NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
625997 | 6cfb | 30409 | cing | 4-filtered-FRED | STAR | entry | full | 328 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6cfb # This FRED archive file contains, for PDB entry <6cfb>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6cfb _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6cfb _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3210.38 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 $barrettide_A A . 1 1 stop_ save_ save_barrettide_A _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "barrettide A" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code DVSPCFCVEDETSGAKTCVPDNCDASRGTNP _Entity.Number_of_monomers 31 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 ASP . 1 1 2 VAL . 1 1 3 SER . 1 1 4 PRO . 1 1 5 CYS . 1 1 6 PHE . 1 1 7 CYS . 1 1 8 VAL . 1 1 9 GLU . 1 1 10 ASP . 1 1 11 GLU . 1 1 12 THR . 1 1 13 SER . 1 1 14 GLY . 1 1 15 ALA . 1 1 16 LYS . 1 1 17 THR . 1 1 18 CYS . 1 1 19 VAL . 1 1 20 PRO . 1 1 21 ASP . 1 1 22 ASN . 1 1 23 CYS . 1 1 24 ASP . 1 1 25 ALA . 1 1 26 SER . 1 1 27 ARG . 1 1 28 GLY . 1 1 29 THR . 1 1 30 ASN . 1 1 31 PRO . 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 ASP 1 1 1 1 VAL 2 2 1 1 SER 3 3 1 1 PRO 4 4 1 1 CYS 5 5 1 1 PHE 6 6 1 1 CYS 7 7 1 1 VAL 8 8 1 1 GLU 9 9 1 1 ASP 10 10 1 1 GLU 11 11 1 1 THR 12 12 1 1 SER 13 13 1 1 GLY 14 14 1 1 ALA 15 15 1 1 LYS 16 16 1 1 THR 17 17 1 1 CYS 18 18 1 1 VAL 19 19 1 1 PRO 20 20 1 1 ASP 21 21 1 1 ASN 22 22 1 1 CYS 23 23 1 1 ASP 24 24 1 1 ALA 25 25 1 1 SER 26 26 1 1 ARG 27 27 1 1 GLY 28 28 1 1 THR 29 29 1 1 ASN 30 30 1 1 PRO 31 31 1 1 stop_ 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 1 265 1 . . . 1 1 266 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 18 CYS H . 18 . HN 1 1 1 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1 2 1 1 1 1 18 CYS H . 18 . HN 1 1 2 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1 3 1 1 1 1 17 THR H . 17 . HN 1 1 3 1 2 1 1 17 THR HB . 17 . HB 1 1 4 1 1 1 1 7 CYS H . 7 . HN 1 1 4 1 2 1 1 7 CYS HB2 . 7 . HB2 1 1 5 1 1 1 1 7 CYS H . 7 . HN 1 1 5 1 2 1 1 7 CYS HB3 . 7 . HB1 1 1 6 1 1 1 1 9 GLU HA . 9 . HA 1 1 6 1 2 1 1 16 LYS H . 16 . HN 1 1 7 1 1 1 1 2 VAL H . 2 . HN 1 1 7 1 2 1 1 2 VAL HB . 2 . HB 1 1 8 1 1 1 1 3 SER H . 3 . HN 1 1 8 1 2 1 1 3 SER HB2 . 3 . HB2 1 1 9 1 1 1 1 3 SER H . 3 . HN 1 1 9 1 2 1 1 3 SER HB3 . 3 . HB1 1 1 10 1 1 1 1 14 GLY H . 14 . HN 1 1 10 1 2 1 1 14 GLY HA2 . 14 . HA2 1 1 11 1 1 1 1 5 CYS H . 5 . HN 1 1 11 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 12 1 1 1 1 5 CYS H . 5 . HN 1 1 12 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 13 1 1 1 1 26 SER HA . 26 . HA 1 1 13 1 2 1 1 27 ARG H . 27 . HN 1 1 14 1 1 1 1 29 THR H . 29 . HN 1 1 14 1 2 1 1 29 THR HB . 29 . HB 1 1 15 1 1 1 1 11 GLU H . 11 . HN 1 1 15 1 2 1 1 11 GLU HB3 . 11 . HB1 1 1 16 1 1 1 1 8 VAL H . 8 . HN 1 1 16 1 2 1 1 8 VAL HB . 8 . HB 1 1 17 1 1 1 1 4 PRO HB3 . 4 . HB1 1 1 17 1 2 1 1 5 CYS H . 5 . HN 1 1 18 1 1 1 1 10 ASP H . 10 . HN 1 1 18 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1 19 1 1 1 1 10 ASP H . 10 . HN 1 1 19 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1 20 1 1 1 1 6 PHE HA . 6 . HA 1 1 20 1 2 1 1 7 CYS H . 7 . HN 1 1 21 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 21 1 2 1 1 6 PHE H . 6 . HN 1 1 22 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 22 1 2 1 1 6 PHE H . 6 . HN 1 1 23 1 1 1 1 5 CYS HA . 5 . HA 1 1 23 1 2 1 1 6 PHE H . 6 . HN 1 1 24 1 1 1 1 4 PRO HA . 4 . HA 1 1 24 1 2 1 1 5 CYS H . 5 . HN 1 1 25 1 1 1 1 7 CYS HA . 7 . HA 1 1 25 1 2 1 1 8 VAL H . 8 . HN 1 1 26 1 1 1 1 7 CYS HB2 . 7 . HB2 1 1 26 1 2 1 1 8 VAL H . 8 . HN 1 1 27 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1 27 1 2 1 1 8 VAL H . 8 . HN 1 1 28 1 1 1 1 16 LYS H . 16 . HN 1 1 28 1 2 1 1 16 LYS QB . 16 . HB# 1 1 29 1 1 1 1 9 GLU H . 9 . HN 1 1 29 1 2 1 1 9 GLU HB3 . 9 . HB1 1 1 30 1 1 1 1 21 ASP H . 21 . HN 1 1 30 1 2 1 1 21 ASP HB3 . 21 . HB1 1 1 31 1 1 1 1 25 ALA HA . 25 . HA 1 1 31 1 2 1 1 26 SER H . 26 . HN 1 1 32 1 1 1 1 15 ALA HA . 15 . HA 1 1 32 1 2 1 1 16 LYS H . 16 . HN 1 1 33 1 1 1 1 27 ARG HA . 27 . HA 1 1 33 1 2 1 1 28 GLY H . 28 . HN 1 1 34 1 1 1 1 16 LYS HA . 16 . HA 1 1 34 1 2 1 1 17 THR H . 17 . HN 1 1 35 1 1 1 1 17 THR HA . 17 . HA 1 1 35 1 2 1 1 18 CYS H . 18 . HN 1 1 36 1 1 1 1 19 VAL H . 19 . HN 1 1 36 1 2 1 1 19 VAL HB . 19 . HB 1 1 37 1 1 1 1 18 CYS HA . 18 . HA 1 1 37 1 2 1 1 19 VAL H . 19 . HN 1 1 38 1 1 1 1 17 THR HB . 17 . HB 1 1 38 1 2 1 1 18 CYS H . 18 . HN 1 1 39 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1 39 1 2 1 1 19 VAL H . 19 . HN 1 1 40 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1 40 1 2 1 1 19 VAL H . 19 . HN 1 1 41 1 1 1 1 2 VAL HA . 2 . HA 1 1 41 1 2 1 1 3 SER H . 3 . HN 1 1 42 1 1 1 1 2 VAL HB . 2 . HB 1 1 42 1 2 1 1 3 SER H . 3 . HN 1 1 43 1 1 1 1 8 VAL HA . 8 . HA 1 1 43 1 2 1 1 9 GLU H . 9 . HN 1 1 44 1 1 1 1 8 VAL HB . 8 . HB 1 1 44 1 2 1 1 9 GLU H . 9 . HN 1 1 45 1 1 1 1 9 GLU H . 9 . HN 1 1 45 1 2 1 1 9 GLU HB2 . 9 . HB2 1 1 46 1 1 1 1 9 GLU HB2 . 9 . HB2 1 1 46 1 2 1 1 10 ASP H . 10 . HN 1 1 47 1 1 1 1 9 GLU HB3 . 9 . HB1 1 1 47 1 2 1 1 10 ASP H . 10 . HN 1 1 48 1 1 1 1 9 GLU HA . 9 . HA 1 1 48 1 2 1 1 10 ASP H . 10 . HN 1 1 49 1 1 1 1 10 ASP HA . 10 . HA 1 1 49 1 2 1 1 11 GLU H . 11 . HN 1 1 50 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1 50 1 2 1 1 11 GLU H . 11 . HN 1 1 51 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1 51 1 2 1 1 11 GLU H . 11 . HN 1 1 52 1 1 1 1 11 GLU H . 11 . HN 1 1 52 1 2 1 1 11 GLU HB2 . 11 . HB2 1 1 53 1 1 1 1 11 GLU HB2 . 11 . HB2 1 1 53 1 2 1 1 12 THR H . 12 . HN 1 1 54 1 1 1 1 11 GLU HB3 . 11 . HB1 1 1 54 1 2 1 1 12 THR H . 12 . HN 1 1 55 1 1 1 1 12 THR H . 12 . HN 1 1 55 1 2 1 1 12 THR HB . 12 . HB 1 1 56 1 1 1 1 12 THR HB . 12 . HB 1 1 56 1 2 1 1 13 SER H . 13 . HN 1 1 57 1 1 1 1 13 SER HA . 13 . HA 1 1 57 1 2 1 1 15 ALA H . 15 . HN 1 1 58 1 1 1 1 16 LYS QB . 16 . HB# 1 1 58 1 2 1 1 17 THR H . 17 . HN 1 1 59 1 1 1 1 22 ASN H . 22 . HN 1 1 59 1 2 1 1 22 ASN HB2 . 22 . HB2 1 1 60 1 1 1 1 22 ASN H . 22 . HN 1 1 60 1 2 1 1 22 ASN HA . 22 . HA 1 1 61 1 1 1 1 24 ASP QB . 24 . HB# 1 1 61 1 2 1 1 25 ALA H . 25 . HN 1 1 62 1 1 1 1 23 CYS HA . 23 . HA 1 1 62 1 2 1 1 24 ASP H . 24 . HN 1 1 63 1 1 1 1 23 CYS H . 23 . HN 1 1 63 1 2 1 1 24 ASP H . 24 . HN 1 1 64 1 1 1 1 23 CYS H . 23 . HN 1 1 64 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 65 1 1 1 1 23 CYS HB3 . 23 . HB1 1 1 65 1 2 1 1 24 ASP H . 24 . HN 1 1 66 1 1 1 1 22 ASN HB2 . 22 . HB2 1 1 66 1 2 1 1 23 CYS H . 23 . HN 1 1 67 1 1 1 1 22 ASN H . 22 . HN 1 1 67 1 2 1 1 22 ASN HB3 . 22 . HB1 1 1 68 1 1 1 1 22 ASN HA . 22 . HA 1 1 68 1 2 1 1 23 CYS H . 23 . HN 1 1 69 1 1 1 1 21 ASP HA . 21 . HA 1 1 69 1 2 1 1 22 ASN H . 22 . HN 1 1 70 1 1 1 1 21 ASP HB2 . 21 . HB2 1 1 70 1 2 1 1 22 ASN H . 22 . HN 1 1 71 1 1 1 1 21 ASP HB3 . 21 . HB1 1 1 71 1 2 1 1 22 ASN H . 22 . HN 1 1 72 1 1 1 1 21 ASP H . 21 . HN 1 1 72 1 2 1 1 21 ASP HB2 . 21 . HB2 1 1 73 1 1 1 1 20 PRO HB2 . 20 . HB2 1 1 73 1 2 1 1 21 ASP H . 21 . HN 1 1 74 1 1 1 1 20 PRO HA . 20 . HA 1 1 74 1 2 1 1 21 ASP H . 21 . HN 1 1 75 1 1 1 1 19 VAL HA . 19 . HA 1 1 75 1 2 1 1 21 ASP H . 21 . HN 1 1 76 1 1 1 1 20 PRO HB3 . 20 . HB1 1 1 76 1 2 1 1 21 ASP H . 21 . HN 1 1 77 1 1 1 1 26 SER QB . 26 . HB# 1 1 77 1 2 1 1 27 ARG H . 27 . HN 1 1 78 1 1 1 1 8 VAL H . 8 . HN 1 1 78 1 2 1 1 18 CYS HA . 18 . HA 1 1 79 1 1 1 1 7 CYS HA . 7 . HA 1 1 79 1 2 1 1 17 THR H . 17 . HN 1 1 80 1 1 1 1 7 CYS HA . 7 . HA 1 1 80 1 2 1 1 19 VAL H . 19 . HN 1 1 81 1 1 1 1 10 ASP H . 10 . HN 1 1 81 1 2 1 1 16 LYS HA . 16 . HA 1 1 82 1 1 1 1 12 THR H . 12 . HN 1 1 82 1 2 1 1 13 SER H . 13 . HN 1 1 83 1 1 1 1 4 PRO HB2 . 4 . HB2 1 1 83 1 2 1 1 5 CYS H . 5 . HN 1 1 84 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1 84 1 2 1 1 13 SER H . 13 . HN 1 1 85 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1 85 1 2 1 1 13 SER H . 13 . HN 1 1 86 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1 86 1 2 1 1 12 THR H . 12 . HN 1 1 87 1 1 1 1 24 ASP HA . 24 . HA 1 1 87 1 2 1 1 26 SER H . 26 . HN 1 1 88 1 1 1 1 9 GLU HA . 9 . HA 1 1 88 1 2 1 1 17 THR H . 17 . HN 1 1 89 1 1 1 1 10 ASP HA . 10 . HA 1 1 89 1 2 1 1 12 THR H . 12 . HN 1 1 90 1 1 1 1 25 ALA H . 25 . HN 1 1 90 1 2 1 1 26 SER H . 26 . HN 1 1 91 1 1 1 1 10 ASP H . 10 . HN 1 1 91 1 2 1 1 11 GLU H . 11 . HN 1 1 92 1 1 1 1 11 GLU H . 11 . HN 1 1 92 1 2 1 1 12 THR H . 12 . HN 1 1 93 1 1 1 1 17 THR H . 17 . HN 1 1 93 1 2 1 1 18 CYS H . 18 . HN 1 1 94 1 1 1 1 18 CYS H . 18 . HN 1 1 94 1 2 1 1 19 VAL H . 19 . HN 1 1 95 1 1 1 1 6 PHE H . 6 . HN 1 1 95 1 2 1 1 19 VAL H . 19 . HN 1 1 96 1 1 1 1 21 ASP H . 21 . HN 1 1 96 1 2 1 1 22 ASN H . 22 . HN 1 1 97 1 1 1 1 11 GLU H . 11 . HN 1 1 97 1 2 1 1 13 SER H . 13 . HN 1 1 98 1 1 1 1 10 ASP H . 10 . HN 1 1 98 1 2 1 1 14 GLY H . 14 . HN 1 1 99 1 1 1 1 5 CYS H . 5 . HN 1 1 99 1 2 1 1 6 PHE H . 6 . HN 1 1 100 1 1 1 1 22 ASN H . 22 . HN 1 1 100 1 2 1 1 23 CYS H . 23 . HN 1 1 101 1 1 1 1 10 ASP H . 10 . HN 1 1 101 1 2 1 1 15 ALA H . 15 . HN 1 1 102 1 1 1 1 14 GLY H . 14 . HN 1 1 102 1 2 1 1 15 ALA H . 15 . HN 1 1 103 1 1 1 1 29 THR H . 29 . HN 1 1 103 1 2 1 1 30 ASN H . 30 . HN 1 1 104 1 1 1 1 28 GLY H . 28 . HN 1 1 104 1 2 1 1 29 THR H . 29 . HN 1 1 105 1 1 1 1 24 ASP H . 24 . HN 1 1 105 1 2 1 1 25 ALA H . 25 . HN 1 1 106 1 1 1 1 22 ASN HB3 . 22 . HB1 1 1 106 1 2 1 1 23 CYS H . 23 . HN 1 1 107 1 1 1 1 21 ASP HA . 21 . HA 1 1 107 1 2 1 1 23 CYS H . 23 . HN 1 1 108 1 1 1 1 18 CYS H . 18 . HN 1 1 108 1 2 1 1 21 ASP HA . 21 . HA 1 1 109 1 1 1 1 22 ASN HA . 22 . HA 1 1 109 1 2 1 1 24 ASP H . 24 . HN 1 1 110 1 1 1 1 1 ASP HA . 1 . HA 1 1 110 1 2 1 1 2 VAL H . 2 . HN 1 1 111 1 1 1 1 27 ARG H . 27 . HN 1 1 111 1 2 1 1 28 GLY H . 28 . HN 1 1 112 1 1 1 1 11 GLU H . 11 . HN 1 1 112 1 2 1 1 11 GLU QG . 11 . HG# 1 1 113 1 1 1 1 9 GLU H . 9 . HN 1 1 113 1 2 1 1 9 GLU QG . 9 . HG# 1 1 114 1 1 1 1 27 ARG H . 27 . HN 1 1 114 1 2 1 1 27 ARG QG . 27 . HG# 1 1 115 1 1 1 1 27 ARG HB2 . 27 . HB2 1 1 115 1 2 1 1 27 ARG HE . 27 . HE 1 1 116 1 1 1 1 27 ARG HB3 . 27 . HB1 1 1 116 1 2 1 1 27 ARG HE . 27 . HE 1 1 117 1 1 1 1 16 LYS H . 16 . HN 1 1 117 1 2 1 1 16 LYS QD . 16 . HD# 1 1 118 1 1 1 1 9 GLU QG . 9 . HG# 1 1 118 1 2 1 1 10 ASP H . 10 . HN 1 1 119 1 1 1 1 11 GLU QG . 11 . HG# 1 1 119 1 2 1 1 12 THR H . 12 . HN 1 1 120 1 1 1 1 16 LYS QD . 16 . HD# 1 1 120 1 2 1 1 17 THR H . 17 . HN 1 1 121 1 1 1 1 16 LYS HG2 . 16 . HG2 1 1 121 1 2 1 1 17 THR H . 17 . HN 1 1 122 1 1 1 1 16 LYS HG3 . 16 . HG1 1 1 122 1 2 1 1 17 THR H . 17 . HN 1 1 123 1 1 1 1 27 ARG QG . 27 . HG# 1 1 123 1 2 1 1 28 GLY H . 28 . HN 1 1 124 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1 124 1 2 1 1 24 ASP H . 24 . HN 1 1 125 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1 125 1 2 1 1 23 CYS H . 23 . HN 1 1 126 1 1 1 1 20 PRO HG3 . 20 . HG1 1 1 126 1 2 1 1 21 ASP H . 21 . HN 1 1 127 1 1 1 1 4 PRO HB3 . 4 . HB1 1 1 127 1 2 1 1 6 PHE QE . 6 . HE# 1 1 128 1 1 1 1 4 PRO HB3 . 4 . HB1 1 1 128 1 2 1 1 6 PHE QD . 6 . HD# 1 1 129 1 1 1 1 4 PRO HB2 . 4 . HB2 1 1 129 1 2 1 1 6 PHE QD . 6 . HD# 1 1 130 1 1 1 1 4 PRO HB2 . 4 . HB2 1 1 130 1 2 1 1 6 PHE QE . 6 . HE# 1 1 131 1 1 1 1 6 PHE QE . 6 . HE# 1 1 131 1 2 1 1 8 VAL HB . 8 . HB 1 1 132 1 1 1 1 6 PHE QD . 6 . HD# 1 1 132 1 2 1 1 8 VAL HB . 8 . HB 1 1 133 1 1 1 1 4 PRO QG . 4 . HG# 1 1 133 1 2 1 1 6 PHE QD . 6 . HD# 1 1 134 1 1 1 1 4 PRO QG . 4 . HG# 1 1 134 1 2 1 1 6 PHE QE . 6 . HE# 1 1 135 1 1 1 1 8 VAL H . 8 . HN 1 1 135 1 2 1 1 16 LYS HG2 . 16 . HG2 1 1 136 1 1 1 1 8 VAL H . 8 . HN 1 1 136 1 2 1 1 16 LYS HG3 . 16 . HG1 1 1 137 1 1 1 1 8 VAL HB . 8 . HB 1 1 137 1 2 1 1 17 THR H . 17 . HN 1 1 138 1 1 1 1 9 GLU QG . 9 . HG# 1 1 138 1 2 1 1 17 THR H . 17 . HN 1 1 139 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1 139 1 2 1 1 17 THR H . 17 . HN 1 1 140 1 1 1 1 6 PHE H . 6 . HN 1 1 140 1 2 1 1 19 VAL HB . 19 . HB 1 1 141 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1 141 1 2 1 1 24 ASP H . 24 . HN 1 1 142 1 1 1 1 6 PHE H . 6 . HN 1 1 142 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1 143 1 1 1 1 6 PHE H . 6 . HN 1 1 143 1 2 1 1 20 PRO QD . 20 . HD# 1 1 144 1 1 1 1 6 PHE H . 6 . HN 1 1 144 1 2 1 1 6 PHE QD . 6 . HD# 1 1 145 1 1 1 1 6 PHE H . 6 . HN 1 1 145 1 2 1 1 6 PHE QE . 6 . HE# 1 1 146 1 1 1 1 6 PHE QD . 6 . HD# 1 1 146 1 2 1 1 7 CYS HA . 7 . HA 1 1 147 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 147 1 2 1 1 6 PHE QE . 6 . HE# 1 1 148 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 148 1 2 1 1 6 PHE QD . 6 . HD# 1 1 149 1 1 1 1 9 GLU QG . 9 . HG# 1 1 149 1 2 1 1 15 ALA H . 15 . HN 1 1 150 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1 150 1 2 1 1 15 ALA H . 15 . HN 1 1 151 1 1 1 1 20 PRO HG3 . 20 . HG1 1 1 151 1 2 1 1 23 CYS H . 23 . HN 1 1 152 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1 152 1 2 1 1 15 ALA H . 15 . HN 1 1 153 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1 153 1 2 1 1 23 CYS H . 23 . HN 1 1 154 1 1 1 1 20 PRO QD . 20 . HD# 1 1 154 1 2 1 1 23 CYS H . 23 . HN 1 1 155 1 1 1 1 10 ASP H . 10 . HN 1 1 155 1 2 1 1 16 LYS HG2 . 16 . HG2 1 1 156 1 1 1 1 10 ASP H . 10 . HN 1 1 156 1 2 1 1 16 LYS HG3 . 16 . HG1 1 1 157 1 1 1 1 9 GLU QG . 9 . HG# 1 1 157 1 2 1 1 14 GLY H . 14 . HN 1 1 158 1 1 1 1 8 VAL H . 8 . HN 1 1 158 1 2 1 1 8 VAL QG . 8 . HG* 1 1 159 1 1 1 1 29 THR H . 29 . HN 1 1 159 1 2 1 1 29 THR MG . 29 . HG2# 1 1 160 1 1 1 1 15 ALA H . 15 . HN 1 1 160 1 2 1 1 15 ALA MB . 15 . HB# 1 1 161 1 1 1 1 17 THR H . 17 . HN 1 1 161 1 2 1 1 17 THR MG . 17 . HG2# 1 1 162 1 1 1 1 25 ALA MB . 25 . HB# 1 1 162 1 2 1 1 26 SER H . 26 . HN 1 1 163 1 1 1 1 12 THR H . 12 . HN 1 1 163 1 2 1 1 12 THR MG . 12 . HG2# 1 1 164 1 1 1 1 17 THR MG . 17 . HG2# 1 1 164 1 2 1 1 18 CYS H . 18 . HN 1 1 165 1 1 1 1 18 CYS H . 18 . HN 1 1 165 1 2 1 1 19 VAL QG . 19 . HG* 1 1 166 1 1 1 1 2 VAL QG . 2 . HG* 1 1 166 1 2 1 1 3 SER H . 3 . HN 1 1 167 1 1 1 1 8 VAL QG . 8 . HG* 1 1 167 1 2 1 1 9 GLU H . 9 . HN 1 1 168 1 1 1 1 12 THR MG . 12 . HG2# 1 1 168 1 2 1 1 13 SER H . 13 . HN 1 1 169 1 1 1 1 15 ALA MB . 15 . HB# 1 1 169 1 2 1 1 16 LYS H . 16 . HN 1 1 170 1 1 1 1 19 VAL QG . 19 . HG* 1 1 170 1 2 1 1 21 ASP H . 21 . HN 1 1 171 1 1 1 1 29 THR MG . 29 . HG2# 1 1 171 1 2 1 1 30 ASN H . 30 . HN 1 1 172 1 1 1 1 6 PHE QE . 6 . HE# 1 1 172 1 2 1 1 8 VAL QG . 8 . HG* 1 1 173 1 1 1 1 6 PHE QD . 6 . HD# 1 1 173 1 2 1 1 8 VAL QG . 8 . HG* 1 1 174 1 1 1 1 6 PHE QE . 6 . HE# 1 1 174 1 2 1 1 19 VAL QG . 19 . HG* 1 1 175 1 1 1 1 6 PHE QD . 6 . HD# 1 1 175 1 2 1 1 19 VAL QG . 19 . HG* 1 1 176 1 1 1 1 6 PHE QD . 6 . HD# 1 1 176 1 2 1 1 17 THR MG . 17 . HG2# 1 1 177 1 1 1 1 6 PHE QE . 6 . HE# 1 1 177 1 2 1 1 17 THR MG . 17 . HG2# 1 1 178 1 1 1 1 11 GLU H . 11 . HN 1 1 178 1 2 1 1 12 THR MG . 12 . HG2# 1 1 179 1 1 1 1 8 VAL QG . 8 . HG* 1 1 179 1 2 1 1 19 VAL H . 19 . HN 1 1 180 1 1 1 1 17 THR MG . 17 . HG2# 1 1 180 1 2 1 1 19 VAL H . 19 . HN 1 1 181 1 1 1 1 8 VAL QG . 8 . HG* 1 1 181 1 2 1 1 17 THR H . 17 . HN 1 1 182 1 1 1 1 6 PHE H . 6 . HN 1 1 182 1 2 1 1 19 VAL QG . 19 . HG* 1 1 183 1 1 1 1 7 CYS H . 7 . HN 1 1 183 1 2 1 1 8 VAL QG . 8 . HG* 1 1 184 1 1 1 1 8 VAL H . 8 . HN 1 1 184 1 2 1 1 17 THR MG . 17 . HG2# 1 1 185 1 1 1 1 16 LYS H . 16 . HN 1 1 185 1 2 1 1 17 THR MG . 17 . HG2# 1 1 186 1 1 1 1 10 ASP H . 10 . HN 1 1 186 1 2 1 1 17 THR MG . 17 . HG2# 1 1 187 1 1 1 1 24 ASP H . 24 . HN 1 1 187 1 2 1 1 25 ALA MB . 25 . HB# 1 1 188 1 1 1 1 22 ASN HD21 . 22 . HD21 1 1 188 1 2 1 1 25 ALA MB . 25 . HB# 1 1 189 1 1 1 1 22 ASN HD22 . 22 . HD22 1 1 189 1 2 1 1 25 ALA MB . 25 . HB# 1 1 190 1 1 1 1 14 GLY H . 14 . HN 1 1 190 1 2 1 1 15 ALA MB . 15 . HB# 1 1 191 1 1 1 1 10 ASP HA . 10 . HA 1 1 191 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1 192 1 1 1 1 13 SER HA . 13 . HA 1 1 192 1 2 1 1 13 SER HB2 . 13 . HB2 1 1 193 1 1 1 1 19 VAL HA . 19 . HA 1 1 193 1 2 1 1 20 PRO HA . 20 . HA 1 1 194 1 1 1 1 19 VAL HA . 19 . HA 1 1 194 1 2 1 1 20 PRO QB . 20 . HB# 1 1 195 1 1 1 1 18 CYS HA . 18 . HA 1 1 195 1 2 1 1 19 VAL HB . 19 . HB 1 1 196 1 1 1 1 7 CYS HA . 7 . HA 1 1 196 1 2 1 1 7 CYS HB3 . 7 . HB1 1 1 197 1 1 1 1 7 CYS HA . 7 . HA 1 1 197 1 2 1 1 8 VAL HB . 8 . HB 1 1 198 1 1 1 1 7 CYS HA . 7 . HA 1 1 198 1 2 1 1 7 CYS HB2 . 7 . HB2 1 1 199 1 1 1 1 6 PHE QB . 6 . HB# 1 1 199 1 2 1 1 7 CYS HA . 7 . HA 1 1 200 1 1 1 1 18 CYS HA . 18 . HA 1 1 200 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1 201 1 1 1 1 7 CYS HA . 7 . HA 1 1 201 1 2 1 1 8 VAL HA . 8 . HA 1 1 202 1 1 1 1 7 CYS HA . 7 . HA 1 1 202 1 2 1 1 18 CYS HA . 18 . HA 1 1 203 1 1 1 1 23 CYS HA . 23 . HA 1 1 203 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 204 1 1 1 1 23 CYS HA . 23 . HA 1 1 204 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 205 1 1 1 1 5 CYS HA . 5 . HA 1 1 205 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 206 1 1 1 1 4 PRO HA . 4 . HA 1 1 206 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 207 1 1 1 1 4 PRO HA . 4 . HA 1 1 207 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 208 1 1 1 1 22 ASN HA . 22 . HA 1 1 208 1 2 1 1 22 ASN HB2 . 22 . HB2 1 1 209 1 1 1 1 22 ASN HA . 22 . HA 1 1 209 1 2 1 1 22 ASN HB3 . 22 . HB1 1 1 210 1 1 1 1 13 SER HA . 13 . HA 1 1 210 1 2 1 1 13 SER HB3 . 13 . HB1 1 1 211 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1 211 1 2 1 1 21 ASP HA . 21 . HA 1 1 212 1 1 1 1 9 GLU HA . 9 . HA 1 1 212 1 2 1 1 16 LYS HA . 16 . HA 1 1 213 1 1 1 1 3 SER HA . 3 . HA 1 1 213 1 2 1 1 4 PRO HD2 . 4 . HD2 1 1 214 1 1 1 1 3 SER HA . 3 . HA 1 1 214 1 2 1 1 4 PRO HD3 . 4 . HD1 1 1 215 1 1 1 1 3 SER HA . 3 . HA 1 1 215 1 2 1 1 4 PRO QG . 4 . HG# 1 1 216 1 1 1 1 16 LYS HA . 16 . HA 1 1 216 1 2 1 1 16 LYS QD . 16 . HD# 1 1 217 1 1 1 1 16 LYS HA . 16 . HA 1 1 217 1 2 1 1 16 LYS QE . 16 . HE# 1 1 218 1 1 1 1 27 ARG HA . 27 . HA 1 1 218 1 2 1 1 27 ARG QD . 27 . HD# 1 1 219 1 1 1 1 26 SER HA . 26 . HA 1 1 219 1 2 1 1 27 ARG QG . 27 . HG# 1 1 220 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1 220 1 2 1 1 18 CYS HA . 18 . HA 1 1 221 1 1 1 1 7 CYS HA . 7 . HA 1 1 221 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1 222 1 1 1 1 5 CYS HA . 5 . HA 1 1 222 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 223 1 1 1 1 5 CYS HA . 5 . HA 1 1 223 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 224 1 1 1 1 7 CYS HB2 . 7 . HB2 1 1 224 1 2 1 1 18 CYS HA . 18 . HA 1 1 225 1 1 1 1 5 CYS HA . 5 . HA 1 1 225 1 2 1 1 20 PRO QD . 20 . HD# 1 1 226 1 1 1 1 20 PRO QD . 20 . HD# 1 1 226 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 227 1 1 1 1 20 PRO QD . 20 . HD# 1 1 227 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 228 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 228 1 2 1 1 20 PRO QD . 20 . HD# 1 1 229 1 1 1 1 9 GLU QG . 9 . HG# 1 1 229 1 2 1 1 16 LYS HA . 16 . HA 1 1 230 1 1 1 1 9 GLU HA . 9 . HA 1 1 230 1 2 1 1 16 LYS QB . 16 . HB# 1 1 231 1 1 1 1 6 PHE QB . 6 . HB# 1 1 231 1 2 1 1 19 VAL HB . 19 . HB 1 1 232 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1 232 1 2 1 1 19 VAL HB . 19 . HB 1 1 233 1 1 1 1 20 PRO HG2 . 20 . HG2 1 1 233 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 234 1 1 1 1 20 PRO HG3 . 20 . HG1 1 1 234 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 235 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1 235 1 2 1 1 16 LYS QB . 16 . HB# 1 1 236 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1 236 1 2 1 1 16 LYS QD . 16 . HD# 1 1 237 1 1 1 1 20 PRO HG3 . 20 . HG1 1 1 237 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 238 1 1 1 1 20 PRO HG2 . 20 . HG2 1 1 238 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 239 1 1 1 1 9 GLU QG . 9 . HG# 1 1 239 1 2 1 1 16 LYS QE . 16 . HE# 1 1 240 1 1 1 1 9 GLU HB2 . 9 . HB2 1 1 240 1 2 1 1 16 LYS HA . 16 . HA 1 1 241 1 1 1 1 9 GLU HB3 . 9 . HB1 1 1 241 1 2 1 1 16 LYS HA . 16 . HA 1 1 242 1 1 1 1 17 THR MG . 17 . HG2# 1 1 242 1 2 1 1 18 CYS HA . 18 . HA 1 1 243 1 1 1 1 7 CYS HA . 7 . HA 1 1 243 1 2 1 1 17 THR MG . 17 . HG2# 1 1 244 1 1 1 1 7 CYS HA . 7 . HA 1 1 244 1 2 1 1 19 VAL QG . 19 . HG* 1 1 245 1 1 1 1 7 CYS HA . 7 . HA 1 1 245 1 2 1 1 8 VAL QG . 8 . HG* 1 1 246 1 1 1 1 8 VAL QG . 8 . HG* 1 1 246 1 2 1 1 18 CYS HA . 18 . HA 1 1 247 1 1 1 1 18 CYS HA . 18 . HA 1 1 247 1 2 1 1 19 VAL QG . 19 . HG* 1 1 248 1 1 1 1 19 VAL QG . 19 . HG* 1 1 248 1 2 1 1 20 PRO HA . 20 . HA 1 1 249 1 1 1 1 19 VAL QG . 19 . HG* 1 1 249 1 2 1 1 20 PRO QD . 20 . HD# 1 1 250 1 1 1 1 6 PHE QB . 6 . HB# 1 1 250 1 2 1 1 19 VAL QG . 19 . HG* 1 1 251 1 1 1 1 8 VAL QG . 8 . HG* 1 1 251 1 2 1 1 17 THR HB . 17 . HB 1 1 252 1 1 1 1 3 SER H . 3 . HN 1 1 252 1 2 1 1 3 SER QB . 3 . HB# 1 1 253 1 1 1 1 3 SER HA . 3 . HA 1 1 253 1 2 1 1 4 PRO QD . 4 . HD# 1 1 254 1 1 1 1 10 ASP H . 10 . HN 1 1 254 1 2 1 1 13 SER QB . 13 . HB# 1 1 255 1 1 1 1 11 GLU H . 11 . HN 1 1 255 1 2 1 1 11 GLU QB . 11 . HB# 1 1 256 1 1 1 1 13 SER H . 13 . HN 1 1 256 1 2 1 1 13 SER QB . 13 . HB# 1 1 257 1 1 1 1 13 SER HA . 13 . HA 1 1 257 1 2 1 1 13 SER QB . 13 . HB# 1 1 258 1 1 1 1 13 SER QB . 13 . HB# 1 1 258 1 2 1 1 15 ALA H . 15 . HN 1 1 259 1 1 1 1 16 LYS H . 16 . HN 1 1 259 1 2 1 1 16 LYS QG . 16 . HG# 1 1 260 1 1 1 1 16 LYS HA . 16 . HA 1 1 260 1 2 1 1 16 LYS QG . 16 . HG# 1 1 261 1 1 1 1 16 LYS QG . 16 . HG# 1 1 261 1 2 1 1 17 THR H . 17 . HN 1 1 262 1 1 1 1 20 PRO QB . 20 . HB# 1 1 262 1 2 1 1 23 CYS H . 23 . HN 1 1 263 1 1 1 1 20 PRO QB . 20 . HB# 1 1 263 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 264 1 1 1 1 22 ASN H . 22 . HN 1 1 264 1 2 1 1 22 ASN QB . 22 . HB# 1 1 265 1 1 1 1 22 ASN QB . 22 . HB# 1 1 265 1 2 1 1 23 CYS H . 23 . HN 1 1 266 1 1 1 1 27 ARG H . 27 . HN 1 1 266 1 2 1 1 27 ARG QB . 27 . HB# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.845 1.8 3.89 1 1 2 1 . . . . . 2.38 1.8 2.96 1 1 3 1 . . . . . 2.505 1.8 3.21 1 1 4 1 . . . . . 2.565 1.8 3.33 1 1 5 1 . . . . . 2.89 1.8 3.98 1 1 6 1 . . . . . 2.845 1.8 3.89 1 1 7 1 . . . . . 2.985 1.8 4.17 1 1 8 1 . . . . . 2.875 1.8 3.95 1 1 9 1 . . . . . 2.875 1.8 3.95 1 1 10 1 . . . . . 2.195 1.8 2.59 1 1 11 1 . . . . . 2.565 1.8 3.33 1 1 12 1 . . . . . 2.505 1.8 3.21 1 1 13 1 . . . . . 2.425 1.8 3.05 1 1 14 1 . . . . . 2.89 1.8 3.98 1 1 15 1 . . . . . 2.75 1.8 3.7 1 1 16 1 . . . . . 2.595 1.8 3.39 1 1 17 1 . . . . . 2.675 1.8 3.55 1 1 18 1 . . . . . 2.35 1.8 2.9 1 1 19 1 . . . . . 2.425 1.8 3.05 1 1 20 1 . . . . . 2.365 1.8 2.93 1 1 21 1 . . . . . 3.185 1.8 4.57 1 1 22 1 . . . . . 3.14 1.8 4.48 1 1 23 1 . . . . . 2.195 1.8 2.59 1 1 24 1 . . . . . 2.315 1.8 2.83 1 1 25 1 . . . . . 2.16 1.8 2.52 1 1 26 1 . . . . . 2.78 1.8 3.76 1 1 27 1 . . . . . 2.505 1.8 3.21 1 1 28 1 . . . . . 2.79 1.8 3.78 1 1 29 1 . . . . . 2.735 1.8 3.67 1 1 30 1 . . . . . 2.625 1.8 3.45 1 1 31 1 . . . . . 2.535 1.8 3.27 1 1 32 1 . . . . . 2.195 1.8 2.59 1 1 33 1 . . . . . 2.58 1.8 3.36 1 1 34 1 . . . . . 2.18 1.8 2.56 1 1 35 1 . . . . . 2.16 1.8 2.52 1 1 36 1 . . . . . 2.535 1.8 3.27 1 1 37 1 . . . . . 2.24 1.8 2.68 1 1 38 1 . . . . . 2.905 1.8 4.01 1 1 39 1 . . . . . 2.58 1.8 3.36 1 1 40 1 . . . . . 2.535 1.8 3.27 1 1 41 1 . . . . . 2.35 1.8 2.9 1 1 42 1 . . . . . 3.26 1.8 4.72 1 1 43 1 . . . . . 2.1 1.8 2.4 1 1 44 1 . . . . . 2.705 1.8 3.61 1 1 45 1 . . . . . 2.735 1.8 3.67 1 1 46 1 . . . . . 3.155 1.8 4.51 1 1 47 1 . . . . . 3.155 1.8 4.51 1 1 48 1 . . . . . 2.38 1.8 2.96 1 1 49 1 . . . . . 2.225 1.8 2.65 1 1 50 1 . . . . . 3.34 1.8 4.88 1 1 51 1 . . . . . 3.09 1.8 4.38 1 1 52 1 . . . . . 2.75 1.8 3.7 1 1 53 1 . . . . . 2.955 1.8 4.11 1 1 54 1 . . . . . 2.955 1.8 4.11 1 1 55 1 . . . . . 2.675 1.8 3.55 1 1 56 1 . . . . . 2.61 1.8 3.42 1 1 57 1 . . . . . 3.23 1.8 4.66 1 1 58 1 . . . . . 3.345 1.8 4.89 1 1 59 1 . . . . . 2.845 1.8 3.89 1 1 60 1 . . . . . 2.255 1.8 2.71 1 1 61 1 . . . . . 3.795 1.8 5.79 1 1 62 1 . . . . . 2.55 1.8 3.3 1 1 63 1 . . . . . 2.705 1.8 3.61 1 1 64 1 . . . . . 2.38 1.8 2.96 1 1 65 1 . . . . . 3.17 1.8 4.54 1 1 66 1 . . . . . 3.26 1.8 4.72 1 1 67 1 . . . . . 2.845 1.8 3.89 1 1 68 1 . . . . . 2.625 1.8 3.45 1 1 69 1 . . . . . 2.21 1.8 2.62 1 1 70 1 . . . . . 3.09 1.8 4.38 1 1 71 1 . . . . . 2.97 1.8 4.14 1 1 72 1 . . . . . 2.365 1.8 2.93 1 1 73 1 . . . . . 2.625 1.8 3.45 1 1 74 1 . . . . . 2.565 1.8 3.33 1 1 75 1 . . . . . 2.66 1.8 3.52 1 1 76 1 . . . . . 2.625 1.8 3.45 1 1 77 1 . . . . . 3.78 1.8 5.76 1 1 78 1 . . . . . 2.86 1.8 3.92 1 1 79 1 . . . . . 3.48 1.8 5.16 1 1 80 1 . . . . . 2.86 1.8 3.92 1 1 81 1 . . . . . 2.75 1.8 3.7 1 1 82 1 . . . . . 2.505 1.8 3.21 1 1 83 1 . . . . . 2.97 1.8 4.14 1 1 84 1 . . . . . 2.535 1.8 3.27 1 1 85 1 . . . . . 3.11 1.8 4.42 1 1 86 1 . . . . . 3.65 1.8 5.5 1 1 87 1 . . . . . 3.42 1.8 5.04 1 1 88 1 . . . . . 3.23 1.8 4.66 1 1 89 1 . . . . . 2.69 1.8 3.58 1 1 90 1 . . . . . 2.75 1.8 3.7 1 1 91 1 . . . . . 3.03 1.8 4.26 1 1 92 1 . . . . . 2.485 1.8 3.17 1 1 93 1 . . . . . 3.37 1.8 4.94 1 1 94 1 . . . . . 3.605 1.8 5.41 1 1 95 1 . . . . . 2.765 1.8 3.73 1 1 96 1 . . . . . 3.26 1.8 4.72 1 1 97 1 . . . . . 3.51 1.8 5.22 1 1 98 1 . . . . . 3.57 1.8 5.34 1 1 99 1 . . . . . 3.37 1.8 4.94 1 1 100 1 . . . . . 2.565 1.8 3.33 1 1 101 1 . . . . . 2.83 1.8 3.86 1 1 102 1 . . . . . 2.41 1.8 3.02 1 1 103 1 . . . . . 3.48 1.8 5.16 1 1 104 1 . . . . . 3.65 1.8 5.5 1 1 105 1 . . . . . 2.675 1.8 3.55 1 1 106 1 . . . . . 3.26 1.8 4.72 1 1 107 1 . . . . . 2.97 1.8 4.14 1 1 108 1 . . . . . 2.985 1.8 4.17 1 1 109 1 . . . . . 3.015 1.8 4.23 1 1 110 1 . . . . . 2.41 1.8 3.02 1 1 111 1 . . . . . 3.015 1.8 4.23 1 1 112 1 . . . . . 3.905 1.8 6.01 1 1 113 1 . . . . . 4.09 1.8 6.38 1 1 114 1 . . . . . 4.09 1.8 6.38 1 1 115 1 . . . . . 3.65 1.8 5.5 1 1 116 1 . . . . . 3.65 1.8 5.5 1 1 117 1 . . . . . 4.09 1.8 6.38 1 1 118 1 . . . . . 3.92 1.8 6.04 1 1 119 1 . . . . . 4.09 1.8 6.38 1 1 120 1 . . . . . 4.09 1.8 6.38 1 1 121 1 . . . . . 3.525 1.8 5.25 1 1 122 1 . . . . . 3.525 1.8 5.25 1 1 123 1 . . . . . 4.09 1.8 6.38 1 1 124 1 . . . . . 3.42 1.8 5.04 1 1 125 1 . . . . . 2.815 1.8 3.83 1 1 126 1 . . . . . 3.65 1.8 5.5 1 1 127 1 . . . . . 4.715 1.8 7.63 1 1 128 1 . . . . . 4.715 1.8 7.63 1 1 129 1 . . . . . 4.715 1.8 7.63 1 1 130 1 . . . . . 4.715 1.8 7.63 1 1 131 1 . . . . . 4.715 1.8 7.63 1 1 132 1 . . . . . 4.715 1.8 7.63 1 1 133 1 . . . . . 5.16 1.8 8.52 1 1 134 1 . . . . . 5.16 1.8 8.52 1 1 135 1 . . . . . 3.65 1.8 5.5 1 1 136 1 . . . . . 3.65 1.8 5.5 1 1 137 1 . . . . . 3.65 1.8 5.5 1 1 138 1 . . . . . 4.09 1.8 6.38 1 1 139 1 . . . . . 3.65 1.8 5.5 1 1 140 1 . . . . . 3.65 1.8 5.5 1 1 141 1 . . . . . 3.65 1.8 5.5 1 1 142 1 . . . . . 3.65 1.8 5.5 1 1 143 1 . . . . . 4.095 1.8 6.39 1 1 144 1 . . . . . 4.715 1.8 7.63 1 1 145 1 . . . . . 4.715 1.8 7.63 1 1 146 1 . . . . . 4.715 1.8 7.63 1 1 147 1 . . . . . 4.715 1.8 7.63 1 1 148 1 . . . . . 4.715 1.8 7.63 1 1 149 1 . . . . . 4.09 1.8 6.38 1 1 150 1 . . . . . 3.65 1.8 5.5 1 1 151 1 . . . . . 3.65 1.8 5.5 1 1 152 1 . . . . . 2.675 1.8 3.55 1 1 153 1 . . . . . 3.31 1.8 4.82 1 1 154 1 . . . . . 4.095 1.8 6.39 1 1 155 1 . . . . . 3.65 1.8 5.5 1 1 156 1 . . . . . 3.65 1.8 5.5 1 1 157 1 . . . . . 4.09 1.8 6.38 1 1 158 1 . . . . . 4.065 1.8 6.33 1 1 159 1 . . . . . 4.16 1.8 6.52 1 1 160 1 . . . . . 2.89 1.8 3.98 1 1 161 1 . . . . . 3.71 1.8 5.62 1 1 162 1 . . . . . 3.755 1.8 5.71 1 1 163 1 . . . . . 3.615 1.8 5.43 1 1 164 1 . . . . . 3.475 1.8 5.15 1 1 165 1 . . . . . 4.7 1.8 7.6 1 1 166 1 . . . . . 4.7 1.8 7.6 1 1 167 1 . . . . . 4.28 1.8 6.76 1 1 168 1 . . . . . 4.16 1.8 6.52 1 1 169 1 . . . . . 3.34 1.8 4.88 1 1 170 1 . . . . . 4.7 1.8 7.6 1 1 171 1 . . . . . 4.16 1.8 6.52 1 1 172 1 . . . . . 5.765 1.8 9.73 1 1 173 1 . . . . . 5.765 1.8 9.73 1 1 174 1 . . . . . 5.765 1.8 9.73 1 1 175 1 . . . . . 5.765 1.8 9.73 1 1 176 1 . . . . . 5.225 1.8 8.65 1 1 177 1 . . . . . 5.225 1.8 8.65 1 1 178 1 . . . . . 