 1 19 7902 1 1 18 ASN O O -1.366 5.616 1.893 1.00 . A A . 18 ASN O 1 1 19 7903 1 1 18 ASN OD1 O -0.346 8.639 -0.020 1.00 . A A . 18 ASN OD1 1 1 19 7904 1 1 19 HIS C C -1.223 2.604 3.105 1.00 . A A . 19 HIS C 1 1 19 7905 1 1 19 HIS CA C -0.938 2.888 1.630 1.00 . A A . 19 HIS CA 1 1 19 7906 1 1 19 HIS CB C -0.484 1.612 0.905 1.00 . A A . 19 HIS CB 1 1 19 7907 1 1 19 HIS CD2 C -0.524 -0.565 2.294 1.00 . A A . 19 HIS CD2 1 1 19 7908 1 1 19 HIS CE1 C -2.553 -1.173 1.803 1.00 . A A . 19 HIS CE1 1 1 19 7909 1 1 19 HIS CG C -1.075 0.347 1.455 1.00 . A A . 19 HIS CG 1 1 19 7910 1 1 19 HIS H H 0.991 3.679 1.270 1.00 . A A . 19 HIS H 1 1 19 7911 1 1 19 HIS HA H -1.842 3.247 1.169 1.00 . A A . 19 HIS HA 1 1 19 7912 1 1 19 HIS HB2 H -0.766 1.680 -0.135 1.00 . A A . 19 HIS HB2 1 1 19 7913 1 1 19 HIS HB3 H 0.591 1.533 0.974 1.00 . A A . 19 HIS HB3 1 1 19 7914 1 1 19 HIS HD2 H 0.463 -0.533 2.724 1.00 . A A . 19 HIS HD2 1 1 19 7915 1 1 19 HIS HE1 H -3.486 -1.716 1.796 1.00 . A A . 19 HIS HE1 1 1 19 7916 1 1 19 HIS HE2 H -1.316 -2.407 2.920 1.00 . A A . 19 HIS HE2 1 1 19 7917 1 1 19 HIS N N 0.070 3.931 1.485 1.00 . A A . 19 HIS N 1 1 19 7918 1 1 19 HIS ND1 N -2.354 -0.048 1.150 1.00 . A A . 19 HIS ND1 1 1 19 7919 1 1 19 HIS NE2 N -1.472 -1.531 2.509 1.00 . A A . 19 HIS NE2 1 1 19 7920 1 1 19 HIS O O -2.357 2.737 3.563 1.00 . A A . 19 HIS O 1 1 19 7921 1 1 20 MET C C -0.965 3.080 6.020 1.00 . A A . 20 MET C 1 1 19 7922 1 1 20 MET CA C -0.343 1.908 5.263 1.00 . A A . 20 MET CA 1 1 19 7923 1 1 20 MET CB C 1.012 1.551 5.876 1.00 . A A . 20 MET CB 1 1 19 7924 1 1 20 MET CE C 3.011 -2.096 6.246 1.00 . A A . 20 MET CE 1 1 19 7925 1 1 20 MET CG C 1.379 0.083 5.728 1.00 . A A . 20 MET CG 1 1 19 7926 1 1 20 MET H H 0.690 2.121 3.425 1.00 . A A . 20 MET H 1 1 19 7927 1 1 20 MET HA H -1.001 1.056 5.348 1.00 . A A . 20 MET HA 1 1 19 7928 1 1 20 MET HB2 H 1.778 2.142 5.396 1.00 . A A . 20 MET HB2 1 1 19 7929 1 1 20 MET HB3 H 0.991 1.790 6.929 1.00 . A A . 20 MET HB3 1 1 19 7930 1 1 20 MET HE1 H 2.036 -2.554 6.308 1.00 . A A . 20 MET HE1 1 1 19 7931 1 1 20 MET HE2 H 3.678 -2.570 6.950 1.00 . A A . 20 MET HE2 1 1 19 7932 1 1 20 MET HE3 H 3.401 -2.214 5.245 1.00 . A A . 20 MET HE3 1 1 19 7933 1 1 20 MET HG2 H 0.563 -0.518 6.102 1.00 . A A . 20 MET HG2 1 1 19 7934 1 1 20 MET HG3 H 1.532 -0.132 4.681 1.00 . A A . 20 MET HG3 1 1 19 7935 1 1 20 MET N N -0.192 2.211 3.843 1.00 . A A . 20 MET N 1 1 19 7936 1 1 20 MET O O -1.543 2.899 7.092 1.00 . A A . 20 MET O 1 1 19 7937 1 1 20 MET SD S 2.877 -0.352 6.632 1.00 . A A . 20 MET SD 1 1 19 7938 1 1 21 THR C C -2.916 5.471 6.055 1.00 . A A . 21 THR C 1 1 19 7939 1 1 21 THR CA C -1.385 5.474 6.089 1.00 . A A . 21 THR CA 1 1 19 7940 1 1 21 THR CB C -0.823 6.729 5.401 1.00 . A A . 21 THR CB 1 1 19 7941 1 1 21 THR CG2 C -1.865 7.785 5.079 1.00 . A A . 21 THR CG2 1 1 19 7942 1 1 21 THR H H -0.365 4.363 4.610 1.00 . A A . 21 THR H 1 1 19 7943 1 1 21 THR HA H -1.066 5.473 7.119 1.00 . A A . 21 THR HA 1 1 19 7944 1 1 21 THR HB H -0.355 6.435 4.472 1.00 . A A . 21 THR HB 1 1 19 7945 1 1 21 THR HG1 H 0.528 8.101 5.755 1.00 . A A . 21 THR HG1 1 1 19 7946 1 1 21 THR HG21 H -2.456 7.988 5.959 1.00 . A A . 21 THR HG21 1 1 19 7947 1 1 21 THR HG22 H -2.508 7.426 4.288 1.00 . A A . 21 THR HG22 1 1 19 7948 1 1 21 THR HG23 H -1.372 8.691 4.759 1.00 . A A . 21 THR HG23 1 1 19 7949 1 1 21 THR N N -0.839 4.279 5.461 1.00 . A A . 21 THR N 1 1 19 7950 1 1 21 THR O O -3.559 6.191 6.818 1.00 . A A . 21 THR O 1 1 19 7951 1 1 21 THR OG1 O 0.159 7.344 6.215 1.00 . A A . 21 THR OG1 1 1 19 7952 1 1 22 HIS C C -5.458 3.160 4.991 1.00 . A A . 22 HIS C 1 1 19 7953 1 1 22 HIS CA C -4.951 4.597 5.045 1.00 . A A . 22 HIS CA 1 1 19 7954 1 1 22 HIS CB C -5.418 5.340 3.791 1.00 . A A . 22 HIS CB 1 1 19 7955 1 1 22 HIS CD2 C -4.492 3.527 2.148 1.00 . A A . 22 HIS CD2 1 1 19 7956 1 1 22 HIS CE1 C -4.180 4.825 0.413 1.00 . A A . 22 HIS CE1 1 1 19 7957 1 1 22 HIS CG C -4.873 4.785 2.504 1.00 . A A . 22 HIS CG 1 1 19 7958 1 1 22 HIS H H -2.935 4.120 4.576 1.00 . A A . 22 HIS H 1 1 19 7959 1 1 22 HIS HA H -5.376 5.081 5.911 1.00 . A A . 22 HIS HA 1 1 19 7960 1 1 22 HIS HB2 H -6.495 5.295 3.738 1.00 . A A . 22 HIS HB2 1 1 19 7961 1 1 22 HIS HB3 H -5.111 6.373 3.862 1.00 . A A . 22 HIS HB3 1 1 19 7962 1 1 22 HIS HD1 H -4.841 6.531 1.326 1.00 . A A . 22 HIS HD1 1 1 19 7963 1 1 22 HIS HD2 H -4.524 2.635 2.765 1.00 . A A . 22 HIS HD2 1 1 19 7964 1 1 22 HIS HE1 H -3.929 5.171 -0.580 1.00 . A A . 22 HIS HE1 1 1 19 7965 1 1 22 HIS HE2 H -3.507 2.906 0.421 1.00 . A A . 22 HIS HE2 1 1 19 7966 1 1 22 HIS N N -3.495 4.668 5.165 1.00 . A A . 22 HIS N 1 1 19 7967 1 1 22 HIS ND1 N -4.662 5.569 1.390 1.00 . A A . 22 HIS ND1 1 1 19 7968 1 1 22 HIS NE2 N -4.064 3.584 0.846 1.00 . A A . 22 HIS NE2 1 1 19 7969 1 1 22 HIS O O -6.666 2.925 5.004 1.00 . A A . 22 HIS O 1 1 19 7970 1 1 23 CYS C C -4.403 0.022 6.008 1.00 . A A . 23 CYS C 1 1 19 7971 1 1 23 CYS CA C -4.918 0.813 4.809 1.00 . A A . 