4.16 1.8 6.52 1 1 179 1 . . . . . 4.7 1.8 7.6 1 1 180 1 . . . . . 4.16 1.8 6.52 1 1 181 1 . . . . . 4.7 1.8 7.6 1 1 182 1 . . . . . 4.7 1.8 7.6 1 1 183 1 . . . . . 4.7 1.8 7.6 1 1 184 1 . . . . . 4.16 1.8 6.52 1 1 185 1 . . . . . 4.16 1.8 6.52 1 1 186 1 . . . . . 4.16 1.8 6.52 1 1 187 1 . . . . . 4.16 1.8 6.52 1 1 188 1 . . . . . 4.16 1.8 6.52 1 1 189 1 . . . . . 4.16 1.8 6.52 1 1 190 1 . . . . . 4.16 1.8 6.52 1 1 191 1 . . . . . 2.395 1.8 2.99 1 1 192 1 . . . . . 2.365 1.8 2.93 1 1 193 1 . . . . . 2.1 1.8 2.4 1 1 194 1 . . . . . 3.52 1.8 5.24 1 1 195 1 . . . . . 3.48 1.8 5.16 1 1 196 1 . . . . . 2.27 1.8 2.74 1 1 197 1 . . . . . 3.525 1.8 5.25 1 1 198 1 . . . . . 2.41 1.8 3.02 1 1 199 1 . . . . . 3.36 1.8 4.92 1 1 200 1 . . . . . 2.335 1.8 2.87 1 1 201 1 . . . . . 3.51 1.8 5.22 1 1 202 1 . . . . . 2.115 1.8 2.43 1 1 203 1 . . . . . 2.35 1.8 2.9 1 1 204 1 . . . . . 2.335 1.8 2.87 1 1 205 1 . . . . . 2.395 1.8 2.99 1 1 206 1 . . . . . 3.215 1.8 4.63 1 1 207 1 . . . . . 3.34 1.8 4.88 1 1 208 1 . . . . . 2.41 1.8 3.02 1 1 209 1 . . . . . 2.41 1.8 3.02 1 1 210 1 . . . . . 2.365 1.8 2.93 1 1 211 1 . . . . . 3.03 1.8 4.26 1 1 212 1 . . . . . 2.505 1.8 3.21 1 1 213 1 . . . . . 2.595 1.8 3.39 1 1 214 1 . . . . . 2.595 1.8 3.39 1 1 215 1 . . . . . 3.845 1.8 5.89 1 1 216 1 . . . . . 4.09 1.8 6.38 1 1 217 1 . . . . . 4.09 1.8 6.38 1 1 218 1 . . . . . 4.09 1.8 6.38 1 1 219 1 . . . . . 3.935 1.8 6.07 1 1 220 1 . . . . . 3.215 1.8 4.63 1 1 221 1 . . . . . 3.23 1.8 4.66 1 1 222 1 . . . . . 3.45 1.8 5.1 1 1 223 1 . . . . . 3.65 1.8 5.5 1 1 224 1 . . . . . 3.65 1.8 5.5 1 1 225 1 . . . . . 3.425 1.8 5.05 1 1 226 1 . . . . . 3.335 1.8 4.87 1 1 227 1 . . . . . 4.095 1.8 6.39 1 1 228 1 . . . . . 4.095 1.8 6.39 1 1 229 1 . . . . . 4.09 1.8 6.38 1 1 230 1 . . . . . 4.09 1.8 6.38 1 1 231 1 . . . . . 3.78 1.8 5.76 1 1 232 1 . . . . . 3.62 1.8 5.44 1 1 233 1 . . . . . 3.65 1.8 5.5 1 1 234 1 . . . . . 3.51 1.8 5.22 1 1 235 1 . . . . . 4.09 1.8 6.38 1 1 236 1 . . . . . 4.09 1.8 6.38 1 1 237 1 . . . . . 2.92 1.8 4.04 1 1 238 1 . . . . . 3.125 1.8 4.45 1 1 239 1 . . . . . 4.53 1.8 7.26 1 1 240 1 . . . . . 3.65 1.8 5.5 1 1 241 1 . . . . . 3.65 1.8 5.5 1 1 242 1 . . . . . 4.16 1.8 6.52 1 1 243 1 . . . . . 4.16 1.8 6.52 1 1 244 1 . . . . . 4.7 1.8 7.6 1 1 245 1 . . . . . 4.7 1.8 7.6 1 1 246 1 . . . . . 4.7 1.8 7.6 1 1 247 1 . . . . . 4.7 1.8 7.6 1 1 248 1 . . . . . 3.785 1.8 5.77 1 1 249 1 . . . . . 5.145 1.8 8.49 1 1 250 1 . . . . . 5.015 1.8 8.23 1 1 251 1 . . . . . 4.375 1.8 6.95 1 1 252 1 . . . . . 2.6 1.8 3.4 1 1 253 1 . . . . . 2.31 1.8 2.82 1 1 254 1 . . . . . 3.455 1.8 5.11 1 1 255 1 . . . . . 2.45 1.8 3.1 1 1 256 1 . . . . . 2.295 1.8 2.79 1 1 257 1 . . . . . 2.15 1.8 2.5 1 1 258 1 . . . . . 2.825 1.8 3.85 1 1 259 1 . . . . . 3.57 1.8 5.34 1 1 260 1 . . . . . 2.73 1.8 3.66 1 1 261 1 . . . . . 3.11 1.8 4.42 1 1 262 1 . . . . . 3.165 1.8 4.53 1 1 263 1 . . . . . 3.105 1.8 4.41 1 1 264 1 . . . . . 2.57 1.8 3.34 1 1 265 1 . . . . . 2.865 1.8 3.93 1 1 266 1 . . . . . 2.575 1.8 3.35 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 6 PHE H . 6 . HN 1 2 1 1 2 1 1 19 VAL O . 19 . O 1 2 2 1 1 1 1 6 PHE N . 6 . N 1 2 2 1 2 1 1 19 VAL O . 19 . O 1 2 3 1 1 1 1 8 VAL H . 8 . HN 1 2 3 1 2 1 1 17 THR O . 17 . O 1 2 4 1 1 1 1 8 VAL N . 8 . N 1 2 4 1 2 1 1 17 THR O . 17 . O 1 2 5 1 1 1 1 10 ASP OD1 . 10 . OD1 1 2 5 1 1 1 1 10 ASP OD2 . 10 . OD2 1 2 5 1 2 1 1 12 THR H . 12 . HN 1 2 6 1 1 1 1 10 ASP OD1 . 10 . OD1 1 2 6 1 1 1 1 10 ASP OD2 . 10 . OD2 1 2 6 1 2 1 1 12 THR N . 12 . N 1 2 7 1 1 1 1 10 ASP O . 10 . O 1 2 7 1 2 1 1 14 GLY H . 14 . HN 1 2 8 1 1 1 1 10 ASP O . 10 . O 1 2 8 1 2 1 1 14 GLY N . 14 . N 1 2 9 1 1 1 1 10 ASP O . 10 . O 1 2 9 1 2 1 1 15 ALA H . 15 . HN 1 2 10 1 1 1 1 10 ASP O . 10 . O 1 2 10 1 2 1 1 15 ALA N . 15 . N 1 2 11 1 1 1 1 8 VAL O . 8 . O 1 2 11 1 2 1 1 17 THR H . 17 . HN 1 2 12 1 1 1 1 8 VAL O . 8 . O 1 2 12 1 2 1 1 17 THR N . 17 . N 1 2 13 1 1 1 1 6 PHE O . 6 . O 1 2 13 1 2 1 1 19 VAL H . 19 . HN 1 2 14 1 1 1 1 6 PHE O . 6 . O 1 2 14 1 2 1 1 19 VAL N . 19 . N 1 2 15 1 1 1 1 20 PRO O . 20 . O 1 2 15 1 2 1 1 23 CYS H . 23 . HN 1 2 16 1 1 1 1 20 PRO O . 20 . O 1 2 16 1 2 1 1 23 CYS N . 23 . N 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.3 0.0 2.3 1 2 2 1 . . . . . 3.3 0.0 3.3 1 2 3 1 . . . . . 2.3 0.0 2.3 1 2 4 1 . . . . . 3.3 0.0 3.3 1 2 5 1 . . . . . 2.3 0.0 2.3 1 2 6 1 . . . . . 3.3 0.0 3.3 1 2 7 1 . . . . . 2.3 0.0 2.3 1 2 8 1 . . . . . 3.3 0.0 3.3 1 2 9 1 . . . . . 2.3 0.0 2.3 1 2 10 1 . . . . . 3.3 0.0 3.3 1 2 11 1 . . . . . 2.3 0.0 2.3 1 2 12 1 . . . . . 3.3 0.0 3.3 1 2 13 1 . . . . . 2.3 0.0 2.3 1 2 14 1 . . . . . 3.3 0.0 3.3 1 2 15 1 . . . . . 2.3 0.0 2.3 1 2 16 1 . . . . . 3.3 0.0 3.3 1 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 4 PRO C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -103.899994 -59.099995 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 2 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C 1 1 6 PHE N 103.8 143.8 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 3 . 1 1 5 CYS C 1 1 6 PHE N 1 1 6 PHE CA 1 1 6 PHE C -135.0 -85.8 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 4 . 1 1 6 PHE N 1 1 6 PHE CA 1 1 6 PHE C 1 1 7 CYS N 113.7 153.7 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 5 . 1 1 6 PHE C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -152.6 -112.6 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 6 . 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C 1 1 8 VAL N 129.7 169.7 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 7 . 1 1 7 CYS C 1 1 8 VAL N 1 1 8 VAL CA 1 1 8 VAL C -146.8 -101.2 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 8 . 1 1 8 VAL N 1 1 8 VAL CA 1 1 8 VAL C 1 1 9 GLU N 113.0 156.4 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 9 . 1 1 8 VAL C 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C -145.2 -57.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 10 . 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C 1 1 10 ASP N 106.399994 159.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 11 . 1 1 9 GLU C 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP C -104.4 -50.999996 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 12 . 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP C 1 1 11 GLU N 101.6 141.6 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 13 . 1 1 10 ASP C 1 1 11 GLU N 1 1 11 GLU CA 1 1 11 GLU C -89.3 -49.3 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 14 . 1 1 11 GLU N 1 1 11 GLU CA 1 1 11 GLU C 1 1 12 THR N -48.9 -2.2999997 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 15 . 1 1 11 GLU C 1 1 12 THR N 1 1 12 THR CA 1 1 12 THR C -97.1 -57.1 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 16 . 1 1 12 THR N 1 1 12 THR CA 1 1 12 THR C 1 1 13 SER N -55.6 -14.6 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 17 . 1 1 12 THR C 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C -137.1 -80.3 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 18 . 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C 1 1 14 GLY N -42.7 -2.7 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 19 . 1 1 15 ALA C 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C -102.8 -62.799995 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 20 . 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C 1 1 17 THR N 103.4 143.39998 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 21 . 1 1 16 LYS C 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR C -140.1 -94.3 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 22 . 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR C 1 1 18 CYS N 111.1 151.1 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 23 . 1 1 17 THR C 1 1 18 CYS N 1 1 18 CYS CA 1 1 18 CYS C -151.7 -111.7 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 24 . 1 1 18 CYS N 1 1 18 CYS CA 1 1 18 CYS C 1 1 19 VAL N 122.3 174.5 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 25 . 1 1 18 CYS C 1 1 19 VAL N 1 1 19 VAL CA 1 1 19 VAL C -158.59999 -95.2 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 26 . 1 1 19 VAL N 1 1 19 VAL CA 1 1 19 VAL C 1 1 20 PRO N 88.2 180.8 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 27 . 1 1 19 VAL C 1 1 20 PRO N 1 1 20 PRO CA 1 1 20 PRO C -87.8 -47.8 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 28 . 1 1 20 PRO N 1 1 20 PRO CA 1 1 20 PRO C 1 1 21 ASP N 126.899994 170.3 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1 29 . 1 1 20 PRO C 1 1 21 ASP N 1 1 21 ASP CA 1 1 21 ASP C -116.9 -37.7 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 30 . 1 1 21 ASP C 1 1 22 ASN N 1 1 22 ASN CA 1 1 22 ASN C -5.1 94.9 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1 31 . 1 1 22 ASN N 1 1 22 ASN CA 1 1 22 ASN C 1 1 23 CYS N -35.4 98.6 . 22 . N . 22 . CA . 22 . C . 23 . N 1 1 32 . 1 1 23 CYS C 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C -100.8 -50.999996 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 33 . 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C 1 1 25 ALA N 78.9 171.3 . 24 . N . 24 . CA . 24 . C . 25 . N 1 1 34 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS CB 1 1 5 CYS SG 150.0 210.0 . 5 . N . 5 . CA . 5 . CB . 5 . SG 1 1 35 . 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS CB 1 1 7 CYS SG -89.99999 -30.0 . 7 . N . 7 . CA . 7 . CB . 7 . SG 1 1 36 . 1 1 18 CYS N 1 1 18 CYS CA 1 1 18 CYS CB 1 1 18 CYS SG -89.99999 -30.0 . 18 . N . 18 . CA . 18 . CB . 18 . SG 1 1 37 . 1 1 23 CYS N 1 1 23 CYS CA 1 1 23 CYS CB 1 1 23 CYS SG 30.0 89.99999 . 23 . N . 23 . CA . 23 . CB . 23 . SG 1 1 38 . 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP CB 1 1 10 ASP CG 150.0 210.0 . 10 . N . 10 . CA . 10 . CB . 10 . CG 1 1 39 . 1 1 21 ASP N 1 1 21 ASP CA 1 1 21 ASP CB 1 1 21 ASP CG 150.0 210.0 . 21 . N . 21 . CA . 21 . CB . 21 . CG 1 1 40 . 1 1 22 ASN N 1 1 22 ASN CA 1 1 22 ASN CB 1 1 22 ASN CG -89.99999 -30.0 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1 41 . 1 1 1 ASP C 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C -179.99998 -20.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 42 . 1 1 2 VAL C 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER C -179.99998 -20.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 43 . 1 1 2 VAL C 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER C -179.99998 -20.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 44 . 1 1 25 ALA C 1 1 26 SER N 1 1 26 SER CA 1 1 26 SER C -179.99998 -20.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 45 . 1 1 28 GLY C 1 1 29 THR N 1 1 29 THR CA 1 1 29 THR C -179.99998 -20.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 46 . 1 1 29 THR C 1 1 30 ASN N 1 1 30 ASN CA 1 1 30 ASN C -179.99998 -20.0 . 29 . C . 30 . N . 30 . CA . 30 . C 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 ASP C C 4.613 15.183 2.897 1.00 . A A . 1 ASP C 1 1 1 2 1 1 1 ASP CA C 5.227 15.521 4.222 1.00 . A A . 1 ASP CA 1 1 1 3 1 1 1 ASP CB C 6.463 14.627 4.425 1.00 . A A . 1 ASP CB 1 1 1 4 1 1 1 ASP CG C 7.273 14.980 5.632 1.00 . A A . 1 ASP CG 1 1 1 5 1 1 1 ASP H1 H 3.429 15.962 5.139 1.00 . A A . 1 ASP H1 1 1 1 6 1 1 1 ASP H2 H 4.637 15.500 6.231 1.00 . A A . 1 ASP H2 1 1 1 7 1 1 1 ASP H3 H 3.871 14.351 5.251 1.00 . A A . 1 ASP H3 1 1 1 8 1 1 1 ASP HA H 5.533 16.556 4.220 1.00 . A A . 1 ASP HA 1 1 1 9 1 1 1 ASP HB2 H 6.140 13.602 4.532 1.00 . A A . 1 ASP HB2 1 1 1 10 1 1 1 ASP HB3 H 7.094 14.700 3.552 1.00 . A A . 1 ASP HB3 1 1 1 11 1 1 1 ASP N N 4.237 15.323 5.289 1.00 . A A . 1 ASP N 1 1 1 12 1 1 1 ASP O O 3.452 14.744 2.831 1.00 . A A . 1 ASP O 1 1 1 13 1 1 1 ASP OD1 O 8.281 15.709 5.501 1.00 . A A . 1 ASP OD1 1 1 1 14 1 1 1 ASP OD2 O 6.932 14.527 6.726 1.00 . A A . 1 ASP OD2 1 1 1 15 1 1 2 VAL C C 4.997 13.480 0.423 1.00 . A A . 2 VAL C 1 1 1 16 1 1 2 VAL CA C 4.958 14.998 0.512 1.00 . A A . 2 VAL CA 1 1 1 17 1 1 2 VAL CB C 5.873 15.619 -0.582 1.00 . A A . 2 VAL CB 1 1 1 18 1 1 2 VAL CG1 C 5.467 15.145 -1.969 1.00 . A A . 2 VAL CG1 1 1 1 19 1 1 2 VAL CG2 C 5.819 17.134 -0.519 1.00 . A A . 2 VAL CG2 1 1 1 20 1 1 2 VAL H H 6.252 15.808 1.954 1.00 . A A . 2 VAL H 1 1 1 21 1 1 2 VAL HA H 3.940 15.334 0.367 1.00 . A A . 2 VAL HA 1 1 1 22 1 1 2 VAL HB H 6.889 15.306 -0.397 1.00 . A A . 2 VAL HB 1 1 1 23 1 1 2 VAL HG11 H 4.452 15.453 -2.165 1.00 . A A . 2 VAL HG11 1 1 1 24 1 1 2 VAL HG12 H 5.532 14.068 -2.015 1.00 . A A . 2 VAL HG12 1 1 1 25 1 1 2 VAL HG13 H 6.124 15.579 -2.706 1.00 . A A . 2 VAL HG13 1 1 1 26 1 1 2 VAL HG21 H 6.153 17.467 0.452 1.00 . A A . 2 VAL HG21 1 1 1 27 1 1 2 VAL HG22 H 4.804 17.465 -0.683 1.00 . A A . 2 VAL HG22 1 1 1 28 1 1 2 VAL HG23 H 6.460 17.550 -1.282 1.00 . A A . 2 VAL HG23 1 1 1 29 1 1 2 VAL N N 5.373 15.381 1.838 1.00 . A A . 2 VAL N 1 1 1 30 1 1 2 VAL O O 6.067 12.864 0.419 1.00 . A A . 2 VAL O 1 1 1 31 1 1 3 SER C C 2.769 10.993 -0.658 1.00 . A A . 3 SER C 1 1 1 32 1 1 3 SER CA C 3.769 11.456 0.398 1.00 . A A . 3 SER CA 1 1 1 33 1 1 3 SER CB C 3.408 10.948 1.791 1.00 . A A . 3 SER CB 1 1 1 34 1 1 3 SER H H 3.021 13.396 0.454 1.00 . A A . 3 SER H 1 1 1 35 1 1 3 SER HA H 4.747 11.078 0.141 1.00 . A A . 3 SER HA 1 1 1 36 1 1 3 SER HB2 H 2.435 11.325 2.071 1.00 . A A . 3 SER HB2 1 1 1 37 1 1 3 SER HB3 H 3.398 9.868 1.795 1.00 . A A . 3 SER HB3 1 1 1 38 1 1 3 SER HG H 5.209 11.496 2.249 1.00 . A A . 3 SER HG 1 1 1 39 1 1 3 SER N N 3.853 12.877 0.426 1.00 . A A . 3 SER N 1 1 1 40 1 1 3 SER O O 1.553 11.139 -0.487 1.00 . A A . 3 SER O 1 1 1 41 1 1 3 SER OG O 4.381 11.405 2.739 1.00 . A A . 3 SER OG 1 1 1 42 1 1 4 PRO C C 1.675 8.758 -2.385 1.00 . A A . 4 PRO C 1 1 1 43 1 1 4 PRO CA C 2.457 9.970 -2.881 1.00 . A A . 4 PRO CA 1 1 1 44 1 1 4 PRO CB C 3.484 9.524 -3.925 1.00 . A A . 4 PRO CB 1 1 1 45 1 1 4 PRO CD C 4.709 10.567 -2.186 1.00 . A A . 4 PRO CD 1 1 1 46 1 1 4 PRO CG C 4.670 10.374 -3.666 1.00 . A A . 4 PRO CG 1 1 1 47 1 1 4 PRO HA H 1.784 10.700 -3.305 1.00 . A A . 4 PRO HA 1 1 1 48 1 1 4 PRO HB2 H 3.709 8.478 -3.776 1.00 . A A . 4 PRO HB2 1 1 1 49 1 1 4 PRO HB3 H 3.092 9.675 -4.920 1.00 . A A . 4 PRO HB3 1 1 1 50 1 1 4 PRO HD2 H 5.254 9.764 -1.711 1.00 . A A . 4 PRO HD2 1 1 1 51 1 1 4 PRO HD3 H 5.148 11.523 -1.941 1.00 . A A . 4 PRO HD3 1 1 1 52 1 1 4 PRO HG2 H 5.563 9.868 -4.002 1.00 . A A . 4 PRO HG2 1 1 1 53 1 1 4 PRO HG3 H 4.563 11.325 -4.166 1.00 . A A . 4 PRO HG3 1 1 1 54 1 1 4 PRO N N 3.281 10.535 -1.810 1.00 . A A . 4 PRO N 1 1 1 55 1 1 4 PRO O O 2.199 7.941 -1.596 1.00 . A A . 4 PRO O 1 1 1 56 1 1 5 CYS C C -0.228 6.416 -3.401 1.00 . A A . 5 CYS C 1 1 1 57 1 1 5 CYS CA C -0.382 7.551 -2.438 1.00 . A A . 5 CYS CA 1 1 1 58 1 1 5 CYS CB C -1.830 7.944 -2.440 1.00 . A A . 5 CYS CB 1 1 1 59 1 1 5 CYS H H 0.114 9.280 -3.488 1.00 . A A . 5 CYS H 1 1 1 60 1 1 5 CYS HA H -0.121 7.242 -1.438 1.00 . A A . 5 CYS HA 1 1 1 61 1 1 5 CYS HB2 H -1.989 8.848 -1.871 1.00 . A A . 5 CYS HB2 1 1 1 62 1 1 5 CYS HB3 H -2.110 8.090 -3.474 1.00 . A A . 5 CYS HB3 1 1 1 63 1 1 5 CYS N N 0.461 8.637 -2.832 1.00 . A A . 5 CYS N 1 1 1 64 1 1 5 CYS O O 0.031 6.640 -4.591 1.00 . A A . 5 CYS O 1 1 1 65 1 1 5 CYS SG S -2.888 6.619 -1.785 1.00 . A A . 5 CYS SG 1 1 1 66 1 1 6 PHE C C -1.406 3.142 -3.382 1.00 . A A . 6 PHE C 1 1 1 67 1 1 6 PHE CA C -0.311 4.099 -3.802 1.00 . A A . 6 PHE CA 1 1 1 68 1 1 6 PHE CB C 1.047 3.408 -3.840 1.00 . A A . 6 PHE CB 1 1 1 69 1 1 6 PHE CD1 C 1.310 3.102 -6.287 1.00 . A A . 6 PHE CD1 1 1 1 70 1 1 6 PHE CD2 C 1.212 1.154 -4.927 1.00 . A A . 6 PHE CD2 1 1 1 71 1 1 6 PHE CE1 C 1.437 2.330 -7.409 1.00 . A A . 6 PHE CE1 1 1 1 72 1 1 6 PHE CE2 C 1.342 0.364 -6.053 1.00 . A A . 6 PHE CE2 1 1 1 73 1 1 6 PHE CG C 1.196 2.530 -5.037 1.00 . A A . 6 PHE CG 1 1 1 74 1 1 6 PHE CZ C 1.454 0.954 -7.298 1.00 . A A . 6 PHE CZ 1 1 1 75 1 1 6 PHE H H -0.377 5.075 -1.948 1.00 . A A . 6 PHE H 1 1 1 76 1 1 6 PHE HA H -0.549 4.472 -4.788 1.00 . A A . 6 PHE HA 1 1 1 77 1 1 6 PHE HB2 H 1.822 4.159 -3.869 1.00 . A A . 6 PHE HB2 1 1 1 78 1 1 6 PHE HB3 H 1.164 2.800 -2.955 1.00 . A A . 6 PHE HB3 1 1 1 79 1 1 6 PHE HD1 H 1.299 4.178 -6.378 1.00 . A A . 6 PHE HD1 1 1 1 80 1 1 6 PHE HD2 H 1.124 0.695 -3.953 1.00 . A A . 6 PHE HD2 1 1 1 81 1 1 6 PHE HE1 H 1.520 2.821 -8.366 1.00 . A A . 6 PHE HE1 1 1 1 82 1 1 6 PHE HE2 H 1.354 -0.712 -5.960 1.00 . A A . 6 PHE HE2 1 1 1 83 1 1 6 PHE HZ H 1.553 0.341 -8.182 1.00 . A A . 6 PHE HZ 1 1 1 84 1 1 6 PHE N N -0.308 5.217 -2.919 1.00 . A A . 6 PHE N 1 1 1 85 1 1 6 PHE O O -1.628 2.939 -2.181 1.00 . A A . 6 PHE O 1 1 1 86 1 1 7 CYS C C -2.850 0.339 -4.744 1.00 . A A . 7 CYS C 1 1 1 87 1 1 7 CYS CA C -3.176 1.663 -4.101 1.00 . A A . 7 CYS CA 1 1 1 88 1 1 7 CYS CB C -4.501 2.158 -4.663 1.00 . A A . 7 CYS CB 1 1 1 89 1 1 7 CYS H H -1.935 2.858 -5.283 1.00 . A A . 7 CYS H 1 1 1 90 1 1 7 CYS HA H -3.277 1.528 -3.037 1.00 . A A . 7 CYS HA 1 1 1 91 1 1 7 CYS HB2 H -4.407 2.235 -5.732 1.00 . A A . 7 CYS HB2 1 1 1 92 1 1 7 CYS HB3 H -5.258 1.418 -4.443 1.00 . A A . 7 CYS HB3 1 1 1 93 1 1 7 CYS N N -2.116 2.611 -4.350 1.00 . A A . 7 CYS N 1 1 1 94 1 1 7 CYS O O -2.216 0.288 -5.811 1.00 . A A . 7 CYS O 1 1 1 95 1 1 7 CYS SG S -5.076 3.756 -4.013 1.00 . A A . 7 CYS SG 1 1 1 96 1 1 8 VAL C C -4.380 -2.800 -4.286 1.00 . A A . 8 VAL C 1 1 1 97 1 1 8 VAL CA C -3.087 -2.069 -4.577 1.00 . A A . 8 VAL CA 1 1 1 98 1 1 8 VAL CB C -1.933 -2.821 -3.824 1.00 . A A . 8 VAL CB 1 1 1 99 1 1 8 VAL CG1 C -1.631 -4.177 -4.453 1.00 . A A . 8 VAL CG1 1 1 1 100 1 1 8 VAL CG2 C -0.668 -1.987 -3.714 1.00 . A A . 8 VAL CG2 1 1 1 101 1 1 8 VAL H H -3.740 -0.581 -3.244 1.00 . A A . 8 VAL H 1 1 1 102 1 1 8 VAL HA H -2.890 -2.054 -5.639 1.00 . A A . 8 VAL HA 1 1 1 103 1 1 8 VAL HB H -2.308 -3.020 -2.833 1.00 . A A . 8 VAL HB 1 1 1 104 1 1 8 VAL HG11 H -0.841 -4.664 -3.899 1.00 . A A . 8 VAL HG11 1 1 1 105 1 1 8 VAL HG12 H -1.313 -4.036 -5.476 1.00 . A A . 8 VAL HG12 1 1 1 106 1 1 8 VAL HG13 H -2.519 -4.791 -4.432 1.00 . A A . 8 VAL HG13 1 1 1 107 1 1 8 VAL HG21 H 0.095 -2.564 -3.213 1.00 . A A . 8 VAL HG21 1 1 1 108 1 1 8 VAL HG22 H -0.874 -1.090 -3.148 1.00 . A A . 8 VAL HG22 1 1 1 109 1 1 8 VAL HG23 H -0.326 -1.719 -4.702 1.00 . A A . 8 VAL HG23 1 1 1 110 1 1 8 VAL N N -3.264 -0.715 -4.095 1.00 . A A . 8 VAL N 1 1 1 111 1 1 8 VAL O O -5.056 -2.493 -3.288 1.00 . A A . 8 VAL O 1 1 1 112 1 1 9 GLU C C -5.478 -5.708 -4.121 1.00 . A A . 9 GLU C 1 1 1 113 1 1 9 GLU CA C -5.924 -4.490 -4.880 1.00 . A A . 9 GLU CA 1 1 1 114 1 1 9 GLU CB C -6.628 -4.836 -6.190 1.00 . A A . 9 GLU CB 1 1 1 115 1 1 9 GLU CD C -8.787 -5.496 -7.302 1.00 . A A . 9 GLU CD 1 1 1 116 1 1 9 GLU CG C -8.033 -5.376 -6.005 1.00 . A A . 9 GLU CG 1 1 1 117 1 1 9 GLU H H -4.167 -3.926 -5.885 1.00 . A A . 9 GLU H 1 1 1 118 1 1 9 GLU HA H -6.580 -3.922 -4.241 1.00 . A A . 9 GLU HA 1 1 1 119 1 1 9 GLU HB2 H -6.685 -3.941 -6.790 1.00 . A A . 9 GLU HB2 1 1 1 120 1 1 9 GLU HB3 H -6.043 -5.575 -6.718 1.00 . A A . 9 GLU HB3 1 1 1 121 1 1 9 GLU HG2 H -7.965 -6.358 -5.562 1.00 . A A . 9 GLU HG2 1 1 1 122 1 1 9 GLU HG3 H -8.577 -4.719 -5.343 1.00 . A A . 9 GLU HG3 1 1 1 123 1 1 9 GLU N N -4.744 -3.722 -5.120 1.00 . A A . 9 GLU N 1 1 1 124 1 1 9 GLU O O -4.849 -6.620 -4.676 1.00 . A A . 9 GLU O 1 1 1 125 1 1 9 GLU OE1 O -9.073 -4.456 -7.932 1.00 . A A . 9 GLU OE1 1 1 1 126 1 1 9 GLU OE2 O -9.157 -6.615 -7.695 1.00 . A A . 9 GLU OE2 1 1 1 127 1 1 10 ASP C C -6.233 -7.741 -1.618 1.00 . A A . 10 ASP C 1 1 1 128 1 1 10 ASP CA C -5.219 -6.705 -1.978 1.00 . A A . 10 ASP CA 1 1 1 129 1 1 10 ASP CB C -4.655 -6.048 -0.728 1.00 . A A . 10 ASP CB 1 1 1 130 1 1 10 ASP CG C -4.068 -7.046 0.232 1.00 . A A . 10 ASP CG 1 1 1 131 1 1 10 ASP H H -6.381 -5.048 -2.482 1.00 . A A . 10 ASP H 1 1 1 132 1 1 10 ASP HA H -4.401 -7.182 -2.494 1.00 . A A . 10 ASP HA 1 1 1 133 1 1 10 ASP HB2 H -3.891 -5.337 -1.002 1.00 . A A . 10 ASP HB2 1 1 1 134 1 1 10 ASP HB3 H -5.468 -5.536 -0.232 1.00 . A A . 10 ASP HB3 1 1 1 135 1 1 10 ASP N N -5.762 -5.713 -2.855 1.00 . A A . 10 ASP N 1 1 1 136 1 1 10 ASP O O -7.296 -7.430 -1.073 1.00 . A A . 10 ASP O 1 1 1 137 1 1 10 ASP OD1 O -4.378 -6.977 1.419 1.00 . A A . 10 ASP OD1 1 1 1 138 1 1 10 ASP OD2 O -3.320 -7.932 -0.189 1.00 . A A . 10 ASP OD2 1 1 1 139 1 1 11 GLU C C -6.797 -10.376 -0.133 1.00 . A A . 11 GLU C 1 1 1 140 1 1 11 GLU CA C -6.775 -10.087 -1.628 1.00 . A A . 11 GLU CA 1 1 1 141 1 1 11 GLU CB C -6.331 -11.330 -2.404 1.00 . A A . 11 GLU CB 1 1 1 142 1 1 11 GLU CD C -7.622 -10.712 -4.468 1.00 . A A . 11 GLU CD 1 1 1 143 1 1 11 GLU CG C -6.294 -11.141 -3.910 1.00 . A A . 11 GLU CG 1 1 1 144 1 1 11 GLU H H -5.043 -9.125 -2.350 1.00 . A A . 11 GLU H 1 1 1 145 1 1 11 GLU HA H -7.772 -9.816 -1.944 1.00 . A A . 11 GLU HA 1 1 1 146 1 1 11 GLU HB2 H -5.340 -11.608 -2.075 1.00 . A A . 11 GLU HB2 1 1 1 147 1 1 11 GLU HB3 H -7.011 -12.138 -2.180 1.00 . A A . 11 GLU HB3 1 1 1 148 1 1 11 GLU HG2 H -5.562 -10.385 -4.150 1.00 . A A . 11 GLU HG2 1 1 1 149 1 1 11 GLU HG3 H -6.008 -12.076 -4.372 1.00 . A A . 11 GLU HG3 1 1 1 150 1 1 11 GLU N N -5.908 -8.966 -1.912 1.00 . A A . 11 GLU N 1 1 1 151 1 1 11 GLU O O -7.786 -10.895 0.394 1.00 . A A . 11 GLU O 1 1 1 152 1 1 11 GLU OE1 O -8.485 -11.574 -4.729 1.00 . A A . 11 GLU OE1 1 1 1 153 1 1 11 GLU OE2 O -7.836 -9.504 -4.665 1.00 . A A . 11 GLU OE2 1 1 1 154 1 1 12 THR C C -6.566 -9.286 2.749 1.00 . A A . 12 THR C 1 1 1 155 1 1 12 THR CA C -5.618 -10.230 1.975 1.00 . A A . 12 THR CA 1 1 1 156 1 1 12 THR CB C -4.159 -10.050 2.415 1.00 . A A . 12 THR CB 1 1 1 157 1 1 12 THR CG2 C -3.968 -10.455 3.871 1.00 . A A . 12 THR CG2 1 1 1 158 1 1 12 THR H H -4.962 -9.577 0.102 1.00 . A A . 12 THR H 1 1 1 159 1 1 12 THR HA H -5.918 -11.250 2.170 1.00 . A A . 12 THR HA 1 1 1 160 1 1 12 THR HB H -3.880 -9.016 2.279 1.00 . A A . 12 THR HB 1 1 1 161 1 1 12 THR HG1 H -3.879 -11.604 1.240 1.00 . A A . 12 THR HG1 1 1 1 162 1 1 12 THR HG21 H -4.240 -11.493 3.996 1.00 . A A . 12 THR HG21 1 1 1 163 1 1 12 THR HG22 H -4.597 -9.842 4.499 1.00 . A A . 12 THR HG22 1 1 1 164 1 1 12 THR HG23 H -2.934 -10.317 4.151 1.00 . A A . 12 THR HG23 1 1 1 165 1 1 12 THR N N -5.725 -10.008 0.553 1.00 . A A . 12 THR N 1 1 1 166 1 1 12 THR O O -7.252 -9.704 3.679 1.00 . A A . 12 THR O 1 1 1 167 1 1 12 THR OG1 O -3.331 -10.882 1.573 1.00 . A A . 12 THR OG1 1 1 1 168 1 1 13 SER C C -8.943 -7.306 2.349 1.00 . A A . 13 SER C 1 1 1 169 1 1 13 SER CA C -7.547 -7.086 2.928 1.00 . A A . 13 SER CA 1 1 1 170 1 1 13 SER CB C -7.082 -5.665 2.654 1.00 . A A . 13 SER CB 1 1 1 171 1 1 13 SER H H -5.981 -7.727 1.657 1.00 . A A . 13 SER H 1 1 1 172 1 1 13 SER HA H -7.568 -7.255 3.991 1.00 . A A . 13 SER HA 1 1 1 173 1 1 13 SER HB2 H -7.157 -5.495 1.594 1.00 . A A . 13 SER HB2 1 1 1 174 1 1 13 SER HB3 H -7.712 -4.967 3.185 1.00 . A A . 13 SER HB3 1 1 1 175 1 1 13 SER HG H -5.186 -6.045 2.482 1.00 . A A . 13 SER HG 1 1 1 176 1 1 13 SER N N -6.627 -8.034 2.335 1.00 . A A . 13 SER N 1 1 1 177 1 1 13 SER O O -9.949 -6.974 2.966 1.00 . A A . 13 SER O 1 1 1 178 1 1 13 SER OG O -5.731 -5.488 3.066 1.00 . A A . 13 SER OG 1 1 1 179 1 1 14 GLY C C -10.712 -7.157 -0.415 1.00 . A A . 14 GLY C 1 1 1 180 1 1 14 GLY CA C -10.232 -8.211 0.536 1.00 . A A . 14 GLY CA 1 1 1 181 1 1 14 GLY H H -8.144 -8.054 0.681 1.00 . A A . 14 GLY H 1 1 1 182 1 1 14 GLY HA2 H -10.095 -9.126 -0.017 1.00 . A A . 14 GLY HA2 1 1 1 183 1 1 14 GLY HA3 H -10.975 -8.362 1.305 1.00 . A A . 14 GLY HA3 1 1 1 184 1 1 14 GLY N N -8.981 -7.872 1.158 1.00 . A A . 14 GLY N 1 1 1 185 1 1 14 GLY O O -11.783 -7.295 -1.009 1.00 . A A . 14 GLY O 1 1 1 186 1 1 15 ALA C C -9.070 -4.173 -1.754 1.00 . A A . 15 ALA C 1 1 1 187 1 1 15 ALA CA C -10.281 -5.017 -1.443 1.00 . A A . 15 ALA CA 1 1 1 188 1 1 15 ALA CB C -11.341 -4.163 -0.754 1.00 . A A . 15 ALA CB 1 1 1 189 1 1 15 ALA H H -9.004 -6.123 -0.217 1.00 . A A . 15 ALA H 1 1 1 190 1 1 15 ALA HA H -10.699 -5.410 -2.357 1.00 . A A . 15 ALA HA 1 1 1 191 1 1 15 ALA HB1 H -11.624 -3.349 -1.403 1.00 . A A . 15 ALA HB1 1 1 1 192 1 1 15 ALA HB2 H -10.938 -3.767 0.166 1.00 . A A . 15 ALA HB2 1 1 1 193 1 1 15 ALA HB3 H -12.208 -4.771 -0.537 1.00 . A A . 15 ALA HB3 1 1 1 194 1 1 15 ALA N N -9.905 -6.131 -0.606 1.00 . A A . 15 ALA N 1 1 1 195 1 1 15 ALA O O -7.952 -4.474 -1.301 1.00 . A A . 15 ALA O 1 1 1 196 1 1 16 LYS C C -7.955 -1.371 -1.633 1.00 . A A . 16 LYS C 1 1 1 197 1 1 16 LYS CA C -8.261 -2.193 -2.861 1.00 . A A . 16 LYS CA 1 1 1 198 1 1 16 LYS CB C -8.717 -1.279 -4.003 1.00 . A A . 16 LYS CB 1 1 1 199 1 1 16 LYS CD C -8.230 0.718 -5.494 1.00 . A A . 16 LYS CD 1 1 1 200 1 1 16 LYS CE C -9.293 1.627 -4.874 1.00 . A A . 16 LYS CE 1 1 1 201 1 1 16 LYS CG C -7.663 -0.271 -4.470 1.00 . A A . 16 LYS CG 1 1 1 202 1 1 16 LYS H H -10.173 -3.044 -2.938 1.00 . A A . 16 LYS H 1 1 1 203 1 1 16 LYS HA H -7.358 -2.701 -3.149 1.00 . A A . 16 LYS HA 1 1 1 204 1 1 16 LYS HB2 H -8.997 -1.893 -4.846 1.00 . A A . 16 LYS HB2 1 1 1 205 1 1 16 LYS HB3 H -9.584 -0.736 -3.662 1.00 . A A . 16 LYS HB3 1 1 1 206 1 1 16 LYS HD2 H -7.426 1.331 -5.874 1.00 . A A . 16 LYS HD2 1 1 1 207 1 1 16 LYS HD3 H -8.672 0.162 -6.307 1.00 . A A . 16 LYS HD3 1 1 1 208 1 1 16 LYS HE2 H -10.067 1.026 -4.423 1.00 . A A . 16 LYS HE2 1 1 1 209 1 1 16 LYS HE3 H -8.825 2.231 -4.110 1.00 . A A . 16 LYS HE3 1 1 1 210 1 1 16 LYS HG2 H -7.299 0.272 -3.610 1.00 . A A . 16 LYS HG2 1 1 1 211 1 1 16 LYS HG3 H -6.843 -0.813 -4.918 1.00 . A A . 16 LYS HG3 1 1 1 212 1 1 16 LYS HZ1 H -10.342 1.973 -6.643 1.00 . A A . 16 LYS HZ1 1 1 1 213 1 1 16 LYS HZ2 H -9.255 3.211 -6.278 1.00 . A A . 16 LYS HZ2 1 1 1 214 1 1 16 LYS HZ3 H -10.686 3.060 -5.414 1.00 . A A . 16 LYS HZ3 1 1 1 215 1 1 16 LYS N N -9.281 -3.150 -2.542 1.00 . A A . 16 LYS N 1 1 1 216 1 1 16 LYS NZ N -9.921 2.519 -5.865 1.00 . A A . 16 LYS NZ 1 1 1 217 1 1 16 LYS O O -8.840 -0.746 -1.051 1.00 . A A . 16 LYS O 1 1 1 218 1 1 17 THR C C -5.230 0.303 -0.597 1.00 . A A . 17 THR C 1 1 1 219 1 1 17 THR CA C -6.331 -0.622 -0.127 1.00 . A A . 17 THR CA 1 1 1 220 1 1 17 THR CB C -5.891 -1.513 1.079 1.00 . A A . 17 THR CB 1 1 1 221 1 1 17 THR CG2 C -4.671 -2.366 0.739 1.00 . A A . 17 THR CG2 1 1 1 222 1 1 17 THR H H -6.072 -1.911 -1.725 1.00 . A A . 17 THR H 1 1 1 223 1 1 17 THR HA H -7.173 -0.013 0.166 1.00 . A A . 17 THR HA 1 1 1 224 1 1 17 THR HB H -6.720 -2.161 1.327 1.00 . A A . 17 THR HB 1 1 1 225 1 1 17 THR HG1 H -6.216 0.069 2.201 1.00 . A A . 17 THR HG1 1 1 1 226 1 1 17 THR HG21 H -3.851 -1.721 0.463 1.00 . A A . 17 THR HG21 1 1 1 227 1 1 17 THR HG22 H -4.908 -3.019 -0.088 1.00 . A A . 17 THR HG22 1 1 1 228 1 1 17 THR HG23 H -4.394 -2.957 1.598 1.00 . A A . 17 THR HG23 1 1 1 229 1 1 17 THR N N -6.744 -1.387 -1.235 1.00 . A A . 17 THR N 1 1 1 230 1 1 17 THR O O -4.538 0.007 -1.596 1.00 . A A . 17 THR O 1 1 1 231 1 1 17 THR OG1 O -5.607 -0.694 2.231 1.00 . A A . 17 THR OG1 1 1 1 232 1 1 18 CYS C C -3.342 2.837 0.827 1.00 . A A . 18 CYS C 1 1 1 233 1 1 18 CYS CA C -4.133 2.382 -0.374 1.00 . A A . 18 CYS CA 1 1 1 234 1 1 18 CYS CB C -4.824 3.597 -1.009 1.00 . A A . 18 CYS CB 1 1 1 235 1 1 18 CYS H H -5.665 1.588 0.828 1.00 . A A . 18 CYS H 1 1 1 236 1 1 18 CYS HA H -3.470 1.939 -1.099 1.00 . A A . 18 CYS HA 1 1 1 237 1 1 18 CYS HB2 H -5.340 4.156 -0.242 1.00 . A A . 18 CYS HB2 1 1 1 238 1 1 18 CYS HB3 H -4.065 4.233 -1.440 1.00 . A A . 18 CYS HB3 1 1 1 239 1 1 18 CYS N N -5.105 1.418 0.035 1.00 . A A . 18 CYS N 1 1 1 240 1 1 18 CYS O O -3.662 2.476 1.967 1.00 . A A . 18 CYS O 1 1 1 241 1 1 18 CYS SG S -6.047 3.237 -2.314 1.00 . A A . 18 CYS SG 1 1 1 242 1 1 19 VAL C C -1.268 5.676 1.175 1.00 . A A . 19 VAL C 1 1 1 243 1 1 19 VAL CA C -1.539 4.234 1.627 1.00 . A A . 19 VAL CA 1 1 1 244 1 1 19 VAL CB C -0.172 3.517 1.890 1.00 . A A . 19 VAL CB 1 1 1 245 1 1 19 VAL CG1 C 0.583 4.190 3.020 1.00 . A A . 19 VAL CG1 1 1 1 246 1 1 19 VAL CG2 C -0.362 2.040 2.204 1.00 . A A . 19 VAL CG2 1 1 1 247 1 1 19 VAL H H -2.028 3.722 -0.350 1.00 . A A . 19 VAL H 1 1 1 248 1 1 19 VAL HA H -2.132 4.244 2.529 1.00 . A A . 19 VAL HA 1 1 1 249 1 1 19 VAL HB H 0.425 3.603 0.993 1.00 . A A . 19 VAL HB 1 1 1 250 1 1 19 VAL HG11 H 1.519 3.675 3.178 1.00 . A A . 19 VAL HG11 1 1 1 251 1 1 19 VAL HG12 H -0.008 4.144 3.922 1.00 . A A . 19 VAL HG12 1 1 1 252 1 1 19 VAL HG13 H 0.776 5.222 2.765 1.00 . A A . 19 VAL HG13 1 1 1 253 1 1 19 VAL HG21 H 0.598 1.583 2.391 1.00 . A A . 19 VAL HG21 1 1 1 254 1 1 19 VAL HG22 H -0.839 1.553 1.366 1.00 . A A . 19 VAL HG22 1 1 1 255 1 1 19 VAL HG23 H -0.986 1.938 3.079 1.00 . A A . 19 VAL HG23 1 1 1 256 1 1 19 VAL N N -2.308 3.594 0.584 1.00 . A A . 19 VAL N 1 1 1 257 1 1 19 VAL O O -0.445 5.879 0.262 1.00 . A A . 19 VAL O 1 1 1 258 1 1 20 PRO C C -4.318 5.807 2.113 1.00 . A A . 20 PRO C 1 1 1 259 1 1 20 PRO CA C -3.118 6.536 2.700 1.00 . A A . 20 PRO CA 1 1 1 260 1 1 20 PRO CB C -3.519 7.968 3.022 1.00 . A A . 20 PRO CB 1 1 1 261 1 1 20 PRO CD C -1.792 8.123 1.407 1.00 . A A . 20 PRO CD 1 1 1 262 1 1 20 PRO CG C -3.084 8.741 1.832 1.00 . A A . 20 PRO CG 1 1 1 263 1 1 20 PRO HA H -2.790 6.036 3.598 1.00 . A A . 20 PRO HA 1 1 1 264 1 1 20 PRO HB2 H -4.590 8.007 3.161 1.00 . A A . 20 PRO HB2 1 1 1 265 1 1 20 PRO HB3 H -3.022 8.279 3.925 1.00 . A A . 20 PRO HB3 1 1 1 266 1 1 20 PRO HD2 H -1.625 8.273 0.351 1.00 . A A . 20 PRO HD2 1 1 1 267 1 1 20 PRO HD3 H -0.970 8.519 1.985 1.00 . A A . 20 PRO HD3 1 1 1 268 1 1 20 PRO HG2 H -3.823 8.634 1.052 1.00 . A A . 20 PRO HG2 1 1 1 269 1 1 20 PRO HG3 H -2.960 9.784 2.067 1.00 . A A . 20 PRO HG3 1 1 1 270 1 1 20 PRO N N -2.005 6.703 1.712 1.00 . A A . 20 PRO N 1 1 1 271 1 1 20 PRO O O -4.599 5.898 0.909 1.00 . A A . 20 PRO O 1 1 1 272 1 1 21 ASP C C -7.268 4.995 1.902 1.00 . A A . 21 ASP C 1 1 1 273 1 1 21 ASP CA C -6.104 4.254 2.510 1.00 . A A . 21 ASP CA 1 1 1 274 1 1 21 ASP CB C -6.561 3.298 3.599 1.00 . A A . 21 ASP CB 1 1 1 275 1 1 21 ASP CG C -7.485 2.240 3.048 1.00 . A A . 21 ASP CG 1 1 1 276 1 1 21 ASP H H -4.895 5.302 3.919 1.00 . A A . 21 ASP H 1 1 1 277 1 1 21 ASP HA H -5.662 3.667 1.718 1.00 . A A . 21 ASP HA 1 1 1 278 1 1 21 ASP HB2 H -5.700 2.814 4.037 1.00 . A A . 21 ASP HB2 1 1 1 279 1 1 21 ASP HB3 H -7.087 3.855 4.360 1.00 . A A . 21 ASP HB3 1 1 1 280 1 1 21 ASP N N -5.050 5.145 2.961 1.00 . A A . 21 ASP N 1 1 1 281 1 1 21 ASP O O -7.727 6.013 2.443 1.00 . A A . 21 ASP O 1 1 1 282 1 1 21 ASP OD1 O -7.070 1.505 2.122 1.00 . A A . 21 ASP OD1 1 1 1 283 1 1 21 ASP OD2 O -8.630 2.102 3.542 1.00 . A A . 21 ASP OD2 1 1 1 284 1 1 22 ASN C C -8.542 6.502 -0.435 1.00 . A A . 22 ASN C 1 1 1 285 1 1 22 ASN CA C -8.785 5.062 -0.032 1.00 . A A . 22 ASN CA 1 1 1 286 1 1 22 ASN CB C -10.148 4.859 0.608 1.00 . A A . 22 ASN CB 1 1 1 287 1 1 22 ASN CG C -10.683 3.451 0.409 1.00 . A A . 22 ASN CG 1 1 1 288 1 1 22 ASN H H -7.336 3.650 0.425 1.00 . A A . 22 ASN H 1 1 1 289 1 1 22 ASN HA H -8.775 4.499 -0.954 1.00 . A A . 22 ASN HA 1 1 1 290 1 1 22 ASN HB2 H -10.092 5.077 1.665 1.00 . A A . 22 ASN HB2 1 1 1 291 1 1 22 ASN HB3 H -10.817 5.552 0.128 1.00 . A A . 22 ASN HB3 1 1 1 292 1 1 22 ASN HD21 H -11.666 3.528 2.125 1.00 . A A . 22 ASN HD21 1 1 1 293 1 1 22 ASN HD22 H -11.831 2.069 1.241 1.00 . A A . 22 ASN HD22 1 1 1 294 1 1 22 ASN N N -7.716 4.489 0.754 1.00 . A A . 22 ASN N 1 1 1 295 1 1 22 ASN ND2 N -11.462 2.972 1.342 1.00 . A A . 22 ASN ND2 1 1 1 296 1 1 22 ASN O O -9.487 7.280 -0.603 1.00 . A A . 22 ASN O 1 1 1 297 1 1 22 ASN OD1 O -10.389 2.797 -0.601 1.00 . A A . 22 ASN OD1 1 1 1 298 1 1 23 CYS C C -7.474 8.274 -2.591 1.00 . A A . 23 CYS C 1 1 1 299 1 1 23 CYS CA C -6.873 8.141 -1.190 1.00 . A A . 23 CYS CA 1 1 1 300 1 1 23 CYS CB C -5.357 8.192 -1.283 1.00 . A A . 23 CYS CB 1 1 1 301 1 1 23 CYS H H -6.530 6.254 -0.355 1.00 . A A . 23 CYS H 1 1 1 302 1 1 23 CYS HA H -7.236 8.933 -0.559 1.00 . A A . 23 CYS HA 1 1 1 303 1 1 23 CYS HB2 H -4.944 9.169 -1.476 1.00 . A A . 23 CYS HB2 1 1 1 304 1 1 23 CYS HB3 H -4.979 7.852 -0.330 1.00 . A A . 23 CYS HB3 1 1 1 305 1 1 23 CYS N N -7.263 6.846 -0.636 1.00 . A A . 23 CYS N 1 1 1 306 1 1 23 CYS O O -7.756 9.364 -3.080 1.00 . A A . 23 CYS O 1 1 1 307 1 1 23 CYS SG S -4.687 7.039 -2.510 1.00 . A A . 23 CYS SG 1 1 1 308 1 1 24 ASP C C -9.731 6.689 -4.290 1.00 . A A . 24 ASP C 1 1 1 309 1 1 24 ASP CA C -8.277 7.013 -4.499 1.00 . A A . 24 ASP CA 1 1 1 310 1 1 24 ASP CB C -7.570 5.935 -5.335 1.00 . A A . 24 ASP CB 1 1 1 311 1 1 24 ASP CG C -8.191 5.710 -6.693 1.00 . A A . 24 ASP CG 1 1 1 312 1 1 24 ASP H H -7.413 6.333 -2.710 1.00 . A A . 24 ASP H 1 1 1 313 1 1 24 ASP HA H -8.199 7.970 -4.993 1.00 . A A . 24 ASP HA 1 1 1 314 1 1 24 ASP HB2 H -6.541 6.226 -5.484 1.00 . A A . 24 ASP HB2 1 1 1 315 1 1 24 ASP HB3 H -7.592 5.004 -4.789 1.00 . A A . 24 ASP HB3 1 1 1 316 1 1 24 ASP N N -7.674 7.133 -3.205 1.00 . A A . 24 ASP N 1 1 1 317 1 1 24 ASP O O -10.151 5.526 -4.313 1.00 . A A . 24 ASP O 1 1 1 318 1 1 24 ASP OD1 O -8.174 6.634 -7.531 1.00 . A A . 24 ASP OD1 1 1 1 319 1 1 24 ASP OD2 O -8.652 4.581 -6.976 1.00 . A A . 24 ASP OD2 1 1 1 320 1 1 25 ALA C C -12.204 9.167 -3.251 1.00 . A A . 25 ALA C 1 1 1 321 1 1 25 ALA CA C -11.870 7.762 -3.644 1.00 . A A . 25 ALA CA 1 1 1 322 1 1 25 ALA CB C -12.228 6.809 -2.502 1.00 . A A . 25 ALA CB 1 1 1 323 1 1 25 ALA H H -9.944 8.584 -3.919 1.00 . A A . 25 ALA H 1 1 1 324 1 1 25 ALA HA H -12.421 7.511 -4.531 1.00 . A A . 25 ALA HA 1 1 1 325 1 1 25 ALA HB1 H -13.281 6.895 -2.276 1.00 . A A . 25 ALA HB1 1 1 1 326 1 1 25 ALA HB2 H -11.648 7.064 -1.628 1.00 . A A . 25 ALA HB2 1 1 1 327 1 1 25 ALA HB3 H -12.004 5.795 -2.797 1.00 . A A . 25 ALA HB3 1 1 1 328 1 1 25 ALA N N -10.441 7.739 -3.955 1.00 . A A . 25 ALA N 1 1 1 329 1 1 25 ALA O O -13.259 9.707 -3.573 1.00 . A A . 25 ALA O 1 1 1 330 1 1 26 SER C C -10.358 11.917 -3.015 1.00 . A A . 26 SER C 1 1 1 331 1 1 26 SER CA C -11.318 11.100 -2.140 1.00 . A A . 26 SER CA 1 1 1 332 1 1 26 SER CB C -10.897 11.141 -0.681 1.00 . A A . 26 SER CB 1 1 1 333 1 1 26 SER H H -10.498 9.200 -2.317 1.00 . A A . 26 SER H 1 1 1 334 1 1 26 SER HA H -12.327 11.474 -2.237 1.00 . A A . 26 SER HA 1 1 1 335 1 1 26 SER HB2 H -10.791 12.168 -0.371 1.00 . A A . 26 SER HB2 1 1 1 336 1 1 26 SER HB3 H -11.644 10.657 -0.071 1.00 . A A . 26 SER HB3 1 1 1 337 1 1 26 SER HG H -9.516 10.420 0.457 1.00 . A A . 26 SER HG 1 1 1 338 1 1 26 SER N N -11.274 9.740 -2.568 1.00 . A A . 26 SER N 1 1 1 339 1 1 26 SER O O -9.844 11.398 -4.016 1.00 . A A . 26 SER O 1 1 1 340 1 1 26 SER OG O -9.655 10.476 -0.497 1.00 . A A . 26 SER OG 1 1 1 341 1 1 27 ARG C C -7.829 14.077 -2.740 1.00 . A A . 27 ARG C 1 1 1 342 1 1 27 ARG CA C -9.177 13.971 -3.444 1.00 . A A . 27 ARG CA 1 1 1 343 1 1 27 ARG CB C -9.745 15.358 -3.752 1.00 . A A . 27 ARG CB 1 1 1 344 1 1 27 ARG CD C -10.498 17.593 -3.019 1.00 . A A . 27 ARG CD 1 1 1 345 1 1 27 ARG CG C -9.931 16.277 -2.558 1.00 . A A . 27 ARG CG 1 1 1 346 1 1 27 ARG CZ C -10.628 19.931 -2.238 1.00 . A A . 27 ARG CZ 1 1 1 347 1 1 27 ARG H H -10.534 13.556 -1.874 1.00 . A A . 27 ARG H 1 1 1 348 1 1 27 ARG HA H -9.024 13.440 -4.372 1.00 . A A . 27 ARG HA 1 1 1 349 1 1 27 ARG HB2 H -9.071 15.851 -4.437 1.00 . A A . 27 ARG HB2 1 1 1 350 1 1 27 ARG HB3 H -10.698 15.239 -4.245 1.00 . A A . 27 ARG HB3 1 1 1 351 1 1 27 ARG HD2 H -9.908 17.951 -3.849 1.00 . A A . 27 ARG HD2 1 1 1 352 1 1 27 ARG HD3 H -11.510 17.424 -3.353 1.00 . A A . 27 ARG HD3 1 1 1 353 1 1 27 ARG HE H -10.409 18.286 -1.058 1.00 . A A . 27 ARG HE 1 1 1 354 1 1 27 ARG HG2 H -10.616 15.819 -1.859 1.00 . A A . 27 ARG HG2 1 1 1 355 1 1 27 ARG HG3 H -8.976 16.447 -2.084 1.00 . A A . 27 ARG HG3 1 1 1 356 1 1 27 ARG HH11 H -10.858 19.718 -4.274 1.00 . A A . 27 ARG HH11 1 1 1 357 1 1 27 ARG HH12 H -10.888 21.322 -3.728 1.00 . A A . 27 ARG HH12 1 1 1 358 1 1 27 ARG HH21 H -10.426 20.538 -0.298 1.00 . A A . 27 ARG HH21 1 1 1 359 1 1 27 ARG HH22 H -10.653 21.801 -1.406 1.00 . A A . 27 ARG HH22 1 1 1 360 1 1 27 ARG N N -10.101 13.164 -2.663 1.00 . A A . 27 ARG N 1 1 1 361 1 1 27 ARG NE N -10.510 18.620 -1.980 1.00 . A A . 27 ARG NE 1 1 1 362 1 1 27 ARG NH1 N -10.805 20.349 -3.494 1.00 . A A . 27 ARG NH1 1 1 1 363 1 1 27 ARG NH2 N -10.566 20.813 -1.252 1.00 . A A . 27 ARG NH2 1 1 1 364 1 1 27 ARG O O -6.978 14.892 -3.098 1.00 . A A . 27 ARG O 1 1 1 365 1 1 28 GLY C C -5.447 12.183 -1.619 1.00 . A A . 28 GLY C 1 1 1 366 1 1 28 GLY CA C -6.375 13.227 -1.057 1.00 . A A . 28 GLY CA 1 1 1 367 1 1 28 GLY H H -8.320 12.582 -1.532 1.00 . A A . 28 GLY H 1 1 1 368 1 1 28 GLY HA2 H -5.915 14.200 -1.145 1.00 . A A . 28 GLY HA2 1 1 1 369 1 1 28 GLY HA3 H -6.558 13.009 -0.015 1.00 . A A . 28 GLY HA3 1 1 1 370 1 1 28 GLY N N -7.623 13.230 -1.768 1.00 . A A . 28 GLY N 1 1 1 371 1 1 28 GLY O O -4.846 11.407 -0.873 1.00 . A A . 28 GLY O 1 1 1 372 1 1 29 THR C C -3.086 11.692 -3.679 1.00 . A A . 29 THR C 1 1 1 373 1 1 29 THR CA C -4.534 11.170 -3.594 1.00 . A A . 29 THR CA 1 1 1 374 1 1 29 THR CB C -5.091 10.889 -5.007 1.00 . A A . 29 THR CB 1 1 1 375 1 1 29 THR CG2 C -4.622 9.527 -5.494 1.00 . A A . 29 THR CG2 1 1 1 376 1 1 29 THR H H -5.854 12.785 -3.475 1.00 . A A . 29 THR H 1 1 1 377 1 1 29 THR HA H -4.545 10.255 -3.024 1.00 . A A . 29 THR HA 1 1 1 378 1 1 29 THR HB H -4.751 11.654 -5.690 1.00 . A A . 29 THR HB 1 1 1 379 1 1 29 THR HG1 H -6.834 10.327 -4.207 1.00 . A A . 29 THR HG1 1 1 1 380 1 1 29 THR HG21 H -4.984 9.357 -6.498 1.00 . A A . 29 THR HG21 1 1 1 381 1 1 29 THR HG22 H -5.015 8.762 -4.840 1.00 . A A . 29 THR HG22 1 1 1 382 1 1 29 THR HG23 H -3.544 9.487 -5.484 1.00 . A A . 29 THR HG23 1 1 1 383 1 1 29 THR N N -5.354 12.138 -2.931 1.00 . A A . 29 THR N 1 1 1 384 1 1 29 THR O O -2.153 11.071 -3.145 1.00 . A A . 29 THR O 1 1 1 385 1 1 29 THR OG1 O -6.539 10.876 -4.949 1.00 . A A . 29 THR OG1 1 1 1 386 1 1 30 ASN C C -1.449 14.620 -3.475 1.00 . A A . 30 ASN C 1 1 1 387 1 1 30 ASN CA C -1.597 13.452 -4.439 1.00 . A A . 30 ASN CA 1 1 1 388 1 1 30 ASN CB C -1.326 13.932 -5.896 1.00 . A A . 30 ASN CB 1 1 1 389 1 1 30 ASN CG C -2.255 15.042 -6.373 1.00 . A A . 30 ASN CG 1 1 1 390 1 1 30 ASN H H -3.696 13.338 -4.630 1.00 . A A . 30 ASN H 1 1 1 391 1 1 30 ASN HA H -0.890 12.677 -4.186 1.00 . A A . 30 ASN HA 1 1 1 392 1 1 30 ASN HB2 H -0.315 14.306 -5.953 1.00 . A A . 30 ASN HB2 1 1 1 393 1 1 30 ASN HB3 H -1.420 13.093 -6.569 1.00 . A A . 30 ASN HB3 1 1 1 394 1 1 30 ASN HD21 H -0.973 16.451 -5.839 1.00 . A A . 30 ASN HD21 1 1 1 395 1 1 30 ASN HD22 H -2.449 16.990 -6.538 1.00 . A A . 30 ASN HD22 1 1 1 396 1 1 30 ASN N N -2.916 12.851 -4.290 1.00 . A A . 30 ASN N 1 1 1 397 1 1 30 ASN ND2 N -1.852 16.271 -6.237 1.00 . A A . 30 ASN ND2 1 1 1 398 1 1 30 ASN O O -2.446 15.293 -3.163 1.00 . A A . 30 ASN O 1 1 1 399 1 1 30 ASN OD1 O -3.329 14.777 -6.901 1.00 . A A . 30 ASN OD1 1 1 1 400 1 1 31 PRO C C 0.180 17.263 -2.873 1.00 . A A . 31 PRO C 1 1 1 401 1 1 31 PRO CA C 0.040 15.979 -2.071 1.00 . A A . 31 PRO CA 1 1 1 402 1 1 31 PRO CB C 1.385 15.620 -1.407 1.00 . A A . 31 PRO CB 1 1 1 403 1 1 31 PRO CD C 0.974 14.051 -3.162 1.00 . A A . 31 PRO CD 1 1 1 404 1 1 31 PRO CG C 1.708 14.240 -1.876 1.00 . A A . 31 PRO CG 1 1 1 405 1 1 31 PRO HA H -0.729 16.096 -1.321 1.00 . A A . 31 PRO HA 1 1 1 406 1 1 31 PRO HB2 H 2.136 16.328 -1.723 1.00 . A A . 31 PRO HB2 1 1 1 407 1 1 31 PRO HB3 H 1.283 15.660 -0.333 1.00 . A A . 31 PRO HB3 1 1 1 408 1 1 31 PRO HD2 H 1.561 14.424 -3.987 1.00 . A A . 31 PRO HD2 1 1 1 409 1 1 31 PRO HD3 H 0.740 13.007 -3.292 1.00 . A A . 31 PRO HD3 1 1 1 410 1 1 31 PRO HG2 H 2.771 14.137 -2.032 1.00 . A A . 31 PRO HG2 1 1 1 411 1 1 31 PRO HG3 H 1.371 13.519 -1.145 1.00 . A A . 31 PRO HG3 1 1 1 412 1 1 31 PRO N N -0.233 14.856 -2.953 1.00 . A A . 31 PRO N 1 1 1 413 1 1 31 PRO O O 1.238 17.467 -3.504 1.00 . A A . 31 PRO O 1 1 1 414 1 1 31 PRO OXT O -0.754 18.080 -2.877 1.00 . A A . 31 PRO OXT 1 1 2 415 1 1 1 ASP C C 0.882 12.731 4.496 1.00 . A A . 1 ASP C 1 1 2 416 1 1 1 ASP CA C -0.003 12.753 5.703 1.00 . A A . 1 ASP CA 1 1 2 417 1 1 1 ASP CB C -0.275 11.322 6.168 1.00 . A A . 1 ASP CB 1 1 2 418 1 1 1 ASP CG C -1.025 11.262 7.469 1.00 . A A . 1 ASP CG 1 1 2 419 1 1 1 ASP H1 H -1.895 13.509 6.183 1.00 . A A . 1 ASP H1 1 1 2 420 1 1 1 ASP H2 H -1.739 12.989 4.582 1.00 . A A . 1 ASP H2 1 1 2 421 1 1 1 ASP H3 H -1.037 14.417 5.058 1.00 . A A . 1 ASP H3 1 1 2 422 1 1 1 ASP HA H 0.496 13.299 6.490 1.00 . A A . 1 ASP HA 1 1 2 423 1 1 1 ASP HB2 H -0.860 10.811 5.417 1.00 . A A . 1 ASP HB2 1 1 2 424 1 1 1 ASP HB3 H 0.668 10.809 6.290 1.00 . A A . 1 ASP HB3 1 1 2 425 1 1 1 ASP N N -1.247 13.448 5.374 1.00 . A A . 1 ASP N 1 1 2 426 1 1 1 ASP O O 0.393 12.587 3.371 1.00 . A A . 1 ASP O 1 1 2 427 1 1 1 ASP OD1 O -0.390 11.094 8.529 1.00 . A A . 1 ASP OD1 1 1 2 428 1 1 1 ASP OD2 O -2.266 11.385 7.466 1.00 . A A . 1 ASP OD2 1 1 2 429 1 1 2 VAL C C 3.456 11.498 3.155 1.00 . A A . 2 VAL C 1 1 2 430 1 1 2 VAL CA C 3.127 12.910 3.617 1.00 . A A . 2 VAL CA 1 1 2 431 1 1 2 VAL CB C 4.431 13.671 4.002 1.00 . A A . 2 VAL CB 1 1 2 432 1 1 2 VAL CG1 C 5.390 13.761 2.816 1.00 . A A . 2 VAL CG1 1 1 2 433 1 1 2 VAL CG2 C 4.104 15.065 4.528 1.00 . A A . 2 VAL CG2 1 1 2 434 1 1 2 VAL H H 2.529 12.889 5.623 1.00 . A A . 2 VAL H 1 1 2 435 1 1 2 VAL HA H 2.648 13.430 2.800 1.00 . A A . 2 VAL HA 1 1 2 436 1 1 2 VAL HB H 4.923 13.117 4.789 1.00 . A A . 2 VAL HB 1 1 2 437 1 1 2 VAL HG11 H 6.280 14.296 3.110 1.00 . A A . 2 VAL HG11 1 1 2 438 1 1 2 VAL HG12 H 4.907 14.283 2.002 1.00 . A A . 2 VAL HG12 1 1 2 439 1 1 2 VAL HG13 H 5.657 12.765 2.495 1.00 . A A . 2 VAL HG13 1 1 2 440 1 1 2 VAL HG21 H 3.590 15.628 3.764 1.00 . A A . 2 VAL HG21 1 1 2 441 1 1 2 VAL HG22 H 5.018 15.574 4.798 1.00 . A A . 2 VAL HG22 1 1 2 442 1 1 2 VAL HG23 H 3.469 14.979 5.397 1.00 . A A . 2 VAL HG23 1 1 2 443 1 1 2 VAL N N 2.177 12.861 4.707 1.00 . A A . 2 VAL N 1 1 2 444 1 1 2 VAL O O 4.312 10.813 3.733 1.00 . A A . 2 VAL O 1 1 2 445 1 1 3 SER C C 2.338 9.742 0.191 1.00 . A A . 3 SER C 1 1 2 446 1 1 3 SER CA C 2.878 9.727 1.614 1.00 . A A . 3 SER CA 1 1 2 447 1 1 3 SER CB C 2.118 8.681 2.439 1.00 . A A . 3 SER CB 1 1 2 448 1 1 3 SER H H 1.981 11.600 1.850 1.00 . A A . 3 SER H 1 1 2 449 1 1 3 SER HA H 3.931 9.486 1.617 1.00 . A A . 3 SER HA 1 1 2 450 1 1 3 SER HB2 H 1.065 8.920 2.439 1.00 . A A . 3 SER HB2 1 1 2 451 1 1 3 SER HB3 H 2.266 7.704 2.004 1.00 . A A . 3 SER HB3 1 1 2 452 1 1 3 SER HG H 3.207 9.396 3.866 1.00 . A A . 3 SER HG 1 1 2 453 1 1 3 SER N N 2.706 11.035 2.195 1.00 . A A . 3 SER N 1 1 2 454 1 1 3 SER O O 1.217 10.221 -0.029 1.00 . A A . 3 SER O 1 1 2 455 1 1 3 SER OG O 2.581 8.662 3.782 1.00 . A A . 3 SER OG 1 1 2 456 1 1 4 PRO C C 1.499 8.232 -2.297 1.00 . A A . 4 PRO C 1 1 2 457 1 1 4 PRO CA C 2.680 9.185 -2.188 1.00 . A A . 4 PRO CA 1 1 2 458 1 1 4 PRO CB C 3.894 8.605 -2.929 1.00 . A A . 4 PRO CB 1 1 2 459 1 1 4 PRO CD C 4.530 8.846 -0.645 1.00 . A A . 4 PRO CD 1 1 2 460 1 1 4 PRO CG C 5.055 8.900 -2.048 1.00 . A A . 4 PRO CG 1 1 2 461 1 1 4 PRO HA H 2.410 10.147 -2.595 1.00 . A A . 4 PRO HA 1 1 2 462 1 1 4 PRO HB2 H 3.757 7.542 -3.062 1.00 . A A . 4 PRO HB2 1 1 2 463 1 1 4 PRO HB3 H 3.997 9.082 -3.893 1.00 . A A . 4 PRO HB3 1 1 2 464 1 1 4 PRO HD2 H 4.585 7.839 -0.256 1.00 . A A . 4 PRO HD2 1 1 2 465 1 1 4 PRO HD3 H 5.085 9.530 -0.021 1.00 . A A . 4 PRO HD3 1 1 2 466 1 1 4 PRO HG2 H 5.827 8.158 -2.192 1.00 . A A . 4 PRO HG2 1 1 2 467 1 1 4 PRO HG3 H 5.439 9.887 -2.266 1.00 . A A . 4 PRO HG3 1 1 2 468 1 1 4 PRO N N 3.132 9.285 -0.796 1.00 . A A . 4 PRO N 1 1 2 469 1 1 4 PRO O O 1.547 7.126 -1.770 1.00 . A A . 4 PRO O 1 1 2 470 1 1 5 CYS C C -0.600 6.744 -4.079 1.00 . A A . 5 CYS C 1 1 2 471 1 1 5 CYS CA C -0.750 7.892 -3.085 1.00 . A A . 5 CYS CA 1 1 2 472 1 1 5 CYS CB C -1.931 8.804 -3.460 1.00 . A A . 5 CYS CB 1 1 2 473 1 1 5 CYS H H 0.520 9.525 -3.427 1.00 . A A . 5 CYS H 1 1 2 474 1 1 5 CYS HA H -0.951 7.467 -2.112 1.00 . A A . 5 CYS HA 1 1 2 475 1 1 5 CYS HB2 H -2.078 9.530 -2.675 1.00 . A A . 5 CYS HB2 1 1 2 476 1 1 5 CYS HB3 H -1.675 9.324 -4.372 1.00 . A A . 5 CYS HB3 1 1 2 477 1 1 5 CYS N N 0.464 8.662 -2.969 1.00 . A A . 5 CYS N 1 1 2 478 1 1 5 CYS O O -0.476 6.960 -5.297 1.00 . A A . 5 CYS O 1 1 2 479 1 1 5 CYS SG S -3.537 7.952 -3.729 1.00 . A A . 5 CYS SG 1 1 2 480 1 1 6 PHE C C -1.536 3.362 -3.821 1.00 . A A . 6 PHE C 1 1 2 481 1 1 6 PHE CA C -0.525 4.345 -4.372 1.00 . A A . 6 PHE CA 1 1 2 482 1 1 6 PHE CB C 0.894 3.722 -4.434 1.00 . A A . 6 PHE CB 1 1 2 483 1 1 6 PHE CD1 C 2.204 4.162 -2.331 1.00 . A A . 6 PHE CD1 1 1 2 484 1 1 6 PHE CD2 C 1.311 1.978 -2.656 1.00 . A A . 6 PHE CD2 1 1 2 485 1 1 6 PHE CE1 C 2.750 3.765 -1.128 1.00 . A A . 6 PHE CE1 1 1 2 486 1 1 6 PHE CE2 C 1.853 1.573 -1.452 1.00 . A A . 6 PHE CE2 1 1 2 487 1 1 6 PHE CG C 1.478 3.280 -3.109 1.00 . A A . 6 PHE CG 1 1 2 488 1 1 6 PHE CZ C 2.575 2.468 -0.687 1.00 . A A . 6 PHE CZ 1 1 2 489 1 1 6 PHE H H -0.562 5.473 -2.577 1.00 . A A . 6 PHE H 1 1 2 490 1 1 6 PHE HA H -0.842 4.627 -5.365 1.00 . A A . 6 PHE HA 1 1 2 491 1 1 6 PHE HB2 H 0.864 2.854 -5.075 1.00 . A A . 6 PHE HB2 1 1 2 492 1 1 6 PHE HB3 H 1.567 4.446 -4.871 1.00 . A A . 6 PHE HB3 1 1 2 493 1 1 6 PHE HD1 H 2.341 5.177 -2.672 1.00 . A A . 6 PHE HD1 1 1 2 494 1 1 6 PHE HD2 H 0.746 1.278 -3.253 1.00 . A A . 6 PHE HD2 1 1 2 495 1 1 6 PHE HE1 H 3.313 4.471 -0.537 1.00 . A A . 6 PHE HE1 1 1 2 496 1 1 6 PHE HE2 H 1.713 0.558 -1.110 1.00 . A A . 6 PHE HE2 1 1 2 497 1 1 6 PHE HZ H 3.001 2.155 0.254 1.00 . A A . 6 PHE HZ 1 1 2 498 1 1 6 PHE N N -0.563 5.546 -3.559 1.00 . A A . 6 PHE N 1 1 2 499 1 1 6 PHE O O -1.868 3.428 -2.630 1.00 . A A . 6 PHE O 1 1 2 500 1 1 7 CYS C C -2.702 0.149 -4.656 1.00 . A A . 7 CYS C 1 1 2 501 1 1 7 CYS CA C -3.051 1.537 -4.225 1.00 . A A . 7 CYS CA 1 1 2 502 1 1 7 CYS CB C -4.412 1.911 -4.783 1.00 . A A . 7 CYS CB 1 1 2 503 1 1 7 CYS H H -1.732 2.436 -5.587 1.00 . A A . 7 CYS H 1 1 2 504 1 1 7 CYS HA H -3.112 1.495 -3.150 1.00 . A A . 7 CYS HA 1 1 2 505 1 1 7 CYS HB2 H -4.403 1.730 -5.845 1.00 . A A . 7 CYS HB2 1 1 2 506 1 1 7 CYS HB3 H -5.148 1.260 -4.336 1.00 . A A . 7 CYS HB3 1 1 2 507 1 1 7 CYS N N -2.038 2.481 -4.654 1.00 . A A . 7 CYS N 1 1 2 508 1 1 7 CYS O O -2.149 -0.067 -5.733 1.00 . A A . 7 CYS O 1 1 2 509 1 1 7 CYS SG S -4.929 3.640 -4.469 1.00 . A A . 7 CYS SG 1 1 2 510 1 1 8 VAL C C -4.011 -2.940 -3.629 1.00 . A A . 8 VAL C 1 1 2 511 1 1 8 VAL CA C -2.764 -2.145 -4.001 1.00 . A A . 8 VAL CA 1 1 2 512 1 1 8 VAL CB C -1.580 -2.606 -3.132 1.00 . A A . 8 VAL CB 1 1 2 513 1 1 8 VAL CG1 C -0.245 -2.209 -3.746 1.00 . A A . 8 VAL CG1 1 1 2 514 1 1 8 VAL CG2 C -1.678 -2.050 -1.706 1.00 . A A . 8 VAL CG2 1 1 2 515 1 1 8 VAL H H -3.426 -0.562 -2.943 1.00 . A A . 8 VAL H 1 1 2 516 1 1 8 VAL HA H -2.516 -2.313 -5.038 1.00 . A A . 8 VAL HA 1 1 2 517 1 1 8 VAL HB H -1.708 -3.667 -3.080 1.00 . A A . 8 VAL HB 1 1 2 518 1 1 8 VAL HG11 H -0.142 -2.673 -4.716 1.00 . A A . 8 VAL HG11 1 1 2 519 1 1 8 VAL HG12 H 0.559 -2.535 -3.103 1.00 . A A . 8 VAL HG12 1 1 2 520 1 1 8 VAL HG13 H -0.207 -1.136 -3.856 1.00 . A A . 8 VAL HG13 1 1 2 521 1 1 8 VAL HG21 H -0.837 -2.397 -1.124 1.00 . A A . 8 VAL HG21 1 1 2 522 1 1 8 VAL HG22 H -2.596 -2.388 -1.251 1.00 . A A . 8 VAL HG22 1 1 2 523 1 1 8 VAL HG23 H -1.671 -0.971 -1.742 1.00 . A A . 8 VAL HG23 1 1 2 524 1 1 8 VAL N N -3.007 -0.774 -3.804 1.00 . A A . 8 VAL N 1 1 2 525 1 1 8 VAL O O -4.713 -2.593 -2.665 1.00 . A A . 8 VAL O 1 1 2 526 1 1 9 GLU C C -5.014 -5.996 -3.333 1.00 . A A . 9 GLU C 1 1 2 527 1 1 9 GLU CA C -5.455 -4.781 -4.096 1.00 . A A . 9 GLU CA 1 1 2 528 1 1 9 GLU CB C -6.235 -5.192 -5.348 1.00 . A A . 9 GLU CB 1 1 2 529 1 1 9 GLU CD C -8.288 -6.405 -6.203 1.00 . A A . 9 GLU CD 1 1 2 530 1 1 9 GLU CG C -7.485 -5.998 -5.008 1.00 . A A . 9 GLU CG 1 1 2 531 1 1 9 GLU H H -3.744 -4.198 -5.152 1.00 . A A . 9 GLU H 1 1 2 532 1 1 9 GLU HA H -6.111 -4.215 -3.454 1.00 . A A . 9 GLU HA 1 1 2 533 1 1 9 GLU HB2 H -6.530 -4.304 -5.888 1.00 . A A . 9 GLU HB2 1 1 2 534 1 1 9 GLU HB3 H -5.600 -5.798 -5.978 1.00 . A A . 9 GLU HB3 1 1 2 535 1 1 9 GLU HG2 H -7.181 -6.895 -4.487 1.00 . A A . 9 GLU HG2 1 1 2 536 1 1 9 GLU HG3 H -8.106 -5.407 -4.352 1.00 . A A . 9 GLU HG3 1 1 2 537 1 1 9 GLU N N -4.317 -3.961 -4.391 1.00 . A A . 9 GLU N 1 1 2 538 1 1 9 GLU O O -4.345 -6.883 -3.871 1.00 . A A . 9 GLU O 1 1 2 539 1 1 9 GLU OE1 O -8.038 -7.479 -6.762 1.00 . A A . 9 GLU OE1 1 1 2 540 1 1 9 GLU OE2 O -9.227 -5.674 -6.582 1.00 . A A . 9 GLU OE2 1 1 2 541 1 1 10 ASP C C -6.097 -8.164 -1.348 1.00 . A A . 10 ASP C 1 1 2 542 1 1 10 ASP CA C -4.997 -7.164 -1.271 1.00 . A A . 10 ASP CA 1 1 2 543 1 1 10 ASP CB C -4.726 -6.800 0.176 1.00 . A A . 10 ASP CB 1 1 2 544 1 1 10 ASP CG C -4.503 -8.029 1.024 1.00 . A A . 10 ASP CG 1 1 2 545 1 1 10 ASP H H -5.804 -5.263 -1.677 1.00 . A A . 10 ASP H 1 1 2 546 1 1 10 ASP HA H -4.109 -7.611 -1.693 1.00 . A A . 10 ASP HA 1 1 2 547 1 1 10 ASP HB2 H -3.860 -6.160 0.248 1.00 . A A . 10 ASP HB2 1 1 2 548 1 1 10 ASP HB3 H -5.593 -6.287 0.564 1.00 . A A . 10 ASP HB3 1 1 2 549 1 1 10 ASP N N -5.327 -6.022 -2.075 1.00 . A A . 10 ASP N 1 1 2 550 1 1 10 ASP O O -7.201 -7.925 -0.851 1.00 . A A . 10 ASP O 1 1 2 551 1 1 10 ASP OD1 O -3.701 -8.898 0.646 1.00 . A A . 10 ASP OD1 1 1 2 552 1 1 10 ASP OD2 O -5.139 -8.158 2.078 1.00 . A A . 10 ASP OD2 1 1 2 553 1 1 11 GLU C C -7.048 -11.044 -0.833 1.00 . A A . 11 GLU C 1 1 2 554 1 1 11 GLU CA C -6.773 -10.332 -2.154 1.00 . A A . 11 GLU CA 1 1 2 555 1 1 11 GLU CB C -6.296 -11.321 -3.215 1.00 . A A . 11 GLU CB 1 1 2 556 1 1 11 GLU CD C -5.657 -11.724 -5.628 1.00 . A A . 11 GLU CD 1 1 2 557 1 1 11 GLU CG C -6.133 -10.716 -4.605 1.00 . A A . 11 GLU CG 1 1 2 558 1 1 11 GLU H H -4.912 -9.380 -2.360 1.00 . A A . 11 GLU H 1 1 2 559 1 1 11 GLU HA H -7.693 -9.880 -2.494 1.00 . A A . 11 GLU HA 1 1 2 560 1 1 11 GLU HB2 H -5.342 -11.720 -2.906 1.00 . A A . 11 GLU HB2 1 1 2 561 1 1 11 GLU HB3 H -7.008 -12.132 -3.277 1.00 . A A . 11 GLU HB3 1 1 2 562 1 1 11 GLU HG2 H -7.086 -10.325 -4.927 1.00 . A A . 11 GLU HG2 1 1 2 563 1 1 11 GLU HG3 H -5.418 -9.909 -4.551 1.00 . A A . 11 GLU HG3 1 1 2 564 1 1 11 GLU N N -5.812 -9.270 -1.981 1.00 . A A . 11 GLU N 1 1 2 565 1 1 11 GLU O O -8.098 -11.649 -0.666 1.00 . A A . 11 GLU O 1 1 2 566 1 1 11 GLU OE1 O -4.459 -11.730 -5.969 1.00 . A A . 11 GLU OE1 1 1 2 567 1 1 11 GLU OE2 O -6.464 -12.551 -6.088 1.00 . A A . 11 GLU OE2 1 1 2 568 1 1 12 THR C C -7.468 -10.915 2.153 1.00 . A A . 12 THR C 1 1 2 569 1 1 12 THR CA C -6.269 -11.545 1.423 1.00 . A A . 12 THR CA 1 1 2 570 1 1 12 THR CB C -4.999 -11.323 2.263 1.00 . A A . 12 THR CB 1 1 2 571 1 1 12 THR CG2 C -4.883 -12.382 3.351 1.00 . A A . 12 THR CG2 1 1 2 572 1 1 12 THR H H -5.308 -10.402 -0.057 1.00 . A A . 12 THR H 1 1 2 573 1 1 12 THR HA H -6.434 -12.604 1.289 1.00 . A A . 12 THR HA 1 1 2 574 1 1 12 THR HB H -5.045 -10.344 2.717 1.00 . A A . 12 THR HB 1 1 2 575 1 1 12 THR HG1 H -3.674 -10.478 1.130 1.00 . A A . 12 THR HG1 1 1 2 576 1 1 12 THR HG21 H -5.744 -12.325 4.001 1.00 . A A . 12 THR HG21 1 1 2 577 1 1 12 THR HG22 H -3.985 -12.213 3.926 1.00 . A A . 12 THR HG22 1 1 2 578 1 1 12 THR HG23 H -4.841 -13.361 2.897 1.00 . A A . 12 THR HG23 1 1 2 579 1 1 12 THR N N -6.123 -10.918 0.118 1.00 . A A . 12 THR N 1 1 2 580 1 1 12 THR O O -8.367 -11.610 2.629 1.00 . A A . 12 THR O 1 1 2 581 1 1 12 THR OG1 O -3.839 -11.400 1.402 1.00 . A A . 12 THR OG1 1 1 2 582 1 1 13 SER C C -9.731 -8.765 1.781 1.00 . A A . 13 SER C 1 1 2 583 1 1 13 SER CA C -8.580 -8.864 2.792 1.00 . A A . 13 SER CA 1 1 2 584 1 1 13 SER CB C -8.101 -7.479 3.171 1.00 . A A . 13 SER CB 1 1 2 585 1 1 13 SER H H -6.690 -9.087 1.900 1.00 . A A . 13 SER H 1 1 2 586 1 1 13 SER HA H -8.913 -9.377 3.680 1.00 . A A . 13 SER HA 1 1 2 587 1 1 13 SER HB2 H -7.930 -6.928 2.262 1.00 . A A . 13 SER HB2 1 1 2 588 1 1 13 SER HB3 H -8.853 -6.983 3.765 1.00 . A A . 13 SER HB3 1 1 2 589 1 1 13 SER HG H -6.164 -7.677 3.274 1.00 . A A . 13 SER HG 1 1 2 590 1 1 13 SER N N -7.479 -9.593 2.209 1.00 . A A . 13 SER N 1 1 2 591 1 1 13 SER O O -10.897 -8.567 2.147 1.00 . A A . 13 SER O 1 1 2 592 1 1 13 SER OG O -6.888 -7.556 3.914 1.00 . A A . 13 SER OG 1 1 2 593 1 1 14 GLY C C -10.710 -7.404 -0.868 1.00 . A A . 14 GLY C 1 1 2 594 1 1 14 GLY CA C -10.356 -8.833 -0.564 1.00 . A A . 14 GLY CA 1 1 2 595 1 1 14 GLY H H -8.444 -9.073 0.286 1.00 . A A . 14 GLY H 1 1 2 596 1 1 14 GLY HA2 H -9.942 -9.293 -1.449 1.00 . A A . 14 GLY HA2 1 1 2 597 1 1 14 GLY HA3 H -11.253 -9.361 -0.277 1.00 . A A . 14 GLY HA3 1 1 2 598 1 1 14 GLY N N -9.387 -8.912 0.509 1.00 . A A . 14 GLY N 1 1 2 599 1 1 14 GLY O O -11.759 -7.118 -1.445 1.00 . A A . 14 GLY O 1 1 2 600 1 1 15 ALA C C -8.823 -4.364 -0.965 1.00 . A A . 15 ALA C 1 1 2 601 1 1 15 ALA CA C -10.088 -5.110 -0.658 1.00 . A A . 15 ALA CA 1 1 2 602 1 1 15 ALA CB C -10.715 -4.569 0.613 1.00 . A A . 15 ALA CB 1 1 2 603 1 1 15 ALA H H -8.947 -6.795 -0.190 1.00 . A A . 15 ALA H 1 1 2 604 1 1 15 ALA HA H -10.794 -4.972 -1.463 1.00 . A A . 15 ALA HA 1 1 2 605 1 1 15 ALA HB1 H -10.022 -4.687 1.432 1.00 . A A . 15 ALA HB1 1 1 2 606 1 1 15 ALA HB2 H -11.621 -5.118 0.827 1.00 . A A . 15 ALA HB2 1 1 2 607 1 1 15 ALA HB3 H -10.947 -3.523 0.484 1.00 . A A . 15 ALA HB3 1 1 2 608 1 1 15 ALA N N -9.826 -6.508 -0.519 1.00 . A A . 15 ALA N 1 1 2 609 1 1 15 ALA O O -7.749 -4.675 -0.414 1.00 . A A . 15 ALA O 1 1 2 610 1 1 16 LYS C C -7.654 -1.514 -1.140 1.00 . A A . 16 LYS C 1 1 2 611 1 1 16 LYS CA C -7.856 -2.564 -2.214 1.00 . A A . 16 LYS CA 1 1 2 612 1 1 16 LYS CB C -8.153 -1.924 -3.564 1.00 . A A . 16 LYS CB 1 1 2 613 1 1 16 LYS CD C -7.552 -0.292 -5.368 1.00 . A A . 16 LYS CD 1 1 2 614 1 1 16 LYS CE C -8.938 0.356 -5.308 1.00 . A A . 16 LYS CE 1 1 2 615 1 1 16 LYS CG C -7.144 -0.896 -4.036 1.00 . A A . 16 LYS CG 1 1 2 616 1 1 16 LYS H H -9.781 -3.304 -2.335 1.00 . A A . 16 LYS H 1 1 2 617 1 1 16 LYS HA H -6.946 -3.131 -2.284 1.00 . A A . 16 LYS HA 1 1 2 618 1 1 16 LYS HB2 H -8.205 -2.700 -4.312 1.00 . A A . 16 LYS HB2 1 1 2 619 1 1 16 LYS HB3 H -9.116 -1.444 -3.490 1.00 . A A . 16 LYS HB3 1 1 2 620 1 1 16 LYS HD2 H -6.830 0.458 -5.654 1.00 . A A . 16 LYS HD2 1 1 2 621 1 1 16 LYS HD3 H -7.565 -1.078 -6.110 1.00 . A A . 16 LYS HD3 1 1 2 622 1 1 16 LYS HE2 H -9.674 -0.397 -5.072 1.00 . A A . 16 LYS HE2 1 1 2 623 1 1 16 LYS HE3 H -8.938 1.113 -4.538 1.00 . A A . 16 LYS HE3 1 1 2 624 1 1 16 LYS HG2 H -7.061 -0.123 -3.286 1.00 . A A . 16 LYS HG2 1 1 2 625 1 1 16 LYS HG3 H -6.185 -1.382 -4.145 1.00 . A A . 16 LYS HG3 1 1 2 626 1 1 16 LYS HZ1 H -8.663 1.747 -6.824 1.00 . A A . 16 LYS HZ1 1 1 2 627 1 1 16 LYS HZ2 H -10.281 1.348 -6.562 1.00 . A A . 16 LYS HZ2 1 1 2 628 1 1 16 LYS HZ3 H -9.269 0.276 -7.365 1.00 . A A . 16 LYS HZ3 1 1 2 629 1 1 16 LYS N N -8.933 -3.430 -1.859 1.00 . A A . 16 LYS N 1 1 2 630 1 1 16 LYS NZ N -9.313 0.971 -6.592 1.00 . A A . 16 LYS NZ 1 1 2 631 1 1 16 LYS O O -8.611 -1.008 -0.552 1.00 . A A . 16 LYS O 1 1 2 632 1 1 17 THR C C -5.037 0.675 -0.540 1.00 . A A . 17 THR C 1 1 2 633 1 1 17 THR CA C -6.076 -0.247 0.086 1.00 . A A . 17 THR CA 1 1 2 634 1 1 17 THR CB C -5.541 -0.913 1.381 1.00 . A A . 17 THR CB 1 1 2 635 1 1 17 THR CG2 C -5.249 0.125 2.460 1.00 . A A . 17 THR CG2 1 1 2 636 1 1 17 THR H H -5.701 -1.692 -1.338 1.00 . A A . 17 THR H 1 1 2 637 1 1 17 THR HA H -6.964 0.320 0.321 1.00 . A A . 17 THR HA 1 1 2 638 1 1 17 THR HB H -4.641 -1.465 1.149 1.00 . A A . 17 THR HB 1 1 2 639 1 1 17 THR HG1 H -7.399 -1.418 1.666 1.00 . A A . 17 THR HG1 1 1 2 640 1 1 17 THR HG21 H -4.871 -0.368 3.343 1.00 . A A . 17 THR HG21 1 1 2 641 1 1 17 THR HG22 H -6.158 0.654 2.705 1.00 . A A . 17 THR HG22 1 1 2 642 1 1 17 THR HG23 H -4.513 0.826 2.095 1.00 . A A . 17 THR HG23 1 1 2 643 1 1 17 THR N N -6.430 -1.230 -0.866 1.00 . A A . 17 THR N 1 1 2 644 1 1 17 THR O O -4.193 0.232 -1.341 1.00 . A A . 17 THR O 1 1 2 645 1 1 17 THR OG1 O -6.549 -1.821 1.875 1.00 . A A . 17 THR OG1 1 1 2 646 1 1 18 CYS C C -3.489 3.460 0.402 1.00 . A A . 