23 CYS CA 1 1 19 7972 1 1 23 CYS CB C -4.346 0.257 3.516 1.00 . A A . 23 CYS CB 1 1 19 7973 1 1 23 CYS H H -3.599 2.434 4.865 1.00 . A A . 23 CYS H 1 1 19 7974 1 1 23 CYS HA H -5.994 0.750 4.775 1.00 . A A . 23 CYS HA 1 1 19 7975 1 1 23 CYS HB2 H -3.499 0.862 3.225 1.00 . A A . 23 CYS HB2 1 1 19 7976 1 1 23 CYS HB3 H -4.012 -0.746 3.687 1.00 . A A . 23 CYS HB3 1 1 19 7977 1 1 23 CYS N N -4.546 2.204 4.900 1.00 . A A . 23 CYS N 1 1 19 7978 1 1 23 CYS O O -3.412 0.399 6.633 1.00 . A A . 23 CYS O 1 1 19 7979 1 1 23 CYS SG S -5.515 0.246 2.115 1.00 . A A . 23 CYS SG 1 1 19 7980 1 1 24 GLN C C -3.834 -3.090 6.975 1.00 . A A . 24 GLN C 1 1 19 7981 1 1 24 GLN CA C -4.693 -1.920 7.445 1.00 . A A . 24 GLN CA 1 1 19 7982 1 1 24 GLN CB C -5.934 -2.443 8.171 1.00 . A A . 24 GLN CB 1 1 19 7983 1 1 24 GLN CD C -7.926 -1.905 9.628 1.00 . A A . 24 GLN CD 1 1 19 7984 1 1 24 GLN CG C -6.677 -1.373 8.954 1.00 . A A . 24 GLN CG 1 1 19 7985 1 1 24 GLN H H -5.863 -1.325 5.785 1.00 . A A . 24 GLN H 1 1 19 7986 1 1 24 GLN HA H -4.115 -1.317 8.129 1.00 . A A . 24 GLN HA 1 1 19 7987 1 1 24 GLN HB2 H -6.613 -2.862 7.443 1.00 . A A . 24 GLN HB2 1 1 19 7988 1 1 24 GLN HB3 H -5.634 -3.219 8.860 1.00 . A A . 24 GLN HB3 1 1 19 7989 1 1 24 GLN HE21 H -8.422 -0.070 10.213 1.00 . A A . 24 GLN HE21 1 1 19 7990 1 1 24 GLN HE22 H -9.513 -1.327 10.678 1.00 . A A . 24 GLN HE22 1 1 19 7991 1 1 24 GLN HG2 H -6.018 -0.978 9.713 1.00 . A A . 24 GLN HG2 1 1 19 7992 1 1 24 GLN HG3 H -6.960 -0.580 8.277 1.00 . A A . 24 GLN HG3 1 1 19 7993 1 1 24 GLN N N -5.082 -1.076 6.322 1.00 . A A . 24 GLN N 1 1 19 7994 1 1 24 GLN NE2 N -8.698 -1.010 10.234 1.00 . A A . 24 GLN NE2 1 1 19 7995 1 1 24 GLN O O -3.642 -3.286 5.775 1.00 . A A . 24 GLN O 1 1 19 7996 1 1 24 GLN OE1 O -8.195 -3.106 9.603 1.00 . A A . 24 GLN OE1 1 1 19 7997 1 1 25 ALA C C -1.024 -4.603 7.434 1.00 . A A . 25 ALA C 1 1 19 7998 1 1 25 ALA CA C -2.476 -5.020 7.636 1.00 . A A . 25 ALA CA 1 1 19 7999 1 1 25 ALA CB C -2.989 -5.775 6.415 1.00 . A A . 25 ALA CB 1 1 19 8000 1 1 25 ALA H H -3.513 -3.646 8.869 1.00 . A A . 25 ALA H 1 1 19 8001 1 1 25 ALA HA H -2.527 -5.688 8.485 1.00 . A A . 25 ALA HA 1 1 19 8002 1 1 25 ALA HB1 H -4.068 -5.733 6.392 1.00 . A A . 25 ALA HB1 1 1 19 8003 1 1 25 ALA HB2 H -2.671 -6.806 6.469 1.00 . A A . 25 ALA HB2 1 1 19 8004 1 1 25 ALA HB3 H -2.591 -5.322 5.518 1.00 . A A . 25 ALA HB3 1 1 19 8005 1 1 25 ALA N N -3.320 -3.862 7.933 1.00 . A A . 25 ALA N 1 1 19 8006 1 1 25 ALA O O -0.742 -3.474 7.034 1.00 . A A . 25 ALA O 1 1 19 8007 1 1 26 GLY C C 2.005 -5.007 8.884 1.00 . A A . 26 GLY C 1 1 19 8008 1 1 26 GLY CA C 1.307 -5.231 7.556 1.00 . A A . 26 GLY CA 1 1 19 8009 1 1 26 GLY H H -0.389 -6.406 8.029 1.00 . A A . 26 GLY H 1 1 19 8010 1 1 26 GLY HA2 H 1.780 -6.058 7.048 1.00 . A A . 26 GLY HA2 1 1 19 8011 1 1 26 GLY HA3 H 1.415 -4.342 6.952 1.00 . A A . 26 GLY HA3 1 1 19 8012 1 1 26 GLY N N -0.105 -5.522 7.713 1.00 . A A . 26 GLY N 1 1 19 8013 1 1 26 GLY O O 2.935 -4.206 8.977 1.00 . A A . 26 GLY O 1 1 19 8014 1 1 27 LYS C C 2.010 -4.165 11.763 1.00 . A A . 27 LYS C 1 1 19 8015 1 1 27 LYS CA C 2.141 -5.592 11.242 1.00 . A A . 27 LYS CA 1 1 19 8016 1 1 27 LYS CB C 3.614 -6.004 11.213 1.00 . A A . 27 LYS CB 1 1 19 8017 1 1 27 LYS CD C 5.501 -7.116 12.444 1.00 . A A . 27 LYS CD 1 1 19 8018 1 1 27 LYS CE C 5.331 -8.599 12.156 1.00 . A A . 27 LYS CE 1 1 19 8019 1 1 27 LYS CG C 4.158 -6.416 12.571 1.00 . A A . 27 LYS CG 1 1 19 8020 1 1 27 LYS H H 0.810 -6.339 9.776 1.00 . A A . 27 LYS H 1 1 19 8021 1 1 27 LYS HA H 1.604 -6.255 11.905 1.00 . A A . 27 LYS HA 1 1 19 8022 1 1 27 LYS HB2 H 3.730 -6.836 10.535 1.00 . A A . 27 LYS HB2 1 1 19 8023 1 1 27 LYS HB3 H 4.201 -5.172 10.852 1.00 . A A . 27 LYS HB3 1 1 19 8024 1 1 27 LYS HD2 H 6.057 -6.664 11.637 1.00 . A A . 27 LYS HD2 1 1 19 8025 1 1 27 LYS HD3 H 6.046 -6.998 13.370 1.00 . A A . 27 LYS HD3 1 1 19 8026 1 1 27 LYS HE2 H 4.365 -8.756 11.699 1.00 . A A . 27 LYS HE2 1 1 19 8027 1 1 27 LYS HE3 H 6.107 -8.910 11.471 1.00 . A A . 27 LYS HE3 1 1 19 8028 1 1 27 LYS HG2 H 4.279 -5.535 13.183 1.00 . A A . 27 LYS HG2 1 1 19 8029 1 1 27 LYS HG3 H 3.454 -7.088 13.041 1.00 . A A . 27 LYS HG3 1 1 19 8030 1 1 27 LYS HZ1 H 5.545 -10.423 13.151 1.00 . A A . 27 LYS HZ1 1 1 19 8031 1 1 27 LYS HZ2 H 4.550 -9.317 13.955 1.00 . A A . 27 LYS HZ2 1 1 19 8032 1 1 27 LYS HZ3 H 6.228 -9.111 13.971 1.00 . A A . 27 LYS HZ3 1 1 19 8033 1 1 27 LYS N N 1.554 -5.717 9.913 1.00 . A A . 27 LYS N 1 1 19 8034 1 1 27 LYS NZ N 5.420 -9.420 13.395 1.00 . A A . 27 LYS NZ 1 1 19 8035 1 1 27 LYS O O 1.044 -3.893 12.507 1.00 . A A . 27 LYS O 1 1 19 8036 1 1 27 LYS OXT O 2.875 -3.330 11.424 1.00 . A A . 27 LYS OXT 1 1 19 8037 2 2 1 ZN ZN ZN -4.140 0.096 0.274 1.00 . B A . 28 ZN ZN 1 1 20 8038 1 1 1 GLU C C 1.203 -2.948 1.356 1.00 . A A . 1 GLU C 1 1 20 8039 1 1 1 GLU CA C 2.072 -3.044 2.603 1.00 . A A . 1 GLU CA 1 1 20 8040 1 1 1 GLU CB C 3.037 -4.225 2.486 1.00 . A A . 1 GLU CB 1 1 20 8041 1 1 1 GLU CD C 5.262 -5.222 3.147 1.00 . A A . 