18 CYS C 1 1 2 647 1 1 18 CYS CA C -4.244 2.893 -0.753 1.00 . A A . 18 CYS CA 1 1 2 648 1 1 18 CYS CB C -4.977 4.025 -1.464 1.00 . A A . 18 CYS CB 1 1 2 649 1 1 18 CYS H H -5.879 2.237 0.317 1.00 . A A . 18 CYS H 1 1 2 650 1 1 18 CYS HA H -3.560 2.427 -1.445 1.00 . A A . 18 CYS HA 1 1 2 651 1 1 18 CYS HB2 H -5.537 4.583 -0.733 1.00 . A A . 18 CYS HB2 1 1 2 652 1 1 18 CYS HB3 H -4.234 4.686 -1.886 1.00 . A A . 18 CYS HB3 1 1 2 653 1 1 18 CYS N N -5.153 1.927 -0.263 1.00 . A A . 18 CYS N 1 1 2 654 1 1 18 CYS O O -3.894 3.304 1.565 1.00 . A A . 18 CYS O 1 1 2 655 1 1 18 CYS SG S -6.092 3.506 -2.815 1.00 . A A . 18 CYS SG 1 1 2 656 1 1 19 VAL C C -1.465 6.196 0.602 1.00 . A A . 19 VAL C 1 1 2 657 1 1 19 VAL CA C -1.619 4.766 1.082 1.00 . A A . 19 VAL CA 1 1 2 658 1 1 19 VAL CB C -0.214 4.109 1.254 1.00 . A A . 19 VAL CB 1 1 2 659 1 1 19 VAL CG1 C 0.618 4.859 2.289 1.00 . A A . 19 VAL CG1 1 1 2 660 1 1 19 VAL CG2 C -0.342 2.641 1.654 1.00 . A A . 19 VAL CG2 1 1 2 661 1 1 19 VAL H H -2.146 4.122 -0.841 1.00 . A A . 19 VAL H 1 1 2 662 1 1 19 VAL HA H -2.157 4.739 2.018 1.00 . A A . 19 VAL HA 1 1 2 663 1 1 19 VAL HB H 0.302 4.161 0.307 1.00 . A A . 19 VAL HB 1 1 2 664 1 1 19 VAL HG11 H 0.113 4.831 3.243 1.00 . A A . 19 VAL HG11 1 1 2 665 1 1 19 VAL HG12 H 0.737 5.887 1.978 1.00 . A A . 19 VAL HG12 1 1 2 666 1 1 19 VAL HG13 H 1.588 4.394 2.380 1.00 . A A . 19 VAL HG13 1 1 2 667 1 1 19 VAL HG21 H -0.888 2.107 0.890 1.00 . A A . 19 VAL HG21 1 1 2 668 1 1 19 VAL HG22 H -0.872 2.569 2.592 1.00 . A A . 19 VAL HG22 1 1 2 669 1 1 19 VAL HG23 H 0.642 2.209 1.763 1.00 . A A . 19 VAL HG23 1 1 2 670 1 1 19 VAL N N -2.415 4.090 0.104 1.00 . A A . 19 VAL N 1 1 2 671 1 1 19 VAL O O -0.922 6.406 -0.473 1.00 . A A . 19 VAL O 1 1 2 672 1 1 20 PRO C C -4.243 6.417 2.211 1.00 . A A . 20 PRO C 1 1 2 673 1 1 20 PRO CA C -2.837 6.967 2.535 1.00 . A A . 20 PRO CA 1 1 2 674 1 1 20 PRO CB C -2.943 8.366 3.146 1.00 . A A . 20 PRO CB 1 1 2 675 1 1 20 PRO CD C -1.914 8.623 1.006 1.00 . A A . 20 PRO CD 1 1 2 676 1 1 20 PRO CG C -2.856 9.281 1.982 1.00 . A A . 20 PRO CG 1 1 2 677 1 1 20 PRO HA H -2.340 6.302 3.225 1.00 . A A . 20 PRO HA 1 1 2 678 1 1 20 PRO HB2 H -3.886 8.464 3.662 1.00 . A A . 20 PRO HB2 1 1 2 679 1 1 20 PRO HB3 H -2.127 8.527 3.836 1.00 . A A . 20 PRO HB3 1 1 2 680 1 1 20 PRO HD2 H -2.225 8.818 -0.010 1.00 . A A . 20 PRO HD2 1 1 2 681 1 1 20 PRO HD3 H -0.903 8.970 1.162 1.00 . A A . 20 PRO HD3 1 1 2 682 1 1 20 PRO HG2 H -3.838 9.399 1.554 1.00 . A A . 20 PRO HG2 1 1 2 683 1 1 20 PRO HG3 H -2.477 10.242 2.285 1.00 . A A . 20 PRO HG3 1 1 2 684 1 1 20 PRO N N -2.031 7.191 1.323 1.00 . A A . 20 PRO N 1 1 2 685 1 1 20 PRO O O -4.669 6.387 1.040 1.00 . A A . 20 PRO O 1 1 2 686 1 1 21 ASP C C -7.236 6.237 2.346 1.00 . A A . 21 ASP C 1 1 2 687 1 1 21 ASP CA C -6.268 5.371 3.138 1.00 . A A . 21 ASP CA 1 1 2 688 1 1 21 ASP CB C -6.833 5.101 4.537 1.00 . A A . 21 ASP CB 1 1 2 689 1 1 21 ASP CG C -8.242 4.534 4.536 1.00 . A A . 21 ASP CG 1 1 2 690 1 1 21 ASP H H -4.548 6.087 4.136 1.00 . A A . 21 ASP H 1 1 2 691 1 1 21 ASP HA H -6.153 4.425 2.631 1.00 . A A . 21 ASP HA 1 1 2 692 1 1 21 ASP HB2 H -6.188 4.415 5.065 1.00 . A A . 21 ASP HB2 1 1 2 693 1 1 21 ASP HB3 H -6.850 6.046 5.056 1.00 . A A . 21 ASP HB3 1 1 2 694 1 1 21 ASP N N -4.940 5.985 3.242 1.00 . A A . 21 ASP N 1 1 2 695 1 1 21 ASP O O -7.428 7.410 2.648 1.00 . A A . 21 ASP O 1 1 2 696 1 1 21 ASP OD1 O -8.412 3.306 4.491 1.00 . A A . 21 ASP OD1 1 1 2 697 1 1 21 ASP OD2 O -9.219 5.319 4.616 1.00 . A A . 21 ASP OD2 1 1 2 698 1 1 22 ASN C C -8.310 7.544 -0.234 1.00 . A A . 22 ASN C 1 1 2 699 1 1 22 ASN CA C -8.780 6.253 0.433 1.00 . A A . 22 ASN CA 1 1 2 700 1 1 22 ASN CB C -10.122 6.460 1.142 1.00 . A A . 22 ASN CB 1 1 2 701 1 1 22 ASN CG C -10.925 5.180 1.323 1.00 . A A . 22 ASN CG 1 1 2 702 1 1 22 ASN H H -7.574 4.709 1.153 1.00 . A A . 22 ASN H 1 1 2 703 1 1 22 ASN HA H -8.946 5.537 -0.359 1.00 . A A . 22 ASN HA 1 1 2 704 1 1 22 ASN HB2 H -9.951 6.901 2.113 1.00 . A A . 22 ASN HB2 1 1 2 705 1 1 22 ASN HB3 H -10.685 7.139 0.529 1.00 . A A . 22 ASN HB3 1 1 2 706 1 1 22 ASN HD21 H -10.096 4.835 3.098 1.00 . A A . 22 ASN HD21 1 1 2 707 1 1 22 ASN HD22 H -11.258 3.682 2.562 1.00 . A A . 22 ASN HD22 1 1 2 708 1 1 22 ASN N N -7.801 5.643 1.318 1.00 . A A . 22 ASN N 1 1 2 709 1 1 22 ASN ND2 N -10.740 4.502 2.428 1.00 . A A . 22 ASN ND2 1 1 2 710 1 1 22 ASN O O -9.135 8.389 -0.583 1.00 . A A . 22 ASN O 1 1 2 711 1 1 22 ASN OD1 O -11.730 4.812 0.459 1.00 . A A . 22 ASN OD1 1 1 2 712 1 1 23 CYS C C -7.053 8.945 -2.574 1.00 . A A . 23 CYS C 1 1 2 713 1 1 23 CYS CA C -6.481 8.877 -1.166 1.00 . A A . 23 CYS CA 1 1 2 714 1 1 23 CYS CB C -4.947 8.906 -1.193 1.00 . A A . 23 CYS CB 1 1 2 715 1 1 23 CYS H H -6.340 7.054 -0.092 1.00 . A A . 23 CYS H 1 1 2 716 1 1 23 CYS HA H -6.845 9.739 -0.636 1.00 . A A . 23 CYS HA 1 1 2 717 1 1 23 CYS HB2 H -4.621 9.742 -1.792 1.00 . A A . 23 CYS HB2 1 1 2 718 1 1 23 CYS HB3 H -4.587 9.032 -0.185 1.00 . A A . 23 CYS HB3 1 1 2 719 1 1 23 CYS N N -6.992 7.698 -0.450 1.00 . A A . 23 CYS N 1 1 2 720 1 1 23 CYS O O -7.349 10.024 -3.099 1.00 . A A . 23 CYS O 1 1 2 721 1 1 23 CYS SG S -4.164 7.401 -1.880 1.00 . A A . 23 CYS SG 1 1 2 722 1 1 24 ASP C C -9.311 7.470 -4.429 1.00 . A A . 24 ASP C 1 1 2 723 1 1 24 ASP CA C -7.823 7.709 -4.465 1.00 . A A . 24 ASP CA 1 1 2 724 1 1 24 ASP CB C -7.107 6.694 -5.350 1.00 . A A . 24 ASP CB 1 1 2 725 1 1 24 ASP CG C -7.764 6.539 -6.713 1.00 . A A . 24 ASP CG 1 1 2 726 1 1 24 ASP H H -7.063 6.999 -2.620 1.00 . A A . 24 ASP H 1 1 2 727 1 1 24 ASP HA H -7.685 8.690 -4.897 1.00 . A A . 24 ASP HA 1 1 2 728 1 1 24 ASP HB2 H -6.089 7.020 -5.499 1.00 . A A . 24 ASP HB2 1 1 2 729 1 1 24 ASP HB3 H -7.105 5.736 -4.854 1.00 . A A . 24 ASP HB3 1 1 2 730 1 1 24 ASP N N -7.271 7.795 -3.145 1.00 . A A . 24 ASP N 1 1 2 731 1 1 24 ASP O O -9.803 6.331 -4.499 1.00 . A A . 24 ASP O 1 1 2 732 1 1 24 ASP OD1 O -8.012 5.391 -7.132 1.00 . A A . 24 ASP OD1 1 1 2 733 1 1 24 ASP OD2 O -8.044 7.548 -7.385 1.00 . A A . 24 ASP OD2 1 1 2 734 1 1 25 ALA C C -11.779 9.900 -4.959 1.00 . A A . 25 ALA C 1 1 2 735 1 1 25 ALA CA C -11.436 8.591 -4.278 1.00 . A A . 25 ALA CA 1 1 2 736 1 1 25 ALA CB C -12.082 8.503 -2.900 1.00 . A A . 25 ALA CB 1 1 2 737 1 1 25 ALA H H -9.505 9.315 -3.847 1.00 . A A . 25 ALA H 1 1 2 738 1 1 25 ALA HA H -11.768 7.768 -4.896 1.00 . A A . 25 ALA HA 1 1 2 739 1 1 25 ALA HB1 H -11.744 9.328 -2.292 1.00 . A A . 25 ALA HB1 1 1 2 740 1 1 25 ALA HB2 H -11.804 7.572 -2.429 1.00 . A A . 25 ALA HB2 1 1 2 741 1 1 25 ALA HB3 H -13.157 8.549 -3.003 1.00 . A A . 25 ALA HB3 1 1 2 742 1 1 25 ALA N N -9.996 8.530 -4.178 1.00 . A A . 25 ALA N 1 1 2 743 1 1 25 ALA O O -12.942 10.292 -5.085 1.00 . A A . 25 ALA O 1 1 2 744 1 1 26 SER C C -10.238 11.683 -7.471 1.00 . A A . 26 SER C 1 1 2 745 1 1 26 SER CA C -10.813 11.814 -6.063 1.00 . A A . 26 SER CA 1 1 2 746 1 1 26 SER CB C -9.980 12.787 -5.239 1.00 . A A . 26 SER CB 1 1 2 747 1 1 26 SER H H -9.859 10.115 -5.411 1.00 . A A . 26 SER H 1 1 2 748 1 1 26 SER HA H -11.839 12.147 -6.091 1.00 . A A . 26 SER HA 1 1 2 749 1 1 26 SER HB2 H -8.933 12.568 -5.387 1.00 . A A . 26 SER HB2 1 1 2 750 1 1 26 SER HB3 H -10.188 13.800 -5.552 1.00 . A A . 26 SER HB3 1 1 2 751 1 1 26 SER HG H -11.052 13.209 -3.650 1.00 . A A . 26 SER HG 1 1 2 752 1 1 26 SER N N -10.740 10.537 -5.442 1.00 . A A . 26 SER N 1 1 2 753 1 1 26 SER O O -9.053 11.368 -7.643 1.00 . A A . 26 SER O 1 1 2 754 1 1 26 SER OG O -10.290 12.657 -3.853 1.00 . A A . 26 SER OG 1 1 2 755 1 1 27 ARG C C -10.964 13.045 -10.507 1.00 . A A . 27 ARG C 1 1 2 756 1 1 27 ARG CA C -10.676 11.725 -9.819 1.00 . A A . 27 ARG CA 1 1 2 757 1 1 27 ARG CB C -11.461 10.575 -10.469 1.00 . A A . 27 ARG CB 1 1 2 758 1 1 27 ARG CD C -9.573 9.669 -11.878 1.00 . A A . 27 ARG CD 1 1 2 759 1 1 27 ARG CG C -11.016 10.159 -11.860 1.00 . A A . 27 ARG CG 1 1 2 760 1 1 27 ARG CZ C -8.537 7.543 -11.067 1.00 . A A . 27 ARG CZ 1 1 2 761 1 1 27 ARG H H -12.009 12.059 -8.261 1.00 . A A . 27 ARG H 1 1 2 762 1 1 27 ARG HA H -9.619 11.508 -9.858 1.00 . A A . 27 ARG HA 1 1 2 763 1 1 27 ARG HB2 H -11.384 9.705 -9.835 1.00 . A A . 27 ARG HB2 1 1 2 764 1 1 27 ARG HB3 H -12.499 10.868 -10.520 1.00 . A A . 27 ARG HB3 1 1 2 765 1 1 27 ARG HD2 H -9.357 9.273 -12.860 1.00 . A A . 27 ARG HD2 1 1 2 766 1 1 27 ARG HD3 H -8.923 10.507 -11.685 1.00 . A A . 27 ARG HD3 1 1 2 767 1 1 27 ARG HE H -9.706 8.789 -9.988 1.00 . A A . 27 ARG HE 1 1 2 768 1 1 27 ARG HG2 H -11.657 9.364 -12.211 1.00 . A A . 27 ARG HG2 1 1 2 769 1 1 27 ARG HG3 H -11.106 11.011 -12.516 1.00 . A A . 27 ARG HG3 1 1 2 770 1 1 27 ARG HH11 H -8.295 7.799 -13.099 1.00 . A A . 27 ARG HH11 1 1 2 771 1 1 27 ARG HH12 H -7.480 6.458 -12.461 1.00 . A A . 27 ARG HH12 1 1 2 772 1 1 27 ARG HH21 H -8.556 6.915 -9.099 1.00 . A A . 27 ARG HH21 1 1 2 773 1 1 27 ARG HH22 H -7.686 5.918 -10.155 1.00 . A A . 27 ARG HH22 1 1 2 774 1 1 27 ARG N N -11.071 11.845 -8.450 1.00 . A A . 27 ARG N 1 1 2 775 1 1 27 ARG NE N -9.311 8.622 -10.873 1.00 . A A . 27 ARG NE 1 1 2 776 1 1 27 ARG NH1 N -8.077 7.246 -12.289 1.00 . A A . 27 ARG NH1 1 1 2 777 1 1 27 ARG NH2 N -8.240 6.748 -10.042 1.00 . A A . 27 ARG NH2 1 1 2 778 1 1 27 ARG O O -12.113 13.354 -10.832 1.00 . A A . 27 ARG O 1 1 2 779 1 1 28 GLY C C -9.506 15.172 -12.614 1.00 . A A . 28 GLY C 1 1 2 780 1 1 28 GLY CA C -10.122 15.130 -11.258 1.00 . A A . 28 GLY CA 1 1 2 781 1 1 28 GLY H H -9.056 13.554 -10.367 1.00 . A A . 28 GLY H 1 1 2 782 1 1 28 GLY HA2 H -11.179 15.337 -11.343 1.00 . A A . 28 GLY HA2 1 1 2 783 1 1 28 GLY HA3 H -9.662 15.885 -10.637 1.00 . A A . 28 GLY HA3 1 1 2 784 1 1 28 GLY N N -9.951 13.844 -10.654 1.00 . A A . 28 GLY N 1 1 2 785 1 1 28 GLY O O -10.210 15.169 -13.627 1.00 . A A . 28 GLY O 1 1 2 786 1 1 29 THR C C -6.050 14.727 -13.571 1.00 . A A . 29 THR C 1 1 2 787 1 1 29 THR CA C -7.464 15.206 -13.870 1.00 . A A . 29 THR CA 1 1 2 788 1 1 29 THR CB C -7.453 16.663 -14.464 1.00 . A A . 29 THR CB 1 1 2 789 1 1 29 THR CG2 C -6.841 17.666 -13.491 1.00 . A A . 29 THR CG2 1 1 2 790 1 1 29 THR H H -7.700 15.091 -11.810 1.00 . A A . 29 THR H 1 1 2 791 1 1 29 THR HA H -7.925 14.532 -14.577 1.00 . A A . 29 THR HA 1 1 2 792 1 1 29 THR HB H -8.479 16.944 -14.652 1.00 . A A . 29 THR HB 1 1 2 793 1 1 29 THR HG1 H -7.386 16.509 -16.399 1.00 . A A . 29 THR HG1 1 1 2 794 1 1 29 THR HG21 H -5.823 17.377 -13.273 1.00 . A A . 29 THR HG21 1 1 2 795 1 1 29 THR HG22 H -7.415 17.677 -12.576 1.00 . A A . 29 THR HG22 1 1 2 796 1 1 29 THR HG23 H -6.849 18.650 -13.934 1.00 . A A . 29 THR HG23 1 1 2 797 1 1 29 THR N N -8.211 15.156 -12.647 1.00 . A A . 29 THR N 1 1 2 798 1 1 29 THR O O -5.648 14.696 -12.404 1.00 . A A . 29 THR O 1 1 2 799 1 1 29 THR OG1 O -6.740 16.711 -15.709 1.00 . A A . 29 THR OG1 1 1 2 800 1 1 30 ASN C C -2.996 15.029 -14.652 1.00 . A A . 30 ASN C 1 1 2 801 1 1 30 ASN CA C -3.957 13.872 -14.415 1.00 . A A . 30 ASN CA 1 1 2 802 1 1 30 ASN CB C -3.631 12.730 -15.384 1.00 . A A . 30 ASN CB 1 1 2 803 1 1 30 ASN CG C -2.183 12.244 -15.279 1.00 . A A . 30 ASN CG 1 1 2 804 1 1 30 ASN H H -5.707 14.357 -15.489 1.00 . A A . 30 ASN H 1 1 2 805 1 1 30 ASN HA H -3.852 13.518 -13.402 1.00 . A A . 30 ASN HA 1 1 2 806 1 1 30 ASN HB2 H -4.281 11.894 -15.176 1.00 . A A . 30 ASN HB2 1 1 2 807 1 1 30 ASN HB3 H -3.803 13.067 -16.395 1.00 . A A . 30 ASN HB3 1 1 2 808 1 1 30 ASN HD21 H -2.167 12.431 -13.298 1.00 . A A . 30 ASN HD21 1 1 2 809 1 1 30 ASN HD22 H -0.702 11.899 -14.035 1.00 . A A . 30 ASN HD22 1 1 2 810 1 1 30 ASN N N -5.325 14.328 -14.585 1.00 . A A . 30 ASN N 1 1 2 811 1 1 30 ASN ND2 N -1.639 12.183 -14.090 1.00 . A A . 30 ASN ND2 1 1 2 812 1 1 30 ASN O O -2.848 15.487 -15.791 1.00 . A A . 30 ASN O 1 1 2 813 1 1 30 ASN OD1 O -1.581 11.864 -16.281 1.00 . A A . 30 ASN OD1 1 1 2 814 1 1 31 PRO C C -0.068 16.169 -14.234 1.00 . A A . 31 PRO C 1 1 2 815 1 1 31 PRO CA C -1.422 16.655 -13.700 1.00 . A A . 31 PRO CA 1 1 2 816 1 1 31 PRO CB C -1.289 17.173 -12.250 1.00 . A A . 31 PRO CB 1 1 2 817 1 1 31 PRO CD C -2.565 15.166 -12.194 1.00 . A A . 31 PRO CD 1 1 2 818 1 1 31 PRO CG C -2.335 16.450 -11.471 1.00 . A A . 31 PRO CG 1 1 2 819 1 1 31 PRO HA H -1.796 17.440 -14.340 1.00 . A A . 31 PRO HA 1 1 2 820 1 1 31 PRO HB2 H -0.304 16.939 -11.877 1.00 . A A . 31 PRO HB2 1 1 2 821 1 1 31 PRO HB3 H -1.447 18.241 -12.224 1.00 . A A . 31 PRO HB3 1 1 2 822 1 1 31 PRO HD2 H -1.853 14.414 -11.891 1.00 . A A . 31 PRO HD2 1 1 2 823 1 1 31 PRO HD3 H -3.578 14.836 -12.017 1.00 . A A . 31 PRO HD3 1 1 2 824 1 1 31 PRO HG2 H -1.983 16.255 -10.469 1.00 . A A . 31 PRO HG2 1 1 2 825 1 1 31 PRO HG3 H -3.243 17.032 -11.444 1.00 . A A . 31 PRO HG3 1 1 2 826 1 1 31 PRO N N -2.379 15.561 -13.592 1.00 . A A . 31 PRO N 1 1 2 827 1 1 31 PRO O O 0.195 16.326 -15.436 1.00 . A A . 31 PRO O 1 1 2 828 1 1 31 PRO OXT O 0.740 15.598 -13.457 1.00 . A A . 31 PRO OXT 1 1 3 829 1 1 1 ASP C C 4.052 13.535 3.704 1.00 . A A . 1 ASP C 1 1 3 830 1 1 1 ASP CA C 5.114 14.539 4.142 1.00 . A A . 1 ASP CA 1 1 3 831 1 1 1 ASP CB C 5.793 15.230 2.933 1.00 . A A . 1 ASP CB 1 1 3 832 1 1 1 ASP CG C 4.900 16.238 2.239 1.00 . A A . 1 ASP CG 1 1 3 833 1 1 1 ASP H1 H 6.877 14.416 5.240 1.00 . A A . 1 ASP H1 1 1 3 834 1 1 1 ASP H2 H 6.486 13.002 4.355 1.00 . A A . 1 ASP H2 1 1 3 835 1 1 1 ASP H3 H 5.645 13.386 5.744 1.00 . A A . 1 ASP H3 1 1 3 836 1 1 1 ASP HA H 4.653 15.270 4.789 1.00 . A A . 1 ASP HA 1 1 3 837 1 1 1 ASP HB2 H 6.676 15.748 3.276 1.00 . A A . 1 ASP HB2 1 1 3 838 1 1 1 ASP HB3 H 6.085 14.478 2.216 1.00 . A A . 1 ASP HB3 1 1 3 839 1 1 1 ASP N N 6.112 13.797 4.909 1.00 . A A . 1 ASP N 1 1 3 840 1 1 1 ASP O O 4.047 12.404 4.205 1.00 . A A . 1 ASP O 1 1 3 841 1 1 1 ASP OD1 O 4.227 15.878 1.268 1.00 . A A . 1 ASP OD1 1 1 3 842 1 1 1 ASP OD2 O 4.840 17.394 2.678 1.00 . A A . 1 ASP OD2 1 1 3 843 1 1 2 VAL C C 2.749 12.117 1.301 1.00 . A A . 2 VAL C 1 1 3 844 1 1 2 VAL CA C 2.140 13.035 2.334 1.00 . A A . 2 VAL CA 1 1 3 845 1 1 2 VAL CB C 0.963 13.830 1.707 1.00 . A A . 2 VAL CB 1 1 3 846 1 1 2 VAL CG1 C -0.161 12.897 1.266 1.00 . A A . 2 VAL CG1 1 1 3 847 1 1 2 VAL CG2 C 0.438 14.871 2.686 1.00 . A A . 2 VAL CG2 1 1 3 848 1 1 2 VAL H H 3.255 14.791 2.374 1.00 . A A . 2 VAL H 1 1 3 849 1 1 2 VAL HA H 1.780 12.455 3.171 1.00 . A A . 2 VAL HA 1 1 3 850 1 1 2 VAL HB H 1.335 14.344 0.833 1.00 . A A . 2 VAL HB 1 1 3 851 1 1 2 VAL HG11 H 0.217 12.200 0.531 1.00 . A A . 2 VAL HG11 1 1 3 852 1 1 2 VAL HG12 H -0.963 13.475 0.832 1.00 . A A . 2 VAL HG12 1 1 3 853 1 1 2 VAL HG13 H -0.532 12.352 2.121 1.00 . A A . 2 VAL HG13 1 1 3 854 1 1 2 VAL HG21 H 1.226 15.572 2.924 1.00 . A A . 2 VAL HG21 1 1 3 855 1 1 2 VAL HG22 H 0.113 14.378 3.590 1.00 . A A . 2 VAL HG22 1 1 3 856 1 1 2 VAL HG23 H -0.394 15.397 2.243 1.00 . A A . 2 VAL HG23 1 1 3 857 1 1 2 VAL N N 3.175 13.909 2.803 1.00 . A A . 2 VAL N 1 1 3 858 1 1 2 VAL O O 3.342 12.580 0.319 1.00 . A A . 2 VAL O 1 1 3 859 1 1 3 SER C C 2.454 9.811 -0.634 1.00 . A A . 3 SER C 1 1 3 860 1 1 3 SER CA C 3.220 9.859 0.684 1.00 . A A . 3 SER CA 1 1 3 861 1 1 3 SER CB C 3.123 8.512 1.374 1.00 . A A . 3 SER CB 1 1 3 862 1 1 3 SER H H 2.195 10.550 2.359 1.00 . A A . 3 SER H 1 1 3 863 1 1 3 SER HA H 4.261 10.081 0.513 1.00 . A A . 3 SER HA 1 1 3 864 1 1 3 SER HB2 H 2.084 8.237 1.477 1.00 . A A . 3 SER HB2 1 1 3 865 1 1 3 SER HB3 H 3.639 7.766 0.790 1.00 . A A . 3 SER HB3 1 1 3 866 1 1 3 SER HG H 4.470 9.171 2.613 1.00 . A A . 3 SER HG 1 1 3 867 1 1 3 SER N N 2.666 10.850 1.552 1.00 . A A . 3 SER N 1 1 3 868 1 1 3 SER O O 1.244 10.121 -0.665 1.00 . A A . 3 SER O 1 1 3 869 1 1 3 SER OG O 3.712 8.579 2.661 1.00 . A A . 3 SER OG 1 1 3 870 1 1 4 PRO C C 1.525 8.122 -2.821 1.00 . A A . 4 PRO C 1 1 3 871 1 1 4 PRO CA C 2.488 9.266 -3.017 1.00 . A A . 4 PRO CA 1 1 3 872 1 1 4 PRO CB C 3.625 8.841 -3.943 1.00 . A A . 4 PRO CB 1 1 3 873 1 1 4 PRO CD C 4.615 9.412 -1.861 1.00 . A A . 4 PRO CD 1 1 3 874 1 1 4 PRO CG C 4.840 9.440 -3.339 1.00 . A A . 4 PRO CG 1 1 3 875 1 1 4 PRO HA H 1.972 10.137 -3.395 1.00 . A A . 4 PRO HA 1 1 3 876 1 1 4 PRO HB2 H 3.678 7.762 -3.969 1.00 . A A . 4 PRO HB2 1 1 3 877 1 1 4 PRO HB3 H 3.436 9.225 -4.934 1.00 . A A . 4 PRO HB3 1 1 3 878 1 1 4 PRO HD2 H 4.975 8.485 -1.444 1.00 . A A . 4 PRO HD2 1 1 3 879 1 1 4 PRO HD3 H 5.096 10.259 -1.392 1.00 . A A . 4 PRO HD3 1 1 3 880 1 1 4 PRO HG2 H 5.712 8.859 -3.599 1.00 . A A . 4 PRO HG2 1 1 3 881 1 1 4 PRO HG3 H 4.953 10.459 -3.680 1.00 . A A . 4 PRO HG3 1 1 3 882 1 1 4 PRO N N 3.146 9.511 -1.748 1.00 . A A . 4 PRO N 1 1 3 883 1 1 4 PRO O O 1.917 7.061 -2.293 1.00 . A A . 4 PRO O 1 1 3 884 1 1 5 CYS C C -0.566 6.182 -3.817 1.00 . A A . 5 CYS C 1 1 3 885 1 1 5 CYS CA C -0.702 7.347 -2.914 1.00 . A A . 5 CYS CA 1 1 3 886 1 1 5 CYS CB C -2.099 7.881 -3.037 1.00 . A A . 5 CYS CB 1 1 3 887 1 1 5 CYS H H 0.081 9.134 -3.701 1.00 . A A . 5 CYS H 1 1 3 888 1 1 5 CYS HA H -0.560 7.019 -1.895 1.00 . A A . 5 CYS HA 1 1 3 889 1 1 5 CYS HB2 H -2.216 8.808 -2.495 1.00 . A A . 5 CYS HB2 1 1 3 890 1 1 5 CYS HB3 H -2.265 8.029 -4.095 1.00 . A A . 5 CYS HB3 1 1 3 891 1 1 5 CYS N N 0.295 8.323 -3.192 1.00 . A A . 5 CYS N 1 1 3 892 1 1 5 CYS O O -0.547 6.332 -5.053 1.00 . A A . 5 CYS O 1 1 3 893 1 1 5 CYS SG S -3.341 6.670 -2.466 1.00 . A A . 5 CYS SG 1 1 3 894 1 1 6 PHE C C -1.478 2.951 -3.506 1.00 . A A . 6 PHE C 1 1 3 895 1 1 6 PHE CA C -0.405 3.873 -4.013 1.00 . A A . 6 PHE CA 1 1 3 896 1 1 6 PHE CB C 0.973 3.220 -3.964 1.00 . A A . 6 PHE CB 1 1 3 897 1 1 6 PHE CD1 C 1.305 2.815 -6.384 1.00 . A A . 6 PHE CD1 1 1 3 898 1 1 6 PHE CD2 C 1.256 0.927 -4.936 1.00 . A A . 6 PHE CD2 1 1 3 899 1 1 6 PHE CE1 C 1.489 2.002 -7.465 1.00 . A A . 6 PHE CE1 1 1 3 900 1 1 6 PHE CE2 C 1.444 0.093 -6.021 1.00 . A A . 6 PHE CE2 1 1 3 901 1 1 6 PHE CG C 1.186 2.295 -5.110 1.00 . A A . 6 PHE CG 1 1 3 902 1 1 6 PHE CZ C 1.560 0.633 -7.292 1.00 . A A . 6 PHE CZ 1 1 3 903 1 1 6 PHE H H -0.382 4.982 -2.266 1.00 . A A . 6 PHE H 1 1 3 904 1 1 6 PHE HA H -0.633 4.146 -5.032 1.00 . A A . 6 PHE HA 1 1 3 905 1 1 6 PHE HB2 H 1.734 3.987 -3.999 1.00 . A A . 6 PHE HB2 1 1 3 906 1 1 6 PHE HB3 H 1.071 2.655 -3.049 1.00 . A A . 6 PHE HB3 1 1 3 907 1 1 6 PHE HD1 H 1.252 3.884 -6.522 1.00 . A A . 6 PHE HD1 1 1 3 908 1 1 6 PHE HD2 H 1.165 0.510 -3.944 1.00 . A A . 6 PHE HD2 1 1 3 909 1 1 6 PHE HE1 H 1.571 2.457 -8.440 1.00 . A A . 6 PHE HE1 1 1 3 910 1 1 6 PHE HE2 H 1.497 -0.975 -5.878 1.00 . A A . 6 PHE HE2 1 1 3 911 1 1 6 PHE HZ H 1.704 -0.015 -8.144 1.00 . A A . 6 PHE HZ 1 1 3 912 1 1 6 PHE N N -0.443 5.042 -3.244 1.00 . A A . 6 PHE N 1 1 3 913 1 1 6 PHE O O -1.636 2.782 -2.294 1.00 . A A . 6 PHE O 1 1 3 914 1 1 7 CYS C C -3.016 0.190 -4.660 1.00 . A A . 7 CYS C 1 1 3 915 1 1 7 CYS CA C -3.312 1.529 -4.078 1.00 . A A . 7 CYS CA 1 1 3 916 1 1 7 CYS CB C -4.648 2.029 -4.592 1.00 . A A . 7 CYS CB 1 1 3 917 1 1 7 CYS H H -2.122 2.672 -5.351 1.00 . A A . 7 CYS H 1 1 3 918 1 1 7 CYS HA H -3.362 1.444 -3.003 1.00 . A A . 7 CYS HA 1 1 3 919 1 1 7 CYS HB2 H -4.590 2.129 -5.665 1.00 . A A . 7 CYS HB2 1 1 3 920 1 1 7 CYS HB3 H -5.406 1.298 -4.354 1.00 . A A . 7 CYS HB3 1 1 3 921 1 1 7 CYS N N -2.255 2.439 -4.408 1.00 . A A . 7 CYS N 1 1 3 922 1 1 7 CYS O O -2.389 0.087 -5.725 1.00 . A A . 7 CYS O 1 1 3 923 1 1 7 CYS SG S -5.168 3.620 -3.884 1.00 . A A . 7 CYS SG 1 1 3 924 1 1 8 VAL C C -4.477 -2.917 -3.971 1.00 . A A . 8 VAL C 1 1 3 925 1 1 8 VAL CA C -3.229 -2.187 -4.369 1.00 . A A . 8 VAL CA 1 1 3 926 1 1 8 VAL CB C -2.028 -2.857 -3.603 1.00 . A A . 8 VAL CB 1 1 3 927 1 1 8 VAL CG1 C -1.684 -4.225 -4.176 1.00 . A A . 8 VAL CG1 1 1 3 928 1 1 8 VAL CG2 C -0.789 -1.973 -3.549 1.00 . A A . 8 VAL CG2 1 1 3 929 1 1 8 VAL H H -3.966 -0.662 -3.154 1.00 . A A . 8 VAL H 1 1 3 930 1 1 8 VAL HA H -3.066 -2.241 -5.434 1.00 . A A . 8 VAL HA 1 1 3 931 1 1 8 VAL HB H -2.380 -3.027 -2.598 1.00 . A A . 8 VAL HB 1 1 3 932 1 1 8 VAL HG11 H -0.868 -4.659 -3.617 1.00 . A A . 8 VAL HG11 1 1 3 933 1 1 8 VAL HG12 H -1.392 -4.118 -5.211 1.00 . A A . 8 VAL HG12 1 1 3 934 1 1 8 VAL HG13 H -2.550 -4.868 -4.110 1.00 . A A . 8 VAL HG13 1 1 3 935 1 1 8 VAL HG21 H -0.464 -1.749 -4.554 1.00 . A A . 8 VAL HG21 1 1 3 936 1 1 8 VAL HG22 H -0.002 -2.492 -3.023 1.00 . A A . 8 VAL HG22 1 1 3 937 1 1 8 VAL HG23 H -1.023 -1.053 -3.033 1.00 . A A . 8 VAL HG23 1 1 3 938 1 1 8 VAL N N -3.440 -0.823 -3.971 1.00 . A A . 8 VAL N 1 1 3 939 1 1 8 VAL O O -5.116 -2.543 -2.975 1.00 . A A . 8 VAL O 1 1 3 940 1 1 9 GLU C C -5.431 -5.771 -3.425 1.00 . A A . 9 GLU C 1 1 3 941 1 1 9 GLU CA C -5.971 -4.701 -4.340 1.00 . A A . 9 GLU CA 1 1 3 942 1 1 9 GLU CB C -6.653 -5.301 -5.568 1.00 . A A . 9 GLU CB 1 1 3 943 1 1 9 GLU CD C -8.610 -6.561 -6.493 1.00 . A A . 9 GLU CD 1 1 3 944 1 1 9 GLU CG C -7.952 -6.024 -5.256 1.00 . A A . 9 GLU CG 1 1 3 945 1 1 9 GLU H H -4.325 -4.131 -5.510 1.00 . A A . 9 GLU H 1 1 3 946 1 1 9 GLU HA H -6.663 -4.083 -3.788 1.00 . A A . 9 GLU HA 1 1 3 947 1 1 9 GLU HB2 H -6.867 -4.508 -6.268 1.00 . A A . 9 GLU HB2 1 1 3 948 1 1 9 GLU HB3 H -5.978 -6.004 -6.031 1.00 . A A . 9 GLU HB3 1 1 3 949 1 1 9 GLU HG2 H -7.744 -6.847 -4.590 1.00 . A A . 9 GLU HG2 1 1 3 950 1 1 9 GLU HG3 H -8.630 -5.334 -4.774 1.00 . A A . 9 GLU HG3 1 1 3 951 1 1 9 GLU N N -4.850 -3.907 -4.713 1.00 . A A . 9 GLU N 1 1 3 952 1 1 9 GLU O O -4.737 -6.682 -3.864 1.00 . A A . 9 GLU O 1 1 3 953 1 1 9 GLU OE1 O -8.366 -7.727 -6.850 1.00 . A A . 9 GLU OE1 1 1 3 954 1 1 9 GLU OE2 O -9.371 -5.822 -7.153 1.00 . A A . 9 GLU OE2 1 1 3 955 1 1 10 ASP C C -5.882 -7.797 -1.186 1.00 . A A . 10 ASP C 1 1 3 956 1 1 10 ASP CA C -5.150 -6.497 -1.165 1.00 . A A . 10 ASP CA 1 1 3 957 1 1 10 ASP CB C -5.233 -5.863 0.220 1.00 . A A . 10 ASP CB 1 1 3 958 1 1 10 ASP CG C -4.614 -6.727 1.274 1.00 . A A . 10 ASP CG 1 1 3 959 1 1 10 ASP H H -6.316 -4.922 -1.871 1.00 . A A . 10 ASP H 1 1 3 960 1 1 10 ASP HA H -4.113 -6.673 -1.404 1.00 . A A . 10 ASP HA 1 1 3 961 1 1 10 ASP HB2 H -4.715 -4.916 0.210 1.00 . A A . 10 ASP HB2 1 1 3 962 1 1 10 ASP HB3 H -6.270 -5.699 0.472 1.00 . A A . 10 ASP HB3 1 1 3 963 1 1 10 ASP N N -5.694 -5.624 -2.160 1.00 . A A . 10 ASP N 1 1 3 964 1 1 10 ASP O O -7.060 -7.852 -0.888 1.00 . A A . 10 ASP O 1 1 3 965 1 1 10 ASP OD1 O -3.391 -6.604 1.521 1.00 . A A . 10 ASP OD1 1 1 3 966 1 1 10 ASP OD2 O -5.311 -7.548 1.857 1.00 . A A . 10 ASP OD2 1 1 3 967 1 1 11 GLU C C -6.131 -10.790 -0.356 1.00 . A A . 11 GLU C 1 1 3 968 1 1 11 GLU CA C -5.731 -10.172 -1.695 1.00 . A A . 11 GLU CA 1 1 3 969 1 1 11 GLU CB C -4.732 -11.050 -2.441 1.00 . A A . 11 GLU CB 1 1 3 970 1 1 11 GLU CD C -2.373 -11.917 -2.627 1.00 . A A . 11 GLU CD 1 1 3 971 1 1 11 GLU CG C -3.346 -11.100 -1.816 1.00 . A A . 11 GLU CG 1 1 3 972 1 1 11 GLU H H -4.236 -8.680 -1.766 1.00 . A A . 11 GLU H 1 1 3 973 1 1 11 GLU HA H -6.620 -10.087 -2.302 1.00 . A A . 11 GLU HA 1 1 3 974 1 1 11 GLU HB2 H -5.114 -12.056 -2.524 1.00 . A A . 11 GLU HB2 1 1 3 975 1 1 11 GLU HB3 H -4.632 -10.618 -3.422 1.00 . A A . 11 GLU HB3 1 1 3 976 1 1 11 GLU HG2 H -2.963 -10.093 -1.743 1.00 . A A . 11 GLU HG2 1 1 3 977 1 1 11 GLU HG3 H -3.422 -11.527 -0.828 1.00 . A A . 11 GLU HG3 1 1 3 978 1 1 11 GLU N N -5.180 -8.828 -1.553 1.00 . A A . 11 GLU N 1 1 3 979 1 1 11 GLU O O -6.958 -11.701 -0.298 1.00 . A A . 11 GLU O 1 1 3 980 1 1 11 GLU OE1 O -2.129 -13.098 -2.285 1.00 . A A . 11 GLU OE1 1 1 3 981 1 1 11 GLU OE2 O -1.828 -11.394 -3.613 1.00 . A A . 11 GLU OE2 1 1 3 982 1 1 12 THR C C -7.245 -10.238 2.476 1.00 . A A . 12 THR C 1 1 3 983 1 1 12 THR CA C -5.873 -10.767 2.023 1.00 . A A . 12 THR CA 1 1 3 984 1 1 12 THR CB C -4.766 -10.312 2.992 1.00 . A A . 12 THR CB 1 1 3 985 1 1 12 THR CG2 C -4.874 -11.019 4.331 1.00 . A A . 12 THR CG2 1 1 3 986 1 1 12 THR H H -4.965 -9.514 0.602 1.00 . A A . 12 THR H 1 1 3 987 1 1 12 THR HA H -5.895 -11.845 1.988 1.00 . A A . 12 THR HA 1 1 3 988 1 1 12 THR HB H -4.849 -9.244 3.133 1.00 . A A . 12 THR HB 1 1 3 989 1 1 12 THR HG1 H -3.035 -9.782 2.262 1.00 . A A . 12 THR HG1 1 1 3 990 1 1 12 THR HG21 H -5.835 -10.806 4.773 1.00 . A A . 12 THR HG21 1 1 3 991 1 1 12 THR HG22 H -4.090 -10.667 4.987 1.00 . A A . 12 THR HG22 1 1 3 992 1 1 12 THR HG23 H -4.769 -12.083 4.190 1.00 . A A . 12 THR HG23 1 1 3 993 1 1 12 THR N N -5.584 -10.269 0.701 1.00 . A A . 12 THR N 1 1 3 994 1 1 12 THR O O -8.036 -10.952 3.090 1.00 . A A . 12 THR O 1 1 3 995 1 1 12 THR OG1 O -3.489 -10.621 2.402 1.00 . A A . 12 THR OG1 1 1 3 996 1 1 13 SER C C -9.799 -8.618 1.361 1.00 . A A . 13 SER C 1 1 3 997 1 1 13 SER CA C -8.769 -8.381 2.471 1.00 . A A . 13 SER CA 1 1 3 998 1 1 13 SER CB C -8.534 -6.899 2.645 1.00 . A A . 13 SER CB 1 1 3 999 1 1 13 SER H H -6.804 -8.483 1.703 1.00 . A A . 13 SER H 1 1 3 1000 1 1 13 SER HA H -9.134 -8.781 3.401 1.00 . A A . 13 SER HA 1 1 3 1001 1 1 13 SER HB2 H -8.289 -6.487 1.680 1.00 . A A . 13 SER HB2 1 1 3 1002 1 1 13 SER HB3 H -9.426 -6.426 3.028 1.00 . A A . 13 SER HB3 1 1 3 1003 1 1 13 SER HG H -6.666 -7.104 3.182 1.00 . A A . 13 SER HG 1 1 3 1004 1 1 13 SER N N -7.515 -9.005 2.146 1.00 . A A . 13 SER N 1 1 3 1005 1 1 13 SER O O -11.006 -8.668 1.608 1.00 . A A . 13 SER O 1 1 3 1006 1 1 13 SER OG O -7.450 -6.665 3.551 1.00 . A A . 13 SER OG 1 1 3 1007 1 1 14 GLY C C -10.704 -7.587 -1.421 1.00 . A A . 14 GLY C 1 1 3 1008 1 1 14 GLY CA C -10.175 -8.930 -0.992 1.00 . A A . 14 GLY CA 1 1 3 1009 1 1 14 GLY H H -8.341 -8.767 0.010 1.00 . A A . 14 GLY H 1 1 3 1010 1 1 14 GLY HA2 H -9.618 -9.380 -1.801 1.00 . A A . 14 GLY HA2 1 1 3 1011 1 1 14 GLY HA3 H -11.007 -9.565 -0.728 1.00 . A A . 14 GLY HA3 1 1 3 1012 1 1 14 GLY N N -9.314 -8.774 0.151 1.00 . A A . 14 GLY N 1 1 3 1013 1 1 14 GLY O O -11.798 -7.481 -1.984 1.00 . A A . 14 GLY O 1 1 3 1014 1 1 15 ALA C C -9.089 -4.308 -1.484 1.00 . A A . 15 ALA C 1 1 3 1015 1 1 15 ALA CA C -10.317 -5.192 -1.420 1.00 . A A . 15 ALA CA 1 1 3 1016 1 1 15 ALA CB C -11.272 -4.693 -0.348 1.00 . A A . 15 ALA CB 1 1 3 1017 1 1 15 ALA H H -9.035 -6.702 -0.761 1.00 . A A . 15 ALA H 1 1 3 1018 1 1 15 ALA HA H -10.825 -5.174 -2.372 1.00 . A A . 15 ALA HA 1 1 3 1019 1 1 15 ALA HB1 H -12.134 -5.345 -0.304 1.00 . A A . 15 ALA HB1 1 1 3 1020 1 1 15 ALA HB2 H -11.593 -3.694 -0.599 1.00 . A A . 15 ALA HB2 1 1 3 1021 1 1 15 ALA HB3 H -10.774 -4.687 0.609 1.00 . A A . 15 ALA HB3 1 1 3 1022 1 1 15 ALA N N -9.926 -6.553 -1.144 1.00 . A A . 15 ALA N 1 1 3 1023 1 1 15 ALA O O -8.024 -4.694 -1.010 1.00 . A A . 15 ALA O 1 1 3 1024 1 1 16 LYS C C -7.735 -1.572 -0.920 1.00 . A A . 16 LYS C 1 1 3 1025 1 1 16 LYS CA C -8.156 -2.197 -2.225 1.00 . A A . 16 LYS CA 1 1 3 1026 1 1 16 LYS CB C -8.540 -1.114 -3.221 1.00 . A A . 16 LYS CB 1 1 3 1027 1 1 16 LYS CD C -9.437 -0.669 -5.530 1.00 . A A . 16 LYS CD 1 1 3 1028 1 1 16 LYS CE C -8.879 0.741 -5.586 1.00 . A A . 16 LYS CE 1 1 3 1029 1 1 16 LYS CG C -8.587 -1.589 -4.662 1.00 . A A . 16 LYS CG 1 1 3 1030 1 1 16 LYS H H -10.122 -2.899 -2.415 1.00 . A A . 16 LYS H 1 1 3 1031 1 1 16 LYS HA H -7.302 -2.720 -2.623 1.00 . A A . 16 LYS HA 1 1 3 1032 1 1 16 LYS HB2 H -9.515 -0.730 -2.958 1.00 . A A . 16 LYS HB2 1 1 3 1033 1 1 16 LYS HB3 H -7.820 -0.313 -3.151 1.00 . A A . 16 LYS HB3 1 1 3 1034 1 1 16 LYS HD2 H -9.487 -1.068 -6.531 1.00 . A A . 16 LYS HD2 1 1 3 1035 1 1 16 LYS HD3 H -10.435 -0.635 -5.117 1.00 . A A . 16 LYS HD3 1 1 3 1036 1 1 16 LYS HE2 H -8.767 1.112 -4.578 1.00 . A A . 16 LYS HE2 1 1 3 1037 1 1 16 LYS HE3 H -7.912 0.717 -6.067 1.00 . A A . 16 LYS HE3 1 1 3 1038 1 1 16 LYS HG2 H -7.574 -1.578 -5.040 1.00 . A A . 16 LYS HG2 1 1 3 1039 1 1 16 LYS HG3 H -8.958 -2.599 -4.697 1.00 . A A . 16 LYS HG3 1 1 3 1040 1 1 16 LYS HZ1 H -10.696 1.699 -5.870 1.00 . A A . 16 LYS HZ1 1 1 3 1041 1 1 16 LYS HZ2 H -9.894 1.353 -7.316 1.00 . A A . 16 LYS HZ2 1 1 3 1042 1 1 16 LYS HZ3 H -9.367 2.614 -6.336 1.00 . A A . 16 LYS HZ3 1 1 3 1043 1 1 16 LYS N N -9.237 -3.147 -2.068 1.00 . A A . 16 LYS N 1 1 3 1044 1 1 16 LYS NZ N -9.764 1.652 -6.329 1.00 . A A . 16 LYS NZ 1 1 3 1045 1 1 16 LYS O O -8.554 -1.301 -0.038 1.00 . A A . 