1 GLU CD 1 1 20 8042 1 1 1 GLU CG C 4.293 -4.070 3.328 1.00 . A A . 1 GLU CG 1 1 20 8043 1 1 1 GLU H1 H 0.705 -2.350 3.975 1.00 . A A . 1 GLU H1 1 1 20 8044 1 1 1 GLU H2 H 1.889 -3.412 4.619 1.00 . A A . 1 GLU H2 1 1 20 8045 1 1 1 GLU H3 H 0.608 -4.031 3.659 1.00 . A A . 1 GLU H3 1 1 20 8046 1 1 1 GLU HA H 2.638 -2.129 2.702 1.00 . A A . 1 GLU HA 1 1 20 8047 1 1 1 GLU HB2 H 2.527 -5.124 2.801 1.00 . A A . 1 GLU HB2 1 1 20 8048 1 1 1 GLU HB3 H 3.333 -4.332 1.453 1.00 . A A . 1 GLU HB3 1 1 20 8049 1 1 1 GLU HG2 H 4.790 -3.154 3.045 1.00 . A A . 1 GLU HG2 1 1 20 8050 1 1 1 GLU HG3 H 4.009 -4.017 4.369 1.00 . A A . 1 GLU HG3 1 1 20 8051 1 1 1 GLU N N 1.244 -3.225 3.824 1.00 . A A . 1 GLU N 1 1 20 8052 1 1 1 GLU O O 0.292 -3.751 1.153 1.00 . A A . 1 GLU O 1 1 20 8053 1 1 1 GLU OE1 O 6.045 -5.191 2.174 1.00 . A A . 1 GLU OE1 1 1 20 8054 1 1 1 GLU OE2 O 5.238 -6.154 3.977 1.00 . A A . 1 GLU OE2 1 1 20 8055 1 1 2 VAL C C 0.812 -2.958 -1.615 1.00 . A A . 2 VAL C 1 1 20 8056 1 1 2 VAL CA C 0.747 -1.736 -0.703 1.00 . A A . 2 VAL CA 1 1 20 8057 1 1 2 VAL CB C 1.281 -0.502 -1.457 1.00 . A A . 2 VAL CB 1 1 20 8058 1 1 2 VAL CG1 C 2.670 -0.769 -2.020 1.00 . A A . 2 VAL CG1 1 1 20 8059 1 1 2 VAL CG2 C 0.316 -0.087 -2.559 1.00 . A A . 2 VAL CG2 1 1 20 8060 1 1 2 VAL H H 2.231 -1.348 0.750 1.00 . A A . 2 VAL H 1 1 20 8061 1 1 2 VAL HA H -0.284 -1.551 -0.438 1.00 . A A . 2 VAL HA 1 1 20 8062 1 1 2 VAL HB H 1.359 0.311 -0.750 1.00 . A A . 2 VAL HB 1 1 20 8063 1 1 2 VAL HG11 H 3.128 -1.584 -1.478 1.00 . A A . 2 VAL HG11 1 1 20 8064 1 1 2 VAL HG12 H 3.277 0.118 -1.916 1.00 . A A . 2 VAL HG12 1 1 20 8065 1 1 2 VAL HG13 H 2.591 -1.031 -3.064 1.00 . A A . 2 VAL HG13 1 1 20 8066 1 1 2 VAL HG21 H -0.499 -0.794 -2.612 1.00 . A A . 2 VAL HG21 1 1 20 8067 1 1 2 VAL HG22 H 0.836 -0.066 -3.506 1.00 . A A . 2 VAL HG22 1 1 20 8068 1 1 2 VAL HG23 H -0.075 0.897 -2.343 1.00 . A A . 2 VAL HG23 1 1 20 8069 1 1 2 VAL N N 1.494 -1.954 0.527 1.00 . A A . 2 VAL N 1 1 20 8070 1 1 2 VAL O O -0.119 -3.230 -2.373 1.00 . A A . 2 VAL O 1 1 20 8071 1 1 3 ARG C C 1.095 -5.963 -1.983 1.00 . A A . 3 ARG C 1 1 20 8072 1 1 3 ARG CA C 2.106 -4.882 -2.353 1.00 . A A . 3 ARG CA 1 1 20 8073 1 1 3 ARG CB C 3.528 -5.420 -2.188 1.00 . A A . 3 ARG CB 1 1 20 8074 1 1 3 ARG CD C 4.642 -5.882 -4.392 1.00 . A A . 3 ARG CD 1 1 20 8075 1 1 3 ARG CG C 3.899 -6.482 -3.209 1.00 . A A . 3 ARG CG 1 1 20 8076 1 1 3 ARG CZ C 6.869 -4.958 -4.903 1.00 . A A . 3 ARG CZ 1 1 20 8077 1 1 3 ARG H H 2.625 -3.422 -0.912 1.00 . A A . 3 ARG H 1 1 20 8078 1 1 3 ARG HA H 1.954 -4.603 -3.385 1.00 . A A . 3 ARG HA 1 1 20 8079 1 1 3 ARG HB2 H 4.224 -4.600 -2.284 1.00 . A A . 3 ARG HB2 1 1 20 8080 1 1 3 ARG HB3 H 3.626 -5.850 -1.202 1.00 . A A . 3 ARG HB3 1 1 20 8081 1 1 3 ARG HD2 H 4.683 -6.614 -5.185 1.00 . A A . 3 ARG HD2 1 1 20 8082 1 1 3 ARG HD3 H 4.103 -5.011 -4.735 1.00 . A A . 3 ARG HD3 1 1 20 8083 1 1 3 ARG HE H 6.291 -5.628 -3.113 1.00 . A A . 3 ARG HE 1 1 20 8084 1 1 3 ARG HG2 H 4.532 -7.218 -2.736 1.00 . A A . 3 ARG HG2 1 1 20 8085 1 1 3 ARG HG3 H 2.996 -6.956 -3.565 1.00 . A A . 3 ARG HG3 1 1 20 8086 1 1 3 ARG HH11 H 5.599 -5.002 -6.476 1.00 . A A . 3 ARG HH11 1 1 20 8087 1 1 3 ARG HH12 H 7.171 -4.357 -6.809 1.00 . A A . 3 ARG HH12 1 1 20 8088 1 1 3 ARG HH21 H 8.359 -4.779 -3.549 1.00 . A A . 3 ARG HH21 1 1 20 8089 1 1 3 ARG HH22 H 8.738 -4.231 -5.148 1.00 . A A . 3 ARG HH22 1 1 20 8090 1 1 3 ARG N N 1.918 -3.690 -1.535 1.00 . A A . 3 ARG N 1 1 20 8091 1 1 3 ARG NE N 6.005 -5.489 -4.040 1.00 . A A . 3 ARG NE 1 1 20 8092 1 1 3 ARG NH1 N 6.517 -4.756 -6.166 1.00 . A A . 3 ARG NH1 1 1 20 8093 1 1 3 ARG NH2 N 8.089 -4.629 -4.500 1.00 . A A . 3 ARG NH2 1 1 20 8094 1 1 3 ARG O O 0.736 -6.799 -2.812 1.00 . A A . 3 ARG O 1 1 20 8095 1 1 4 ALA C C -1.752 -6.380 -0.298 1.00 . A A . 4 ALA C 1 1 20 8096 1 1 4 ALA CA C -0.327 -6.926 -0.259 1.00 . A A . 4 ALA CA 1 1 20 8097 1 1 4 ALA CB C 0.029 -7.378 1.149 1.00 . A A . 4 ALA CB 1 1 20 8098 1 1 4 ALA H H 0.964 -5.254 -0.116 1.00 . A A . 4 ALA H 1 1 20 8099 1 1 4 ALA HA H -0.269 -7.783 -0.910 1.00 . A A . 4 ALA HA 1 1 20 8100 1 1 4 ALA HB1 H -0.199 -8.429 1.257 1.00 . A A . 4 ALA HB1 1 1 20 8101 1 1 4 ALA HB2 H -0.545 -6.810 1.865 1.00 . A A . 4 ALA HB2 1 1 20 8102 1 1 4 ALA HB3 H 1.082 -7.219 1.323 1.00 . A A . 4 ALA HB3 1 1 20 8103 1 1 4 ALA N N 0.641 -5.943 -0.733 1.00 . A A . 4 ALA N 1 1 20 8104 1 1 4 ALA O O -2.703 -7.084 0.044 1.00 . A A . 4 ALA O 1 1 20 8105 1 1 5 CYS C C -3.990 -5.024 -2.003 1.00 . A A . 5 CYS C 1 1 20 8106 1 1 5 CYS CA C -3.213 -4.503 -0.801 1.00 . A A . 5 CYS CA 1 1 20 8107 1 1 5 CYS CB C -3.086 -2.985 -0.905 1.00 . A A . 5 CYS CB 1 1 20 8108 1 1 5 CYS H H -1.109 -4.616 -0.981 1.00 . A A . 5 CYS H 1 1 20 8109 1 1 5 CYS HA H -3.753 -4.744 0.102 1.00 . A A . 5 CYS HA 1 1 20 8110 1 1 5 CYS HB2 H -2.344 -2.642 -0.205 1.00 . A A . 5 CYS HB2 1 1 20 8111 1 1 5 CYS HB3 H -2.778 -2.723 -1.907 1.00 . A A . 5 CYS HB3 1 1 20 8112 1 1 5 CYS N N -1.899 -5.128 -0.718 1.00 . A A . 