16 LYS O 1 1 3 1046 1 1 17 THR C C -4.974 0.344 -0.336 1.00 . A A . 17 THR C 1 1 3 1047 1 1 17 THR CA C -5.866 -0.712 0.282 1.00 . A A . 17 THR CA 1 1 3 1048 1 1 17 THR CB C -5.046 -1.698 1.186 1.00 . A A . 17 THR CB 1 1 3 1049 1 1 17 THR CG2 C -3.929 -2.399 0.413 1.00 . A A . 17 THR CG2 1 1 3 1050 1 1 17 THR H H -5.869 -1.719 -1.512 1.00 . A A . 17 THR H 1 1 3 1051 1 1 17 THR HA H -6.643 -0.235 0.861 1.00 . A A . 17 THR HA 1 1 3 1052 1 1 17 THR HB H -5.741 -2.437 1.547 1.00 . A A . 17 THR HB 1 1 3 1053 1 1 17 THR HG1 H -5.098 -0.325 2.592 1.00 . A A . 17 THR HG1 1 1 3 1054 1 1 17 THR HG21 H -3.415 -3.091 1.065 1.00 . A A . 17 THR HG21 1 1 3 1055 1 1 17 THR HG22 H -3.228 -1.659 0.054 1.00 . A A . 17 THR HG22 1 1 3 1056 1 1 17 THR HG23 H -4.350 -2.930 -0.428 1.00 . A A . 17 THR HG23 1 1 3 1057 1 1 17 THR N N -6.468 -1.388 -0.806 1.00 . A A . 17 THR N 1 1 3 1058 1 1 17 THR O O -4.420 0.129 -1.433 1.00 . A A . 17 THR O 1 1 3 1059 1 1 17 THR OG1 O -4.487 -1.025 2.329 1.00 . A A . 17 THR OG1 1 1 3 1060 1 1 18 CYS C C -3.250 3.137 0.832 1.00 . A A . 18 CYS C 1 1 3 1061 1 1 18 CYS CA C -4.081 2.534 -0.249 1.00 . A A . 18 CYS CA 1 1 3 1062 1 1 18 CYS CB C -4.940 3.629 -0.876 1.00 . A A . 18 CYS CB 1 1 3 1063 1 1 18 CYS H H -5.365 1.595 1.126 1.00 . A A . 18 CYS H 1 1 3 1064 1 1 18 CYS HA H -3.432 2.127 -1.011 1.00 . A A . 18 CYS HA 1 1 3 1065 1 1 18 CYS HB2 H -5.502 4.123 -0.101 1.00 . A A . 18 CYS HB2 1 1 3 1066 1 1 18 CYS HB3 H -4.276 4.359 -1.318 1.00 . A A . 18 CYS HB3 1 1 3 1067 1 1 18 CYS N N -4.886 1.469 0.281 1.00 . A A . 18 CYS N 1 1 3 1068 1 1 18 CYS O O -3.499 2.919 2.023 1.00 . A A . 18 CYS O 1 1 3 1069 1 1 18 CYS SG S -6.086 3.074 -2.171 1.00 . A A . 18 CYS SG 1 1 3 1070 1 1 19 VAL C C -1.120 5.982 0.707 1.00 . A A . 19 VAL C 1 1 3 1071 1 1 19 VAL CA C -1.423 4.594 1.311 1.00 . A A . 19 VAL CA 1 1 3 1072 1 1 19 VAL CB C -0.121 3.771 1.623 1.00 . A A . 19 VAL CB 1 1 3 1073 1 1 19 VAL CG1 C 0.622 3.335 0.356 1.00 . A A . 19 VAL CG1 1 1 3 1074 1 1 19 VAL CG2 C 0.800 4.522 2.575 1.00 . A A . 19 VAL CG2 1 1 3 1075 1 1 19 VAL H H -2.119 3.939 -0.537 1.00 . A A . 19 VAL H 1 1 3 1076 1 1 19 VAL HA H -1.978 4.736 2.227 1.00 . A A . 19 VAL HA 1 1 3 1077 1 1 19 VAL HB H -0.451 2.868 2.112 1.00 . A A . 19 VAL HB 1 1 3 1078 1 1 19 VAL HG11 H 0.937 4.209 -0.196 1.00 . A A . 19 VAL HG11 1 1 3 1079 1 1 19 VAL HG12 H -0.039 2.744 -0.260 1.00 . A A . 19 VAL HG12 1 1 3 1080 1 1 19 VAL HG13 H 1.484 2.744 0.625 1.00 . A A . 19 VAL HG13 1 1 3 1081 1 1 19 VAL HG21 H 0.287 4.699 3.508 1.00 . A A . 19 VAL HG21 1 1 3 1082 1 1 19 VAL HG22 H 1.079 5.467 2.133 1.00 . A A . 19 VAL HG22 1 1 3 1083 1 1 19 VAL HG23 H 1.686 3.932 2.757 1.00 . A A . 19 VAL HG23 1 1 3 1084 1 1 19 VAL N N -2.280 3.879 0.427 1.00 . A A . 19 VAL N 1 1 3 1085 1 1 19 VAL O O -0.360 6.089 -0.251 1.00 . A A . 19 VAL O 1 1 3 1086 1 1 20 PRO C C -4.115 6.353 1.863 1.00 . A A . 20 PRO C 1 1 3 1087 1 1 20 PRO CA C -2.796 7.009 2.277 1.00 . A A . 20 PRO CA 1 1 3 1088 1 1 20 PRO CB C -3.047 8.472 2.604 1.00 . A A . 20 PRO CB 1 1 3 1089 1 1 20 PRO CD C -1.560 8.448 0.747 1.00 . A A . 20 PRO CD 1 1 3 1090 1 1 20 PRO CG C -2.718 9.189 1.346 1.00 . A A . 20 PRO CG 1 1 3 1091 1 1 20 PRO HA H -2.420 6.510 3.157 1.00 . A A . 20 PRO HA 1 1 3 1092 1 1 20 PRO HB2 H -4.086 8.594 2.876 1.00 . A A . 20 PRO HB2 1 1 3 1093 1 1 20 PRO HB3 H -2.415 8.767 3.425 1.00 . A A . 20 PRO HB3 1 1 3 1094 1 1 20 PRO HD2 H -1.583 8.512 -0.331 1.00 . A A . 20 PRO HD2 1 1 3 1095 1 1 20 PRO HD3 H -0.625 8.832 1.129 1.00 . A A . 20 PRO HD3 1 1 3 1096 1 1 20 PRO HG2 H -3.570 9.154 0.684 1.00 . A A . 20 PRO HG2 1 1 3 1097 1 1 20 PRO HG3 H -2.457 10.216 1.544 1.00 . A A . 20 PRO HG3 1 1 3 1098 1 1 20 PRO N N -1.779 7.064 1.198 1.00 . A A . 20 PRO N 1 1 3 1099 1 1 20 PRO O O -4.528 6.393 0.681 1.00 . A A . 20 PRO O 1 1 3 1100 1 1 21 ASP C C -7.107 5.948 2.140 1.00 . A A . 21 ASP C 1 1 3 1101 1 1 21 ASP CA C -6.020 5.055 2.675 1.00 . A A . 21 ASP CA 1 1 3 1102 1 1 21 ASP CB C -6.467 4.429 3.994 1.00 . A A . 21 ASP CB 1 1 3 1103 1 1 21 ASP CG C -7.826 3.769 3.891 1.00 . A A . 21 ASP CG 1 1 3 1104 1 1 21 ASP H H -4.400 5.900 3.750 1.00 . A A . 21 ASP H 1 1 3 1105 1 1 21 ASP HA H -5.840 4.261 1.967 1.00 . A A . 21 ASP HA 1 1 3 1106 1 1 21 ASP HB2 H -5.746 3.691 4.308 1.00 . A A . 21 ASP HB2 1 1 3 1107 1 1 21 ASP HB3 H -6.527 5.209 4.738 1.00 . A A . 21 ASP HB3 1 1 3 1108 1 1 21 ASP N N -4.769 5.786 2.849 1.00 . A A . 21 ASP N 1 1 3 1109 1 1 21 ASP O O -7.329 7.042 2.667 1.00 . A A . 21 ASP O 1 1 3 1110 1 1 21 ASP OD1 O -8.793 4.288 4.473 1.00 . A A . 21 ASP OD1 1 1 3 1111 1 1 21 ASP OD2 O -7.942 2.724 3.210 1.00 . A A . 21 ASP OD2 1 1 3 1112 1 1 22 ASN C C -8.450 7.566 -0.046 1.00 . A A . 22 ASN C 1 1 3 1113 1 1 22 ASN CA C -8.829 6.182 0.423 1.00 . A A . 22 ASN CA 1 1 3 1114 1 1 22 ASN CB C -10.115 6.187 1.233 1.00 . A A . 22 ASN CB 1 1 3 1115 1 1 22 ASN CG C -10.852 4.867 1.154 1.00 . A A . 22 ASN CG 1 1 3 1116 1 1 22 ASN H H -7.562 4.581 0.760 1.00 . A A . 22 ASN H 1 1 3 1117 1 1 22 ASN HA H -9.018 5.600 -0.465 1.00 . A A . 22 ASN HA 1 1 3 1118 1 1 22 ASN HB2 H -9.886 6.404 2.265 1.00 . A A . 22 ASN HB2 1 1 3 1119 1 1 22 ASN HB3 H -10.744 6.960 0.828 1.00 . A A . 22 ASN HB3 1 1 3 1120 1 1 22 ASN HD21 H -11.557 5.152 2.954 1.00 . A A . 22 ASN HD21 1 1 3 1121 1 1 22 ASN HD22 H -12.047 3.683 2.184 1.00 . A A . 22 ASN HD22 1 1 3 1122 1 1 22 ASN N N -7.764 5.478 1.094 1.00 . A A . 22 ASN N 1 1 3 1123 1 1 22 ASN ND2 N -11.556 4.531 2.194 1.00 . A A . 22 ASN ND2 1 1 3 1124 1 1 22 ASN O O -9.262 8.494 0.005 1.00 . A A . 22 ASN O 1 1 3 1125 1 1 22 ASN OD1 O -10.787 4.158 0.145 1.00 . A A . 22 ASN OD1 1 1 3 1126 1 1 23 CYS C C -7.675 9.282 -2.336 1.00 . A A . 23 CYS C 1 1 3 1127 1 1 23 CYS CA C -6.765 8.952 -1.144 1.00 . A A . 23 CYS CA 1 1 3 1128 1 1 23 CYS CB C -5.322 8.789 -1.613 1.00 . A A . 23 CYS CB 1 1 3 1129 1 1 23 CYS H H -6.544 6.997 -0.396 1.00 . A A . 23 CYS H 1 1 3 1130 1 1 23 CYS HA H -6.830 9.749 -0.426 1.00 . A A . 23 CYS HA 1 1 3 1131 1 1 23 CYS HB2 H -4.931 9.719 -1.993 1.00 . A A . 23 CYS HB2 1 1 3 1132 1 1 23 CYS HB3 H -4.728 8.479 -0.767 1.00 . A A . 23 CYS HB3 1 1 3 1133 1 1 23 CYS N N -7.210 7.711 -0.519 1.00 . A A . 23 CYS N 1 1 3 1134 1 1 23 CYS O O -7.995 10.439 -2.615 1.00 . A A . 23 CYS O 1 1 3 1135 1 1 23 CYS SG S -5.106 7.515 -2.906 1.00 . A A . 23 CYS SG 1 1 3 1136 1 1 24 ASP C C -10.347 7.877 -3.651 1.00 . A A . 24 ASP C 1 1 3 1137 1 1 24 ASP CA C -8.967 8.284 -4.123 1.00 . A A . 24 ASP CA 1 1 3 1138 1 1 24 ASP CB C -8.456 7.351 -5.244 1.00 . A A . 24 ASP CB 1 1 3 1139 1 1 24 ASP CG C -9.319 7.334 -6.487 1.00 . A A . 24 ASP CG 1 1 3 1140 1 1 24 ASP H H -7.808 7.373 -2.641 1.00 . A A . 24 ASP H 1 1 3 1141 1 1 24 ASP HA H -8.999 9.300 -4.486 1.00 . A A . 24 ASP HA 1 1 3 1142 1 1 24 ASP HB2 H -7.467 7.670 -5.539 1.00 . A A . 24 ASP HB2 1 1 3 1143 1 1 24 ASP HB3 H -8.390 6.344 -4.862 1.00 . A A . 24 ASP HB3 1 1 3 1144 1 1 24 ASP N N -8.087 8.240 -2.996 1.00 . A A . 24 ASP N 1 1 3 1145 1 1 24 ASP O O -10.702 6.700 -3.666 1.00 . A A . 24 ASP O 1 1 3 1146 1 1 24 ASP OD1 O -9.115 8.189 -7.366 1.00 . A A . 24 ASP OD1 1 1 3 1147 1 1 24 ASP OD2 O -10.176 6.418 -6.641 1.00 . A A . 24 ASP OD2 1 1 3 1148 1 1 25 ALA C C -13.436 9.319 -3.414 1.00 . A A . 25 ALA C 1 1 3 1149 1 1 25 ALA CA C -12.404 8.530 -2.629 1.00 . A A . 25 ALA CA 1 1 3 1150 1 1 25 ALA CB C -12.529 8.789 -1.137 1.00 . A A . 25 ALA CB 1 1 3 1151 1 1 25 ALA H H -10.622 9.671 -2.974 1.00 . A A . 25 ALA H 1 1 3 1152 1 1 25 ALA HA H -12.587 7.482 -2.809 1.00 . A A . 25 ALA HA 1 1 3 1153 1 1 25 ALA HB1 H -13.504 8.473 -0.797 1.00 . A A . 25 ALA HB1 1 1 3 1154 1 1 25 ALA HB2 H -12.409 9.843 -0.943 1.00 . A A . 25 ALA HB2 1 1 3 1155 1 1 25 ALA HB3 H -11.765 8.236 -0.610 1.00 . A A . 25 ALA HB3 1 1 3 1156 1 1 25 ALA N N -11.054 8.800 -3.100 1.00 . A A . 25 ALA N 1 1 3 1157 1 1 25 ALA O O -14.639 9.129 -3.246 1.00 . A A . 25 ALA O 1 1 3 1158 1 1 26 SER C C -13.282 10.991 -6.510 1.00 . A A . 26 SER C 1 1 3 1159 1 1 26 SER CA C -13.835 10.982 -5.097 1.00 . A A . 26 SER CA 1 1 3 1160 1 1 26 SER CB C -13.959 12.403 -4.546 1.00 . A A . 26 SER CB 1 1 3 1161 1 1 26 SER H H -12.005 10.327 -4.355 1.00 . A A . 26 SER H 1 1 3 1162 1 1 26 SER HA H -14.808 10.515 -5.101 1.00 . A A . 26 SER HA 1 1 3 1163 1 1 26 SER HB2 H -12.988 12.875 -4.543 1.00 . A A . 26 SER HB2 1 1 3 1164 1 1 26 SER HB3 H -14.636 12.970 -5.168 1.00 . A A . 26 SER HB3 1 1 3 1165 1 1 26 SER HG H -13.748 12.084 -2.647 1.00 . A A . 26 SER HG 1 1 3 1166 1 1 26 SER N N -12.972 10.196 -4.260 1.00 . A A . 26 SER N 1 1 3 1167 1 1 26 SER O O -12.064 11.024 -6.705 1.00 . A A . 26 SER O 1 1 3 1168 1 1 26 SER OG O -14.471 12.386 -3.214 1.00 . A A . 26 SER OG 1 1 3 1169 1 1 27 ARG C C -13.706 12.310 -9.390 1.00 . A A . 27 ARG C 1 1 3 1170 1 1 27 ARG CA C -13.741 10.902 -8.855 1.00 . A A . 27 ARG CA 1 1 3 1171 1 1 27 ARG CB C -14.677 10.027 -9.697 1.00 . A A . 27 ARG CB 1 1 3 1172 1 1 27 ARG CD C -12.836 9.273 -11.245 1.00 . A A . 27 ARG CD 1 1 3 1173 1 1 27 ARG CG C -14.245 9.848 -11.154 1.00 . A A . 27 ARG CG 1 1 3 1174 1 1 27 ARG CZ C -11.762 7.837 -9.522 1.00 . A A . 27 ARG CZ 1 1 3 1175 1 1 27 ARG H H -15.114 10.878 -7.274 1.00 . A A . 27 ARG H 1 1 3 1176 1 1 27 ARG HA H -12.746 10.485 -8.891 1.00 . A A . 27 ARG HA 1 1 3 1177 1 1 27 ARG HB2 H -14.739 9.048 -9.244 1.00 . A A . 27 ARG HB2 1 1 3 1178 1 1 27 ARG HB3 H -15.657 10.479 -9.689 1.00 . A A . 27 ARG HB3 1 1 3 1179 1 1 27 ARG HD2 H -12.624 9.040 -12.279 1.00 . A A . 27 ARG HD2 1 1 3 1180 1 1 27 ARG HD3 H -12.130 10.009 -10.890 1.00 . A A . 27 ARG HD3 1 1 3 1181 1 1 27 ARG HE H -13.403 7.378 -10.612 1.00 . A A . 27 ARG HE 1 1 3 1182 1 1 27 ARG HG2 H -14.934 9.182 -11.652 1.00 . A A . 27 ARG HG2 1 1 3 1183 1 1 27 ARG HG3 H -14.262 10.816 -11.630 1.00 . A A . 27 ARG HG3 1 1 3 1184 1 1 27 ARG HH11 H -10.690 9.568 -9.853 1.00 . A A . 27 ARG HH11 1 1 3 1185 1 1 27 ARG HH12 H -10.093 8.559 -8.615 1.00 . A A . 27 ARG HH12 1 1 3 1186 1 1 27 ARG HH21 H -12.510 6.043 -8.903 1.00 . A A . 27 ARG HH21 1 1 3 1187 1 1 27 ARG HH22 H -11.102 6.572 -8.073 1.00 . A A . 27 ARG HH22 1 1 3 1188 1 1 27 ARG N N -14.156 10.918 -7.483 1.00 . A A . 27 ARG N 1 1 3 1189 1 1 27 ARG NE N -12.705 8.054 -10.448 1.00 . A A . 27 ARG NE 1 1 3 1190 1 1 27 ARG NH1 N -10.790 8.716 -9.334 1.00 . A A . 27 ARG NH1 1 1 3 1191 1 1 27 ARG NH2 N -11.794 6.739 -8.790 1.00 . A A . 27 ARG NH2 1 1 3 1192 1 1 27 ARG O O -14.758 12.956 -9.536 1.00 . A A . 27 ARG O 1 1 3 1193 1 1 28 GLY C C -12.940 14.240 -11.521 1.00 . A A . 28 GLY C 1 1 3 1194 1 1 28 GLY CA C -12.315 14.110 -10.166 1.00 . A A . 28 GLY CA 1 1 3 1195 1 1 28 GLY H H -11.732 12.239 -9.412 1.00 . A A . 28 GLY H 1 1 3 1196 1 1 28 GLY HA2 H -12.756 14.833 -9.499 1.00 . A A . 28 GLY HA2 1 1 3 1197 1 1 28 GLY HA3 H -11.256 14.297 -10.250 1.00 . A A . 28 GLY HA3 1 1 3 1198 1 1 28 GLY N N -12.513 12.794 -9.624 1.00 . A A . 28 GLY N 1 1 3 1199 1 1 28 GLY O O -12.818 13.335 -12.366 1.00 . A A . 28 GLY O 1 1 3 1200 1 1 29 THR C C -13.338 15.864 -14.096 1.00 . A A . 29 THR C 1 1 3 1201 1 1 29 THR CA C -14.322 15.542 -12.963 1.00 . A A . 29 THR CA 1 1 3 1202 1 1 29 THR CB C -15.340 16.670 -12.777 1.00 . A A . 29 THR CB 1 1 3 1203 1 1 29 THR CG2 C -16.286 16.731 -13.955 1.00 . A A . 29 THR CG2 1 1 3 1204 1 1 29 THR H H -13.672 16.009 -11.035 1.00 . A A . 29 THR H 1 1 3 1205 1 1 29 THR HA H -14.854 14.635 -13.212 1.00 . A A . 29 THR HA 1 1 3 1206 1 1 29 THR HB H -14.825 17.614 -12.671 1.00 . A A . 29 THR HB 1 1 3 1207 1 1 29 THR HG1 H -16.288 15.440 -11.601 1.00 . A A . 29 THR HG1 1 1 3 1208 1 1 29 THR HG21 H -15.717 16.875 -14.862 1.00 . A A . 29 THR HG21 1 1 3 1209 1 1 29 THR HG22 H -16.963 17.560 -13.822 1.00 . A A . 29 THR HG22 1 1 3 1210 1 1 29 THR HG23 H -16.845 15.811 -14.020 1.00 . A A . 29 THR HG23 1 1 3 1211 1 1 29 THR N N -13.624 15.319 -11.733 1.00 . A A . 29 THR N 1 1 3 1212 1 1 29 THR O O -13.589 15.561 -15.263 1.00 . A A . 29 THR O 1 1 3 1213 1 1 29 THR OG1 O -16.105 16.389 -11.592 1.00 . A A . 29 THR OG1 1 1 3 1214 1 1 30 ASN C C -10.098 15.712 -14.653 1.00 . A A . 30 ASN C 1 1 3 1215 1 1 30 ASN CA C -11.196 16.753 -14.723 1.00 . A A . 30 ASN CA 1 1 3 1216 1 1 30 ASN CB C -10.606 18.154 -14.508 1.00 . A A . 30 ASN CB 1 1 3 1217 1 1 30 ASN CG C -11.607 19.269 -14.744 1.00 . A A . 30 ASN CG 1 1 3 1218 1 1 30 ASN H H -12.063 16.678 -12.805 1.00 . A A . 30 ASN H 1 1 3 1219 1 1 30 ASN HA H -11.664 16.718 -15.696 1.00 . A A . 30 ASN HA 1 1 3 1220 1 1 30 ASN HB2 H -10.244 18.231 -13.494 1.00 . A A . 30 ASN HB2 1 1 3 1221 1 1 30 ASN HB3 H -9.776 18.288 -15.187 1.00 . A A . 30 ASN HB3 1 1 3 1222 1 1 30 ASN HD21 H -10.634 20.443 -13.500 1.00 . A A . 30 ASN HD21 1 1 3 1223 1 1 30 ASN HD22 H -12.035 21.132 -14.236 1.00 . A A . 30 ASN HD22 1 1 3 1224 1 1 30 ASN N N -12.219 16.447 -13.747 1.00 . A A . 30 ASN N 1 1 3 1225 1 1 30 ASN ND2 N -11.412 20.386 -14.098 1.00 . A A . 30 ASN ND2 1 1 3 1226 1 1 30 ASN O O -9.390 15.631 -13.649 1.00 . A A . 30 ASN O 1 1 3 1227 1 1 30 ASN OD1 O -12.550 19.132 -15.531 1.00 . A A . 30 ASN OD1 1 1 3 1228 1 1 31 PRO C C -7.636 14.406 -16.294 1.00 . A A . 31 PRO C 1 1 3 1229 1 1 31 PRO CA C -8.932 13.848 -15.709 1.00 . A A . 31 PRO CA 1 1 3 1230 1 1 31 PRO CB C -9.514 12.748 -16.617 1.00 . A A . 31 PRO CB 1 1 3 1231 1 1 31 PRO CD C -10.813 14.771 -16.861 1.00 . A A . 31 PRO CD 1 1 3 1232 1 1 31 PRO CG C -10.789 13.304 -17.180 1.00 . A A . 31 PRO CG 1 1 3 1233 1 1 31 PRO HA H -8.743 13.444 -14.726 1.00 . A A . 31 PRO HA 1 1 3 1234 1 1 31 PRO HB2 H -8.805 12.523 -17.400 1.00 . A A . 31 PRO HB2 1 1 3 1235 1 1 31 PRO HB3 H -9.697 11.859 -16.033 1.00 . A A . 31 PRO HB3 1 1 3 1236 1 1 31 PRO HD2 H -10.404 15.346 -17.677 1.00 . A A . 31 PRO HD2 1 1 3 1237 1 1 31 PRO HD3 H -11.829 15.068 -16.644 1.00 . A A . 31 PRO HD3 1 1 3 1238 1 1 31 PRO HG2 H -10.802 13.163 -18.250 1.00 . A A . 31 PRO HG2 1 1 3 1239 1 1 31 PRO HG3 H -11.635 12.807 -16.729 1.00 . A A . 31 PRO HG3 1 1 3 1240 1 1 31 PRO N N -9.968 14.852 -15.671 1.00 . A A . 31 PRO N 1 1 3 1241 1 1 31 PRO O O -6.822 14.980 -15.536 1.00 . A A . 31 PRO O 1 1 3 1242 1 1 31 PRO OXT O -7.405 14.266 -17.515 1.00 . A A . 31 PRO OXT 1 1 4 1243 1 1 1 ASP C C 6.078 8.680 5.509 1.00 . A A . 1 ASP C 1 1 4 1244 1 1 1 ASP CA C 7.007 8.062 6.504 1.00 . A A . 1 ASP CA 1 1 4 1245 1 1 1 ASP CB C 7.359 6.638 6.052 1.00 . A A . 1 ASP CB 1 1 4 1246 1 1 1 ASP CG C 8.354 5.958 6.953 1.00 . A A . 1 ASP CG 1 1 4 1247 1 1 1 ASP H1 H 6.202 9.047 8.109 1.00 . A A . 1 ASP H1 1 1 4 1248 1 1 1 ASP H2 H 6.939 7.579 8.526 1.00 . A A . 1 ASP H2 1 1 4 1249 1 1 1 ASP H3 H 5.429 7.606 7.735 1.00 . A A . 1 ASP H3 1 1 4 1250 1 1 1 ASP HA H 7.908 8.653 6.569 1.00 . A A . 1 ASP HA 1 1 4 1251 1 1 1 ASP HB2 H 6.459 6.041 6.037 1.00 . A A . 1 ASP HB2 1 1 4 1252 1 1 1 ASP HB3 H 7.769 6.679 5.054 1.00 . A A . 1 ASP HB3 1 1 4 1253 1 1 1 ASP N N 6.359 8.063 7.811 1.00 . A A . 1 ASP N 1 1 4 1254 1 1 1 ASP O O 4.877 8.804 5.774 1.00 . A A . 1 ASP O 1 1 4 1255 1 1 1 ASP OD1 O 9.559 5.881 6.602 1.00 . A A . 1 ASP OD1 1 1 4 1256 1 1 1 ASP OD2 O 7.955 5.462 8.014 1.00 . A A . 1 ASP OD2 1 1 4 1257 1 1 2 VAL C C 5.183 8.534 2.492 1.00 . A A . 2 VAL C 1 1 4 1258 1 1 2 VAL CA C 5.777 9.642 3.337 1.00 . A A . 2 VAL CA 1 1 4 1259 1 1 2 VAL CB C 6.530 10.653 2.444 1.00 . A A . 2 VAL CB 1 1 4 1260 1 1 2 VAL CG1 C 6.944 11.861 3.256 1.00 . A A . 2 VAL CG1 1 1 4 1261 1 1 2 VAL CG2 C 7.737 10.012 1.767 1.00 . A A . 2 VAL CG2 1 1 4 1262 1 1 2 VAL H H 7.573 9.029 4.243 1.00 . A A . 2 VAL H 1 1 4 1263 1 1 2 VAL HA H 4.968 10.157 3.833 1.00 . A A . 2 VAL HA 1 1 4 1264 1 1 2 VAL HB H 5.846 10.990 1.680 1.00 . A A . 2 VAL HB 1 1 4 1265 1 1 2 VAL HG11 H 7.479 12.556 2.626 1.00 . A A . 2 VAL HG11 1 1 4 1266 1 1 2 VAL HG12 H 7.576 11.547 4.073 1.00 . A A . 2 VAL HG12 1 1 4 1267 1 1 2 VAL HG13 H 6.063 12.344 3.651 1.00 . A A . 2 VAL HG13 1 1 4 1268 1 1 2 VAL HG21 H 8.430 9.659 2.515 1.00 . A A . 2 VAL HG21 1 1 4 1269 1 1 2 VAL HG22 H 8.227 10.735 1.133 1.00 . A A . 2 VAL HG22 1 1 4 1270 1 1 2 VAL HG23 H 7.405 9.178 1.166 1.00 . A A . 2 VAL HG23 1 1 4 1271 1 1 2 VAL N N 6.603 9.090 4.383 1.00 . A A . 2 VAL N 1 1 4 1272 1 1 2 VAL O O 5.813 7.489 2.287 1.00 . A A . 2 VAL O 1 1 4 1273 1 1 3 SER C C 2.554 8.425 0.094 1.00 . A A . 3 SER C 1 1 4 1274 1 1 3 SER CA C 3.310 7.769 1.238 1.00 . A A . 3 SER CA 1 1 4 1275 1 1 3 SER CB C 2.360 6.940 2.105 1.00 . A A . 3 SER CB 1 1 4 1276 1 1 3 SER H H 3.517 9.575 2.229 1.00 . A A . 3 SER H 1 1 4 1277 1 1 3 SER HA H 4.056 7.106 0.829 1.00 . A A . 3 SER HA 1 1 4 1278 1 1 3 SER HB2 H 1.656 7.597 2.595 1.00 . A A . 3 SER HB2 1 1 4 1279 1 1 3 SER HB3 H 1.829 6.242 1.475 1.00 . A A . 3 SER HB3 1 1 4 1280 1 1 3 SER HG H 3.824 5.814 2.614 1.00 . A A . 3 SER HG 1 1 4 1281 1 1 3 SER N N 3.990 8.737 2.035 1.00 . A A . 3 SER N 1 1 4 1282 1 1 3 SER O O 1.542 9.099 0.315 1.00 . A A . 3 SER O 1 1 4 1283 1 1 3 SER OG O 3.085 6.215 3.093 1.00 . A A . 3 SER OG 1 1 4 1284 1 1 4 PRO C C 1.130 7.876 -2.493 1.00 . A A . 4 PRO C 1 1 4 1285 1 1 4 PRO CA C 2.370 8.733 -2.337 1.00 . A A . 4 PRO CA 1 1 4 1286 1 1 4 PRO CB C 3.354 8.408 -3.471 1.00 . A A . 4 PRO CB 1 1 4 1287 1 1 4 PRO CD C 4.414 7.766 -1.450 1.00 . A A . 4 PRO CD 1 1 4 1288 1 1 4 PRO CG C 4.679 8.329 -2.808 1.00 . A A . 4 PRO CG 1 1 4 1289 1 1 4 PRO HA H 2.115 9.782 -2.328 1.00 . A A . 4 PRO HA 1 1 4 1290 1 1 4 PRO HB2 H 3.079 7.460 -3.910 1.00 . A A . 4 PRO HB2 1 1 4 1291 1 1 4 PRO HB3 H 3.327 9.174 -4.231 1.00 . A A . 4 PRO HB3 1 1 4 1292 1 1 4 PRO HD2 H 4.402 6.685 -1.482 1.00 . A A . 4 PRO HD2 1 1 4 1293 1 1 4 PRO HD3 H 5.149 8.121 -0.742 1.00 . A A . 4 PRO HD3 1 1 4 1294 1 1 4 PRO HG2 H 5.335 7.678 -3.367 1.00 . A A . 4 PRO HG2 1 1 4 1295 1 1 4 PRO HG3 H 5.107 9.317 -2.726 1.00 . A A . 4 PRO HG3 1 1 4 1296 1 1 4 PRO N N 3.080 8.303 -1.135 1.00 . A A . 4 PRO N 1 1 4 1297 1 1 4 PRO O O 1.166 6.693 -2.139 1.00 . A A . 4 PRO O 1 1 4 1298 1 1 5 CYS C C -1.006 6.536 -4.059 1.00 . A A . 5 CYS C 1 1 4 1299 1 1 5 CYS CA C -1.194 7.724 -3.148 1.00 . A A . 5 CYS CA 1 1 4 1300 1 1 5 CYS CB C -2.281 8.605 -3.728 1.00 . A A . 5 CYS CB 1 1 4 1301 1 1 5 CYS H H 0.100 9.385 -3.285 1.00 . A A . 5 CYS H 1 1 4 1302 1 1 5 CYS HA H -1.506 7.379 -2.174 1.00 . A A . 5 CYS HA 1 1 4 1303 1 1 5 CYS HB2 H -2.367 9.527 -3.171 1.00 . A A . 5 CYS HB2 1 1 4 1304 1 1 5 CYS HB3 H -1.989 8.806 -4.750 1.00 . A A . 5 CYS HB3 1 1 4 1305 1 1 5 CYS N N 0.055 8.449 -2.996 1.00 . A A . 5 CYS N 1 1 4 1306 1 1 5 CYS O O -0.747 6.690 -5.265 1.00 . A A . 5 CYS O 1 1 4 1307 1 1 5 CYS SG S -3.913 7.786 -3.784 1.00 . A A . 5 CYS SG 1 1 4 1308 1 1 6 PHE C C -1.975 3.200 -3.802 1.00 . A A . 6 PHE C 1 1 4 1309 1 1 6 PHE CA C -0.934 4.189 -4.267 1.00 . A A . 6 PHE CA 1 1 4 1310 1 1 6 PHE CB C 0.470 3.612 -4.133 1.00 . A A . 6 PHE CB 1 1 4 1311 1 1 6 PHE CD1 C 1.103 3.130 -6.473 1.00 . A A . 6 PHE CD1 1 1 4 1312 1 1 6 PHE CD2 C 0.778 1.288 -5.002 1.00 . A A . 6 PHE CD2 1 1 4 1313 1 1 6 PHE CE1 C 1.393 2.280 -7.498 1.00 . A A . 6 PHE CE1 1 1 4 1314 1 1 6 PHE CE2 C 1.071 0.418 -6.027 1.00 . A A . 6 PHE CE2 1 1 4 1315 1 1 6 PHE CG C 0.793 2.652 -5.218 1.00 . A A . 6 PHE CG 1 1 4 1316 1 1 6 PHE CZ C 1.380 0.913 -7.284 1.00 . A A . 6 PHE CZ 1 1 4 1317 1 1 6 PHE H H -1.171 5.307 -2.522 1.00 . A A . 6 PHE H 1 1 4 1318 1 1 6 PHE HA H -1.117 4.439 -5.301 1.00 . A A . 6 PHE HA 1 1 4 1319 1 1 6 PHE HB2 H 1.190 4.417 -4.168 1.00 . A A . 6 PHE HB2 1 1 4 1320 1 1 6 PHE HB3 H 0.555 3.096 -3.188 1.00 . A A . 6 PHE HB3 1 1 4 1321 1 1 6 PHE HD1 H 1.115 4.196 -6.640 1.00 . A A . 6 PHE HD1 1 1 4 1322 1 1 6 PHE HD2 H 0.537 0.906 -4.021 1.00 . A A . 6 PHE HD2 1 1 4 1323 1 1 6 PHE HE1 H 1.628 2.707 -8.461 1.00 . A A . 6 PHE HE1 1 1 4 1324 1 1 6 PHE HE2 H 1.053 -0.645 -5.840 1.00 . A A . 6 PHE HE2 1 1 4 1325 1 1 6 PHE HZ H 1.609 0.235 -8.093 1.00 . A A . 6 PHE HZ 1 1 4 1326 1 1 6 PHE N N -1.055 5.371 -3.497 1.00 . A A . 6 PHE N 1 1 4 1327 1 1 6 PHE O O -2.246 3.114 -2.606 1.00 . A A . 6 PHE O 1 1 4 1328 1 1 7 CYS C C -3.165 0.156 -4.951 1.00 . A A . 7 CYS C 1 1 4 1329 1 1 7 CYS CA C -3.572 1.506 -4.391 1.00 . A A . 7 CYS CA 1 1 4 1330 1 1 7 CYS CB C -4.929 1.926 -4.949 1.00 . A A . 7 CYS CB 1 1 4 1331 1 1 7 CYS H H -2.332 2.608 -5.667 1.00 . A A . 7 CYS H 1 1 4 1332 1 1 7 CYS HA H -3.635 1.431 -3.317 1.00 . A A . 7 CYS HA 1 1 4 1333 1 1 7 CYS HB2 H -4.894 1.873 -6.025 1.00 . A A . 7 CYS HB2 1 1 4 1334 1 1 7 CYS HB3 H -5.678 1.237 -4.590 1.00 . A A . 7 CYS HB3 1 1 4 1335 1 1 7 CYS N N -2.566 2.487 -4.721 1.00 . A A . 7 CYS N 1 1 4 1336 1 1 7 CYS O O -2.492 0.082 -5.995 1.00 . A A . 7 CYS O 1 1 4 1337 1 1 7 CYS SG S -5.448 3.617 -4.472 1.00 . A A . 7 CYS SG 1 1 4 1338 1 1 8 VAL C C -4.292 -3.149 -4.193 1.00 . A A . 8 VAL C 1 1 4 1339 1 1 8 VAL CA C -3.193 -2.236 -4.645 1.00 . A A . 8 VAL CA 1 1 4 1340 1 1 8 VAL CB C -1.817 -2.680 -4.064 1.00 . A A . 8 VAL CB 1 1 4 1341 1 1 8 VAL CG1 C -1.781 -2.604 -2.542 1.00 . A A . 8 VAL CG1 1 1 4 1342 1 1 8 VAL CG2 C -1.380 -4.061 -4.557 1.00 . A A . 8 VAL CG2 1 1 4 1343 1 1 8 VAL H H -4.087 -0.789 -3.455 1.00 . A A . 8 VAL H 1 1 4 1344 1 1 8 VAL HA H -3.145 -2.263 -5.723 1.00 . A A . 8 VAL HA 1 1 4 1345 1 1 8 VAL HB H -1.140 -1.953 -4.473 1.00 . A A . 8 VAL HB 1 1 4 1346 1 1 8 VAL HG11 H -2.534 -3.260 -2.131 1.00 . A A . 8 VAL HG11 1 1 4 1347 1 1 8 VAL HG12 H -1.978 -1.590 -2.228 1.00 . A A . 8 VAL HG12 1 1 4 1348 1 1 8 VAL HG13 H -0.806 -2.907 -2.191 1.00 . A A . 8 VAL HG13 1 1 4 1349 1 1 8 VAL HG21 H -2.114 -4.796 -4.263 1.00 . A A . 8 VAL HG21 1 1 4 1350 1 1 8 VAL HG22 H -0.424 -4.312 -4.122 1.00 . A A . 8 VAL HG22 1 1 4 1351 1 1 8 VAL HG23 H -1.292 -4.049 -5.633 1.00 . A A . 8 VAL HG23 1 1 4 1352 1 1 8 VAL N N -3.525 -0.892 -4.257 1.00 . A A . 8 VAL N 1 1 4 1353 1 1 8 VAL O O -5.013 -2.833 -3.236 1.00 . A A . 8 VAL O 1 1 4 1354 1 1 9 GLU C C -4.886 -6.122 -3.462 1.00 . A A . 9 GLU C 1 1 4 1355 1 1 9 GLU CA C -5.443 -5.190 -4.516 1.00 . A A . 9 GLU CA 1 1 4 1356 1 1 9 GLU CB C -5.947 -5.939 -5.746 1.00 . A A . 9 GLU CB 1 1 4 1357 1 1 9 GLU CD C -7.785 -7.325 -6.733 1.00 . A A . 9 GLU CD 1 1 4 1358 1 1 9 GLU CG C -7.183 -6.767 -5.478 1.00 . A A . 9 GLU CG 1 1 4 1359 1 1 9 GLU H H -3.794 -4.381 -5.590 1.00 . A A . 9 GLU H 1 1 4 1360 1 1 9 GLU HA H -6.260 -4.648 -4.066 1.00 . A A . 9 GLU HA 1 1 4 1361 1 1 9 GLU HB2 H -6.178 -5.222 -6.521 1.00 . A A . 9 GLU HB2 1 1 4 1362 1 1 9 GLU HB3 H -5.166 -6.597 -6.098 1.00 . A A . 9 GLU HB3 1 1 4 1363 1 1 9 GLU HG2 H -6.908 -7.586 -4.831 1.00 . A A . 9 GLU HG2 1 1 4 1364 1 1 9 GLU HG3 H -7.917 -6.148 -4.981 1.00 . A A . 9 GLU HG3 1 1 4 1365 1 1 9 GLU N N -4.438 -4.234 -4.861 1.00 . A A . 9 GLU N 1 1 4 1366 1 1 9 GLU O O -4.019 -6.957 -3.734 1.00 . A A . 9 GLU O 1 1 4 1367 1 1 9 GLU OE1 O -8.379 -6.542 -7.509 1.00 . A A . 9 GLU OE1 1 1 4 1368 1 1 9 GLU OE2 O -7.707 -8.556 -6.960 1.00 . A A . 9 GLU OE2 1 1 4 1369 1 1 10 ASP C C -5.666 -7.915 -0.966 1.00 . A A . 10 ASP C 1 1 4 1370 1 1 10 ASP CA C -4.870 -6.668 -1.135 1.00 . A A . 10 ASP CA 1 1 4 1371 1 1 10 ASP CB C -4.962 -5.821 0.124 1.00 . A A . 10 ASP CB 1 1 4 1372 1 1 10 ASP CG C -4.434 -6.549 1.313 1.00 . A A . 10 ASP CG 1 1 4 1373 1 1 10 ASP H H -6.077 -5.300 -2.115 1.00 . A A . 10 ASP H 1 1 4 1374 1 1 10 ASP HA H -3.839 -6.952 -1.281 1.00 . A A . 10 ASP HA 1 1 4 1375 1 1 10 ASP HB2 H -4.393 -4.913 -0.002 1.00 . A A . 10 ASP HB2 1 1 4 1376 1 1 10 ASP HB3 H -5.996 -5.572 0.307 1.00 . A A . 10 ASP HB3 1 1 4 1377 1 1 10 ASP N N -5.346 -5.937 -2.264 1.00 . A A . 10 ASP N 1 1 4 1378 1 1 10 ASP O O -6.881 -7.860 -0.814 1.00 . A A . 10 ASP O 1 1 4 1379 1 1 10 ASP OD1 O -3.206 -6.559 1.515 1.00 . A A . 10 ASP OD1 1 1 4 1380 1 1 10 ASP OD2 O -5.230 -7.140 2.061 1.00 . A A . 10 ASP OD2 1 1 4 1381 1 1 11 GLU C C -6.116 -10.637 0.522 1.00 . A A . 11 GLU C 1 1 4 1382 1 1 11 GLU CA C -5.582 -10.345 -0.865 1.00 . A A . 11 GLU CA 1 1 4 1383 1 1 11 GLU CB C -4.602 -11.431 -1.282 1.00 . A A . 11 GLU CB 1 1 4 1384 1 1 11 GLU CD C -5.626 -11.689 -3.518 1.00 . A A . 11 GLU CD 1 1 4 1385 1 1 11 GLU CG C -4.350 -11.482 -2.763 1.00 . A A . 11 GLU CG 1 1 4 1386 1 1 11 GLU H H -4.013 -8.952 -1.127 1.00 . A A . 11 GLU H 1 1 4 1387 1 1 11 GLU HA H -6.414 -10.377 -1.554 1.00 . A A . 11 GLU HA 1 1 4 1388 1 1 11 GLU HB2 H -3.661 -11.253 -0.784 1.00 . A A . 11 GLU HB2 1 1 4 1389 1 1 11 GLU HB3 H -4.987 -12.390 -0.967 1.00 . A A . 11 GLU HB3 1 1 4 1390 1 1 11 GLU HG2 H -3.909 -10.548 -3.076 1.00 . A A . 11 GLU HG2 1 1 4 1391 1 1 11 GLU HG3 H -3.679 -12.298 -2.987 1.00 . A A . 11 GLU HG3 1 1 4 1392 1 1 11 GLU N N -4.982 -9.026 -0.993 1.00 . A A . 11 GLU N 1 1 4 1393 1 1 11 GLU O O -6.949 -11.525 0.687 1.00 . A A . 11 GLU O 1 1 4 1394 1 1 11 GLU OE1 O -6.048 -10.777 -4.235 1.00 . A A . 11 GLU OE1 1 1 4 1395 1 1 11 GLU OE2 O -6.259 -12.765 -3.369 1.00 . A A . 11 GLU OE2 1 1 4 1396 1 1 12 THR C C -7.569 -9.550 2.962 1.00 . A A . 12 THR C 1 1 4 1397 1 1 12 THR CA C -6.154 -10.132 2.845 1.00 . A A . 12 THR CA 1 1 4 1398 1 1 12 THR CB C -5.205 -9.535 3.919 1.00 . A A . 12 THR CB 1 1 4 1399 1 1 12 THR CG2 C -5.692 -9.845 5.322 1.00 . A A . 12 THR CG2 1 1 4 1400 1 1 12 THR H H -5.043 -9.163 1.335 1.00 . A A . 12 THR H 1 1 4 1401 1 1 12 THR HA H -6.219 -11.203 2.977 1.00 . A A . 12 THR HA 1 1 4 1402 1 1 12 THR HB H -5.158 -8.466 3.781 1.00 . A A . 12 THR HB 1 1 4 1403 1 1 12 THR HG1 H -3.501 -9.686 2.965 1.00 . A A . 12 THR HG1 1 1 4 1404 1 1 12 THR HG21 H -5.720 -10.915 5.464 1.00 . A A . 12 THR HG21 1 1 4 1405 1 1 12 THR HG22 H -6.683 -9.439 5.455 1.00 . A A . 12 THR HG22 1 1 4 1406 1 1 12 THR HG23 H -5.021 -9.403 6.044 1.00 . A A . 12 THR HG23 1 1 4 1407 1 1 12 THR N N -5.668 -9.902 1.510 1.00 . A A . 12 THR N 1 1 4 1408 1 1 12 THR O O -8.500 -10.233 3.386 1.00 . A A . 12 THR O 1 1 4 1409 1 1 12 THR OG1 O -3.885 -10.086 3.756 1.00 . A A . 12 THR OG1 1 1 4 1410 1 1 13 SER C C -9.878 -8.025 1.298 1.00 . A A . 13 SER C 1 1 4 1411 1 1 13 SER CA C -9.038 -7.688 2.547 1.00 . A A . 13 SER CA 1 1 4 1412 1 1 13 SER CB C -8.880 -6.197 2.750 1.00 . A A . 13 SER CB 1 1 4 1413 1 1 13 SER H H -6.950 -7.815 2.193 1.00 . A A . 13 SER H 1 1 4 1414 1 1 13 SER HA H -9.564 -8.092 3.396 1.00 . A A . 13 SER HA 1 1 4 1415 1 1 13 SER HB2 H -8.280 -5.814 1.942 1.00 . A A . 13 SER HB2 1 1 4 1416 1 1 13 SER HB3 H -9.849 -5.721 2.752 1.00 . A A . 13 SER HB3 1 1 4 1417 1 1 13 SER HG H -8.896 -5.522 4.553 1.00 . A A . 13 SER HG 1 1 4 1418 1 1 13 SER N N -7.735 -8.320 2.519 1.00 . A A . 13 SER N 1 1 4 1419 1 1 13 SER O O -11.096 -7.796 1.268 1.00 . A A . 13 SER O 1 1 4 1420 1 1 13 SER OG O -8.221 -5.934 3.997 1.00 . A A . 13 SER OG 1 1 4 1421 1 1 14 GLY C C -10.377 -7.817 -1.765 1.00 . A A . 14 GLY C 1 1 4 1422 1 1 14 GLY CA C -9.891 -8.987 -0.945 1.00 . A A . 14 GLY CA 1 1 4 1423 1 1 14 GLY H H -8.244 -8.657 0.333 1.00 . A A . 14 GLY H 1 1 4 1424 1 1 14 GLY HA2 H -9.196 -9.563 -1.537 1.00 . A A . 14 GLY HA2 1 1 4 1425 1 1 14 GLY HA3 H -10.733 -9.613 -0.692 1.00 . A A . 14 GLY HA3 1 1 4 1426 1 1 14 GLY N N -9.221 -8.564 0.279 1.00 . A A . 14 GLY N 1 1 4 1427 1 1 14 GLY O O -11.344 -7.938 -2.542 1.00 . A A . 14 GLY O 1 1 4 1428 1 1 15 ALA C C -8.914 -4.536 -2.377 1.00 . A A . 15 ALA C 1 1 4 1429 1 1 15 ALA CA C -10.096 -5.469 -2.272 1.00 . A A . 15 ALA CA 1 1 4 1430 1 1 15 ALA CB C -11.235 -4.791 -1.509 1.00 . A A . 15 ALA CB 1 1 4 1431 1 1 15 ALA H H -8.899 -6.710 -1.051 1.00 . A A . 15 ALA H 1 1 4 1432 1 1 15 ALA HA H -10.446 -5.710 -3.265 1.00 . A A . 15 ALA HA 1 1 4 1433 1 1 15 ALA HB1 H -12.076 -5.464 -1.444 1.00 . A A . 15 ALA HB1 1 1 4 1434 1 1 15 ALA HB2 H -11.531 -3.890 -2.025 1.00 . A A . 15 ALA HB2 1 1 4 1435 1 1 15 ALA HB3 H -10.898 -4.539 -0.513 1.00 . A A . 15 ALA HB3 1 1 4 1436 1 1 15 ALA N N -9.707 -6.696 -1.612 1.00 . A A . 15 ALA N 1 1 4 1437 1 1 15 ALA O O -7.886 -4.740 -1.711 1.00 . A A . 15 ALA O 1 1 4 1438 1 1 16 LYS C C -7.995 -1.597 -2.208 1.00 . A A . 