5 CYS N 1 1 20 8113 1 1 5 CYS O O -3.410 -5.564 -2.944 1.00 . A A . 5 CYS O 1 1 20 8114 1 1 5 CYS SG S -4.635 -2.098 -0.551 1.00 . A A . 5 CYS SG 1 1 20 8115 1 1 6 SER C C -6.920 -4.092 -3.658 1.00 . A A . 6 SER C 1 1 20 8116 1 1 6 SER CA C -6.163 -5.278 -3.064 1.00 . A A . 6 SER CA 1 1 20 8117 1 1 6 SER CB C -7.152 -6.337 -2.574 1.00 . A A . 6 SER CB 1 1 20 8118 1 1 6 SER H H -5.707 -4.397 -1.198 1.00 . A A . 6 SER H 1 1 20 8119 1 1 6 SER HA H -5.535 -5.710 -3.829 1.00 . A A . 6 SER HA 1 1 20 8120 1 1 6 SER HB2 H -6.756 -6.816 -1.692 1.00 . A A . 6 SER HB2 1 1 20 8121 1 1 6 SER HB3 H -8.094 -5.864 -2.335 1.00 . A A . 6 SER HB3 1 1 20 8122 1 1 6 SER HG H -8.306 -7.565 -3.574 1.00 . A A . 6 SER HG 1 1 20 8123 1 1 6 SER N N -5.305 -4.843 -1.971 1.00 . A A . 6 SER N 1 1 20 8124 1 1 6 SER O O -7.949 -4.266 -4.310 1.00 . A A . 6 SER O 1 1 20 8125 1 1 6 SER OG O -7.377 -7.324 -3.567 1.00 . A A . 6 SER OG 1 1 20 8126 1 1 7 LEU C C -6.266 -1.101 -5.125 1.00 . A A . 7 LEU C 1 1 20 8127 1 1 7 LEU CA C -7.041 -1.673 -3.937 1.00 . A A . 7 LEU CA 1 1 20 8128 1 1 7 LEU CB C -7.142 -0.620 -2.831 1.00 . A A . 7 LEU CB 1 1 20 8129 1 1 7 LEU CD1 C -7.371 -0.495 -0.333 1.00 . A A . 7 LEU CD1 1 1 20 8130 1 1 7 LEU CD2 C -9.415 -0.536 -1.779 1.00 . A A . 7 LEU CD2 1 1 20 8131 1 1 7 LEU CG C -7.984 -1.030 -1.620 1.00 . A A . 7 LEU CG 1 1 20 8132 1 1 7 LEU H H -5.582 -2.804 -2.895 1.00 . A A . 7 LEU H 1 1 20 8133 1 1 7 LEU HA H -8.036 -1.936 -4.258 1.00 . A A . 7 LEU HA 1 1 20 8134 1 1 7 LEU HB2 H -6.143 -0.391 -2.490 1.00 . A A . 7 LEU HB2 1 1 20 8135 1 1 7 LEU HB3 H -7.573 0.274 -3.254 1.00 . A A . 7 LEU HB3 1 1 20 8136 1 1 7 LEU HD11 H -8.102 0.096 0.198 1.00 . A A . 7 LEU HD11 1 1 20 8137 1 1 7 LEU HD12 H -6.514 0.120 -0.569 1.00 . A A . 7 LEU HD12 1 1 20 8138 1 1 7 LEU HD13 H -7.059 -1.323 0.287 1.00 . A A . 7 LEU HD13 1 1 20 8139 1 1 7 LEU HD21 H -9.790 -0.824 -2.750 1.00 . A A . 7 LEU HD21 1 1 20 8140 1 1 7 LEU HD22 H -9.436 0.540 -1.689 1.00 . A A . 7 LEU HD22 1 1 20 8141 1 1 7 LEU HD23 H -10.034 -0.973 -1.009 1.00 . A A . 7 LEU HD23 1 1 20 8142 1 1 7 LEU HG H -8.007 -2.108 -1.555 1.00 . A A . 7 LEU HG 1 1 20 8143 1 1 7 LEU N N -6.406 -2.883 -3.425 1.00 . A A . 7 LEU N 1 1 20 8144 1 1 7 LEU O O -5.066 -0.849 -5.024 1.00 . A A . 7 LEU O 1 1 20 8145 1 1 8 PRO C C -5.720 1.063 -7.231 1.00 . A A . 8 PRO C 1 1 20 8146 1 1 8 PRO CA C -6.301 -0.329 -7.470 1.00 . A A . 8 PRO CA 1 1 20 8147 1 1 8 PRO CB C -7.438 -0.259 -8.497 1.00 . A A . 8 PRO CB 1 1 20 8148 1 1 8 PRO CD C -8.374 -1.146 -6.488 1.00 . A A . 8 PRO CD 1 1 20 8149 1 1 8 PRO CG C -8.487 -1.185 -7.984 1.00 . A A . 8 PRO CG 1 1 20 8150 1 1 8 PRO HA H -5.522 -0.983 -7.836 1.00 . A A . 8 PRO HA 1 1 20 8151 1 1 8 PRO HB2 H -7.805 0.755 -8.561 1.00 . A A . 8 PRO HB2 1 1 20 8152 1 1 8 PRO HB3 H -7.073 -0.576 -9.463 1.00 . A A . 8 PRO HB3 1 1 20 8153 1 1 8 PRO HD2 H -8.982 -0.350 -6.083 1.00 . A A . 8 PRO HD2 1 1 20 8154 1 1 8 PRO HD3 H -8.661 -2.097 -6.063 1.00 . A A . 8 PRO HD3 1 1 20 8155 1 1 8 PRO HG2 H -9.463 -0.844 -8.296 1.00 . A A . 8 PRO HG2 1 1 20 8156 1 1 8 PRO HG3 H -8.304 -2.186 -8.347 1.00 . A A . 8 PRO HG3 1 1 20 8157 1 1 8 PRO N N -6.942 -0.881 -6.270 1.00 . A A . 8 PRO N 1 1 20 8158 1 1 8 PRO O O -4.888 1.539 -8.002 1.00 . A A . 8 PRO O 1 1 20 8159 1 1 9 HIS C C -4.262 2.988 -5.291 1.00 . A A . 9 HIS C 1 1 20 8160 1 1 9 HIS CA C -5.687 3.047 -5.816 1.00 . A A . 9 HIS CA 1 1 20 8161 1 1 9 HIS CB C -6.592 3.683 -4.759 1.00 . A A . 9 HIS CB 1 1 20 8162 1 1 9 HIS CD2 C -5.364 5.846 -4.031 1.00 . A A . 9 HIS CD2 1 1 20 8163 1 1 9 HIS CE1 C -6.818 7.308 -4.776 1.00 . A A . 9 HIS CE1 1 1 20 8164 1 1 9 HIS CG C -6.380 5.156 -4.601 1.00 . A A . 9 HIS CG 1 1 20 8165 1 1 9 HIS H H -6.824 1.280 -5.578 1.00 . A A . 9 HIS H 1 1 20 8166 1 1 9 HIS HA H -5.709 3.650 -6.711 1.00 . A A . 9 HIS HA 1 1 20 8167 1 1 9 HIS HB2 H -7.624 3.521 -5.030 1.00 . A A . 9 HIS HB2 1 1 20 8168 1 1 9 HIS HB3 H -6.398 3.216 -3.802 1.00 . A A . 9 HIS HB3 1 1 20 8169 1 1 9 HIS HD1 H -8.118 5.914 -5.520 1.00 . A A . 9 HIS HD1 1 1 20 8170 1 1 9 HIS HD2 H -4.484 5.423 -3.566 1.00 . A A . 9 HIS HD2 1 1 20 8171 1 1 9 HIS HE1 H -7.309 8.240 -5.013 1.00 . A A . 9 HIS HE1 1 1 20 8172 1 1 9 HIS HE2 H -5.151 7.916 -3.753 1.00 . A A . 9 HIS HE2 1 1 20 8173 1 1 9 HIS N N -6.164 1.711 -6.157 1.00 . A A . 9 HIS N 1 1 20 8174 1 1 9 HIS ND1 N -7.275 6.100 -5.057 1.00 . A A . 9 HIS ND1 1 1 20 8175 1 1 9 HIS NE2 N -5.661 7.181 -4.152 1.00 . A A . 9 HIS NE2 1 1 20 8176 1 1 9 HIS O O -3.361 3.638 -5.821 1.00 . A A . 9 HIS O 1 1 20 8177 1 1 10 CYS C C -1.758 1.483 -4.641 1.00 . A A . 10 CYS C 1 1 20 8178 1 1 10 CYS CA C -2.760 2.038 -3.633 1.00 . A A . 10 CYS CA 1 1 20 8179 1 1 10 CYS CB C -2.852 1.113 -2.418 1.00 . A A . 10 CYS CB 1 1 20 8180 1 1 10 CYS H H -4.833 1.707 -3.875 1.00 . A A . 10 CYS H 1 1 20 8181 1 1 10 CYS HA H -2.424 3.012 -3.309 1.00 . A A . 10 CYS HA 1 1 20 8182 1 1 10 CYS HB2 H -2.904 0.091 -2.759 1.00 . A A . 