16 LYS C 1 1 4 1439 1 1 16 LYS CA C -8.010 -2.549 -3.365 1.00 . A A . 16 LYS CA 1 1 4 1440 1 1 16 LYS CB C -8.105 -1.815 -4.703 1.00 . A A . 16 LYS CB 1 1 4 1441 1 1 16 LYS CD C -7.964 -1.958 -7.206 1.00 . A A . 16 LYS CD 1 1 4 1442 1 1 16 LYS CE C -7.603 -2.824 -8.410 1.00 . A A . 16 LYS CE 1 1 4 1443 1 1 16 LYS CG C -7.732 -2.677 -5.892 1.00 . A A . 16 LYS CG 1 1 4 1444 1 1 16 LYS H H -9.881 -3.427 -3.707 1.00 . A A . 16 LYS H 1 1 4 1445 1 1 16 LYS HA H -7.069 -3.075 -3.330 1.00 . A A . 16 LYS HA 1 1 4 1446 1 1 16 LYS HB2 H -9.116 -1.462 -4.839 1.00 . A A . 16 LYS HB2 1 1 4 1447 1 1 16 LYS HB3 H -7.436 -0.967 -4.679 1.00 . A A . 16 LYS HB3 1 1 4 1448 1 1 16 LYS HD2 H -9.008 -1.688 -7.276 1.00 . A A . 16 LYS HD2 1 1 4 1449 1 1 16 LYS HD3 H -7.360 -1.062 -7.224 1.00 . A A . 16 LYS HD3 1 1 4 1450 1 1 16 LYS HE2 H -7.681 -2.229 -9.306 1.00 . A A . 16 LYS HE2 1 1 4 1451 1 1 16 LYS HE3 H -6.583 -3.156 -8.296 1.00 . A A . 16 LYS HE3 1 1 4 1452 1 1 16 LYS HG2 H -6.680 -2.909 -5.809 1.00 . A A . 16 LYS HG2 1 1 4 1453 1 1 16 LYS HG3 H -8.293 -3.594 -5.854 1.00 . A A . 16 LYS HG3 1 1 4 1454 1 1 16 LYS HZ1 H -8.260 -4.485 -9.454 1.00 . A A . 16 LYS HZ1 1 1 4 1455 1 1 16 LYS HZ2 H -9.484 -3.762 -8.553 1.00 . A A . 16 LYS HZ2 1 1 4 1456 1 1 16 LYS HZ3 H -8.335 -4.724 -7.803 1.00 . A A . 16 LYS HZ3 1 1 4 1457 1 1 16 LYS N N -9.044 -3.531 -3.204 1.00 . A A . 16 LYS N 1 1 4 1458 1 1 16 LYS NZ N -8.476 -4.012 -8.553 1.00 . A A . 16 LYS NZ 1 1 4 1459 1 1 16 LYS O O -9.016 -1.033 -1.822 1.00 . A A . 16 LYS O 1 1 4 1460 1 1 17 THR C C -5.569 0.361 -0.923 1.00 . A A . 17 THR C 1 1 4 1461 1 1 17 THR CA C -6.643 -0.633 -0.518 1.00 . A A . 17 THR CA 1 1 4 1462 1 1 17 THR CB C -6.184 -1.492 0.675 1.00 . A A . 17 THR CB 1 1 4 1463 1 1 17 THR CG2 C -6.209 -0.692 1.960 1.00 . A A . 17 THR CG2 1 1 4 1464 1 1 17 THR H H -6.073 -1.959 -1.988 1.00 . A A . 17 THR H 1 1 4 1465 1 1 17 THR HA H -7.562 -0.123 -0.269 1.00 . A A . 17 THR HA 1 1 4 1466 1 1 17 THR HB H -5.184 -1.857 0.486 1.00 . A A . 17 THR HB 1 1 4 1467 1 1 17 THR HG1 H -7.308 -2.901 -0.086 1.00 . A A . 17 THR HG1 1 1 4 1468 1 1 17 THR HG21 H -5.551 0.159 1.859 1.00 . A A . 17 THR HG21 1 1 4 1469 1 1 17 THR HG22 H -5.873 -1.313 2.777 1.00 . A A . 17 THR HG22 1 1 4 1470 1 1 17 THR HG23 H -7.215 -0.350 2.152 1.00 . A A . 17 THR HG23 1 1 4 1471 1 1 17 THR N N -6.855 -1.477 -1.632 1.00 . A A . 17 THR N 1 1 4 1472 1 1 17 THR O O -4.707 0.029 -1.761 1.00 . A A . 17 THR O 1 1 4 1473 1 1 17 THR OG1 O -7.092 -2.609 0.806 1.00 . A A . 17 THR OG1 1 1 4 1474 1 1 18 CYS C C -3.879 3.001 0.400 1.00 . A A . 18 CYS C 1 1 4 1475 1 1 18 CYS CA C -4.682 2.552 -0.786 1.00 . A A . 18 CYS CA 1 1 4 1476 1 1 18 CYS CB C -5.363 3.752 -1.423 1.00 . A A . 18 CYS CB 1 1 4 1477 1 1 18 CYS H H -6.310 1.804 0.252 1.00 . A A . 18 CYS H 1 1 4 1478 1 1 18 CYS HA H -4.010 2.120 -1.510 1.00 . A A . 18 CYS HA 1 1 4 1479 1 1 18 CYS HB2 H -5.874 4.305 -0.654 1.00 . A A . 18 CYS HB2 1 1 4 1480 1 1 18 CYS HB3 H -4.593 4.391 -1.831 1.00 . A A . 18 CYS HB3 1 1 4 1481 1 1 18 CYS N N -5.630 1.557 -0.411 1.00 . A A . 18 CYS N 1 1 4 1482 1 1 18 CYS O O -4.295 2.859 1.564 1.00 . A A . 18 CYS O 1 1 4 1483 1 1 18 CYS SG S -6.521 3.341 -2.778 1.00 . A A . 18 CYS SG 1 1 4 1484 1 1 19 VAL C C -1.473 5.458 0.608 1.00 . A A . 19 VAL C 1 1 4 1485 1 1 19 VAL CA C -1.832 4.055 1.075 1.00 . A A . 19 VAL CA 1 1 4 1486 1 1 19 VAL CB C -0.529 3.194 1.191 1.00 . A A . 19 VAL CB 1 1 4 1487 1 1 19 VAL CG1 C 0.367 3.707 2.309 1.00 . A A . 19 VAL CG1 1 1 4 1488 1 1 19 VAL CG2 C -0.847 1.717 1.407 1.00 . A A . 19 VAL CG2 1 1 4 1489 1 1 19 VAL H H -2.512 3.578 -0.850 1.00 . A A . 19 VAL H 1 1 4 1490 1 1 19 VAL HA H -2.333 4.105 2.029 1.00 . A A . 19 VAL HA 1 1 4 1491 1 1 19 VAL HB H 0.013 3.295 0.261 1.00 . A A . 19 VAL HB 1 1 4 1492 1 1 19 VAL HG11 H 1.274 3.122 2.345 1.00 . A A . 19 VAL HG11 1 1 4 1493 1 1 19 VAL HG12 H -0.153 3.615 3.251 1.00 . A A . 19 VAL HG12 1 1 4 1494 1 1 19 VAL HG13 H 0.608 4.744 2.133 1.00 . A A . 19 VAL HG13 1 1 4 1495 1 1 19 VAL HG21 H -1.407 1.601 2.324 1.00 . A A . 19 VAL HG21 1 1 4 1496 1 1 19 VAL HG22 H 0.072 1.154 1.473 1.00 . A A . 19 VAL HG22 1 1 4 1497 1 1 19 VAL HG23 H -1.435 1.350 0.579 1.00 . A A . 19 VAL HG23 1 1 4 1498 1 1 19 VAL N N -2.742 3.525 0.104 1.00 . A A . 19 VAL N 1 1 4 1499 1 1 19 VAL O O -0.988 5.614 -0.518 1.00 . A A . 19 VAL O 1 1 4 1500 1 1 20 PRO C C -3.917 6.036 2.598 1.00 . A A . 20 PRO C 1 1 4 1501 1 1 20 PRO CA C -2.433 6.396 2.716 1.00 . A A . 20 PRO CA 1 1 4 1502 1 1 20 PRO CB C -2.312 7.803 3.296 1.00 . A A . 20 PRO CB 1 1 4 1503 1 1 20 PRO CD C -1.432 7.907 1.087 1.00 . A A . 20 PRO CD 1 1 4 1504 1 1 20 PRO CG C -2.207 8.685 2.112 1.00 . A A . 20 PRO CG 1 1 4 1505 1 1 20 PRO HA H -1.936 5.693 3.367 1.00 . A A . 20 PRO HA 1 1 4 1506 1 1 20 PRO HB2 H -3.210 8.017 3.857 1.00 . A A . 20 PRO HB2 1 1 4 1507 1 1 20 PRO HB3 H -1.443 7.874 3.931 1.00 . A A . 20 PRO HB3 1 1 4 1508 1 1 20 PRO HD2 H -1.752 8.162 0.088 1.00 . A A . 20 PRO HD2 1 1 4 1509 1 1 20 PRO HD3 H -0.373 8.085 1.198 1.00 . A A . 20 PRO HD3 1 1 4 1510 1 1 20 PRO HG2 H -3.199 8.922 1.758 1.00 . A A . 20 PRO HG2 1 1 4 1511 1 1 20 PRO HG3 H -1.692 9.596 2.368 1.00 . A A . 20 PRO HG3 1 1 4 1512 1 1 20 PRO N N -1.760 6.509 1.403 1.00 . A A . 20 PRO N 1 1 4 1513 1 1 20 PRO O O -4.486 6.038 1.486 1.00 . A A . 20 PRO O 1 1 4 1514 1 1 21 ASP C C -6.805 6.355 3.165 1.00 . A A . 21 ASP C 1 1 4 1515 1 1 21 ASP CA C -5.930 5.359 3.866 1.00 . A A . 21 ASP CA 1 1 4 1516 1 1 21 ASP CB C -6.341 5.262 5.325 1.00 . A A . 21 ASP CB 1 1 4 1517 1 1 21 ASP CG C -7.824 5.007 5.516 1.00 . A A . 21 ASP CG 1 1 4 1518 1 1 21 ASP H H -3.985 5.750 4.572 1.00 . A A . 21 ASP H 1 1 4 1519 1 1 21 ASP HA H -6.058 4.391 3.406 1.00 . A A . 21 ASP HA 1 1 4 1520 1 1 21 ASP HB2 H -5.784 4.479 5.819 1.00 . A A . 21 ASP HB2 1 1 4 1521 1 1 21 ASP HB3 H -6.106 6.215 5.771 1.00 . A A . 21 ASP HB3 1 1 4 1522 1 1 21 ASP N N -4.518 5.732 3.750 1.00 . A A . 21 ASP N 1 1 4 1523 1 1 21 ASP O O -6.862 7.532 3.543 1.00 . A A . 21 ASP O 1 1 4 1524 1 1 21 ASP OD1 O -8.273 3.852 5.344 1.00 . A A . 21 ASP OD1 1 1 4 1525 1 1 21 ASP OD2 O -8.555 5.952 5.891 1.00 . A A . 21 ASP OD2 1 1 4 1526 1 1 22 ASN C C -7.650 7.893 0.746 1.00 . A A . 22 ASN C 1 1 4 1527 1 1 22 ASN CA C -8.286 6.634 1.273 1.00 . A A . 22 ASN CA 1 1 4 1528 1 1 22 ASN CB C -9.689 6.867 1.821 1.00 . A A . 22 ASN CB 1 1 4 1529 1 1 22 ASN CG C -10.604 5.656 1.697 1.00 . A A . 22 ASN CG 1 1 4 1530 1 1 22 ASN H H -7.345 4.916 1.967 1.00 . A A . 22 ASN H 1 1 4 1531 1 1 22 ASN HA H -8.385 6.003 0.401 1.00 . A A . 22 ASN HA 1 1 4 1532 1 1 22 ASN HB2 H -9.620 7.141 2.863 1.00 . A A . 22 ASN HB2 1 1 4 1533 1 1 22 ASN HB3 H -10.115 7.681 1.260 1.00 . A A . 22 ASN HB3 1 1 4 1534 1 1 22 ASN HD21 H -9.805 5.137 -0.061 1.00 . A A . 22 ASN HD21 1 1 4 1535 1 1 22 ASN HD22 H -11.045 4.120 0.543 1.00 . A A . 22 ASN HD22 1 1 4 1536 1 1 22 ASN N N -7.442 5.874 2.141 1.00 . A A . 22 ASN N 1 1 4 1537 1 1 22 ASN ND2 N -10.472 4.910 0.632 1.00 . A A . 22 ASN ND2 1 1 4 1538 1 1 22 ASN O O -8.125 9.007 0.985 1.00 . A A . 22 ASN O 1 1 4 1539 1 1 22 ASN OD1 O -11.469 5.430 2.531 1.00 . A A . 22 ASN OD1 1 1 4 1540 1 1 23 CYS C C -6.611 8.929 -1.962 1.00 . A A . 23 CYS C 1 1 4 1541 1 1 23 CYS CA C -5.895 8.806 -0.630 1.00 . A A . 23 CYS CA 1 1 4 1542 1 1 23 CYS CB C -4.421 8.511 -0.880 1.00 . A A . 23 CYS CB 1 1 4 1543 1 1 23 CYS H H -6.011 6.885 0.203 1.00 . A A . 23 CYS H 1 1 4 1544 1 1 23 CYS HA H -5.999 9.725 -0.076 1.00 . A A . 23 CYS HA 1 1 4 1545 1 1 23 CYS HB2 H -3.963 9.353 -1.376 1.00 . A A . 23 CYS HB2 1 1 4 1546 1 1 23 CYS HB3 H -3.936 8.347 0.069 1.00 . A A . 23 CYS HB3 1 1 4 1547 1 1 23 CYS N N -6.510 7.727 0.114 1.00 . A A . 23 CYS N 1 1 4 1548 1 1 23 CYS O O -6.482 9.930 -2.678 1.00 . A A . 23 CYS O 1 1 4 1549 1 1 23 CYS SG S -4.123 7.028 -1.907 1.00 . A A . 23 CYS SG 1 1 4 1550 1 1 24 ASP C C -9.347 8.675 -3.449 1.00 . A A . 24 ASP C 1 1 4 1551 1 1 24 ASP CA C -8.108 7.810 -3.486 1.00 . A A . 24 ASP CA 1 1 4 1552 1 1 24 ASP CB C -8.414 6.332 -3.837 1.00 . A A . 24 ASP CB 1 1 4 1553 1 1 24 ASP CG C -9.343 5.604 -2.867 1.00 . A A . 24 ASP CG 1 1 4 1554 1 1 24 ASP H H -7.550 7.215 -1.598 1.00 . A A . 24 ASP H 1 1 4 1555 1 1 24 ASP HA H -7.435 8.204 -4.228 1.00 . A A . 24 ASP HA 1 1 4 1556 1 1 24 ASP HB2 H -8.873 6.294 -4.813 1.00 . A A . 24 ASP HB2 1 1 4 1557 1 1 24 ASP HB3 H -7.479 5.792 -3.880 1.00 . A A . 24 ASP HB3 1 1 4 1558 1 1 24 ASP N N -7.406 7.917 -2.262 1.00 . A A . 24 ASP N 1 1 4 1559 1 1 24 ASP O O -10.467 8.233 -3.206 1.00 . A A . 24 ASP O 1 1 4 1560 1 1 24 ASP OD1 O -10.385 5.059 -3.323 1.00 . A A . 24 ASP OD1 1 1 4 1561 1 1 24 ASP OD2 O -9.063 5.566 -1.639 1.00 . A A . 24 ASP OD2 1 1 4 1562 1 1 25 ALA C C -9.903 11.981 -4.647 1.00 . A A . 25 ALA C 1 1 4 1563 1 1 25 ALA CA C -10.152 10.910 -3.606 1.00 . A A . 25 ALA CA 1 1 4 1564 1 1 25 ALA CB C -10.249 11.537 -2.223 1.00 . A A . 25 ALA CB 1 1 4 1565 1 1 25 ALA H H -8.156 10.150 -3.699 1.00 . A A . 25 ALA H 1 1 4 1566 1 1 25 ALA HA H -11.084 10.407 -3.808 1.00 . A A . 25 ALA HA 1 1 4 1567 1 1 25 ALA HB1 H -11.069 12.237 -2.201 1.00 . A A . 25 ALA HB1 1 1 4 1568 1 1 25 ALA HB2 H -9.327 12.055 -2.000 1.00 . A A . 25 ALA HB2 1 1 4 1569 1 1 25 ALA HB3 H -10.413 10.762 -1.489 1.00 . A A . 25 ALA HB3 1 1 4 1570 1 1 25 ALA N N -9.109 9.921 -3.621 1.00 . A A . 25 ALA N 1 1 4 1571 1 1 25 ALA O O -10.659 12.942 -4.753 1.00 . A A . 25 ALA O 1 1 4 1572 1 1 26 SER C C -8.614 12.269 -7.809 1.00 . A A . 26 SER C 1 1 4 1573 1 1 26 SER CA C -8.508 12.814 -6.391 1.00 . A A . 26 SER CA 1 1 4 1574 1 1 26 SER CB C -7.115 13.333 -6.070 1.00 . A A . 26 SER CB 1 1 4 1575 1 1 26 SER H H -8.309 11.014 -5.372 1.00 . A A . 26 SER H 1 1 4 1576 1 1 26 SER HA H -9.207 13.631 -6.287 1.00 . A A . 26 SER HA 1 1 4 1577 1 1 26 SER HB2 H -6.759 13.936 -6.891 1.00 . A A . 26 SER HB2 1 1 4 1578 1 1 26 SER HB3 H -7.164 13.937 -5.177 1.00 . A A . 26 SER HB3 1 1 4 1579 1 1 26 SER HG H -5.657 12.174 -6.638 1.00 . A A . 26 SER HG 1 1 4 1580 1 1 26 SER N N -8.868 11.819 -5.421 1.00 . A A . 26 SER N 1 1 4 1581 1 1 26 SER O O -8.155 12.890 -8.780 1.00 . A A . 26 SER O 1 1 4 1582 1 1 26 SER OG O -6.204 12.256 -5.844 1.00 . A A . 26 SER OG 1 1 4 1583 1 1 27 ARG C C -10.885 10.593 -9.600 1.00 . A A . 27 ARG C 1 1 4 1584 1 1 27 ARG CA C -9.441 10.509 -9.188 1.00 . A A . 27 ARG CA 1 1 4 1585 1 1 27 ARG CB C -8.965 9.055 -9.133 1.00 . A A . 27 ARG CB 1 1 4 1586 1 1 27 ARG CD C -9.088 6.794 -8.078 1.00 . A A . 27 ARG CD 1 1 4 1587 1 1 27 ARG CG C -9.620 8.208 -8.057 1.00 . A A . 27 ARG CG 1 1 4 1588 1 1 27 ARG CZ C -9.452 4.645 -6.876 1.00 . A A . 27 ARG CZ 1 1 4 1589 1 1 27 ARG H H -9.711 10.748 -7.158 1.00 . A A . 27 ARG H 1 1 4 1590 1 1 27 ARG HA H -8.844 11.044 -9.913 1.00 . A A . 27 ARG HA 1 1 4 1591 1 1 27 ARG HB2 H -9.175 8.593 -10.087 1.00 . A A . 27 ARG HB2 1 1 4 1592 1 1 27 ARG HB3 H -7.898 9.046 -8.969 1.00 . A A . 27 ARG HB3 1 1 4 1593 1 1 27 ARG HD2 H -9.356 6.342 -9.021 1.00 . A A . 27 ARG HD2 1 1 4 1594 1 1 27 ARG HD3 H -8.012 6.825 -7.988 1.00 . A A . 27 ARG HD3 1 1 4 1595 1 1 27 ARG HE H -10.120 6.467 -6.291 1.00 . A A . 27 ARG HE 1 1 4 1596 1 1 27 ARG HG2 H -9.423 8.646 -7.090 1.00 . A A . 27 ARG HG2 1 1 4 1597 1 1 27 ARG HG3 H -10.684 8.189 -8.233 1.00 . A A . 27 ARG HG3 1 1 4 1598 1 1 27 ARG HH11 H -8.577 4.416 -8.711 1.00 . A A . 27 ARG HH11 1 1 4 1599 1 1 27 ARG HH12 H -8.701 2.986 -7.810 1.00 . A A . 27 ARG HH12 1 1 4 1600 1 1 27 ARG HH21 H -10.279 4.458 -4.996 1.00 . A A . 27 ARG HH21 1 1 4 1601 1 1 27 ARG HH22 H -9.729 3.005 -5.682 1.00 . A A . 27 ARG HH22 1 1 4 1602 1 1 27 ARG N N -9.272 11.150 -7.933 1.00 . A A . 27 ARG N 1 1 4 1603 1 1 27 ARG NE N -9.636 5.971 -6.987 1.00 . A A . 27 ARG NE 1 1 4 1604 1 1 27 ARG NH1 N -8.879 3.972 -7.865 1.00 . A A . 27 ARG NH1 1 1 4 1605 1 1 27 ARG NH2 N -9.846 3.997 -5.782 1.00 . A A . 27 ARG NH2 1 1 4 1606 1 1 27 ARG O O -11.771 10.824 -8.767 1.00 . A A . 27 ARG O 1 1 4 1607 1 1 28 GLY C C -12.450 11.404 -12.577 1.00 . A A . 28 GLY C 1 1 4 1608 1 1 28 GLY CA C -12.433 10.496 -11.388 1.00 . A A . 28 GLY CA 1 1 4 1609 1 1 28 GLY H H -10.338 10.218 -11.412 1.00 . A A . 28 GLY H 1 1 4 1610 1 1 28 GLY HA2 H -12.760 9.510 -11.682 1.00 . A A . 28 GLY HA2 1 1 4 1611 1 1 28 GLY HA3 H -13.103 10.889 -10.638 1.00 . A A . 28 GLY HA3 1 1 4 1612 1 1 28 GLY N N -11.112 10.414 -10.845 1.00 . A A . 28 GLY N 1 1 4 1613 1 1 28 GLY O O -12.349 10.946 -13.714 1.00 . A A . 28 GLY O 1 1 4 1614 1 1 29 THR C C -11.122 13.877 -13.943 1.00 . A A . 29 THR C 1 1 4 1615 1 1 29 THR CA C -12.537 13.650 -13.406 1.00 . A A . 29 THR CA 1 1 4 1616 1 1 29 THR CB C -13.174 14.980 -12.958 1.00 . A A . 29 THR CB 1 1 4 1617 1 1 29 THR CG2 C -14.656 14.800 -12.694 1.00 . A A . 29 THR CG2 1 1 4 1618 1 1 29 THR H H -12.572 13.001 -11.404 1.00 . A A . 29 THR H 1 1 4 1619 1 1 29 THR HA H -13.135 13.230 -14.202 1.00 . A A . 29 THR HA 1 1 4 1620 1 1 29 THR HB H -13.041 15.706 -13.747 1.00 . A A . 29 THR HB 1 1 4 1621 1 1 29 THR HG1 H -12.964 15.069 -10.994 1.00 . A A . 29 THR HG1 1 1 4 1622 1 1 29 THR HG21 H -15.150 14.488 -13.603 1.00 . A A . 29 THR HG21 1 1 4 1623 1 1 29 THR HG22 H -15.080 15.733 -12.353 1.00 . A A . 29 THR HG22 1 1 4 1624 1 1 29 THR HG23 H -14.796 14.044 -11.936 1.00 . A A . 29 THR HG23 1 1 4 1625 1 1 29 THR N N -12.523 12.688 -12.332 1.00 . A A . 29 THR N 1 1 4 1626 1 1 29 THR O O -10.908 13.974 -15.154 1.00 . A A . 29 THR O 1 1 4 1627 1 1 29 THR OG1 O -12.528 15.461 -11.762 1.00 . A A . 29 THR OG1 1 1 4 1628 1 1 30 ASN C C -8.127 12.740 -13.568 1.00 . A A . 30 ASN C 1 1 4 1629 1 1 30 ASN CA C -8.771 14.100 -13.422 1.00 . A A . 30 ASN CA 1 1 4 1630 1 1 30 ASN CB C -7.980 14.944 -12.401 1.00 . A A . 30 ASN CB 1 1 4 1631 1 1 30 ASN CG C -8.429 16.391 -12.331 1.00 . A A . 30 ASN CG 1 1 4 1632 1 1 30 ASN H H -10.397 13.855 -12.092 1.00 . A A . 30 ASN H 1 1 4 1633 1 1 30 ASN HA H -8.767 14.605 -14.376 1.00 . A A . 30 ASN HA 1 1 4 1634 1 1 30 ASN HB2 H -8.092 14.510 -11.418 1.00 . A A . 30 ASN HB2 1 1 4 1635 1 1 30 ASN HB3 H -6.935 14.924 -12.673 1.00 . A A . 30 ASN HB3 1 1 4 1636 1 1 30 ASN HD21 H -9.661 15.987 -10.839 1.00 . A A . 30 ASN HD21 1 1 4 1637 1 1 30 ASN HD22 H -9.619 17.631 -11.364 1.00 . A A . 30 ASN HD22 1 1 4 1638 1 1 30 ASN N N -10.162 13.936 -13.041 1.00 . A A . 30 ASN N 1 1 4 1639 1 1 30 ASN ND2 N -9.321 16.699 -11.427 1.00 . A A . 30 ASN ND2 1 1 4 1640 1 1 30 ASN O O -8.348 11.872 -12.713 1.00 . A A . 30 ASN O 1 1 4 1641 1 1 30 ASN OD1 O -7.947 17.235 -13.085 1.00 . A A . 30 ASN OD1 1 1 4 1642 1 1 31 PRO C C -5.697 10.871 -13.807 1.00 . A A . 31 PRO C 1 1 4 1643 1 1 31 PRO CA C -6.671 11.240 -14.924 1.00 . A A . 31 PRO CA 1 1 4 1644 1 1 31 PRO CB C -5.911 11.488 -16.235 1.00 . A A . 31 PRO CB 1 1 4 1645 1 1 31 PRO CD C -7.114 13.488 -15.750 1.00 . A A . 31 PRO CD 1 1 4 1646 1 1 31 PRO CG C -6.614 12.630 -16.873 1.00 . A A . 31 PRO CG 1 1 4 1647 1 1 31 PRO HA H -7.378 10.435 -15.056 1.00 . A A . 31 PRO HA 1 1 4 1648 1 1 31 PRO HB2 H -4.882 11.729 -16.014 1.00 . A A . 31 PRO HB2 1 1 4 1649 1 1 31 PRO HB3 H -5.952 10.604 -16.854 1.00 . A A . 31 PRO HB3 1 1 4 1650 1 1 31 PRO HD2 H -6.369 14.216 -15.464 1.00 . A A . 31 PRO HD2 1 1 4 1651 1 1 31 PRO HD3 H -8.029 13.973 -16.054 1.00 . A A . 31 PRO HD3 1 1 4 1652 1 1 31 PRO HG2 H -5.927 13.186 -17.495 1.00 . A A . 31 PRO HG2 1 1 4 1653 1 1 31 PRO HG3 H -7.443 12.267 -17.464 1.00 . A A . 31 PRO HG3 1 1 4 1654 1 1 31 PRO N N -7.362 12.516 -14.664 1.00 . A A . 31 PRO N 1 1 4 1655 1 1 31 PRO O O -4.577 11.427 -13.760 1.00 . A A . 31 PRO O 1 1 4 1656 1 1 31 PRO OXT O -6.050 10.018 -12.965 1.00 . A A . 31 PRO OXT 1 1 5 1657 1 1 1 ASP C C 0.057 13.566 2.258 1.00 . A A . 1 ASP C 1 1 5 1658 1 1 1 ASP CA C 0.669 13.943 3.568 1.00 . A A . 1 ASP CA 1 1 5 1659 1 1 1 ASP CB C 2.044 13.260 3.665 1.00 . A A . 1 ASP CB 1 1 5 1660 1 1 1 ASP CG C 2.804 13.610 4.907 1.00 . A A . 1 ASP CG 1 1 5 1661 1 1 1 ASP H1 H -1.142 14.026 4.559 1.00 . A A . 1 ASP H1 1 1 5 1662 1 1 1 ASP H2 H 0.138 13.791 5.603 1.00 . A A . 1 ASP H2 1 1 5 1663 1 1 1 ASP H3 H -0.425 12.519 4.630 1.00 . A A . 1 ASP H3 1 1 5 1664 1 1 1 ASP HA H 0.797 15.012 3.612 1.00 . A A . 1 ASP HA 1 1 5 1665 1 1 1 ASP HB2 H 1.904 12.190 3.651 1.00 . A A . 1 ASP HB2 1 1 5 1666 1 1 1 ASP HB3 H 2.634 13.545 2.807 1.00 . A A . 1 ASP HB3 1 1 5 1667 1 1 1 ASP N N -0.231 13.538 4.666 1.00 . A A . 1 ASP N 1 1 5 1668 1 1 1 ASP O O -0.431 12.446 2.107 1.00 . A A . 1 ASP O 1 1 5 1669 1 1 1 ASP OD1 O 2.715 12.862 5.896 1.00 . A A . 1 ASP OD1 1 1 5 1670 1 1 1 ASP OD2 O 3.498 14.641 4.928 1.00 . A A . 1 ASP OD2 1 1 5 1671 1 1 2 VAL C C 0.544 13.434 -0.897 1.00 . A A . 2 VAL C 1 1 5 1672 1 1 2 VAL CA C -0.463 14.183 -0.015 1.00 . A A . 2 VAL CA 1 1 5 1673 1 1 2 VAL CB C -1.062 15.430 -0.753 1.00 . A A . 2 VAL CB 1 1 5 1674 1 1 2 VAL CG1 C -2.347 15.877 -0.081 1.00 . A A . 2 VAL CG1 1 1 5 1675 1 1 2 VAL CG2 C -0.069 16.597 -0.787 1.00 . A A . 2 VAL CG2 1 1 5 1676 1 1 2 VAL H H 0.440 15.367 1.485 1.00 . A A . 2 VAL H 1 1 5 1677 1 1 2 VAL HA H -1.267 13.483 0.167 1.00 . A A . 2 VAL HA 1 1 5 1678 1 1 2 VAL HB H -1.293 15.144 -1.770 1.00 . A A . 2 VAL HB 1 1 5 1679 1 1 2 VAL HG11 H -2.134 16.146 0.942 1.00 . A A . 2 VAL HG11 1 1 5 1680 1 1 2 VAL HG12 H -3.067 15.073 -0.102 1.00 . A A . 2 VAL HG12 1 1 5 1681 1 1 2 VAL HG13 H -2.748 16.735 -0.601 1.00 . A A . 2 VAL HG13 1 1 5 1682 1 1 2 VAL HG21 H 0.176 16.892 0.222 1.00 . A A . 2 VAL HG21 1 1 5 1683 1 1 2 VAL HG22 H -0.510 17.433 -1.309 1.00 . A A . 2 VAL HG22 1 1 5 1684 1 1 2 VAL HG23 H 0.830 16.287 -1.300 1.00 . A A . 2 VAL HG23 1 1 5 1685 1 1 2 VAL N N 0.072 14.475 1.301 1.00 . A A . 2 VAL N 1 1 5 1686 1 1 2 VAL O O 1.083 13.969 -1.873 1.00 . A A . 2 VAL O 1 1 5 1687 1 1 3 SER C C 0.948 10.760 -2.434 1.00 . A A . 3 SER C 1 1 5 1688 1 1 3 SER CA C 1.714 11.371 -1.254 1.00 . A A . 3 SER CA 1 1 5 1689 1 1 3 SER CB C 2.252 10.298 -0.298 1.00 . A A . 3 SER CB 1 1 5 1690 1 1 3 SER H H 0.416 11.853 0.297 1.00 . A A . 3 SER H 1 1 5 1691 1 1 3 SER HA H 2.534 11.970 -1.620 1.00 . A A . 3 SER HA 1 1 5 1692 1 1 3 SER HB2 H 2.741 9.522 -0.870 1.00 . A A . 3 SER HB2 1 1 5 1693 1 1 3 SER HB3 H 2.959 10.745 0.385 1.00 . A A . 3 SER HB3 1 1 5 1694 1 1 3 SER HG H 0.708 9.123 -0.136 1.00 . A A . 3 SER HG 1 1 5 1695 1 1 3 SER N N 0.825 12.220 -0.517 1.00 . A A . 3 SER N 1 1 5 1696 1 1 3 SER O O -0.287 10.723 -2.390 1.00 . A A . 3 SER O 1 1 5 1697 1 1 3 SER OG O 1.189 9.711 0.457 1.00 . A A . 3 SER OG 1 1 5 1698 1 1 4 PRO C C 0.104 8.539 -4.244 1.00 . A A . 4 PRO C 1 1 5 1699 1 1 4 PRO CA C 0.980 9.712 -4.674 1.00 . A A . 4 PRO CA 1 1 5 1700 1 1 4 PRO CB C 2.148 9.221 -5.528 1.00 . A A . 4 PRO CB 1 1 5 1701 1 1 4 PRO CD C 3.099 10.430 -3.707 1.00 . A A . 4 PRO CD 1 1 5 1702 1 1 4 PRO CG C 3.282 10.108 -5.160 1.00 . A A . 4 PRO CG 1 1 5 1703 1 1 4 PRO HA H 0.383 10.425 -5.224 1.00 . A A . 4 PRO HA 1 1 5 1704 1 1 4 PRO HB2 H 2.357 8.186 -5.304 1.00 . A A . 4 PRO HB2 1 1 5 1705 1 1 4 PRO HB3 H 1.892 9.328 -6.571 1.00 . A A . 4 PRO HB3 1 1 5 1706 1 1 4 PRO HD2 H 3.619 9.714 -3.089 1.00 . A A . 4 PRO HD2 1 1 5 1707 1 1 4 PRO HD3 H 3.444 11.431 -3.500 1.00 . A A . 4 PRO HD3 1 1 5 1708 1 1 4 PRO HG2 H 4.219 9.595 -5.318 1.00 . A A . 4 PRO HG2 1 1 5 1709 1 1 4 PRO HG3 H 3.246 11.013 -5.751 1.00 . A A . 4 PRO HG3 1 1 5 1710 1 1 4 PRO N N 1.637 10.333 -3.517 1.00 . A A . 4 PRO N 1 1 5 1711 1 1 4 PRO O O 0.570 7.641 -3.533 1.00 . A A . 4 PRO O 1 1 5 1712 1 1 5 CYS C C -1.785 6.248 -4.853 1.00 . A A . 5 CYS C 1 1 5 1713 1 1 5 CYS CA C -2.145 7.584 -4.275 1.00 . A A . 5 CYS CA 1 1 5 1714 1 1 5 CYS CB C -3.509 7.983 -4.809 1.00 . A A . 5 CYS CB 1 1 5 1715 1 1 5 CYS H H -1.421 9.280 -5.281 1.00 . A A . 5 CYS H 1 1 5 1716 1 1 5 CYS HA H -2.193 7.525 -3.199 1.00 . A A . 5 CYS HA 1 1 5 1717 1 1 5 CYS HB2 H -3.737 9.011 -4.574 1.00 . A A . 5 CYS HB2 1 1 5 1718 1 1 5 CYS HB3 H -3.408 7.846 -5.877 1.00 . A A . 5 CYS HB3 1 1 5 1719 1 1 5 CYS N N -1.148 8.574 -4.658 1.00 . A A . 5 CYS N 1 1 5 1720 1 1 5 CYS O O -1.898 6.033 -6.068 1.00 . A A . 5 CYS O 1 1 5 1721 1 1 5 CYS SG S -4.908 6.923 -4.267 1.00 . A A . 5 CYS SG 1 1 5 1722 1 1 6 PHE C C -1.795 3.085 -3.718 1.00 . A A . 6 PHE C 1 1 5 1723 1 1 6 PHE CA C -0.984 4.079 -4.491 1.00 . A A . 6 PHE CA 1 1 5 1724 1 1 6 PHE CB C 0.506 3.815 -4.322 1.00 . A A . 6 PHE CB 1 1 5 1725 1 1 6 PHE CD1 C 1.306 1.449 -4.529 1.00 . A A . 6 PHE CD1 1 1 5 1726 1 1 6 PHE CD2 C 1.022 2.762 -6.487 1.00 . A A . 6 PHE CD2 1 1 5 1727 1 1 6 PHE CE1 C 1.705 0.380 -5.306 1.00 . A A . 6 PHE CE1 1 1 5 1728 1 1 6 PHE CE2 C 1.414 1.720 -7.264 1.00 . A A . 6 PHE CE2 1 1 5 1729 1 1 6 PHE CG C 0.963 2.650 -5.121 1.00 . A A . 6 PHE CG 1 1 5 1730 1 1 6 PHE CZ C 1.759 0.515 -6.681 1.00 . A A . 6 PHE CZ 1 1 5 1731 1 1 6 PHE H H -1.188 5.628 -3.093 1.00 . A A . 6 PHE H 1 1 5 1732 1 1 6 PHE HA H -1.240 4.012 -5.538 1.00 . A A . 6 PHE HA 1 1 5 1733 1 1 6 PHE HB2 H 1.057 4.684 -4.648 1.00 . A A . 6 PHE HB2 1 1 5 1734 1 1 6 PHE HB3 H 0.720 3.619 -3.282 1.00 . A A . 6 PHE HB3 1 1 5 1735 1 1 6 PHE HD1 H 1.262 1.351 -3.455 1.00 . A A . 6 PHE HD1 1 1 5 1736 1 1 6 PHE HD2 H 0.754 3.701 -6.947 1.00 . A A . 6 PHE HD2 1 1 5 1737 1 1 6 PHE HE1 H 1.970 -0.556 -4.838 1.00 . A A . 6 PHE HE1 1 1 5 1738 1 1 6 PHE HE2 H 1.433 1.877 -8.332 1.00 . A A . 6 PHE HE2 1 1 5 1739 1 1 6 PHE HZ H 2.069 -0.317 -7.298 1.00 . A A . 6 PHE HZ 1 1 5 1740 1 1 6 PHE N N -1.315 5.378 -4.035 1.00 . A A . 6 PHE N 1 1 5 1741 1 1 6 PHE O O -1.908 3.199 -2.500 1.00 . A A . 6 PHE O 1 1 5 1742 1 1 7 CYS C C -2.602 -0.211 -3.942 1.00 . A A . 7 CYS C 1 1 5 1743 1 1 7 CYS CA C -3.182 1.165 -3.745 1.00 . A A . 7 CYS CA 1 1 5 1744 1 1 7 CYS CB C -4.618 1.203 -4.247 1.00 . A A . 7 CYS CB 1 1 5 1745 1 1 7 CYS H H -2.268 2.095 -5.372 1.00 . A A . 7 CYS H 1 1 5 1746 1 1 7 CYS HA H -3.183 1.385 -2.689 1.00 . A A . 7 CYS HA 1 1 5 1747 1 1 7 CYS HB2 H -4.618 0.928 -5.287 1.00 . A A . 7 CYS HB2 1 1 5 1748 1 1 7 CYS HB3 H -5.180 0.461 -3.701 1.00 . A A . 7 CYS HB3 1 1 5 1749 1 1 7 CYS N N -2.378 2.150 -4.398 1.00 . A A . 7 CYS N 1 1 5 1750 1 1 7 CYS O O -2.074 -0.536 -5.006 1.00 . A A . 7 CYS O 1 1 5 1751 1 1 7 CYS SG S -5.459 2.812 -4.037 1.00 . A A . 7 CYS SG 1 1 5 1752 1 1 8 VAL C C -3.399 -3.235 -2.628 1.00 . A A . 8 VAL C 1 1 5 1753 1 1 8 VAL CA C -2.217 -2.364 -2.947 1.00 . A A . 8 VAL CA 1 1 5 1754 1 1 8 VAL CB C -1.114 -2.638 -1.890 1.00 . A A . 8 VAL CB 1 1 5 1755 1 1 8 VAL CG1 C -0.464 -4.006 -2.105 1.00 . A A . 8 VAL CG1 1 1 5 1756 1 1 8 VAL CG2 C -0.070 -1.529 -1.837 1.00 . A A . 8 VAL CG2 1 1 5 1757 1 1 8 VAL H H -3.151 -0.662 -2.121 1.00 . A A . 8 VAL H 1 1 5 1758 1 1 8 VAL HA H -1.848 -2.587 -3.937 1.00 . A A . 8 VAL HA 1 1 5 1759 1 1 8 VAL HB H -1.632 -2.685 -0.948 1.00 . A A . 8 VAL HB 1 1 5 1760 1 1 8 VAL HG11 H 0.293 -4.168 -1.353 1.00 . A A . 8 VAL HG11 1 1 5 1761 1 1 8 VAL HG12 H -0.011 -4.039 -3.084 1.00 . A A . 8 VAL HG12 1 1 5 1762 1 1 8 VAL HG13 H -1.216 -4.778 -2.032 1.00 . A A . 8 VAL HG13 1 1 5 1763 1 1 8 VAL HG21 H 0.670 -1.767 -1.088 1.00 . A A . 8 VAL HG21 1 1 5 1764 1 1 8 VAL HG22 H -0.550 -0.595 -1.586 1.00 . A A . 8 VAL HG22 1 1 5 1765 1 1 8 VAL HG23 H 0.407 -1.439 -2.801 1.00 . A A . 8 VAL HG23 1 1 5 1766 1 1 8 VAL N N -2.695 -1.004 -2.924 1.00 . A A . 8 VAL N 1 1 5 1767 1 1 8 VAL O O -4.162 -2.936 -1.709 1.00 . A A . 8 VAL O 1 1 5 1768 1 1 9 GLU C C -4.385 -6.230 -2.219 1.00 . A A . 9 GLU C 1 1 5 1769 1 1 9 GLU CA C -4.684 -5.150 -3.227 1.00 . A A . 9 GLU CA 1 1 5 1770 1 1 9 GLU CB C -4.993 -5.797 -4.595 1.00 . A A . 9 GLU CB 1 1 5 1771 1 1 9 GLU CD C -7.505 -6.019 -4.331 1.00 . A A . 9 GLU CD 1 1 5 1772 1 1 9 GLU CG C -6.205 -6.734 -4.610 1.00 . A A . 9 GLU CG 1 1 5 1773 1 1 9 GLU H H -2.819 -4.496 -3.974 1.00 . A A . 9 GLU H 1 1 5 1774 1 1 9 GLU HA H -5.553 -4.588 -2.909 1.00 . A A . 9 GLU HA 1 1 5 1775 1 1 9 GLU HB2 H -5.171 -5.011 -5.314 1.00 . A A . 9 GLU HB2 1 1 5 1776 1 1 9 GLU HB3 H -4.126 -6.361 -4.909 1.00 . A A . 9 GLU HB3 1 1 5 1777 1 1 9 GLU HG2 H -6.275 -7.200 -5.582 1.00 . A A . 9 GLU HG2 1 1 5 1778 1 1 9 GLU HG3 H -6.060 -7.496 -3.859 1.00 . A A . 9 GLU HG3 1 1 5 1779 1 1 9 GLU N N -3.547 -4.276 -3.354 1.00 . A A . 9 GLU N 1 1 5 1780 1 1 9 GLU O O -3.291 -6.795 -2.213 1.00 . A A . 9 GLU O 1 1 5 1781 1 1 9 GLU OE1 O -8.278 -5.758 -5.285 1.00 . A A . 9 GLU OE1 1 1 5 1782 1 1 9 GLU OE2 O -7.774 -5.683 -3.189 1.00 . A A . 9 GLU OE2 1 1 5 1783 1 1 10 ASP C C -6.045 -8.674 -1.140 1.00 . A A . 10 ASP C 1 1 5 1784 1 1 10 ASP CA C -5.214 -7.624 -0.482 1.00 . A A . 10 ASP CA 1 1 5 1785 1 1 10 ASP CB C -5.731 -7.355 0.935 1.00 . A A . 10 ASP CB 1 1 5 1786 1 1 10 ASP CG C -5.583 -8.570 1.839 1.00 . A A . 10 ASP CG 1 1 5 1787 1 1 10 ASP H H -6.107 -5.901 -1.308 1.00 . A A . 10 ASP H 1 1 5 1788 1 1 10 ASP HA H -4.183 -7.947 -0.464 1.00 . A A . 10 ASP HA 1 1 5 1789 1 1 10 ASP HB2 H -5.174 -6.539 1.367 1.00 . A A . 10 ASP HB2 1 1 5 1790 1 1 10 ASP HB3 H -6.776 -7.089 0.885 1.00 . A A . 10 ASP HB3 1 1 5 1791 1 1 10 ASP N N -5.312 -6.479 -1.344 1.00 . A A . 10 ASP N 1 1 5 1792 1 1 10 ASP O O -7.268 -8.587 -1.132 1.00 . A A . 10 ASP O 1 1 5 1793 1 1 10 ASP OD1 O -6.395 -9.499 1.749 1.00 . A A . 10 ASP OD1 1 1 5 1794 1 1 10 ASP OD2 O -4.662 -8.606 2.672 1.00 . A A . 10 ASP OD2 1 1 5 1795 1 1 11 GLU C C -6.921 -11.582 -1.734 1.00 . A A . 11 GLU C 1 1 5 1796 1 1 11 GLU CA C -6.021 -10.654 -2.556 1.00 . A A . 11 GLU CA 1 1 5 1797 1 1 11 GLU CB C -4.917 -11.445 -3.256 1.00 . A A . 11 GLU CB 1 1 5 1798 1 1 11 GLU CD C -4.186 -12.923 -5.123 1.00 . A A . 11 GLU CD 1 1 5 1799 1 1 11 GLU CG C -5.359 -12.319 -4.407 1.00 . A A . 11 GLU CG 1 1 5 1800 1 1 11 GLU H H -4.418 -9.682 -1.595 1.00 . A A . 11 GLU H 1 1 5 1801 1 1 11 GLU HA H -6.614 -10.158 -3.309 1.00 . A A . 11 GLU HA 1 1 5 1802 1 1 11 GLU HB2 H -4.182 -10.752 -3.631 1.00 . A A . 11 GLU HB2 1 1 5 1803 1 1 11 GLU HB3 H -4.443 -12.077 -2.520 1.00 . A A . 11 GLU HB3 1 1 5 1804 1 1 11 GLU HG2 H -5.990 -13.111 -4.032 1.00 . A A . 11 GLU HG2 1 1 5 1805 1 1 11 GLU HG3 H -5.911 -11.713 -5.108 1.00 . A A . 11 GLU HG3 1 1 5 1806 1 1 11 GLU N N -5.389 -9.637 -1.724 1.00 . A A . 11 GLU N 1 1 5 1807 1 1 11 GLU O O -7.802 -12.257 -2.272 1.00 . A A . 11 GLU O 1 1 5 1808 1 1 11 GLU OE1 O -3.889 -14.114 -4.919 1.00 . A A . 11 GLU OE1 1 1 5 1809 1 1 11 GLU OE2 O -3.514 -12.208 -5.894 1.00 . A A . 11 GLU OE2 1 1 5 1810 1 1 12 THR C C -8.791 -11.764 0.832 1.00 . A A . 12 THR C 1 1 5 1811 1 1 12 THR CA C -7.464 -12.431 0.431 1.00 . A A . 12 THR CA 1 1 5 1812 1 1 12 THR CB C -6.616 -12.747 1.675 1.00 . A A . 12 THR CB 1 1 5 1813 1 1 12 THR CG2 C -7.250 -13.849 2.501 1.00 . A A . 12 THR CG2 1 1 5 1814 1 1 12 THR H H -6.074 -10.957 -0.045 1.00 . A A . 12 THR H 1 1 5 1815 1 1 12 THR HA H -7.670 -13.353 -0.089 1.00 . A A . 12 THR HA 1 1 5 1816 1 1 12 THR HB H -6.519 -11.851 2.271 1.00 . A A . 12 THR HB 1 1 5 1817 1 1 12 THR HG1 H -5.434 -13.804 0.507 1.00 . A A . 12 THR HG1 1 1 5 1818 1 1 12 THR HG21 H -8.246 -13.549 2.791 1.00 . A A . 12 THR HG21 1 1 5 1819 1 1 12 THR HG22 H -6.656 -14.021 3.386 1.00 . A A . 12 THR HG22 1 1 5 1820 1 1 12 THR HG23 H -7.301 -14.756 1.916 1.00 . A A . 12 THR HG23 1 1 5 1821 1 1 12 THR N N -6.726 -11.578 -0.440 1.00 . A A . 12 THR N 1 1 5 1822 1 1 12 THR O O -9.841 -12.402 0.850 1.00 . A A . 12 THR O 1 1 5 1823 1 1 12 THR OG1 O -5.305 -13.185 1.241 1.00 . A A . 12 THR OG1 1 1 5 1824 1 1 13 SER C C -10.611 -9.102 0.359 1.00 . A A . 13 SER C 1 1 5 1825 1 1 13 SER CA C -9.896 -9.748 1.543 1.00 . A A . 13 SER CA 1 1 5 1826 1 1 13 SER CB C -9.441 -8.669 2.507 1.00 . A A . 13 SER CB 1 1 5 1827 1 1 13 SER H H -7.859 -10.038 1.077 1.00 . A A . 13 SER H 1 1 5 1828 1 1 13 SER HA H -10.575 -10.399 2.062 1.00 . A A . 13 SER HA 1 1 5 1829 1 1 13 SER HB2 H -8.988 -7.877 1.935 1.00 . A A . 13 SER HB2 1 1 5 1830 1 1 13 SER HB3 H -10.289 -8.287 3.056 1.00 . A A . 13 SER HB3 1 1 5 1831 1 1 13 SER HG H -7.688 -9.371 2.900 1.00 . A A . 13 SER HG 1 1 5 1832 1 1 13 SER N N -8.735 -10.493 1.113 1.00 . A A . 13 SER N 1 1 5 1833 1 1 13 SER O O -11.806 -8.805 0.428 1.00 . A A . 13 SER O 1 1 5 1834 1 1 13 SER OG O -8.489 -9.196 3.423 1.00 . A A . 13 SER OG 1 1 5 1835 1 1 14 GLY C C -10.461 -6.727 -1.559 1.00 . A A . 14 GLY C 1 1 5 1836 1 1 14 GLY CA C -10.403 -8.198 -1.865 1.00 . A A . 14 GLY CA 1 1 5 1837 1 1 14 GLY H H -8.946 -9.211 -0.756 1.00 . A A . 14 GLY H 1 1 5 1838 1 1 14 GLY HA2 H -9.753 -8.365 -2.711 1.00 . A A . 14 GLY HA2 1 1 5 1839 1 1 14 GLY HA3 H -11.399 -8.552 -2.088 1.00 . A A . 14 GLY HA3 1 1 5 1840 1 1 14 GLY N N -9.878 -8.899 -0.721 1.00 . A A . 14 GLY N 1 1 5 1841 1 1 14 GLY O O -11.337 -5.998 -2.049 1.00 . A A . 14 GLY O 1 1 5 1842 1 1 15 ALA C C -8.192 -4.200 -0.515 1.00 . A A . 15 ALA C 1 1 5 1843 1 1 15 ALA CA C -9.513 -4.922 -0.257 1.00 . A A . 15 ALA CA 1 1 5 1844 1 1 15 ALA CB C -9.846 -4.907 1.225 1.00 . A A . 15 ALA CB 1 1 5 1845 1 1 15 ALA H H -8.785 -6.903 -0.529 1.00 . A A . 15 ALA H 1 1 5 1846 1 1 15 ALA HA H -10.303 -4.398 -0.773 1.00 . A A . 15 ALA HA 1 1 5 1847 1 1 15 ALA HB1 H -9.938 -3.886 1.561 1.00 . A A . 15 ALA HB1 1 1 5 1848 1 1 15 ALA HB2 H -9.055 -5.396 1.775 1.00 . A A . 15 ALA HB2 1 1 5 1849 1 1 15 ALA HB3 H -10.778 -5.428 1.393 1.00 . A A . 15 ALA HB3 1 1 5 1850 1 1 15 ALA N N -9.514 -6.282 -0.751 1.00 . A A . 15 ALA N 1 1 5 1851 1 1 15 ALA O O -7.153 -4.552 0.055 1.00 . A A . 15 ALA O 1 1 5 1852 1 1 16 LYS C C -6.929 -1.312 -0.633 1.00 . A A . 16 LYS C 1 1 5 1853 1 1 16 LYS CA C -7.106 -2.380 -1.681 1.00 . A A . 16 LYS CA 1 1 5 1854 1 1 16 LYS CB C -7.221 -1.719 -3.071 1.00 . A A . 16 LYS CB 1 1 5 1855 1 1 16 LYS CD C -6.977 -1.909 -5.589 1.00 . A A . 16 LYS CD 1 1 5 1856 1 1 16 LYS CE C -8.440 -1.745 -5.992 1.00 . A A . 16 LYS CE 1 1 5 1857 1 1 16 LYS CG C -6.810 -2.603 -4.238 1.00 . A A . 16 LYS CG 1 1 5 1858 1 1 16 LYS H H -9.068 -3.067 -1.880 1.00 . A A . 16 LYS H 1 1 5 1859 1 1 16 LYS HA H -6.225 -3.004 -1.679 1.00 . A A . 16 LYS HA 1 1 5 1860 1 1 16 LYS HB2 H -8.248 -1.427 -3.219 1.00 . A A . 16 LYS HB2 1 1 5 1861 1 1 16 LYS HB3 H -6.606 -0.833 -3.077 1.00 . A A . 16 LYS HB3 1 1 5 1862 1 1 16 LYS HD2 H -6.527 -0.930 -5.530 1.00 . A A . 16 LYS HD2 1 1 5 1863 1 1 16 LYS HD3 H -6.465 -2.487 -6.344 1.00 . A A . 16 LYS HD3 1 1 5 1864 1 1 16 LYS HE2 H -8.965 -1.217 -5.212 1.00 . A A . 16 LYS HE2 1 1 5 1865 1 1 16 LYS HE3 H -8.480 -1.161 -6.900 1.00 . A A . 16 LYS HE3 1 1 5 1866 1 1 16 LYS HG2 H -5.766 -2.854 -4.117 1.00 . A A . 16 LYS HG2 1 1 5 1867 1 1 16 LYS HG3 H -7.396 -3.509 -4.222 1.00 . A A . 16 LYS HG3 1 1 5 1868 1 1 16 LYS HZ1 H -10.124 -2.898 -6.434 1.00 . A A . 16 LYS HZ1 1 1 5 1869 1 1 16 LYS HZ2 H -9.043 -3.684 -5.415 1.00 . A A . 16 LYS HZ2 1 1 5 1870 1 1 16 LYS HZ3 H -8.700 -3.532 -7.053 1.00 . A A . 16 LYS HZ3 1 1 5 1871 1 1 16 LYS N N -8.235 -3.222 -1.389 1.00 . A A . 16 LYS N 1 1 5 1872 1 1 16 LYS NZ N -9.114 -3.044 -6.233 1.00 . A A . 16 LYS NZ 1 1 5 1873 1 1 16 LYS O O -7.821 -0.488 -0.404 1.00 . A A . 16 LYS O 1 1 5 1874 1 1 17 THR C C -4.623 0.687 0.139 1.00 . A A . 17 THR C 1 1 5 1875 1 1 17 THR CA C -5.440 -0.311 0.931 1.00 . A A . 17 THR CA 1 1 5 1876 1 1 17 THR CB C -4.635 -0.870 2.157 1.00 . A A . 17 THR CB 1 1 5 1877 1 1 17 THR CG2 C -3.338 -1.555 1.731 1.00 . A A . 17 THR CG2 1 1 5 1878 1 1 17 THR H H -5.167 -2.060 -0.188 1.00 . A A . 17 THR H 1 1 5 1879 1 1 17 THR HA H -6.349 0.168 1.266 1.00 . A A . 17 THR HA 1 1 5 1880 1 1 17 THR HB H -5.266 -1.589 2.654 1.00 . A A . 17 THR HB 1 1 5 1881 1 1 17 THR HG1 H -4.100 -0.292 3.924 1.00 . A A . 17 THR HG1 1 1 5 1882 1 1 17 THR HG21 H -2.822 -1.924 2.605 1.00 . A A . 17 THR HG21 1 1 5 1883 1 1 17 THR HG22 H -2.710 -0.845 1.215 1.00 . A A . 17 THR HG22 1 1 5 1884 1 1 17 THR HG23 H -3.566 -2.378 1.071 1.00 . A A . 17 THR HG23 1 1 5 1885 1 1 17 THR N N -5.801 -1.336 0.005 1.00 . A A . 17 THR N 1 1 5 1886 1 1 17 THR O O -3.898 0.299 -0.795 1.00 . A A . 17 THR O 1 1 5 1887 1 1 17 THR OG1 O -4.339 0.173 3.110 1.00 . A A . 17 THR OG1 1 1 5 1888 1 1 18 CYS C C -3.296 3.845 0.531 1.00 . A A . 18 CYS C 1 1 5 1889 1 1 18 CYS CA C -4.091 2.930 -0.336 1.00 . A A . 18 CYS CA 1 1 5 1890 1 1 18 CYS CB C -5.101 3.728 -1.139 1.00 . A A . 18 CYS CB 1 1 5 1891 1 1 18 CYS H H -5.269 2.192 1.235 1.00 . A A . 18 CYS H 1 1 5 1892 1 1 18 CYS HA H -3.423 2.438 -1.026 1.00 . A A . 18 CYS HA 1 1 5 1893 1 1 18 CYS HB2 H -5.665 4.321 -0.439 1.00 . A A . 18 CYS HB2 1 1 5 1894 1 1 18 CYS HB3 H -4.577 4.417 -1.787 1.00 . A A . 18 CYS HB3 1 1 5 1895 1 1 18 CYS N N -4.748 1.928 0.447 1.00 . A A . 18 CYS N 1 1 5 1896 1 1 18 CYS O O -3.521 3.935 1.741 1.00 . A A . 18 CYS O 1 1 5 1897 1 1 18 CYS SG S -6.236 2.712 -2.162 1.00 . A A . 18 CYS SG 1 1 5 1898 1 1 19 VAL C C -1.548 6.764 -0.201 1.00 . A A . 19 VAL C 1 1 5 1899 1 1 19 VAL CA C -1.541 5.445 0.588 1.00 . A A . 19 VAL CA 1 1 5 1900 1 1 19 VAL CB C -0.092 4.891 0.810 1.00 . A A . 19 VAL CB 1 1 5 1901 1 1 19 VAL CG1 C 0.589 4.484 -0.494 1.00 . A A . 19 VAL CG1 1 1 5 1902 1 1 19 VAL CG2 C 0.761 5.880 1.579 1.00 . A A . 19 VAL CG2 1 1 5 1903 1 1 19 VAL H H -2.274 4.350 -1.038 1.00 . A A . 19 VAL H 1 1 5 1904 1 1 19 VAL HA H -2.000 5.626 1.549 1.00 . A A . 19 VAL HA 1 1 5 1905 1 1 19 VAL HB H -0.187 3.997 1.410 1.00 . A A . 19 VAL HB 1 1 5 1906 1 1 19 VAL HG11 H 0.015 3.704 -0.971 1.00 . A A . 19 VAL HG11 1 1 5 1907 1 1 19 VAL HG12 H 1.585 4.124 -0.284 1.00 . A A . 19 VAL HG12 1 1 5 1908 1 1 19 VAL HG13 H 0.648 5.341 -1.149 1.00 . A A . 19 VAL HG13 1 1 5 1909 1 1 19 VAL HG21 H 0.824 6.805 1.026 1.00 . A A . 19 VAL HG21 1 1 5 1910 1 1 19 VAL HG22 H 1.752 5.472 1.711 1.00 . A A . 19 VAL HG22 1 1 5 1911 1 1 19 VAL HG23 H 0.317 6.069 2.545 1.00 . A A . 19 VAL HG23 1 1 5 1912 1 1 19 VAL N N -2.377 4.505 -0.072 1.00 . A A . 19 VAL N 1 1 5 1913 1 1 19 VAL O O -1.217 6.781 -1.384 1.00 . A A . 19 VAL O 1 1 5 1914 1 1 20 PRO C C -3.867 7.205 1.927 1.00 . A A . 20 PRO C 1 1 5 1915 1 1 20 PRO CA C -2.500 7.880 1.800 1.00 . A A . 20 PRO CA 1 1 5 1916 1 1 20 PRO CB C -2.633 9.364 2.110 1.00 . A A . 20 PRO CB 1 1 5 1917 1 1 20 PRO CD C -2.087 9.203 -0.197 1.00 . A A . 20 PRO CD 1 1 5 1918 1 1 20 PRO CG C -2.890 9.994 0.794 1.00 . A A . 20 PRO CG 1 1 5 1919 1 1 20 PRO HA H -1.799 7.425 2.484 1.00 . A A . 20 PRO HA 1 1 5 1920 1 1 20 PRO HB2 H -3.461 9.510 2.789 1.00 . A A . 20 PRO HB2 1 1 5 1921 1 1 20 PRO HB3 H -1.717 9.724 2.554 1.00 . A A . 20 PRO HB3 1 1 5 1922 1 1 20 PRO HD2 H -2.590 9.158 -1.151 1.00 . A A . 20 PRO HD2 1 1 5 1923 1 1 20 PRO HD3 H -1.104 9.634 -0.313 1.00 . A A . 20 PRO HD3 1 1 5 1924 1 1 20 PRO HG2 H -3.945 9.937 0.576 1.00 . A A . 20 PRO HG2 1 1 5 1925 1 1 20 PRO HG3 H -2.578 11.026 0.802 1.00 . A A . 20 PRO HG3 1 1 5 1926 1 1 20 PRO N N -2.002 7.871 0.417 1.00 . A A . 20 PRO N 1 1 5 1927 1 1 20 PRO O O -4.545 6.942 0.921 1.00 . A A . 20 PRO O 1 1 5 1928 1 1 21 ASP C C -6.663 7.117 2.912 1.00 . A A . 21 ASP C 1 1 5 1929 1 1 21 ASP CA C -5.517 6.277 3.429 1.00 . A A . 21 ASP CA 1 1 5 1930 1 1 21 ASP CB C -5.680 6.031 4.926 1.00 . A A . 21 ASP CB 1 1 5 1931 1 1 21 ASP CG C -7.013 5.422 5.279 1.00 . A A . 21 ASP CG 1 1 5 1932 1 1 21 ASP H H -3.661 7.184 3.885 1.00 . A A . 21 ASP H 1 1 5 1933 1 1 21 ASP HA H -5.523 5.327 2.915 1.00 . A A . 21 ASP HA 1 1 5 1934 1 1 21 ASP HB2 H -4.903 5.364 5.271 1.00 . A A . 21 ASP HB2 1 1 5 1935 1 1 21 ASP HB3 H -5.594 6.978 5.435 1.00 . A A . 21 ASP HB3 1 1 5 1936 1 1 21 ASP N N -4.252 6.926 3.146 1.00 . A A . 21 ASP N 1 1 5 1937 1 1 21 ASP O O -6.729 8.328 3.183 1.00 . A A . 21 ASP O 1 1 5 1938 1 1 21 ASP OD1 O -7.910 6.162 5.753 1.00 . A A . 21 ASP OD1 1 1 5 1939 1 1 21 ASP OD2 O -7.199 4.197 5.085 1.00 . A A . 21 ASP OD2 1 1 5 1940 1 1 22 ASN C C -8.308 8.112 0.461 1.00 . A A . 22 ASN C 1 1 5 1941 1 1 22 ASN CA C -8.679 7.098 1.542 1.00 . A A . 22 ASN CA 1 1 5 1942 1 1 22 ASN CB C -9.640 7.692 2.572 1.00 . A A . 22 ASN CB 1 1 5 1943 1 1 22 ASN CG C -10.581 6.664 3.183 1.00 . A A . 22 ASN CG 1 1 5 1944 1 1 22 ASN H H -7.442 5.518 2.000 1.00 . A A . 22 ASN H 1 1 5 1945 1 1 22 ASN HA H -9.200 6.299 1.038 1.00 . A A . 22 ASN HA 1 1 5 1946 1 1 22 ASN HB2 H -9.080 8.173 3.360 1.00 . A A . 22 ASN HB2 1 1 5 1947 1 1 22 ASN HB3 H -10.220 8.420 2.037 1.00 . A A . 22 ASN HB3 1 1 5 1948 1 1 22 ASN HD21 H -9.336 6.254 4.703 1.00 . A A . 22 ASN HD21 1 1 5 1949 1 1 22 ASN HD22 H -10.830 5.406 4.672 1.00 . A A . 22 ASN HD22 1 1 5 1950 1 1 22 ASN N N -7.538 6.476 2.157 1.00 . A A . 22 ASN N 1 1 5 1951 1 1 22 ASN ND2 N -10.206 6.056 4.281 1.00 . A A . 22 ASN ND2 1 1 5 1952 1 1 22 ASN O O -9.069 9.048 0.200 1.00 . A A . 22 ASN O 1 1 5 1953 1 1 22 ASN OD1 O -11.660 6.433 2.657 1.00 . A A . 22 ASN OD1 1 1 5 1954 1 1 23 CYS C C -7.740 8.543 -2.508 1.00 . A A . 23 CYS C 1 1 5 1955 1 1 23 CYS CA C -6.804 8.787 -1.336 1.00 . A A . 23 CYS CA 1 1 5 1956 1 1 23 CYS CB C -5.336 8.631 -1.761 1.00 . A A . 23 CYS CB 1 1 5 1957 1 1 23 CYS H H -6.523 7.209 0.047 1.00 . A A . 23 CYS H 1 1 5 1958 1 1 23 CYS HA H -6.978 9.795 -1.002 1.00 . A A . 23 CYS HA 1 1 5 1959 1 1 23 CYS HB2 H -5.145 9.270 -2.610 1.00 . A A . 23 CYS HB2 1 1 5 1960 1 1 23 CYS HB3 H -4.707 8.941 -0.941 1.00 . A A . 23 CYS HB3 1 1 5 1961 1 1 23 CYS N N -7.159 7.916 -0.211 1.00 . A A . 23 CYS N 1 1 5 1962 1 1 23 CYS O O -8.003 9.438 -3.317 1.00 . A A . 23 CYS O 1 1 5 1963 1 1 23 CYS SG S -4.833 6.939 -2.232 1.00 . A A . 23 CYS SG 1 1 5 1964 1 1 24 ASP C C -10.571 6.978 -2.973 1.00 . A A . 24 ASP C 1 1 5 1965 1 1 24 ASP CA C -9.203 6.981 -3.588 1.00 . A A . 24 ASP CA 1 1 5 1966 1 1 24 ASP CB C -8.907 5.634 -4.259 1.00 . A A . 24 ASP CB 1 1 5 1967 1 1 24 ASP CG C -9.835 5.377 -5.442 1.00 . A A . 24 ASP CG 1 1 5 1968 1 1 24 ASP H H -8.003 6.703 -1.887 1.00 . A A . 24 ASP H 1 1 5 1969 1 1 24 ASP HA H -9.185 7.764 -4.331 1.00 . A A . 24 ASP HA 1 1 5 1970 1 1 24 ASP HB2 H -7.886 5.627 -4.614 1.00 . A A . 24 ASP HB2 1 1 5 1971 1 1 24 ASP HB3 H -9.043 4.840 -3.540 1.00 . A A . 24 ASP HB3 1 1 5 1972 1 1 24 ASP N N -8.251 7.345 -2.581 1.00 . A A . 24 ASP N 1 1 5 1973 1 1 24 ASP O O -11.041 5.964 -2.437 1.00 . A A . 24 ASP O 1 1 5 1974 1 1 24 ASP OD1 O -10.928 4.788 -5.271 1.00 . A A . 24 ASP OD1 1 1 5 1975 1 1 24 ASP OD2 O -9.496 5.778 -6.574 1.00 . A A . 24 ASP OD2 1 1 5 1976 1 1 25 ALA C C -13.174 9.344 -3.243 1.00 . A A . 25 ALA C 1 1 5 1977 1 1 25 ALA CA C -12.479 8.288 -2.425 1.00 . A A . 25 ALA CA 1 1 5 1978 1 1 25 ALA CB C -12.498 8.634 -0.940 1.00 . A A . 25 ALA CB 1 1 5 1979 1 1 25 ALA H H -10.603 8.901 -3.180 1.00 . A A . 25 ALA H 1 1 5 1980 1 1 25 ALA HA H -12.994 7.349 -2.572 1.00 . A A . 25 ALA HA 1 1 5 1981 1 1 25 ALA HB1 H -11.991 7.860 -0.383 1.00 . A A . 25 ALA HB1 1 1 5 1982 1 1 25 ALA HB2 H -13.520 8.711 -0.601 1.00 . A A . 25 ALA HB2 1 1 5 1983 1 1 25 ALA HB3 H -11.996 9.577 -0.783 1.00 . A A . 25 ALA HB3 1 1 5 1984 1 1 25 ALA N N -11.137 8.124 -2.910 1.00 . A A . 25 ALA N 1 1 5 1985 1 1 25 ALA O O -12.991 10.546 -3.022 1.00 . A A . 25 ALA O 1 1 5 1986 1 1 26 SER C C -16.000 10.024 -4.570 1.00 . A A . 26 SER C 1 1 5 1987 1 1 26 SER CA C -14.603 9.785 -5.102 1.00 . A A . 26 SER CA 1 1 5 1988 1 1 26 SER CB C -14.663 9.187 -6.512 1.00 . A A . 26 SER CB 1 1 5 1989 1 1 26 SER H H -13.959 7.936 -4.387 1.00 . A A . 26 SER H 1 1 5 1990 1 1 26 SER HA H -14.068 10.722 -5.146 1.00 . A A . 26 SER HA 1 1 5 1991 1 1 26 SER HB2 H -13.662 8.996 -6.867 1.00 . A A . 26 SER HB2 1 1 5 1992 1 1 26 SER HB3 H -15.211 8.258 -6.474 1.00 . A A . 26 SER HB3 1 1 5 1993 1 1 26 SER HG H -15.646 9.517 -8.155 1.00 . A A . 26 SER HG 1 1 5 1994 1 1 26 SER N N -13.897 8.903 -4.230 1.00 . A A . 26 SER N 1 1 5 1995 1 1 26 SER O O -16.736 9.073 -4.282 1.00 . A A . 26 SER O 1 1 5 1996 1 1 26 SER OG O -15.312 10.061 -7.429 1.00 . A A . 26 SER OG 1 1 5 1997 1 1 27 ARG C C -18.595 11.798 -5.209 1.00 . A A . 27 ARG C 1 1 5 1998 1 1 27 ARG CA C -17.695 11.636 -3.988 1.00 . A A . 27 ARG CA 1 1 5 1999 1 1 27 ARG CB C -17.681 12.935 -3.162 1.00 . A A . 27 ARG CB 1 1 5 2000 1 1 27 ARG CD C -17.359 15.431 -3.095 1.00 . A A . 27 ARG CD 1 1 5 2001 1 1 27 ARG CG C -17.281 14.179 -3.946 1.00 . A A . 27 ARG CG 1 1 5 2002 1 1 27 ARG CZ C -16.191 16.445 -1.145 1.00 . A A . 27 ARG CZ 1 1 5 2003 1 1 27 ARG H H -15.719 11.981 -4.665 1.00 . A A . 27 ARG H 1 1 5 2004 1 1 27 ARG HA H -18.071 10.824 -3.384 1.00 . A A . 27 ARG HA 1 1 5 2005 1 1 27 ARG HB2 H -18.668 13.097 -2.758 1.00 . A A . 27 ARG HB2 1 1 5 2006 1 1 27 ARG HB3 H -16.988 12.816 -2.341 1.00 . A A . 27 ARG HB3 1 1 5 2007 1 1 27 ARG HD2 H -17.187 16.292 -3.723 1.00 . A A . 27 ARG HD2 1 1 5 2008 1 1 27 ARG HD3 H -18.351 15.496 -2.674 1.00 . A A . 27 ARG HD3 1 1 5 2009 1 1 27 ARG HE H -15.837 14.611 -1.916 1.00 . A A . 27 ARG HE 1 1 5 2010 1 1 27 ARG HG2 H -16.263 14.061 -4.288 1.00 . A A . 27 ARG HG2 1 1 5 2011 1 1 27 ARG HG3 H -17.938 14.283 -4.796 1.00 . A A . 27 ARG HG3 1 1 5 2012 1 1 27 ARG HH11 H -17.602 17.700 -1.966 1.00 . A A . 27 ARG HH11 1 1 5 2013 1 1 27 ARG HH12 H -16.796 18.336 -0.628 1.00 . A A . 27 ARG HH12 1 1 5 2014 1 1 27 ARG HH21 H -14.727 15.514 -0.055 1.00 . A A . 27 ARG HH21 1 1 5 2015 1 1 27 ARG HH22 H -15.110 17.075 0.478 1.00 . A A . 27 ARG HH22 1 1 5 2016 1 1 27 ARG N N -16.364 11.278 -4.435 1.00 . A A . 27 ARG N 1 1 5 2017 1 1 27 ARG NE N -16.379 15.431 -2.000 1.00 . A A . 27 ARG NE 1 1 5 2018 1 1 27 ARG NH1 N -16.907 17.561 -1.257 1.00 . A A . 27 ARG NH1 1 1 5 2019 1 1 27 ARG NH2 N -15.286 16.338 -0.181 1.00 . A A . 27 ARG NH2 1 1 5 2020 1 1 27 ARG O O -19.822 11.769 -5.112 1.00 . A A . 27 ARG O 1 1 5 2021 1 1 28 GLY C C -18.015 13.155 -8.455 1.00 . A A . 28 GLY C 1 1 5 2022 1 1 28 GLY CA C -18.671 12.114 -7.585 1.00 . A A . 28 GLY CA 1 1 5 2023 1 1 28 GLY H H -16.982 11.966 -6.360 1.00 . A A . 28 GLY H 1 1 5 2024 1 1 28 GLY HA2 H -18.694 11.169 -8.106 1.00 . A A . 28 GLY HA2 1 1 5 2025 1 1 28 GLY HA3 H -19.682 12.427 -7.369 1.00 . A A . 28 GLY HA3 1 1 5 2026 1 1 28 GLY N N -17.965 11.951 -6.354 1.00 . A A . 28 GLY N 1 1 5 2027 1 1 28 GLY O O -17.583 14.211 -7.958 1.00 . A A . 28 GLY O 1 1 5 2028 1 1 29 THR C C -18.406 14.829 -11.029 1.00 . A A . 29 THR C 1 1 5 2029 1 1 29 THR CA C -17.340 13.793 -10.668 1.00 . A A . 29 THR CA 1 1 5 2030 1 1 29 THR CB C -16.856 13.048 -11.938 1.00 . A A . 29 THR CB 1 1 5 2031 1 1 29 THR CG2 C -16.048 13.979 -12.837 1.00 . A A . 29 THR CG2 1 1 5 2032 1 1 29 THR H H -18.278 12.018 -10.046 1.00 . A A . 29 THR H 1 1 5 2033 1 1 29 THR HA H -16.507 14.290 -10.196 1.00 . A A . 29 THR HA 1 1 5 2034 1 1 29 THR HB H -17.715 12.681 -12.479 1.00 . A A . 29 THR HB 1 1 5 2035 1 1 29 THR HG1 H -16.491 11.436 -10.868 1.00 . A A . 29 THR HG1 1 1 5 2036 1 1 29 THR HG21 H -15.182 14.336 -12.299 1.00 . A A . 29 THR HG21 1 1 5 2037 1 1 29 THR HG22 H -16.660 14.821 -13.127 1.00 . A A . 29 THR HG22 1 1 5 2038 1 1 29 THR HG23 H -15.730 13.443 -13.718 1.00 . A A . 29 THR HG23 1 1 5 2039 1 1 29 THR N N -17.917 12.872 -9.725 1.00 . A A . 29 THR N 1 1 5 2040 1 1 29 THR O O -19.533 14.467 -11.370 1.00 . A A . 29 THR O 1 1 5 2041 1 1 29 THR OG1 O -16.017 11.930 -11.551 1.00 . A A . 29 THR OG1 1 1 5 2042 1 1 30 ASN C C -18.360 18.200 -12.050 1.00 . A A . 30 ASN C 1 1 5 2043 1 1 30 ASN CA C -19.009 17.163 -11.144 1.00 . A A . 30 ASN CA 1 1 5 2044 1 1 30 ASN CB C -19.395 17.796 -9.782 1.00 . A A . 30 ASN CB 1 1 5 2045 1 1 30 ASN CG C -18.209 18.415 -9.047 1.00 . A A . 30 ASN CG 1 1 5 2046 1 1 30 ASN H H -17.139 16.314 -10.706 1.00 . A A . 30 ASN H 1 1 5 2047 1 1 30 ASN HA H -19.892 16.758 -11.614 1.00 . A A . 30 ASN HA 1 1 5 2048 1 1 30 ASN HB2 H -20.128 18.572 -9.948 1.00 . A A . 30 ASN HB2 1 1 5 2049 1 1 30 ASN HB3 H -19.826 17.031 -9.153 1.00 . A A . 30 ASN HB3 1 1 5 2050 1 1 30 ASN HD21 H -18.625 20.205 -9.769 1.00 . A A . 30 ASN HD21 1 1 5 2051 1 1 30 ASN HD22 H -17.252 20.122 -8.746 1.00 . A A . 30 ASN HD22 1 1 5 2052 1 1 30 ASN N N -18.068 16.079 -10.923 1.00 . A A . 30 ASN N 1 1 5 2053 1 1 30 ASN ND2 N -18.011 19.695 -9.199 1.00 . A A . 30 ASN ND2 1 1 5 2054 1 1 30 ASN O O -17.144 18.144 -12.254 1.00 . A A . 30 ASN O 1 1 5 2055 1 1 30 ASN OD1 O -17.497 17.732 -8.318 1.00 . A A . 30 ASN OD1 1 1 5 2056 1 1 31 PRO C C -17.931 21.257 -12.576 1.00 . A A . 31 PRO C 1 1 5 2057 1 1 31 PRO CA C -18.557 20.183 -13.463 1.00 . A A . 31 PRO CA 1 1 5 2058 1 1 31 PRO CB C -19.767 20.748 -14.245 1.00 . A A . 31 PRO CB 1 1 5 2059 1 1 31 PRO CD C -20.594 19.206 -12.616 1.00 . A A . 31 PRO CD 1 1 5 2060 1 1 31 PRO CG C -20.909 19.833 -13.937 1.00 . A A . 31 PRO CG 1 1 5 2061 1 1 31 PRO HA H -17.810 19.806 -14.144 1.00 . A A . 31 PRO HA 1 1 5 2062 1 1 31 PRO HB2 H -19.967 21.755 -13.912 1.00 . A A . 31 PRO HB2 1 1 5 2063 1 1 31 PRO HB3 H -19.544 20.757 -15.301 1.00 . A A . 31 PRO HB3 1 1 5 2064 1 1 31 PRO HD2 H -20.931 19.839 -11.808 1.00 . A A . 31 PRO HD2 1 1 5 2065 1 1 31 PRO HD3 H -21.038 18.225 -12.546 1.00 . A A . 31 PRO HD3 1 1 5 2066 1 1 31 PRO HG2 H -21.829 20.396 -13.875 1.00 . A A . 31 PRO HG2 1 1 5 2067 1 1 31 PRO HG3 H -20.988 19.075 -14.702 1.00 . A A . 31 PRO HG3 1 1 5 2068 1 1 31 PRO N N -19.126 19.122 -12.649 1.00 . A A . 31 PRO N 1 1 5 2069 1 1 31 PRO O O -18.633 22.205 -12.176 1.00 . A A . 31 PRO O 1 1 5 2070 1 1 31 PRO OXT O -16.743 21.141 -12.238 1.00 . A A . 31 PRO OXT 1 1 6 2071 1 1 1 ASP C C 3.206 13.409 4.972 1.00 . A A . 1 ASP C 1 1 6 2072 1 1 1 ASP CA C 3.575 13.609 6.413 1.00 . A A . 1 ASP CA 1 1 6 2073 1 1 1 ASP CB C 4.237 12.328 6.940 1.00 . A A . 1 ASP CB 1 1 6 2074 1 1 1 ASP CG C 3.406 11.105 6.665 1.00 . A A . 1 ASP CG 1 1 6 2075 1 1 1 ASP H1 H 1.899 14.748 6.751 1.00 . A A . 1 ASP H1 1 1 6 2076 1 1 1 ASP H2 H 2.511 14.053 8.165 1.00 . A A . 1 ASP H2 1 1 6 2077 1 1 1 ASP H3 H 1.674 13.111 7.023 1.00 . A A . 1 ASP H3 1 1 6 2078 1 1 1 ASP HA H 4.252 14.445 6.506 1.00 . A A . 1 ASP HA 1 1 6 2079 1 1 1 ASP HB2 H 5.195 12.198 6.460 1.00 . A A . 1 ASP HB2 1 1 6 2080 1 1 1 ASP HB3 H 4.381 12.413 8.007 1.00 . A A . 1 ASP HB3 1 1 6 2081 1 1 1 ASP N N 2.343 13.898 7.151 1.00 . A A . 1 ASP N 1 1 6 2082 1 1 1 ASP O O 2.017 13.397 4.639 1.00 . A A . 1 ASP O 1 1 6 2083 1 1 1 ASP OD1 O 3.781 10.292 5.796 1.00 . A A . 1 ASP OD1 1 1 6 2084 1 1 1 ASP OD2 O 2.343 10.956 7.290 1.00 . A A . 1 ASP OD2 1 1 6 2085 1 1 2 VAL C C 4.046 11.548 2.420 1.00 . A A . 2 VAL C 1 1 6 2086 1 1 2 VAL CA C 3.935 13.036 2.717 1.00 . A A . 2 VAL CA 1 1 6 2087 1 1 2 VAL CB C 4.927 13.830 1.816 1.00 . A A . 2 VAL CB 1 1 6 2088 1 1 2 VAL CG1 C 4.621 13.611 0.336 1.00 . A A . 2 VAL CG1 1 1 6 2089 1 1 2 VAL CG2 C 4.889 15.317 2.151 1.00 . A A . 2 VAL CG2 1 1 6 2090 1 1 2 VAL H H 5.121 13.264 4.428 1.00 . A A . 2 VAL H 1 1 6 2091 1 1 2 VAL HA H 2.926 13.362 2.507 1.00 . A A . 2 VAL HA 1 1 6 2092 1 1 2 VAL HB H 5.923 13.462 2.011 1.00 . A A . 2 VAL HB 1 1 6 2093 1 1 2 VAL HG11 H 3.616 13.944 0.125 1.00 . A A . 2 VAL HG11 1 1 6 2094 1 1 2 VAL HG12 H 4.708 12.561 0.103 1.00 . A A . 2 VAL HG12 1 1 6 2095 1 1 2 VAL HG13 H 5.322 14.174 -0.265 1.00 . A A . 2 VAL HG13 1 1 6 2096 1 1 2 VAL HG21 H 3.891 15.696 1.987 1.00 . A A . 2 VAL HG21 1 1 6 2097 1 1 2 VAL HG22 H 5.585 15.849 1.519 1.00 . A A . 2 VAL HG22 1 1 6 2098 1 1 2 VAL HG23 H 5.160 15.459 3.187 1.00 . A A . 2 VAL HG23 1 1 6 2099 1 1 2 VAL N N 4.187 13.256 4.119 1.00 . A A . 2 VAL N 1 1 6 2100 1 1 2 VAL O O 5.146 10.991 2.393 1.00 . A A . 2 VAL O 1 1 6 2101 1 1 3 SER C C 2.611 9.292 0.471 1.00 . A A . 3 SER C 1 1 6 2102 1 1 3 SER CA C 2.906 9.504 1.957 1.00 . A A . 3 SER CA 1 1 6 2103 1 1 3 SER CB C 1.826 8.825 2.788 1.00 . A A . 3 SER CB 1 1 6 2104 1 1 3 SER H H 2.075 11.388 2.311 1.00 . A A . 3 SER H 1 1 6 2105 1 1 3 SER HA H 3.865 9.084 2.221 1.00 . A A . 3 SER HA 1 1 6 2106 1 1 3 SER HB2 H 0.862 9.214 2.497 1.00 . A A . 3 SER HB2 1 1 6 2107 1 1 3 SER HB3 H 1.854 7.759 2.616 1.00 . A A . 3 SER HB3 1 1 6 2108 1 1 3 SER HG H 2.811 9.595 4.330 1.00 . A A . 3 SER HG 1 1 6 2109 1 1 3 SER N N 2.929 10.909 2.254 1.00 . A A . 3 SER N 1 1 6 2110 1 1 3 SER O O 1.712 9.945 -0.079 1.00 . A A . 3 SER O 1 1 6 2111 1 1 3 SER OG O 2.008 9.074 4.169 1.00 . A A . 3 SER OG 1 1 6 2112 1 1 4 PRO C C 1.795 7.307 -1.692 1.00 . A A . 4 PRO C 1 1 6 2113 1 1 4 PRO CA C 3.102 8.084 -1.605 1.00 . A A . 4 PRO CA 1 1 6 2114 1 1 4 PRO CB C 4.278 7.189 -2.018 1.00 . A A . 4 PRO CB 1 1 6 2115 1 1 4 PRO CD C 4.573 7.737 0.288 1.00 . A A . 4 PRO CD 1 1 6 2116 1 1 4 PRO CG C 5.317 7.401 -0.969 1.00 . A A . 4 PRO CG 1 1 6 2117 1 1 4 PRO HA H 3.050 8.964 -2.230 1.00 . A A . 4 PRO HA 1 1 6 2118 1 1 4 PRO HB2 H 3.946 6.162 -2.051 1.00 . A A . 4 PRO HB2 1 1 6 2119 1 1 4 PRO HB3 H 4.626 7.492 -2.994 1.00 . A A . 4 PRO HB3 1 1 6 2120 1 1 4 PRO HD2 H 4.309 6.840 0.830 1.00 . A A . 4 PRO HD2 1 1 6 2121 1 1 4 PRO HD3 H 5.172 8.395 0.900 1.00 . A A . 4 PRO HD3 1 1 6 2122 1 1 4 PRO HG2 H 5.894 6.498 -0.835 1.00 . A A . 4 PRO HG2 1 1 6 2123 1 1 4 PRO HG3 H 5.963 8.219 -1.253 1.00 . A A . 4 PRO HG3 1 1 6 2124 1 1 4 PRO N N 3.379 8.428 -0.216 1.00 . A A . 4 PRO N 1 1 6 2125 1 1 4 PRO O O 1.599 6.334 -0.964 1.00 . A A . 4 PRO O 1 1 6 2126 1 1 5 CYS C C -0.338 5.880 -3.512 1.00 . A A . 5 CYS C 1 1 6 2127 1 1 5 CYS CA C -0.386 7.160 -2.704 1.00 . A A . 5 CYS CA 1 1 6 2128 1 1 5 CYS CB C -1.366 8.163 -3.335 1.00 . A A . 5 CYS CB 1 1 6 2129 1 1 5 CYS H H 1.198 8.474 -3.155 1.00 . A A . 5 CYS H 1 1 6 2130 1 1 5 CYS HA H -0.742 6.920 -1.713 1.00 . A A . 5 CYS HA 1 1 6 2131 1 1 5 CYS HB2 H -1.510 8.987 -2.653 1.00 . A A . 5 CYS HB2 1 1 6 2132 1 1 5 CYS HB3 H -0.931 8.540 -4.249 1.00 . A A . 5 CYS HB3 1 1 6 2133 1 1 5 CYS N N 0.926 7.743 -2.560 1.00 . A A . 5 CYS N 1 1 6 2134 1 1 5 CYS O O -0.092 5.894 -4.724 1.00 . A A . 5 CYS O 1 1 6 2135 1 1 5 CYS SG S -3.030 7.481 -3.738 1.00 . A A . 5 CYS SG 1 1 6 2136 1 1 6 PHE C C -1.993 2.970 -3.356 1.00 . A A . 6 PHE C 1 1 6 2137 1 1 6 PHE CA C -0.602 3.493 -3.455 1.00 . A A . 6 PHE CA 1 1 6 2138 1 1 6 PHE CB C 0.296 2.483 -2.742 1.00 . A A . 6 PHE CB 1 1 6 2139 1 1 6 PHE CD1 C 2.588 3.376 -2.314 1.00 . A A . 6 PHE CD1 1 1 6 2140 1 1 6 PHE CD2 C 2.270 1.799 -4.063 1.00 . A A . 6 PHE CD2 1 1 6 2141 1 1 6 PHE CE1 C 3.935 3.418 -2.594 1.00 . A A . 6 PHE CE1 1 1 6 2142 1 1 6 PHE CE2 C 3.605 1.832 -4.355 1.00 . A A . 6 PHE CE2 1 1 6 2143 1 1 6 PHE CG C 1.746 2.568 -3.048 1.00 . A A . 6 PHE CG 1 1 6 2144 1 1 6 PHE CZ C 4.450 2.643 -3.619 1.00 . A A . 6 PHE CZ 1 1 6 2145 1 1 6 PHE H H -0.626 4.868 -1.861 1.00 . A A . 6 PHE H 1 1 6 2146 1 1 6 PHE HA H -0.290 3.562 -4.486 1.00 . A A . 6 PHE HA 1 1 6 2147 1 1 6 PHE HB2 H 0.188 2.618 -1.676 1.00 . A A . 6 PHE HB2 1 1 6 2148 1 1 6 PHE HB3 H -0.044 1.488 -2.995 1.00 . A A . 6 PHE HB3 1 1 6 2149 1 1 6 PHE HD1 H 2.183 3.981 -1.516 1.00 . A A . 6 PHE HD1 1 1 6 2150 1 1 6 PHE HD2 H 1.613 1.165 -4.639 1.00 . A A . 6 PHE HD2 1 1 6 2151 1 1 6 PHE HE1 H 4.580 4.053 -2.007 1.00 . A A . 6 PHE HE1 1 1 6 2152 1 1 6 PHE HE2 H 3.972 1.211 -5.158 1.00 . A A . 6 PHE HE2 1 1 6 2153 1 1 6 PHE HZ H 5.506 2.672 -3.843 1.00 . A A . 6 PHE HZ 1 1 6 2154 1 1 6 PHE N N -0.526 4.791 -2.838 1.00 . A A . 6 PHE N 1 1 6 2155 1 1 6 PHE O O -2.602 3.084 -2.320 1.00 . A A . 6 PHE O 1 1 6 2156 1 1 7 CYS C C -3.491 0.439 -5.134 1.00 . A A . 7 CYS C 1 1 6 2157 1 1 7 CYS CA C -3.723 1.677 -4.369 1.00 . A A . 7 CYS CA 1 1 6 2158 1 1 7 CYS CB C -4.933 2.394 -4.919 1.00 . A A . 7 CYS CB 1 1 6 2159 1 1 7 CYS H H -2.045 2.521 -5.286 1.00 . A A . 7 CYS H 1 1 6 2160 1 1 7 CYS HA H -3.893 1.384 -3.344 1.00 . A A . 7 CYS HA 1 1 6 2161 1 1 7 CYS HB2 H -4.751 2.540 -5.967 1.00 . A A . 7 CYS HB2 1 1 6 2162 1 1 7 CYS HB3 H -5.773 1.718 -4.834 1.00 . A A . 7 CYS HB3 1 1 6 2163 1 1 7 CYS N N -2.499 2.434 -4.422 1.00 . A A . 7 CYS N 1 1 6 2164 1 1 7 CYS O O -2.994 0.467 -6.264 1.00 . A A . 7 CYS O 1 1 6 2165 1 1 7 CYS SG S -5.373 3.956 -4.079 1.00 . A A . 7 CYS SG 1 1 6 2166 1 1 8 VAL C C -4.732 -2.811 -4.662 1.00 . A A . 8 VAL C 1 1 6 2167 1 1 8 VAL CA C -3.558 -1.911 -5.004 1.00 . A A . 8 VAL CA 1 1 6 2168 1 1 8 VAL CB C -2.298 -2.475 -4.310 1.00 . A A . 8 VAL CB 1 1 6 2169 1 1 8 VAL CG1 C -1.015 -1.813 -4.799 1.00 . A A . 8 VAL CG1 1 1 6 2170 1 1 8 VAL CG2 C -2.400 -2.358 -2.784 1.00 . A A . 8 VAL CG2 1 1 6 2171 1 1 8 VAL H H -4.219 -0.579 -3.638 1.00 . A A . 8 VAL H 1 1 6 2172 1 1 8 VAL HA H -3.374 -1.886 -6.066 1.00 . A A . 8 VAL HA 1 1 6 2173 1 1 8 VAL HB H -2.314 -3.512 -4.556 1.00 . A A . 8 VAL HB 1 1 6 2174 1 1 8 VAL HG11 H -1.065 -0.750 -4.612 1.00 . A A . 8 VAL HG11 1 1 6 2175 1 1 8 VAL HG12 H -0.897 -1.989 -5.858 1.00 . A A . 8 VAL HG12 1 1 6 2176 1 1 8 VAL HG13 H -0.171 -2.230 -4.269 1.00 . A A . 8 VAL HG13 1 1 6 2177 1 1 8 VAL HG21 H -2.522 -1.319 -2.511 1.00 . A A . 8 VAL HG21 1 1 6 2178 1 1 8 VAL HG22 H -1.498 -2.740 -2.331 1.00 . A A . 8 VAL HG22 1 1 6 2179 1 1 8 VAL HG23 H -3.250 -2.925 -2.433 1.00 . A A . 8 VAL HG23 1 1 6 2180 1 1 8 VAL N N -3.801 -0.624 -4.519 1.00 . A A . 8 VAL N 1 1 6 2181 1 1 8 VAL O O -5.489 -2.518 -3.729 1.00 . A A . 8 VAL O 1 1 6 2182 1 1 9 GLU C C -5.234 -5.718 -3.999 1.00 . A A . 9 GLU C 1 1 6 2183 1 1 9 GLU CA C -5.884 -4.874 -5.090 1.00 . A A . 9 GLU CA 1 1 6 2184 1 1 9 GLU CB C -6.171 -5.728 -6.333 1.00 . A A . 9 GLU CB 1 1 6 2185 1 1 9 GLU CD C -8.628 -6.251 -5.961 1.00 . A A . 9 GLU CD 1 1 6 2186 1 1 9 GLU CG C -7.238 -6.803 -6.165 1.00 . A A . 9 GLU CG 1 1 6 2187 1 1 9 GLU H H -4.364 -3.986 -6.224 1.00 . A A . 9 GLU H 1 1 6 2188 1 1 9 GLU HA H -6.788 -4.411 -4.722 1.00 . A A . 9 GLU HA 1 1 6 2189 1 1 9 GLU HB2 H -6.483 -5.074 -7.134 1.00 . A A . 9 GLU HB2 1 1 6 2190 1 1 9 GLU HB3 H -5.249 -6.211 -6.621 1.00 . A A . 9 GLU HB3 1 1 6 2191 1 1 9 GLU HG2 H -7.245 -7.429 -7.045 1.00 . A A . 9 GLU HG2 1 1 6 2192 1 1 9 GLU HG3 H -6.977 -7.404 -5.307 1.00 . A A . 9 GLU HG3 1 1 6 2193 1 1 9 GLU N N -4.910 -3.863 -5.416 1.00 . A A . 9 GLU N 1 1 6 2194 1 1 9 GLU O O -4.287 -6.465 -4.266 1.00 . A A . 9 GLU O 1 1 6 2195 1 1 9 GLU OE1 O -9.124 -6.247 -4.821 1.00 . A A . 9 GLU OE1 1 1 6 2196 1 1 9 GLU OE2 O -9.260 -5.832 -6.946 1.00 . A A . 9 GLU OE2 1 1 6 2197 1 1 10 ASP C C -5.719 -7.496 -1.296 1.00 . A A . 10 ASP C 1 1 6 2198 1 1 10 ASP CA C -5.040 -6.215 -1.666 1.00 . A A . 10 ASP CA 1 1 6 2199 1 1 10 ASP CB C -4.932 -5.290 -0.462 1.00 . A A . 10 ASP CB 1 1 6 2200 1 1 10 ASP CG C -4.438 -6.000 0.776 1.00 . A A . 10 ASP CG 1 1 6 2201 1 1 10 ASP H H -6.488 -5.027 -2.620 1.00 . A A . 10 ASP H 1 1 6 2202 1 1 10 ASP HA H -4.038 -6.460 -1.988 1.00 . A A . 10 ASP HA 1 1 6 2203 1 1 10 ASP HB2 H -4.253 -4.481 -0.684 1.00 . A A . 10 ASP HB2 1 1 6 2204 1 1 10 ASP HB3 H -5.911 -4.890 -0.246 1.00 . A A . 10 ASP HB3 1 1 6 2205 1 1 10 ASP N N -5.682 -5.563 -2.786 1.00 . A A . 10 ASP N 1 1 6 2206 1 1 10 ASP O O -6.883 -7.509 -0.898 1.00 . A A . 10 ASP O 1 1 6 2207 1 1 10 ASP OD1 O -5.178 -6.039 1.776 1.00 . A A . 10 ASP OD1 1 1 6 2208 1 1 10 ASP OD2 O -3.321 -6.577 0.762 1.00 . A A . 10 ASP OD2 1 1 6 2209 1 1 11 GLU C C -5.695 -10.116 0.367 1.00 . A A . 11 GLU C 1 1 6 2210 1 1 11 GLU CA C -5.431 -9.911 -1.128 1.00 . A A . 11 GLU CA 1 1 6 2211 1 1 11 GLU CB C -4.378 -10.897 -1.632 1.00 . A A . 11 GLU CB 1 1 6 2212 1 1 11 GLU CD C -1.926 -11.443 -1.718 1.00 . A A . 11 GLU CD 1 1 6 2213 1 1 11 GLU CG C -3.012 -10.725 -0.978 1.00 . A A . 11 GLU CG 1 1 6 2214 1 1 11 GLU H H -4.057 -8.434 -1.742 1.00 . A A . 11 GLU H 1 1 6 2215 1 1 11 GLU HA H -6.346 -10.083 -1.675 1.00 . A A . 11 GLU HA 1 1 6 2216 1 1 11 GLU HB2 H -4.719 -11.905 -1.452 1.00 . A A . 11 GLU HB2 1 1 6 2217 1 1 11 GLU HB3 H -4.259 -10.749 -2.694 1.00 . A A . 11 GLU HB3 1 1 6 2218 1 1 11 GLU HG2 H -2.770 -9.675 -0.934 1.00 . A A . 11 GLU HG2 1 1 6 2219 1 1 11 GLU HG3 H -3.062 -11.115 0.028 1.00 . A A . 11 GLU HG3 1 1 6 2220 1 1 11 GLU N N -4.974 -8.559 -1.416 1.00 . A A . 11 GLU N 1 1 6 2221 1 1 11 GLU O O -6.445 -11.000 0.756 1.00 . A A . 11 GLU O 1 1 6 2222 1 1 11 GLU OE1 O -1.260 -10.808 -2.563 1.00 . A A . 11 GLU OE1 1 1 6 2223 1 1 11 GLU OE2 O -1.714 -12.644 -1.489 1.00 . A A . 