10 CYS HB2 1 1 20 8183 1 1 10 CYS HB3 H -1.969 1.240 -1.810 1.00 . A A . 10 CYS HB3 1 1 20 8184 1 1 10 CYS N N -4.071 2.198 -4.244 1.00 . A A . 10 CYS N 1 1 20 8185 1 1 10 CYS O O -0.549 1.660 -4.490 1.00 . A A . 10 CYS O 1 1 20 8186 1 1 10 CYS SG S -4.305 1.416 -1.358 1.00 . A A . 10 CYS SG 1 1 20 8187 1 1 11 ARG C C -0.961 1.320 -7.686 1.00 . A A . 11 ARG C 1 1 20 8188 1 1 11 ARG CA C -1.413 0.243 -6.706 1.00 . A A . 11 ARG CA 1 1 20 8189 1 1 11 ARG CB C -2.153 -0.869 -7.453 1.00 . A A . 11 ARG CB 1 1 20 8190 1 1 11 ARG CD C -2.081 -2.661 -9.212 1.00 . A A . 11 ARG CD 1 1 20 8191 1 1 11 ARG CG C -1.318 -1.533 -8.536 1.00 . A A . 11 ARG CG 1 1 20 8192 1 1 11 ARG CZ C -0.371 -3.580 -10.731 1.00 . A A . 11 ARG CZ 1 1 20 8193 1 1 11 ARG H H -3.242 0.710 -5.744 1.00 . A A . 11 ARG H 1 1 20 8194 1 1 11 ARG HA H -0.543 -0.176 -6.222 1.00 . A A . 11 ARG HA 1 1 20 8195 1 1 11 ARG HB2 H -2.452 -1.626 -6.743 1.00 . A A . 11 ARG HB2 1 1 20 8196 1 1 11 ARG HB3 H -3.035 -0.451 -7.914 1.00 . A A . 11 ARG HB3 1 1 20 8197 1 1 11 ARG HD2 H -2.020 -3.543 -8.592 1.00 . A A . 11 ARG HD2 1 1 20 8198 1 1 11 ARG HD3 H -3.115 -2.367 -9.317 1.00 . A A . 11 ARG HD3 1 1 20 8199 1 1 11 ARG HE H -2.074 -2.717 -11.313 1.00 . A A . 11 ARG HE 1 1 20 8200 1 1 11 ARG HG2 H -1.055 -0.795 -9.278 1.00 . A A . 11 ARG HG2 1 1 20 8201 1 1 11 ARG HG3 H -0.420 -1.935 -8.089 1.00 . A A . 11 ARG HG3 1 1 20 8202 1 1 11 ARG HH11 H 0.071 -3.759 -8.765 1.00 . A A . 11 ARG HH11 1 1 20 8203 1 1 11 ARG HH12 H 1.257 -4.397 -9.853 1.00 . A A . 11 ARG HH12 1 1 20 8204 1 1 11 ARG HH21 H -0.515 -3.556 -12.746 1.00 . A A . 11 ARG HH21 1 1 20 8205 1 1 11 ARG HH22 H 0.925 -4.282 -12.113 1.00 . A A . 11 ARG HH22 1 1 20 8206 1 1 11 ARG N N -2.268 0.816 -5.673 1.00 . A A . 11 ARG N 1 1 20 8207 1 1 11 ARG NE N -1.539 -2.973 -10.533 1.00 . A A . 11 ARG NE 1 1 20 8208 1 1 11 ARG NH1 N 0.380 -3.941 -9.698 1.00 . A A . 11 ARG NH1 1 1 20 8209 1 1 11 ARG NH2 N 0.047 -3.826 -11.965 1.00 . A A . 11 ARG NH2 1 1 20 8210 1 1 11 ARG O O -1.575 1.516 -8.735 1.00 . A A . 11 ARG O 1 1 20 8211 1 1 12 THR C C 2.163 2.972 -8.308 1.00 . A A . 12 THR C 1 1 20 8212 1 1 12 THR CA C 0.644 3.081 -8.181 1.00 . A A . 12 THR CA 1 1 20 8213 1 1 12 THR CB C 0.258 4.448 -7.611 1.00 . A A . 12 THR CB 1 1 20 8214 1 1 12 THR CG2 C 0.811 5.611 -8.407 1.00 . A A . 12 THR CG2 1 1 20 8215 1 1 12 THR H H 0.556 1.819 -6.484 1.00 . A A . 12 THR H 1 1 20 8216 1 1 12 THR HA H 0.205 2.974 -9.162 1.00 . A A . 12 THR HA 1 1 20 8217 1 1 12 THR HB H 0.640 4.525 -6.603 1.00 . A A . 12 THR HB 1 1 20 8218 1 1 12 THR HG1 H -1.406 4.978 -6.724 1.00 . A A . 12 THR HG1 1 1 20 8219 1 1 12 THR HG21 H 1.222 5.248 -9.337 1.00 . A A . 12 THR HG21 1 1 20 8220 1 1 12 THR HG22 H 1.587 6.101 -7.837 1.00 . A A . 12 THR HG22 1 1 20 8221 1 1 12 THR HG23 H 0.018 6.315 -8.615 1.00 . A A . 12 THR HG23 1 1 20 8222 1 1 12 THR N N 0.113 2.019 -7.335 1.00 . A A . 12 THR N 1 1 20 8223 1 1 12 THR O O 2.674 2.428 -9.287 1.00 . A A . 12 THR O 1 1 20 8224 1 1 12 THR OG1 O -1.151 4.591 -7.565 1.00 . A A . 12 THR OG1 1 1 20 8225 1 1 13 MET C C 4.860 2.577 -6.172 1.00 . A A . 13 MET C 1 1 20 8226 1 1 13 MET CA C 4.335 3.445 -7.315 1.00 . A A . 13 MET CA 1 1 20 8227 1 1 13 MET CB C 4.908 4.859 -7.200 1.00 . A A . 13 MET CB 1 1 20 8228 1 1 13 MET CE C 5.797 6.682 -10.591 1.00 . A A . 13 MET CE 1 1 20 8229 1 1 13 MET CG C 4.477 5.783 -8.327 1.00 . A A . 13 MET CG 1 1 20 8230 1 1 13 MET H H 2.417 3.907 -6.558 1.00 . A A . 13 MET H 1 1 20 8231 1 1 13 MET HA H 4.653 3.014 -8.252 1.00 . A A . 13 MET HA 1 1 20 8232 1 1 13 MET HB2 H 4.584 5.291 -6.265 1.00 . A A . 13 MET HB2 1 1 20 8233 1 1 13 MET HB3 H 5.986 4.799 -7.205 1.00 . A A . 13 MET HB3 1 1 20 8234 1 1 13 MET HE1 H 6.016 5.647 -10.806 1.00 . A A . 13 MET HE1 1 1 20 8235 1 1 13 MET HE2 H 6.556 7.310 -11.034 1.00 . A A . 13 MET HE2 1 1 20 8236 1 1 13 MET HE3 H 4.832 6.939 -11.003 1.00 . A A . 13 MET HE3 1 1 20 8237 1 1 13 MET HG2 H 4.206 5.183 -9.183 1.00 . A A . 13 MET HG2 1 1 20 8238 1 1 13 MET HG3 H 3.618 6.350 -8.000 1.00 . A A . 13 MET HG3 1 1 20 8239 1 1 13 MET N N 2.878 3.489 -7.313 1.00 . A A . 13 MET N 1 1 20 8240 1 1 13 MET O O 6.061 2.547 -5.912 1.00 . A A . 13 MET O 1 1 20 8241 1 1 13 MET SD S 5.776 6.933 -8.818 1.00 . A A . 13 MET SD 1 1 20 8242 1 1 14 LYS C C 4.628 1.812 -3.122 1.00 . A A . 14 LYS C 1 1 20 8243 1 1 14 LYS CA C 4.309 1.001 -4.379 1.00 . A A . 14 LYS CA 1 1 20 8244 1 1 14 LYS CB C 5.484 0.078 -4.763 1.00 . A A . 14 LYS CB 1 1 20 8245 1 1 14 LYS CD C 7.389 -0.214 -3.140 1.00 . A A . 14 LYS CD 1 1 20 8246 1 1 14 LYS CE C 8.181 0.675 -2.195 1.00 . A A . 14 LYS CE 1 1 20 8247 1 1 14 LYS CG C 6.864 0.569 -4.333 1.00 . A A . 14 LYS CG 1 1 20 8248 1 1 14 LYS H H 3.006 1.946 -5.754 1.00 . A A . 14 LYS H 1 1 20 8249 1 1 14 LYS HA H 3.447 0.386 -4.168 1.00 . A A . 14 LYS HA 1 1 20 8250 1 1 14 LYS HB2 H 5.320 -0.889 -4.314 1.00 . A A . 14 LYS HB2 1 1 20 8251 1 1 14 LYS HB3 H 5.489 -0.037 -5.838 1.00 . A A . 14 LYS HB3 1 1 20 8252 1 1 14 LYS HD2 H 6.553 -0.637 -2.604 1.00 . A A . 14 LYS HD2 1 1 20 8253 1 1 14 LYS HD3 H 8.030 -1.007 -3.497 1.00 . A A . 14 LYS HD3 1 1 20 8254 1 1 14 LYS HE2 H 8.585 1.505 -2.756 1.00 . A A . 14 LYS HE2 1 1 20 8255 1 1 14 LYS HE3 H 7.516 1.049 -1.431 1.00 . A A . 14 LYS HE3 1 1 20 8256 1 1 14 LYS HG2 H 7.550 0.447 -5.158 1.00 . A A . 14 LYS HG2 1 1 20 8257 1 1 14 LYS HG3 H 6.802 1.614 -4.068 1.00 . A A . 14 LYS HG3 1 1 20 8258 1 1 14 LYS HZ1 H 10.071 0.596 -1.310 1.00 . A A . 14 LYS HZ1 1 1 20 8259 1 1 14 LYS HZ2 H 9.669 -0.791 -2.190 1.00 . A A . 14 LYS HZ2 1 1 20 8260 1 1 14 LYS HZ3 H 8.969 -0.520 -0.674 1.00 . A A . 14 LYS HZ3 1 1 20 8261 1 1 14 LYS N N 3.949 1.875 -5.496 1.00 . A A . 14 LYS N 1 1 20 8262 1 1 14 LYS NZ N 9.301 -0.062 -1.547 1.00 . A A . 14 LYS NZ 1 1 20 8263 1 1 14 LYS O O 5.347 1.348 -2.237 1.00 . A A . 14 LYS O 1 1 20 8264 1 1 15 ASN C C 3.648 3.303 -0.650 1.00 . A A . 15 ASN C 1 1 20 8265 1 1 15 ASN CA C 4.299 3.889 -1.899 1.00 . A A . 15 ASN CA 1 1 20 8266 1 1 15 ASN CB C 3.738 5.282 -2.182 1.00 . A A . 15 ASN CB 1 1 20 8267 1 1 15 ASN CG C 2.344 5.241 -2.780 1.00 . A A . 15 ASN CG 1 1 20 8268 1 1 15 ASN H H 3.512 3.338 -3.774 1.00 . A A . 15 ASN H 1 1 20 8269 1 1 15 ASN HA H 5.364 3.964 -1.737 1.00 . A A . 15 ASN HA 1 1 20 8270 1 1 15 ASN HB2 H 3.694 5.834 -1.262 1.00 . A A . 15 ASN HB2 1 1 20 8271 1 1 15 ASN HB3 H 4.391 5.794 -2.873 1.00 . A A . 15 ASN HB3 1 1 20 8272 1 1 15 ASN HD21 H 2.913 6.452 -4.251 1.00 . A A . 15 ASN HD21 1 1 20 8273 1 1 15 ASN HD22 H 1.263 5.941 -4.295 1.00 . A A . 15 ASN HD22 1 1 20 8274 1 1 15 ASN N N 4.081 3.022 -3.046 1.00 . A A . 15 ASN N 1 1 20 8275 1 1 15 ASN ND2 N 2.154 5.949 -3.887 1.00 . A A . 15 ASN ND2 1 1 20 8276 1 1 15 ASN O O 2.595 3.764 -0.210 1.00 . A A . 15 ASN O 1 1 20 8277 1 1 15 ASN OD1 O 1.449 4.580 -2.253 1.00 . A A . 15 ASN OD1 1 1 20 8278 1 1 16 VAL C C 3.364 2.625 2.181 1.00 . A A . 16 VAL C 1 1 20 8279 1 1 16 VAL CA C 3.770 1.617 1.109 1.00 . A A . 16 VAL CA 1 1 20 8280 1 1 16 VAL CB C 4.808 0.649 1.702 1.00 . A A . 16 VAL CB 1 1 20 8281 1 1 16 VAL CG1 C 4.194 -0.174 2.825 1.00 . A A . 16 VAL CG1 1 1 20 8282 1 1 16 VAL CG2 C 5.377 -0.255 0.618 1.00 . A A . 16 VAL CG2 1 1 20 8283 1 1 16 VAL H H 5.115 1.957 -0.490 1.00 . A A . 16 VAL H 1 1 20 8284 1 1 16 VAL HA H 2.902 1.044 0.825 1.00 . A A . 16 VAL HA 1 1 20 8285 1 1 16 VAL HB H 5.615 1.232 2.115 1.00 . A A . 16 VAL HB 1 1 20 8286 1 1 16 VAL HG11 H 4.578 -1.183 2.785 1.00 . A A . 16 VAL HG11 1 1 20 8287 1 1 16 VAL HG12 H 3.120 -0.193 2.711 1.00 . A A . 16 VAL HG12 1 1 20 8288 1 1 16 VAL HG13 H 4.447 0.270 3.776 1.00 . A A . 16 VAL HG13 1 1 20 8289 1 1 16 VAL HG21 H 5.686 -1.192 1.056 1.00 . A A . 16 VAL HG21 1 1 20 8290 1 1 16 VAL HG22 H 6.228 0.226 0.159 1.00 . A A . 16 VAL HG22 1 1 20 8291 1 1 16 VAL HG23 H 4.621 -0.439 -0.130 1.00 . A A . 16 VAL HG23 1 1 20 8292 1 1 16 VAL N N 4.282 2.279 -0.087 1.00 . A A . 16 VAL N 1 1 20 8293 1 1 16 VAL O O 2.353 2.447 2.860 1.00 . A A . 16 VAL O 1 1 20 8294 1 1 17 LEU C C 2.513 5.347 3.066 1.00 . A A . 17 LEU C 1 1 20 8295 1 1 17 LEU CA C 3.872 4.710 3.322 1.00 . A A . 17 LEU CA 1 1 20 8296 1 1 17 LEU CB C 4.965 5.780 3.304 1.00 . A A . 17 LEU CB 1 1 20 8297 1 1 17 LEU CD1 C 7.357 6.128 2.639 1.00 . A A . 17 LEU CD1 1 1 20 8298 1 1 17 LEU CD2 C 6.812 5.162 4.881 1.00 . A A . 17 LEU CD2 1 1 20 8299 1 1 17 LEU CG C 6.394 5.248 3.421 1.00 . A A . 17 LEU CG 1 1 20 8300 1 1 17 LEU H H 4.949 3.772 1.762 1.00 . A A . 17 LEU H 1 1 20 8301 1 1 17 LEU HA H 3.855 4.240 4.287 1.00 . A A . 17 LEU HA 1 1 20 8302 1 1 17 LEU HB2 H 4.882 6.334 2.380 1.00 . A A . 17 LEU HB2 1 1 20 8303 1 1 17 LEU HB3 H 4.789 6.456 4.126 1.00 . A A . 17 LEU HB3 1 1 20 8304 1 1 17 LEU HD11 H 8.187 5.531 2.289 1.00 . A A . 17 LEU HD11 1 1 20 8305 1 1 17 LEU HD12 H 7.725 6.916 3.280 1.00 . A A . 17 LEU HD12 1 1 20 8306 1 1 17 LEU HD13 H 6.843 6.561 1.794 1.00 . A A . 17 LEU HD13 1 1 20 8307 1 1 17 LEU HD21 H 6.857 6.156 5.301 1.00 . A A . 17 LEU HD21 1 1 20 8308 1 1 17 LEU HD22 H 7.784 4.697 4.951 1.00 . A A . 17 LEU HD22 1 1 20 8309 1 1 17 LEU HD23 H 6.091 4.573 5.428 1.00 . A A . 17 LEU HD23 1 1 20 8310 1 1 17 LEU HG H 6.436 4.253 3.001 1.00 . A A . 17 LEU HG 1 1 20 8311 1 1 17 LEU N N 4.156 3.682 2.330 1.00 . A A . 17 LEU N 1 1 20 8312 1 1 17 LEU O O 1.793 5.703 3.999 1.00 . A A . 17 LEU O 1 1 20 8313 1 1 18 ASN C C -0.243 5.075 1.617 1.00 . A A . 18 ASN C 1 1 20 8314 1 1 18 ASN CA C 0.897 6.063 1.397 1.00 . A A . 18 ASN CA 1 1 20 8315 1 1 18 ASN CB C 0.943 6.493 -0.071 1.00 . A A . 18 ASN CB 1 1 20 8316 1 1 18 ASN CG C 0.697 7.978 -0.247 1.00 . A A . 18 ASN CG 1 1 20 8317 1 1 18 ASN H H 2.792 5.167 1.106 1.00 . A A . 18 ASN H 1 1 20 8318 1 1 18 ASN HA H 0.726 6.932 2.013 1.00 . A A . 18 ASN HA 1 1 20 8319 1 1 18 ASN HB2 H 1.915 6.258 -0.478 1.00 . A A . 18 ASN HB2 1 1 20 8320 1 1 18 ASN HB3 H 0.188 5.953 -0.623 1.00 . A A . 18 ASN HB3 1 1 20 8321 1 1 18 ASN HD21 H 2.011 8.044 -1.738 1.00 . A A . 18 ASN HD21 1 1 20 8322 1 1 18 ASN HD22 H 1.250 9.544 -1.342 1.00 . A A . 18 ASN HD22 1 1 20 8323 1 1 18 ASN N N 2.172 5.478 1.795 1.00 . A A . 18 ASN N 1 1 20 8324 1 1 18 ASN ND2 N 1.389 8.583 -1.206 1.00 . A A . 18 ASN ND2 1 1 20 8325 1 1 18 ASN O O -1.377 5.469 1.894 1.00 . A A . 18 ASN O 1 1 20 8326 1 1 18 ASN OD1 O -0.106 8.576 0.469 1.00 . A A . 18 ASN OD1 1 1 20 8327 1 1 19 HIS C C -1.196 2.479 3.142 1.00 . A A . 19 HIS C 1 1 20 8328 1 1 19 HIS CA C -0.931 2.742 1.659 1.00 . A A . 19 HIS CA 1 1 20 8329 1 1 19 HIS CB C -0.476 1.457 0.950 1.00 . A A . 19 HIS CB 1 1 20 8330 1 1 19 HIS CD2 C -0.497 -0.703 2.364 1.00 . A A . 19 HIS CD2 1 1 20 8331 1 1 19 HIS CE1 C -2.530 -1.321 1.904 1.00 . A A . 19 HIS CE1 1 1 20 8332 1 1 19 HIS CG C -1.059 0.198 1.521 1.00 . A A . 19 HIS CG 1 1 20 8333 1 1 19 HIS H H 0.986 3.543 1.257 1.00 . A A . 19 HIS H 1 1 20 8334 1 1 19 HIS HA H -1.844 3.085 1.204 1.00 . A A . 19 HIS HA 1 1 20 8335 1 1 19 HIS HB2 H -0.764 1.510 -0.089 1.00 . A A . 19 HIS HB2 1 1 20 8336 1 1 19 HIS HB3 H 0.599 1.384 1.014 1.00 . A A . 19 HIS HB3 1 1 20 8337 1 1 19 HIS HD2 H 0.495 -0.665 2.782 1.00 . A A . 19 HIS HD2 1 1 20 8338 1 1 19 HIS HE1 H -3.462 -1.866 1.914 1.00 . A A . 19 HIS HE1 1 1 20 8339 1 1 19 HIS HE2 H -1.400 -2.350 3.304 1.00 . A A . 19 HIS HE2 1 1 20 8340 1 1 19 HIS N N 0.066 3.790 1.484 1.00 . A A . 19 HIS N 1 1 20 8341 1 1 19 HIS ND1 N -2.341 -0.203 1.235 1.00 . A A . 19 HIS ND1 1 1 20 8342 1 1 19 HIS NE2 N -1.441 -1.668 2.602 1.00 . A A . 19 HIS NE2 1 1 20 8343 1 1 19 HIS O O -2.324 2.614 3.613 1.00 . A A . 19 HIS O 1 1 20 8344 1 1 20 MET C C -0.902 3.000 6.046 1.00 . A A . 20 MET C 1 1 20 8345 1 1 20 MET CA C -0.285 1.819 5.298 1.00 . A A . 20 MET CA 1 1 20 8346 1 1 20 MET CB C 1.079 1.477 5.899 1.00 . A A . 20 MET CB 1 1 20 8347 1 1 20 MET CE C 1.036 -0.126 9.725 1.00 . A A . 20 MET CE 1 1 20 8348 1 1 20 MET CG C 1.011 0.445 7.013 1.00 . A A . 20 MET CG 1 1 20 8349 1 1 20 MET H H 0.723 2.009 3.444 1.00 . A A . 20 MET H 1 1 20 8350 1 1 20 MET HA H -0.938 0.967 5.404 1.00 . A A . 20 MET HA 1 1 20 8351 1 1 20 MET HB2 H 1.717 1.090 5.118 1.00 . A A . 20 MET HB2 1 1 20 8352 1 1 20 MET HB3 H 1.520 2.378 6.299 1.00 . A A . 20 MET HB3 1 1 20 8353 1 1 20 MET HE1 H 0.199 -0.771 9.948 1.00 . A A . 20 MET HE1 1 1 20 8354 1 1 20 MET HE2 H 1.396 0.324 10.639 1.00 . A A . 20 MET HE2 1 1 20 8355 1 1 20 MET HE3 H 1.827 -0.705 9.273 1.00 . A A . 20 MET HE3 1 1 20 8356 1 1 20 MET HG2 H 0.296 -0.316 6.738 1.00 . A A . 20 MET HG2 1 1 20 8357 1 1 20 MET HG3 H 1.987 -0.005 7.129 1.00 . A A . 20 MET HG3 1 1 20 8358 1 1 20 MET N N -0.154 2.102 3.872 1.00 . A A . 20 MET N 1 1 20 8359 1 1 20 MET O O -1.464 2.833 7.128 1.00 . A A . 20 MET O 1 1 20 8360 1 1 20 MET SD S 0.514 1.160 8.592 1.00 . A A . 20 MET SD 1 1 20 8361 1 1 21 THR C C -2.864 5.383 6.070 1.00 . A A . 21 THR C 1 1 20 8362 1 1 21 THR CA C -1.333 5.393 6.085 1.00 . A A . 21 THR CA 1 1 20 8363 1 1 21 THR CB C -0.786 6.640 5.371 1.00 . A A . 21 THR CB 1 1 20 8364 1 1 21 THR CG2 C -1.836 7.686 5.046 1.00 . A A . 21 THR CG2 1 1 20 8365 1 1 21 THR H H -0.328 4.265 4.609 1.00 . A A . 21 THR H 1 1 20 8366 1 1 21 THR HA H -1.001 5.408 7.110 1.00 . A A . 21 THR HA 1 1 20 8367 1 1 21 THR HB H -0.328 6.334 4.441 1.00 . A A . 21 THR HB 1 1 20 8368 1 1 21 THR HG1 H -0.186 7.566 6.988 1.00 . A A . 21 THR HG1 1 1 20 8369 1 1 21 THR HG21 H -2.397 7.922 5.938 1.00 . A A . 21 THR HG21 1 1 20 8370 1 1 21 THR HG22 H -2.505 7.302 4.291 1.00 . A A . 21 THR HG22 1 1 20 8371 1 1 21 THR HG23 H -1.353 8.579 4.679 1.00 . A A . 21 THR HG23 1 1 20 8372 1 1 21 THR N N -0.790 4.191 5.467 1.00 . A A . 21 THR N 1 1 20 8373 1 1 21 THR O O -3.501 6.112 6.830 1.00 . A A . 21 THR O 1 1 20 8374 1 1 21 THR OG1 O 0.204 7.271 6.163 1.00 . A A . 21 THR OG1 1 1 20 8375 1 1 22 HIS C C -5.410 3.045 5.075 1.00 . A A . 22 HIS C 1 1 20 8376 1 1 22 HIS CA C -4.908 4.485 5.099 1.00 . A A . 22 HIS CA 1 1 20 8377 1 1 22 HIS CB C -5.394 5.206 3.840 1.00 . A A . 22 HIS CB 1 1 20 8378 1 1 22 HIS CD2 C -4.483 3.371 2.214 1.00 . A A . 22 HIS CD2 1 1 20 8379 1 1 22 HIS CE1 C -4.199 4.642 0.454 1.00 . A A . 22 HIS CE1 1 1 20 8380 1 1 22 HIS CG C -4.864 4.633 2.555 1.00 . A A . 22 HIS CG 1 1 20 8381 1 1 22 HIS H H -2.897 4.009 4.612 1.00 . A A . 22 HIS H 1 1 20 8382 1 1 22 HIS HA H -5.324 4.980 5.963 1.00 . A A . 22 HIS HA 1 1 20 8383 1 1 22 HIS HB2 H -6.472 5.157 3.802 1.00 . A A . 22 HIS HB2 1 1 20 8384 1 1 22 HIS HB3 H -5.091 6.242 3.891 1.00 . A A . 22 HIS HB3 1 1 20 8385 1 1 22 HIS HD1 H -4.856 6.359 1.349 1.00 . A A . 22 HIS HD1 1 1 20 8386 1 1 22 HIS HD2 H -4.504 2.489 2.846 1.00 . A A . 22 HIS HD2 1 1 20 8387 1 1 22 HIS HE1 H -3.962 4.973 -0.547 1.00 . A A . 22 HIS HE1 1 1 20 8388 1 1 22 HIS HE2 H -3.518 2.725 0.485 1.00 . A A . 22 HIS HE2 1 1 20 8389 1 1 22 HIS N N -3.451 4.563 5.200 1.00 . A A . 22 HIS N 1 1 20 8390 1 1 22 HIS ND1 N -4.672 5.400 1.426 1.00 . A A . 22 HIS ND1 1 1 20 8391 1 1 22 HIS NE2 N -4.072 3.409 0.907 1.00 . A A . 22 HIS NE2 1 1 20 8392 1 1 22 HIS O O -6.617 2.805 5.113 1.00 . A A . 22 HIS O 1 1 20 8393 1 1 23 CYS C C -4.328 -0.072 6.119 1.00 . A A . 23 CYS C 1 1 20 8394 1 1 23 CYS CA C -4.862 0.698 4.915 1.00 . A A . 23 CYS CA 1 1 20 8395 1 1 23 CYS CB C -4.304 0.124 3.624 1.00 . A A . 23 CYS CB 1 1 20 8396 1 1 23 CYS H H -3.551 2.325 4.925 1.00 . A A . 23 CYS H 1 1 20 8397 1 1 23 CYS HA H -5.938 0.629 4.897 1.00 . A A . 23 CYS HA 1 1 20 8398 1 1 23 CYS HB2 H -3.463 0.727 3.313 1.00 . A A . 23 CYS HB2 1 1 20 8399 1 1 23 CYS HB3 H -3.965 -0.875 3.805 1.00 . A A . 23 CYS HB3 1 1 20 8400 1 1 23 CYS N N -4.495 2.091 4.980 1.00 . A A . 23 CYS N 1 1 20 8401 1 1 23 CYS O O -3.452 0.409 6.838 1.00 . A A . 23 CYS O 1 1 20 8402 1 1 23 CYS SG S -5.491 0.089 2.238 1.00 . A A . 23 CYS SG 1 1 20 8403 1 1 24 GLN C C -3.906 -3.448 6.954 1.00 . A A . 24 GLN C 1 1 20 8404 1 1 24 GLN CA C -4.439 -2.108 7.450 1.00 . A A . 24 GLN CA 1 1 20 8405 1 1 24 GLN CB C -5.604 -2.335 8.414 1.00 . A A . 24 GLN CB 1 1 20 8406 1 1 24 GLN CD C -7.467 -1.117 9.610 1.00 . A A . 24 GLN CD 1 1 20 8407 1 1 24 GLN CG C -6.014 -1.086 9.178 1.00 . A A . 24 GLN CG 1 1 20 8408 1 1 24 GLN H H -5.557 -1.599 5.726 1.00 . A A . 24 GLN H 1 1 20 8409 1 1 24 GLN HA H -3.647 -1.591 7.971 1.00 . A A . 24 GLN HA 1 1 20 8410 1 1 24 GLN HB2 H -6.459 -2.683 7.853 1.00 . A A . 24 GLN HB2 1 1 20 8411 1 1 24 GLN HB3 H -5.322 -3.092 9.130 1.00 . A A . 24 GLN HB3 1 1 20 8412 1 1 24 GLN HE21 H -8.056 -1.149 7.711 1.00 . A A . 24 GLN HE21 1 1 20 8413 1 1 24 GLN HE22 H -9.319 -1.168 8.889 1.00 . A A . 24 GLN HE22 1 1 20 8414 1 1 24 GLN HG2 H -5.395 -0.999 10.059 1.00 . A A . 24 GLN HG2 1 1 20 8415 1 1 24 GLN HG3 H -5.859 -0.225 8.544 1.00 . A A . 24 GLN HG3 1 1 20 8416 1 1 24 GLN N N -4.862 -1.270 6.333 1.00 . A A . 24 GLN N 1 1 20 8417 1 1 24 GLN NE2 N -8.372 -1.148 8.638 1.00 . A A . 24 GLN NE2 1 1 20 8418 1 1 24 GLN O O -3.912 -3.721 5.753 1.00 . A A . 24 GLN O 1 1 20 8419 1 1 24 GLN OE1 O -7.773 -1.113 10.802 1.00 . A A . 24 GLN OE1 1 1 20 8420 1 1 25 ALA C C -1.433 -5.506 7.171 1.00 . A A . 25 ALA C 1 1 20 8421 1 1 25 ALA CA C -2.902 -5.599 7.566 1.00 . A A . 25 ALA CA 1 1 20 8422 1 1 25 ALA CB C -3.710 -6.269 6.461 1.00 . A A . 25 ALA CB 1 1 20 8423 1 1 25 ALA H H -3.469 -3.994 8.827 1.00 . A A . 25 ALA H 1 1 20 8424 1 1 25 ALA HA H -2.981 -6.211 8.453 1.00 . A A . 25 ALA HA 1 1 20 8425 1 1 25 ALA HB1 H -3.821 -7.320 6.683 1.00 . A A . 25 ALA HB1 1 1 20 8426 1 1 25 ALA HB2 H -3.196 -6.153 5.518 1.00 . A A . 25 ALA HB2 1 1 20 8427 1 1 25 ALA HB3 H -4.685 -5.809 6.398 1.00 . A A . 25 ALA HB3 1 1 20 8428 1 1 25 ALA N N -3.444 -4.278 7.889 1.00 . A A . 25 ALA N 1 1 20 8429 1 1 25 ALA O O -1.093 -4.932 6.136 1.00 . A A . 25 ALA O 1 1 20 8430 1 1 26 GLY C C 1.699 -6.203 8.973 1.00 . A A . 26 GLY C 1 1 20 8431 1 1 26 GLY CA C 0.858 -6.044 7.722 1.00 . A A . 26 GLY CA 1 1 20 8432 1 1 26 GLY H H -0.894 -6.517 8.812 1.00 . A A . 26 GLY H 1 1 20 8433 1 1 26 GLY HA2 H 1.096 -6.846 7.037 1.00 . A A . 26 GLY HA2 1 1 20 8434 1 1 26 GLY HA3 H 1.102 -5.102 7.254 1.00 . A A . 26 GLY HA3 1 1 20 8435 1 1 26 GLY N N -0.565 -6.074 8.002 1.00 . A A . 26 GLY N 1 1 20 8436 1 1 26 GLY O O 2.318 -7.246 9.185 1.00 . A A . 26 GLY O 1 1 20 8437 1 1 27 LYS C C 1.715 -4.550 12.182 1.00 . A A . 27 LYS C 1 1 20 8438 1 1 27 LYS CA C 2.495 -5.193 11.040 1.00 . A A . 27 LYS CA 1 1 20 8439 1 1 27 LYS CB C 3.830 -4.473 10.849 1.00 . A A . 27 LYS CB 1 1 20 8440 1 1 27 LYS CD C 5.414 -6.369 11.308 1.00 . A A . 27 LYS CD 1 1 20 8441 1 1 27 LYS CE C 5.819 -7.226 12.496 1.00 . A A . 27 LYS CE 1 1 20 8442 1 1 27 LYS CG C 4.937 -4.995 11.750 1.00 . A A . 27 LYS CG 1 1 20 8443 1 1 27 LYS H H 1.209 -4.361 9.578 1.00 . A A . 27 LYS H 1 1 20 8444 1 1 27 LYS HA H 2.686 -6.227 11.288 1.00 . A A . 27 LYS HA 1 1 20 8445 1 1 27 LYS HB2 H 4.146 -4.590 9.822 1.00 . A A . 27 LYS HB2 1 1 20 8446 1 1 27 LYS HB3 H 3.692 -3.422 11.056 1.00 . A A . 27 LYS HB3 1 1 20 8447 1 1 27 LYS HD2 H 4.614 -6.863 10.777 1.00 . A A . 27 LYS HD2 1 1 20 8448 1 1 27 LYS HD3 H 6.264 -6.251 10.653 1.00 . A A . 27 LYS HD3 1 1 20 8449 1 1 27 LYS HE2 H 4.991 -7.278 13.186 1.00 . A A . 27 LYS HE2 1 1 20 8450 1 1 27 LYS HE3 H 6.055 -8.219 12.143 1.00 . A A . 27 LYS HE3 1 1 20 8451 1 1 27 LYS HG2 H 5.770 -4.308 11.715 1.00 . A A . 27 LYS HG2 1 1 20 8452 1 1 27 LYS HG3 H 4.564 -5.060 12.761 1.00 . A A . 27 LYS HG3 1 1 20 8453 1 1 27 LYS HZ1 H 7.010 -6.984 14.195 1.00 . A A . 27 LYS HZ1 1 1 20 8454 1 1 27 LYS HZ2 H 6.979 -5.630 13.182 1.00 . A A . 27 LYS HZ2 1 1 20 8455 1 1 27 LYS HZ3 H 7.880 -6.992 12.744 1.00 . A A . 27 LYS HZ3 1 1 20 8456 1 1 27 LYS N N 1.723 -5.165 9.803 1.00 . A A . 27 LYS N 1 1 20 8457 1 1 27 LYS NZ N 7.005 -6.669 13.204 1.00 . A A . 27 LYS NZ 1 1 20 8458 1 1 27 LYS O O 1.282 -5.288 13.092 1.00 . A A . 27 LYS O 1 1 20 8459 1 1 27 LYS OXT O 1.545 -3.312 12.158 1.00 . A A . 27 LYS OXT 1 1 20 8460 2 2 1 ZN ZN ZN -4.138 -0.076 0.380 1.00 . B A . 28 ZN ZN 1 1 stop_ save_
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