11 GLU OE2 1 1 6 2224 1 1 12 THR C C -6.648 -8.918 3.043 1.00 . A A . 12 THR C 1 1 6 2225 1 1 12 THR CA C -5.231 -9.374 2.620 1.00 . A A . 12 THR CA 1 1 6 2226 1 1 12 THR CB C -4.168 -8.482 3.276 1.00 . A A . 12 THR CB 1 1 6 2227 1 1 12 THR CG2 C -3.956 -8.854 4.732 1.00 . A A . 12 THR CG2 1 1 6 2228 1 1 12 THR H H -4.524 -8.574 0.813 1.00 . A A . 12 THR H 1 1 6 2229 1 1 12 THR HA H -5.070 -10.398 2.922 1.00 . A A . 12 THR HA 1 1 6 2230 1 1 12 THR HB H -4.490 -7.455 3.203 1.00 . A A . 12 THR HB 1 1 6 2231 1 1 12 THR HG1 H -2.841 -7.862 2.001 1.00 . A A . 12 THR HG1 1 1 6 2232 1 1 12 THR HG21 H -3.221 -8.196 5.171 1.00 . A A . 12 THR HG21 1 1 6 2233 1 1 12 THR HG22 H -3.604 -9.874 4.791 1.00 . A A . 12 THR HG22 1 1 6 2234 1 1 12 THR HG23 H -4.889 -8.762 5.266 1.00 . A A . 12 THR HG23 1 1 6 2235 1 1 12 THR N N -5.094 -9.282 1.184 1.00 . A A . 12 THR N 1 1 6 2236 1 1 12 THR O O -7.353 -9.616 3.791 1.00 . A A . 12 THR O 1 1 6 2237 1 1 12 THR OG1 O -2.925 -8.651 2.561 1.00 . A A . 12 THR OG1 1 1 6 2238 1 1 13 SER C C -9.408 -7.901 1.914 1.00 . A A . 13 SER C 1 1 6 2239 1 1 13 SER CA C -8.376 -7.231 2.820 1.00 . A A . 13 SER CA 1 1 6 2240 1 1 13 SER CB C -8.370 -5.733 2.556 1.00 . A A . 13 SER CB 1 1 6 2241 1 1 13 SER H H -6.432 -7.220 2.016 1.00 . A A . 13 SER H 1 1 6 2242 1 1 13 SER HA H -8.622 -7.401 3.854 1.00 . A A . 13 SER HA 1 1 6 2243 1 1 13 SER HB2 H -8.276 -5.586 1.493 1.00 . A A . 13 SER HB2 1 1 6 2244 1 1 13 SER HB3 H -9.293 -5.297 2.906 1.00 . A A . 13 SER HB3 1 1 6 2245 1 1 13 SER HG H -6.482 -5.304 2.690 1.00 . A A . 13 SER HG 1 1 6 2246 1 1 13 SER N N -7.058 -7.766 2.549 1.00 . A A . 13 SER N 1 1 6 2247 1 1 13 SER O O -10.591 -8.010 2.253 1.00 . A A . 13 SER O 1 1 6 2248 1 1 13 SER OG O -7.275 -5.108 3.215 1.00 . A A . 13 SER OG 1 1 6 2249 1 1 14 GLY C C -10.497 -7.895 -1.030 1.00 . A A . 14 GLY C 1 1 6 2250 1 1 14 GLY CA C -9.816 -8.955 -0.209 1.00 . A A . 14 GLY CA 1 1 6 2251 1 1 14 GLY H H -7.994 -8.250 0.544 1.00 . A A . 14 GLY H 1 1 6 2252 1 1 14 GLY HA2 H -9.236 -9.598 -0.855 1.00 . A A . 14 GLY HA2 1 1 6 2253 1 1 14 GLY HA3 H -10.567 -9.538 0.303 1.00 . A A . 14 GLY HA3 1 1 6 2254 1 1 14 GLY N N -8.947 -8.346 0.759 1.00 . A A . 14 GLY N 1 1 6 2255 1 1 14 GLY O O -11.580 -8.119 -1.580 1.00 . A A . 14 GLY O 1 1 6 2256 1 1 15 ALA C C -9.241 -4.575 -2.020 1.00 . A A . 15 ALA C 1 1 6 2257 1 1 15 ALA CA C -10.371 -5.574 -1.787 1.00 . A A . 15 ALA CA 1 1 6 2258 1 1 15 ALA CB C -11.469 -4.929 -0.949 1.00 . A A . 15 ALA CB 1 1 6 2259 1 1 15 ALA H H -8.952 -6.663 -0.715 1.00 . A A . 15 ALA H 1 1 6 2260 1 1 15 ALA HA H -10.788 -5.884 -2.733 1.00 . A A . 15 ALA HA 1 1 6 2261 1 1 15 ALA HB1 H -12.275 -5.633 -0.806 1.00 . A A . 15 ALA HB1 1 1 6 2262 1 1 15 ALA HB2 H -11.839 -4.048 -1.452 1.00 . A A . 15 ALA HB2 1 1 6 2263 1 1 15 ALA HB3 H -11.064 -4.648 0.013 1.00 . A A . 15 ALA HB3 1 1 6 2264 1 1 15 ALA N N -9.849 -6.737 -1.106 1.00 . A A . 15 ALA N 1 1 6 2265 1 1 15 ALA O O -8.150 -4.702 -1.421 1.00 . A A . 15 ALA O 1 1 6 2266 1 1 16 LYS C C -8.252 -1.738 -1.951 1.00 . A A . 16 LYS C 1 1 6 2267 1 1 16 LYS CA C -8.541 -2.562 -3.192 1.00 . A A . 16 LYS CA 1 1 6 2268 1 1 16 LYS CB C -9.073 -1.665 -4.323 1.00 . A A . 16 LYS CB 1 1 6 2269 1 1 16 LYS CD C -8.674 0.255 -5.930 1.00 . A A . 16 LYS CD 1 1 6 2270 1 1 16 LYS CE C -9.876 1.104 -5.503 1.00 . A A . 16 LYS CE 1 1 6 2271 1 1 16 LYS CG C -8.100 -0.576 -4.783 1.00 . A A . 16 LYS CG 1 1 6 2272 1 1 16 LYS H H -10.353 -3.603 -3.341 1.00 . A A . 16 LYS H 1 1 6 2273 1 1 16 LYS HA H -7.622 -3.025 -3.516 1.00 . A A . 16 LYS HA 1 1 6 2274 1 1 16 LYS HB2 H -9.313 -2.283 -5.175 1.00 . A A . 16 LYS HB2 1 1 6 2275 1 1 16 LYS HB3 H -9.977 -1.186 -3.975 1.00 . A A . 16 LYS HB3 1 1 6 2276 1 1 16 LYS HD2 H -7.901 0.911 -6.303 1.00 . A A . 16 LYS HD2 1 1 6 2277 1 1 16 LYS HD3 H -8.980 -0.416 -6.720 1.00 . A A . 16 LYS HD3 1 1 6 2278 1 1 16 LYS HE2 H -10.286 1.580 -6.381 1.00 . A A . 16 LYS HE2 1 1 6 2279 1 1 16 LYS HE3 H -10.626 0.462 -5.068 1.00 . A A . 16 LYS HE3 1 1 6 2280 1 1 16 LYS HG2 H -7.891 0.078 -3.950 1.00 . A A . 16 LYS HG2 1 1 6 2281 1 1 16 LYS HG3 H -7.182 -1.044 -5.109 1.00 . A A . 16 LYS HG3 1 1 6 2282 1 1 16 LYS HZ1 H -9.115 1.783 -3.638 1.00 . A A . 16 LYS HZ1 1 1 6 2283 1 1 16 LYS HZ2 H -10.352 2.723 -4.292 1.00 . A A . 16 LYS HZ2 1 1 6 2284 1 1 16 LYS HZ3 H -8.825 2.814 -4.956 1.00 . A A . 16 LYS HZ3 1 1 6 2285 1 1 16 LYS N N -9.488 -3.608 -2.881 1.00 . A A . 16 LYS N 1 1 6 2286 1 1 16 LYS NZ N -9.508 2.159 -4.523 1.00 . A A . 16 LYS NZ 1 1 6 2287 1 1 16 LYS O O -9.156 -1.219 -1.308 1.00 . A A . 16 LYS O 1 1 6 2288 1 1 17 THR C C -5.601 0.163 -0.916 1.00 . A A . 17 THR C 1 1 6 2289 1 1 17 THR CA C -6.566 -0.930 -0.479 1.00 . A A . 17 THR CA 1 1 6 2290 1 1 17 THR CB C -5.867 -1.920 0.473 1.00 . A A . 17 THR CB 1 1 6 2291 1 1 17 THR CG2 C -5.398 -1.242 1.755 1.00 . A A . 17 THR CG2 1 1 6 2292 1 1 17 THR H H -6.332 -2.043 -2.217 1.00 . A A . 17 THR H 1 1 6 2293 1 1 17 THR HA H -7.417 -0.498 0.027 1.00 . A A . 17 THR HA 1 1 6 2294 1 1 17 THR HB H -5.019 -2.340 -0.049 1.00 . A A . 17 THR HB 1 1 6 2295 1 1 17 THR HG1 H -7.081 -3.400 -0.025 1.00 . A A . 17 THR HG1 1 1 6 2296 1 1 17 THR HG21 H -4.925 -1.972 2.396 1.00 . A A . 17 THR HG21 1 1 6 2297 1 1 17 THR HG22 H -6.239 -0.794 2.262 1.00 . A A . 17 THR HG22 1 1 6 2298 1 1 17 THR HG23 H -4.680 -0.476 1.498 1.00 . A A . 17 THR HG23 1 1 6 2299 1 1 17 THR N N -7.012 -1.638 -1.631 1.00 . A A . 17 THR N 1 1 6 2300 1 1 17 THR O O -4.850 -0.022 -1.889 1.00 . A A . 17 THR O 1 1 6 2301 1 1 17 THR OG1 O -6.790 -2.981 0.795 1.00 . A A . 17 THR OG1 1 1 6 2302 1 1 18 CYS C C -3.959 2.740 0.647 1.00 . A A . 18 CYS C 1 1 6 2303 1 1 18 CYS CA C -4.769 2.366 -0.565 1.00 . A A . 18 CYS CA 1 1 6 2304 1 1 18 CYS CB C -5.496 3.609 -1.073 1.00 . A A . 18 CYS CB 1 1 6 2305 1 1 18 CYS H H -6.317 1.431 0.452 1.00 . A A . 18 CYS H 1 1 6 2306 1 1 18 CYS HA H -4.095 2.029 -1.336 1.00 . A A . 18 CYS HA 1 1 6 2307 1 1 18 CYS HB2 H -6.069 4.031 -0.264 1.00 . A A . 18 CYS HB2 1 1 6 2308 1 1 18 CYS HB3 H -4.741 4.335 -1.338 1.00 . A A . 18 CYS HB3 1 1 6 2309 1 1 18 CYS N N -5.661 1.294 -0.265 1.00 . A A . 18 CYS N 1 1 6 2310 1 1 18 CYS O O -4.342 2.461 1.792 1.00 . A A . 18 CYS O 1 1 6 2311 1 1 18 CYS SG S -6.559 3.359 -2.540 1.00 . A A . 18 CYS SG 1 1 6 2312 1 1 19 VAL C C -1.548 5.260 0.915 1.00 . A A . 19 VAL C 1 1 6 2313 1 1 19 VAL CA C -1.944 3.863 1.374 1.00 . A A . 19 VAL CA 1 1 6 2314 1 1 19 VAL CB C -0.648 2.989 1.482 1.00 . A A . 19 VAL CB 1 1 6 2315 1 1 19 VAL CG1 C 0.295 3.540 2.546 1.00 . A A . 19 VAL CG1 1 1 6 2316 1 1 19 VAL CG2 C -0.974 1.529 1.773 1.00 . A A . 19 VAL CG2 1 1 6 2317 1 1 19 VAL H H -2.667 3.516 -0.568 1.00 . A A . 19 VAL H 1 1 6 2318 1 1 19 VAL HA H -2.449 3.902 2.329 1.00 . A A . 19 VAL HA 1 1 6 2319 1 1 19 VAL HB H -0.136 3.045 0.532 1.00 . A A . 19 VAL HB 1 1 6 2320 1 1 19 VAL HG11 H 0.575 4.552 2.291 1.00 . A A . 19 VAL HG11 1 1 6 2321 1 1 19 VAL HG12 H 1.181 2.924 2.597 1.00 . A A . 19 VAL HG12 1 1 6 2322 1 1 19 VAL HG13 H -0.201 3.535 3.504 1.00 . A A . 19 VAL HG13 1 1 6 2323 1 1 19 VAL HG21 H -1.590 1.133 0.980 1.00 . A A . 19 VAL HG21 1 1 6 2324 1 1 19 VAL HG22 H -1.506 1.462 2.711 1.00 . A A . 19 VAL HG22 1 1 6 2325 1 1 19 VAL HG23 H -0.058 0.960 1.839 1.00 . A A . 19 VAL HG23 1 1 6 2326 1 1 19 VAL N N -2.860 3.361 0.385 1.00 . A A . 19 VAL N 1 1 6 2327 1 1 19 VAL O O -0.952 5.388 -0.141 1.00 . A A . 19 VAL O 1 1 6 2328 1 1 20 PRO C C -4.241 5.862 2.492 1.00 . A A . 20 PRO C 1 1 6 2329 1 1 20 PRO CA C -2.790 6.247 2.826 1.00 . A A . 20 PRO CA 1 1 6 2330 1 1 20 PRO CB C -2.734 7.667 3.397 1.00 . A A . 20 PRO CB 1 1 6 2331 1 1 20 PRO CD C -1.565 7.714 1.319 1.00 . A A . 20 PRO CD 1 1 6 2332 1 1 20 PRO CG C -2.439 8.529 2.228 1.00 . A A . 20 PRO CG 1 1 6 2333 1 1 20 PRO HA H -2.392 5.546 3.544 1.00 . A A . 20 PRO HA 1 1 6 2334 1 1 20 PRO HB2 H -3.689 7.913 3.838 1.00 . A A . 20 PRO HB2 1 1 6 2335 1 1 20 PRO HB3 H -1.956 7.732 4.144 1.00 . A A . 20 PRO HB3 1 1 6 2336 1 1 20 PRO HD2 H -1.769 7.945 0.285 1.00 . A A . 20 PRO HD2 1 1 6 2337 1 1 20 PRO HD3 H -0.523 7.883 1.543 1.00 . A A . 20 PRO HD3 1 1 6 2338 1 1 20 PRO HG2 H -3.363 8.795 1.738 1.00 . A A . 20 PRO HG2 1 1 6 2339 1 1 20 PRO HG3 H -1.922 9.421 2.546 1.00 . A A . 20 PRO HG3 1 1 6 2340 1 1 20 PRO N N -1.943 6.328 1.629 1.00 . A A . 20 PRO N 1 1 6 2341 1 1 20 PRO O O -4.645 5.858 1.306 1.00 . A A . 20 PRO O 1 1 6 2342 1 1 21 ASP C C -7.208 6.060 2.584 1.00 . A A . 21 ASP C 1 1 6 2343 1 1 21 ASP CA C -6.391 5.100 3.424 1.00 . A A . 21 ASP CA 1 1 6 2344 1 1 21 ASP CB C -7.013 4.977 4.809 1.00 . A A . 21 ASP CB 1 1 6 2345 1 1 21 ASP CG C -8.439 4.477 4.783 1.00 . A A . 21 ASP CG 1 1 6 2346 1 1 21 ASP H H -4.614 5.627 4.431 1.00 . A A . 21 ASP H 1 1 6 2347 1 1 21 ASP HA H -6.397 4.127 2.955 1.00 . A A . 21 ASP HA 1 1 6 2348 1 1 21 ASP HB2 H -6.421 4.317 5.426 1.00 . A A . 21 ASP HB2 1 1 6 2349 1 1 21 ASP HB3 H -7.014 5.968 5.231 1.00 . A A . 21 ASP HB3 1 1 6 2350 1 1 21 ASP N N -5.001 5.544 3.533 1.00 . A A . 21 ASP N 1 1 6 2351 1 1 21 ASP O O -7.403 7.220 2.961 1.00 . A A . 21 ASP O 1 1 6 2352 1 1 21 ASP OD1 O -8.646 3.254 4.647 1.00 . A A . 21 ASP OD1 1 1 6 2353 1 1 21 ASP OD2 O -9.375 5.293 4.929 1.00 . A A . 21 ASP OD2 1 1 6 2354 1 1 22 ASN C C -7.747 7.582 -0.027 1.00 . A A . 22 ASN C 1 1 6 2355 1 1 22 ASN CA C -8.418 6.307 0.473 1.00 . A A . 22 ASN CA 1 1 6 2356 1 1 22 ASN CB C -9.847 6.572 0.929 1.00 . A A . 22 ASN CB 1 1 6 2357 1 1 22 ASN CG C -10.770 5.392 0.718 1.00 . A A . 22 ASN CG 1 1 6 2358 1 1 22 ASN H H -7.501 4.615 1.281 1.00 . A A . 22 ASN H 1 1 6 2359 1 1 22 ASN HA H -8.476 5.653 -0.385 1.00 . A A . 22 ASN HA 1 1 6 2360 1 1 22 ASN HB2 H -9.835 6.818 1.981 1.00 . A A . 22 ASN HB2 1 1 6 2361 1 1 22 ASN HB3 H -10.206 7.414 0.371 1.00 . A A . 22 ASN HB3 1 1 6 2362 1 1 22 ASN HD21 H -11.255 6.028 -1.098 1.00 . A A . 22 ASN HD21 1 1 6 2363 1 1 22 ASN HD22 H -12.006 4.567 -0.575 1.00 . A A . 22 ASN HD22 1 1 6 2364 1 1 22 ASN N N -7.657 5.563 1.452 1.00 . A A . 22 ASN N 1 1 6 2365 1 1 22 ASN ND2 N -11.401 5.325 -0.431 1.00 . A A . 22 ASN ND2 1 1 6 2366 1 1 22 ASN O O -8.385 8.637 -0.107 1.00 . A A . 22 ASN O 1 1 6 2367 1 1 22 ASN OD1 O -10.920 4.548 1.586 1.00 . A A . 22 ASN OD1 1 1 6 2368 1 1 23 CYS C C -6.429 8.885 -2.378 1.00 . A A . 23 CYS C 1 1 6 2369 1 1 23 CYS CA C -5.795 8.631 -1.016 1.00 . A A . 23 CYS CA 1 1 6 2370 1 1 23 CYS CB C -4.283 8.411 -1.130 1.00 . A A . 23 CYS CB 1 1 6 2371 1 1 23 CYS H H -5.927 6.709 -0.130 1.00 . A A . 23 CYS H 1 1 6 2372 1 1 23 CYS HA H -5.998 9.498 -0.415 1.00 . A A . 23 CYS HA 1 1 6 2373 1 1 23 CYS HB2 H -3.855 9.224 -1.697 1.00 . A A . 23 CYS HB2 1 1 6 2374 1 1 23 CYS HB3 H -3.855 8.405 -0.140 1.00 . A A . 23 CYS HB3 1 1 6 2375 1 1 23 CYS N N -6.462 7.501 -0.364 1.00 . A A . 23 CYS N 1 1 6 2376 1 1 23 CYS O O -6.478 10.011 -2.875 1.00 . A A . 23 CYS O 1 1 6 2377 1 1 23 CYS SG S -3.793 6.859 -1.959 1.00 . A A . 23 CYS SG 1 1 6 2378 1 1 24 ASP C C -9.146 7.809 -3.872 1.00 . A A . 24 ASP C 1 1 6 2379 1 1 24 ASP CA C -7.661 7.925 -4.180 1.00 . A A . 24 ASP CA 1 1 6 2380 1 1 24 ASP CB C -7.207 6.888 -5.217 1.00 . A A . 24 ASP CB 1 1 6 2381 1 1 24 ASP CG C -7.966 6.981 -6.534 1.00 . A A . 24 ASP CG 1 1 6 2382 1 1 24 ASP H H -6.797 6.980 -2.513 1.00 . A A . 24 ASP H 1 1 6 2383 1 1 24 ASP HA H -7.471 8.916 -4.559 1.00 . A A . 24 ASP HA 1 1 6 2384 1 1 24 ASP HB2 H -6.158 7.035 -5.422 1.00 . A A . 24 ASP HB2 1 1 6 2385 1 1 24 ASP HB3 H -7.351 5.899 -4.807 1.00 . A A . 24 ASP HB3 1 1 6 2386 1 1 24 ASP N N -6.922 7.836 -2.960 1.00 . A A . 24 ASP N 1 1 6 2387 1 1 24 ASP O O -9.726 6.723 -3.901 1.00 . A A . 24 ASP O 1 1 6 2388 1 1 24 ASP OD1 O -8.789 6.089 -6.823 1.00 . A A . 24 ASP OD1 1 1 6 2389 1 1 24 ASP OD2 O -7.729 7.940 -7.315 1.00 . A A . 24 ASP OD2 1 1 6 2390 1 1 25 ALA C C -11.772 10.167 -3.767 1.00 . A A . 25 ALA C 1 1 6 2391 1 1 25 ALA CA C -11.147 8.942 -3.138 1.00 . A A . 25 ALA CA 1 1 6 2392 1 1 25 ALA CB C -11.421 8.899 -1.648 1.00 . A A . 25 ALA CB 1 1 6 2393 1 1 25 ALA H H -9.124 9.653 -3.224 1.00 . A A . 25 ALA H 1 1 6 2394 1 1 25 ALA HA H -11.589 8.068 -3.596 1.00 . A A . 25 ALA HA 1 1 6 2395 1 1 25 ALA HB1 H -10.950 9.738 -1.160 1.00 . A A . 25 ALA HB1 1 1 6 2396 1 1 25 ALA HB2 H -11.034 7.972 -1.256 1.00 . A A . 25 ALA HB2 1 1 6 2397 1 1 25 ALA HB3 H -12.488 8.936 -1.482 1.00 . A A . 25 ALA HB3 1 1 6 2398 1 1 25 ALA N N -9.712 8.890 -3.415 1.00 . A A . 25 ALA N 1 1 6 2399 1 1 25 ALA O O -12.960 10.440 -3.600 1.00 . A A . 25 ALA O 1 1 6 2400 1 1 26 SER C C -11.778 11.574 -6.604 1.00 . A A . 26 SER C 1 1 6 2401 1 1 26 SER CA C -11.461 12.035 -5.195 1.00 . A A . 26 SER CA 1 1 6 2402 1 1 26 SER CB C -10.400 13.122 -5.181 1.00 . A A . 26 SER CB 1 1 6 2403 1 1 26 SER H H -10.034 10.659 -4.591 1.00 . A A . 26 SER H 1 1 6 2404 1 1 26 SER HA H -12.360 12.387 -4.715 1.00 . A A . 26 SER HA 1 1 6 2405 1 1 26 SER HB2 H -9.542 12.804 -5.755 1.00 . A A . 26 SER HB2 1 1 6 2406 1 1 26 SER HB3 H -10.804 14.032 -5.600 1.00 . A A . 26 SER HB3 1 1 6 2407 1 1 26 SER HG H -10.507 12.760 -3.285 1.00 . A A . 26 SER HG 1 1 6 2408 1 1 26 SER N N -10.980 10.901 -4.486 1.00 . A A . 26 SER N 1 1 6 2409 1 1 26 SER O O -10.861 11.281 -7.384 1.00 . A A . 26 SER O 1 1 6 2410 1 1 26 SER OG O -10.002 13.372 -3.839 1.00 . A A . 26 SER OG 1 1 6 2411 1 1 27 ARG C C -13.345 9.410 -8.246 1.00 . A A . 27 ARG C 1 1 6 2412 1 1 27 ARG CA C -13.575 10.915 -8.144 1.00 . A A . 27 ARG CA 1 1 6 2413 1 1 27 ARG CB C -13.002 11.660 -9.363 1.00 . A A . 27 ARG CB 1 1 6 2414 1 1 27 ARG CD C -12.719 11.808 -11.838 1.00 . A A . 27 ARG CD 1 1 6 2415 1 1 27 ARG CG C -13.432 11.102 -10.708 1.00 . A A . 27 ARG CG 1 1 6 2416 1 1 27 ARG CZ C -10.376 12.031 -12.669 1.00 . A A . 27 ARG CZ 1 1 6 2417 1 1 27 ARG H H -13.722 11.657 -6.185 1.00 . A A . 27 ARG H 1 1 6 2418 1 1 27 ARG HA H -14.643 11.068 -8.105 1.00 . A A . 27 ARG HA 1 1 6 2419 1 1 27 ARG HB2 H -13.315 12.693 -9.312 1.00 . A A . 27 ARG HB2 1 1 6 2420 1 1 27 ARG HB3 H -11.924 11.624 -9.305 1.00 . A A . 27 ARG HB3 1 1 6 2421 1 1 27 ARG HD2 H -13.019 11.357 -12.773 1.00 . A A . 27 ARG HD2 1 1 6 2422 1 1 27 ARG HD3 H -13.002 12.850 -11.833 1.00 . A A . 27 ARG HD3 1 1 6 2423 1 1 27 ARG HE H -10.930 11.408 -10.832 1.00 . A A . 27 ARG HE 1 1 6 2424 1 1 27 ARG HG2 H -13.194 10.049 -10.744 1.00 . A A . 27 ARG HG2 1 1 6 2425 1 1 27 ARG HG3 H -14.496 11.239 -10.822 1.00 . A A . 27 ARG HG3 1 1 6 2426 1 1 27 ARG HH11 H -11.777 12.473 -14.088 1.00 . A A . 27 ARG HH11 1 1 6 2427 1 1 27 ARG HH12 H -10.163 12.676 -14.596 1.00 . A A . 27 ARG HH12 1 1 6 2428 1 1 27 ARG HH21 H -8.731 11.657 -11.529 1.00 . A A . 27 ARG HH21 1 1 6 2429 1 1 27 ARG HH22 H -8.386 12.182 -13.114 1.00 . A A . 27 ARG HH22 1 1 6 2430 1 1 27 ARG N N -13.067 11.426 -6.879 1.00 . A A . 27 ARG N 1 1 6 2431 1 1 27 ARG NE N -11.253 11.711 -11.710 1.00 . A A . 27 ARG NE 1 1 6 2432 1 1 27 ARG NH1 N -10.801 12.414 -13.864 1.00 . A A . 27 ARG NH1 1 1 6 2433 1 1 27 ARG NH2 N -9.077 11.952 -12.424 1.00 . A A . 27 ARG NH2 1 1 6 2434 1 1 27 ARG O O -12.248 8.938 -8.605 1.00 . A A . 27 ARG O 1 1 6 2435 1 1 28 GLY C C -15.519 6.697 -8.598 1.00 . A A . 28 GLY C 1 1 6 2436 1 1 28 GLY CA C -14.280 7.245 -7.961 1.00 . A A . 28 GLY CA 1 1 6 2437 1 1 28 GLY H H -15.183 9.100 -7.564 1.00 . A A . 28 GLY H 1 1 6 2438 1 1 28 GLY HA2 H -13.420 6.974 -8.554 1.00 . A A . 28 GLY HA2 1 1 6 2439 1 1 28 GLY HA3 H -14.175 6.833 -6.969 1.00 . A A . 28 GLY HA3 1 1 6 2440 1 1 28 GLY N N -14.351 8.672 -7.882 1.00 . A A . 28 GLY N 1 1 6 2441 1 1 28 GLY O O -16.195 7.411 -9.344 1.00 . A A . 28 GLY O 1 1 6 2442 1 1 29 THR C C -18.222 5.179 -7.948 1.00 . A A . 29 THR C 1 1 6 2443 1 1 29 THR CA C -17.029 4.845 -8.856 1.00 . A A . 29 THR CA 1 1 6 2444 1 1 29 THR CB C -16.857 3.291 -9.031 1.00 . A A . 29 THR CB 1 1 6 2445 1 1 29 THR CG2 C -16.701 2.579 -7.685 1.00 . A A . 29 THR CG2 1 1 6 2446 1 1 29 THR H H -15.242 4.942 -7.725 1.00 . A A . 29 THR H 1 1 6 2447 1 1 29 THR HA H -17.210 5.295 -9.820 1.00 . A A . 29 THR HA 1 1 6 2448 1 1 29 THR HB H -15.966 3.125 -9.617 1.00 . A A . 29 THR HB 1 1 6 2449 1 1 29 THR HG1 H -18.205 3.301 -10.485 1.00 . A A . 29 THR HG1 1 1 6 2450 1 1 29 THR HG21 H -15.812 2.938 -7.190 1.00 . A A . 29 THR HG21 1 1 6 2451 1 1 29 THR HG22 H -16.618 1.515 -7.845 1.00 . A A . 29 THR HG22 1 1 6 2452 1 1 29 THR HG23 H -17.563 2.785 -7.070 1.00 . A A . 29 THR HG23 1 1 6 2453 1 1 29 THR N N -15.836 5.458 -8.314 1.00 . A A . 29 THR N 1 1 6 2454 1 1 29 THR O O -19.382 5.147 -8.372 1.00 . A A . 29 THR O 1 1 6 2455 1 1 29 THR OG1 O -17.974 2.720 -9.745 1.00 . A A . 29 THR OG1 1 1 6 2456 1 1 30 ASN C C -18.882 7.412 -5.402 1.00 . A A . 30 ASN C 1 1 6 2457 1 1 30 ASN CA C -18.928 5.898 -5.740 1.00 . A A . 30 ASN CA 1 1 6 2458 1 1 30 ASN CB C -18.885 4.989 -4.485 1.00 . A A . 30 ASN CB 1 1 6 2459 1 1 30 ASN CG C -19.925 5.355 -3.438 1.00 . A A . 30 ASN CG 1 1 6 2460 1 1 30 ASN H H -16.972 5.529 -6.448 1.00 . A A . 30 ASN H 1 1 6 2461 1 1 30 ASN HA H -19.870 5.736 -6.245 1.00 . A A . 30 ASN HA 1 1 6 2462 1 1 30 ASN HB2 H -19.076 3.972 -4.795 1.00 . A A . 30 ASN HB2 1 1 6 2463 1 1 30 ASN HB3 H -17.909 5.029 -4.028 1.00 . A A . 30 ASN HB3 1 1 6 2464 1 1 30 ASN HD21 H -18.582 6.350 -2.364 1.00 . A A . 30 ASN HD21 1 1 6 2465 1 1 30 ASN HD22 H -20.185 6.327 -1.746 1.00 . A A . 30 ASN HD22 1 1 6 2466 1 1 30 ASN N N -17.917 5.524 -6.709 1.00 . A A . 30 ASN N 1 1 6 2467 1 1 30 ASN ND2 N -19.522 6.076 -2.424 1.00 . A A . 30 ASN ND2 1 1 6 2468 1 1 30 ASN O O -19.921 8.072 -5.459 1.00 . A A . 30 ASN O 1 1 6 2469 1 1 30 ASN OD1 O -21.079 4.923 -3.517 1.00 . A A . 30 ASN OD1 1 1 6 2470 1 1 31 PRO C C -17.616 10.204 -6.137 1.00 . A A . 31 PRO C 1 1 6 2471 1 1 31 PRO CA C -17.582 9.448 -4.812 1.00 . A A . 31 PRO CA 1 1 6 2472 1 1 31 PRO CB C -16.210 9.626 -4.132 1.00 . A A . 31 PRO CB 1 1 6 2473 1 1 31 PRO CD C -16.403 7.352 -4.789 1.00 . A A . 31 PRO CD 1 1 6 2474 1 1 31 PRO CG C -15.768 8.249 -3.779 1.00 . A A . 31 PRO CG 1 1 6 2475 1 1 31 PRO HA H -18.372 9.812 -4.173 1.00 . A A . 31 PRO HA 1 1 6 2476 1 1 31 PRO HB2 H -15.526 10.094 -4.823 1.00 . A A . 31 PRO HB2 1 1 6 2477 1 1 31 PRO HB3 H -16.316 10.244 -3.252 1.00 . A A . 31 PRO HB3 1 1 6 2478 1 1 31 PRO HD2 H -15.810 7.321 -5.691 1.00 . A A . 31 PRO HD2 1 1 6 2479 1 1 31 PRO HD3 H -16.536 6.362 -4.383 1.00 . A A . 31 PRO HD3 1 1 6 2480 1 1 31 PRO HG2 H -14.692 8.182 -3.836 1.00 . A A . 31 PRO HG2 1 1 6 2481 1 1 31 PRO HG3 H -16.107 7.994 -2.786 1.00 . A A . 31 PRO HG3 1 1 6 2482 1 1 31 PRO N N -17.697 8.003 -5.037 1.00 . A A . 31 PRO N 1 1 6 2483 1 1 31 PRO O O -18.573 10.968 -6.377 1.00 . A A . 31 PRO O 1 1 6 2484 1 1 31 PRO OXT O -16.719 9.977 -6.994 1.00 . A A . 31 PRO OXT 1 1 7 2485 1 1 1 ASP C C 1.725 15.406 2.464 1.00 . A A . 1 ASP C 1 1 7 2486 1 1 1 ASP CA C 1.879 15.461 3.945 1.00 . A A . 1 ASP CA 1 1 7 2487 1 1 1 ASP CB C 2.632 14.219 4.431 1.00 . A A . 1 ASP CB 1 1 7 2488 1 1 1 ASP CG C 2.806 14.207 5.919 1.00 . A A . 1 ASP CG 1 1 7 2489 1 1 1 ASP H1 H 0.088 16.398 4.235 1.00 . A A . 1 ASP H1 1 1 7 2490 1 1 1 ASP H2 H 0.615 15.502 5.577 1.00 . A A . 1 ASP H2 1 1 7 2491 1 1 1 ASP H3 H -0.017 14.717 4.193 1.00 . A A . 1 ASP H3 1 1 7 2492 1 1 1 ASP HA H 2.426 16.349 4.222 1.00 . A A . 1 ASP HA 1 1 7 2493 1 1 1 ASP HB2 H 2.087 13.332 4.145 1.00 . A A . 1 ASP HB2 1 1 7 2494 1 1 1 ASP HB3 H 3.607 14.193 3.969 1.00 . A A . 1 ASP HB3 1 1 7 2495 1 1 1 ASP N N 0.549 15.517 4.539 1.00 . A A . 1 ASP N 1 1 7 2496 1 1 1 ASP O O 0.620 15.142 1.972 1.00 . A A . 1 ASP O 1 1 7 2497 1 1 1 ASP OD1 O 3.954 14.311 6.405 1.00 . A A . 1 ASP OD1 1 1 7 2498 1 1 1 ASP OD2 O 1.789 14.123 6.634 1.00 . A A . 1 ASP OD2 1 1 7 2499 1 1 2 VAL C C 2.896 14.071 -0.103 1.00 . A A . 2 VAL C 1 1 7 2500 1 1 2 VAL CA C 2.755 15.547 0.293 1.00 . A A . 2 VAL CA 1 1 7 2501 1 1 2 VAL CB C 3.784 16.475 -0.447 1.00 . A A . 2 VAL CB 1 1 7 2502 1 1 2 VAL CG1 C 3.387 17.933 -0.277 1.00 . A A . 2 VAL CG1 1 1 7 2503 1 1 2 VAL CG2 C 5.212 16.276 0.068 1.00 . A A . 2 VAL CG2 1 1 7 2504 1 1 2 VAL H H 3.626 15.938 2.183 1.00 . A A . 2 VAL H 1 1 7 2505 1 1 2 VAL HA H 1.750 15.835 0.016 1.00 . A A . 2 VAL HA 1 1 7 2506 1 1 2 VAL HB H 3.755 16.241 -1.501 1.00 . A A . 2 VAL HB 1 1 7 2507 1 1 2 VAL HG11 H 3.370 18.180 0.774 1.00 . A A . 2 VAL HG11 1 1 7 2508 1 1 2 VAL HG12 H 2.405 18.094 -0.699 1.00 . A A . 2 VAL HG12 1 1 7 2509 1 1 2 VAL HG13 H 4.103 18.563 -0.782 1.00 . A A . 2 VAL HG13 1 1 7 2510 1 1 2 VAL HG21 H 5.504 15.245 -0.072 1.00 . A A . 2 VAL HG21 1 1 7 2511 1 1 2 VAL HG22 H 5.257 16.527 1.117 1.00 . A A . 2 VAL HG22 1 1 7 2512 1 1 2 VAL HG23 H 5.885 16.917 -0.483 1.00 . A A . 2 VAL HG23 1 1 7 2513 1 1 2 VAL N N 2.793 15.667 1.737 1.00 . A A . 2 VAL N 1 1 7 2514 1 1 2 VAL O O 3.993 13.552 -0.362 1.00 . A A . 2 VAL O 1 1 7 2515 1 1 3 SER C C 0.969 11.617 -1.524 1.00 . A A . 3 SER C 1 1 7 2516 1 1 3 SER CA C 1.758 11.981 -0.267 1.00 . A A . 3 SER CA 1 1 7 2517 1 1 3 SER CB C 1.092 11.354 0.961 1.00 . A A . 3 SER CB 1 1 7 2518 1 1 3 SER H H 0.948 13.860 0.108 1.00 . A A . 3 SER H 1 1 7 2519 1 1 3 SER HA H 2.764 11.599 -0.330 1.00 . A A . 3 SER HA 1 1 7 2520 1 1 3 SER HB2 H 0.054 11.647 0.986 1.00 . A A . 3 SER HB2 1 1 7 2521 1 1 3 SER HB3 H 1.155 10.277 0.910 1.00 . A A . 3 SER HB3 1 1 7 2522 1 1 3 SER HG H 2.653 11.548 2.102 1.00 . A A . 3 SER HG 1 1 7 2523 1 1 3 SER N N 1.794 13.394 -0.066 1.00 . A A . 3 SER N 1 1 7 2524 1 1 3 SER O O -0.243 11.833 -1.568 1.00 . A A . 3 SER O 1 1 7 2525 1 1 3 SER OG O 1.721 11.798 2.167 1.00 . A A . 3 SER OG 1 1 7 2526 1 1 4 PRO C C 0.289 9.267 -3.402 1.00 . A A . 4 PRO C 1 1 7 2527 1 1 4 PRO CA C 0.962 10.591 -3.760 1.00 . A A . 4 PRO CA 1 1 7 2528 1 1 4 PRO CB C 2.104 10.351 -4.767 1.00 . A A . 4 PRO CB 1 1 7 2529 1 1 4 PRO CD C 3.096 11.004 -2.696 1.00 . A A . 4 PRO CD 1 1 7 2530 1 1 4 PRO CG C 3.298 11.026 -4.180 1.00 . A A . 4 PRO CG 1 1 7 2531 1 1 4 PRO HA H 0.232 11.285 -4.149 1.00 . A A . 4 PRO HA 1 1 7 2532 1 1 4 PRO HB2 H 2.266 9.288 -4.875 1.00 . A A . 4 PRO HB2 1 1 7 2533 1 1 4 PRO HB3 H 1.841 10.776 -5.724 1.00 . A A . 4 PRO HB3 1 1 7 2534 1 1 4 PRO HD2 H 3.456 10.075 -2.280 1.00 . A A . 4 PRO HD2 1 1 7 2535 1 1 4 PRO HD3 H 3.586 11.849 -2.234 1.00 . A A . 4 PRO HD3 1 1 7 2536 1 1 4 PRO HG2 H 4.195 10.486 -4.446 1.00 . A A . 4 PRO HG2 1 1 7 2537 1 1 4 PRO HG3 H 3.354 12.043 -4.537 1.00 . A A . 4 PRO HG3 1 1 7 2538 1 1 4 PRO N N 1.639 11.107 -2.571 1.00 . A A . 4 PRO N 1 1 7 2539 1 1 4 PRO O O 0.781 8.537 -2.525 1.00 . A A . 4 PRO O 1 1 7 2540 1 1 5 CYS C C -1.124 6.549 -4.496 1.00 . A A . 5 CYS C 1 1 7 2541 1 1 5 CYS CA C -1.525 7.757 -3.673 1.00 . A A . 5 CYS CA 1 1 7 2542 1 1 5 CYS CB C -3.045 7.949 -3.716 1.00 . A A . 5 CYS CB 1 1 7 2543 1 1 5 CYS H H -1.120 9.515 -4.777 1.00 . A A . 5 CYS H 1 1 7 2544 1 1 5 CYS HA H -1.251 7.545 -2.651 1.00 . A A . 5 CYS HA 1 1 7 2545 1 1 5 CYS HB2 H -3.322 8.793 -3.103 1.00 . A A . 5 CYS HB2 1 1 7 2546 1 1 5 CYS HB3 H -3.349 8.130 -4.736 1.00 . A A . 5 CYS HB3 1 1 7 2547 1 1 5 CYS N N -0.803 8.949 -4.039 1.00 . A A . 5 CYS N 1 1 7 2548 1 1 5 CYS O O -1.163 6.567 -5.735 1.00 . A A . 5 CYS O 1 1 7 2549 1 1 5 CYS SG S -3.962 6.481 -3.116 1.00 . A A . 5 CYS SG 1 1 7 2550 1 1 6 PHE C C -1.230 3.185 -3.698 1.00 . A A . 6 PHE C 1 1 7 2551 1 1 6 PHE CA C -0.402 4.251 -4.396 1.00 . A A . 6 PHE CA 1 1 7 2552 1 1 6 PHE CB C 1.113 3.944 -4.388 1.00 . A A . 6 PHE CB 1 1 7 2553 1 1 6 PHE CD1 C 1.856 3.142 -2.117 1.00 . A A . 6 PHE CD1 1 1 7 2554 1 1 6 PHE CD2 C 2.475 5.335 -2.801 1.00 . A A . 6 PHE CD2 1 1 7 2555 1 1 6 PHE CE1 C 2.521 3.326 -0.923 1.00 . A A . 6 PHE CE1 1 1 7 2556 1 1 6 PHE CE2 C 3.139 5.523 -1.609 1.00 . A A . 6 PHE CE2 1 1 7 2557 1 1 6 PHE CG C 1.823 4.143 -3.070 1.00 . A A . 6 PHE CG 1 1 7 2558 1 1 6 PHE CZ C 3.163 4.518 -0.669 1.00 . A A . 6 PHE CZ 1 1 7 2559 1 1 6 PHE H H -0.604 5.633 -2.833 1.00 . A A . 6 PHE H 1 1 7 2560 1 1 6 PHE HA H -0.755 4.306 -5.417 1.00 . A A . 6 PHE HA 1 1 7 2561 1 1 6 PHE HB2 H 1.254 2.911 -4.670 1.00 . A A . 6 PHE HB2 1 1 7 2562 1 1 6 PHE HB3 H 1.593 4.571 -5.125 1.00 . A A . 6 PHE HB3 1 1 7 2563 1 1 6 PHE HD1 H 1.352 2.209 -2.317 1.00 . A A . 6 PHE HD1 1 1 7 2564 1 1 6 PHE HD2 H 2.458 6.126 -3.537 1.00 . A A . 6 PHE HD2 1 1 7 2565 1 1 6 PHE HE1 H 2.540 2.538 -0.185 1.00 . A A . 6 PHE HE1 1 1 7 2566 1 1 6 PHE HE2 H 3.643 6.458 -1.413 1.00 . A A . 6 PHE HE2 1 1 7 2567 1 1 6 PHE HZ H 3.683 4.663 0.265 1.00 . A A . 6 PHE HZ 1 1 7 2568 1 1 6 PHE N N -0.703 5.528 -3.807 1.00 . A A . 6 PHE N 1 1 7 2569 1 1 6 PHE O O -1.456 3.262 -2.474 1.00 . A A . 6 PHE O 1 1 7 2570 1 1 7 CYS C C -2.181 -0.169 -4.193 1.00 . A A . 7 CYS C 1 1 7 2571 1 1 7 CYS CA C -2.620 1.250 -3.920 1.00 . A A . 7 CYS CA 1 1 7 2572 1 1 7 CYS CB C -3.984 1.448 -4.564 1.00 . A A . 7 CYS CB 1 1 7 2573 1 1 7 CYS H H -1.404 2.134 -5.374 1.00 . A A . 7 CYS H 1 1 7 2574 1 1 7 CYS HA H -2.736 1.402 -2.859 1.00 . A A . 7 CYS HA 1 1 7 2575 1 1 7 CYS HB2 H -3.880 1.310 -5.629 1.00 . A A . 7 CYS HB2 1 1 7 2576 1 1 7 CYS HB3 H -4.654 0.693 -4.179 1.00 . A A . 7 CYS HB3 1 1 7 2577 1 1 7 CYS N N -1.692 2.223 -4.440 1.00 . A A . 7 CYS N 1 1 7 2578 1 1 7 CYS O O -1.385 -0.429 -5.099 1.00 . A A . 7 CYS O 1 1 7 2579 1 1 7 CYS SG S -4.760 3.073 -4.303 1.00 . A A . 7 CYS SG 1 1 7 2580 1 1 8 VAL C C -3.796 -3.179 -3.235 1.00 . A A . 8 VAL C 1 1 7 2581 1 1 8 VAL CA C -2.526 -2.479 -3.589 1.00 . A A . 8 VAL CA 1 1 7 2582 1 1 8 VAL CB C -1.333 -3.058 -2.795 1.00 . A A . 8 VAL CB 1 1 7 2583 1 1 8 VAL CG1 C -1.424 -2.764 -1.301 1.00 . A A . 8 VAL CG1 1 1 7 2584 1 1 8 VAL CG2 C -1.143 -4.556 -3.046 1.00 . A A . 8 VAL CG2 1 1 7 2585 1 1 8 VAL H H -3.248 -0.781 -2.632 1.00 . A A . 8 VAL H 1 1 7 2586 1 1 8 VAL HA H -2.349 -2.626 -4.645 1.00 . A A . 8 VAL HA 1 1 7 2587 1 1 8 VAL HB H -0.506 -2.543 -3.241 1.00 . A A . 8 VAL HB 1 1 7 2588 1 1 8 VAL HG11 H -0.565 -3.181 -0.798 1.00 . A A . 8 VAL HG11 1 1 7 2589 1 1 8 VAL HG12 H -2.325 -3.209 -0.905 1.00 . A A . 8 VAL HG12 1 1 7 2590 1 1 8 VAL HG13 H -1.454 -1.697 -1.144 1.00 . A A . 8 VAL HG13 1 1 7 2591 1 1 8 VAL HG21 H -2.035 -5.085 -2.745 1.00 . A A . 8 VAL HG21 1 1 7 2592 1 1 8 VAL HG22 H -0.299 -4.914 -2.473 1.00 . A A . 8 VAL HG22 1 1 7 2593 1 1 8 VAL HG23 H -0.961 -4.725 -4.097 1.00 . A A . 8 VAL HG23 1 1 7 2594 1 1 8 VAL N N -2.704 -1.071 -3.401 1.00 . A A . 8 VAL N 1 1 7 2595 1 1 8 VAL O O -4.464 -2.836 -2.256 1.00 . A A . 8 VAL O 1 1 7 2596 1 1 9 GLU C C -5.030 -6.086 -3.057 1.00 . A A . 9 GLU C 1 1 7 2597 1 1 9 GLU CA C -5.349 -4.838 -3.818 1.00 . A A . 9 GLU CA 1 1 7 2598 1 1 9 GLU CB C -6.087 -5.131 -5.113 1.00 . A A . 9 GLU CB 1 1 7 2599 1 1 9 GLU CD C -8.241 -5.887 -6.144 1.00 . A A . 9 GLU CD 1 1 7 2600 1 1 9 GLU CG C -7.462 -5.732 -4.881 1.00 . A A . 9 GLU CG 1 1 7 2601 1 1 9 GLU H H -3.519 -4.272 -4.770 1.00 . A A . 9 GLU H 1 1 7 2602 1 1 9 GLU HA H -5.997 -4.266 -3.176 1.00 . A A . 9 GLU HA 1 1 7 2603 1 1 9 GLU HB2 H -6.203 -4.210 -5.666 1.00 . A A . 9 GLU HB2 1 1 7 2604 1 1 9 GLU HB3 H -5.505 -5.826 -5.700 1.00 . A A . 9 GLU HB3 1 1 7 2605 1 1 9 GLU HG2 H -7.344 -6.704 -4.427 1.00 . A A . 9 GLU HG2 1 1 7 2606 1 1 9 GLU HG3 H -8.010 -5.090 -4.208 1.00 . A A . 9 GLU HG3 1 1 7 2607 1 1 9 GLU N N -4.151 -4.099 -4.037 1.00 . A A . 9 GLU N 1 1 7 2608 1 1 9 GLU O O -4.427 -7.029 -3.590 1.00 . A A . 9 GLU O 1 1 7 2609 1 1 9 GLU OE1 O -8.067 -6.900 -6.833 1.00 . A A . 9 GLU OE1 1 1 7 2610 1 1 9 GLU OE2 O -9.049 -4.989 -6.472 1.00 . A A . 9 GLU OE2 1 1 7 2611 1 1 10 ASP C C -6.047 -8.328 -1.271 1.00 . A A . 10 ASP C 1 1 7 2612 1 1 10 ASP CA C -5.136 -7.191 -0.938 1.00 . A A . 10 ASP CA 1 1 7 2613 1 1 10 ASP CB C -5.244 -6.832 0.547 1.00 . A A . 10 ASP CB 1 1 7 2614 1 1 10 ASP CG C -5.129 -8.060 1.434 1.00 . A A . 10 ASP CG 1 1 7 2615 1 1 10 ASP H H -5.873 -5.289 -1.456 1.00 . A A . 10 ASP H 1 1 7 2616 1 1 10 ASP HA H -4.124 -7.509 -1.141 1.00 . A A . 10 ASP HA 1 1 7 2617 1 1 10 ASP HB2 H -4.456 -6.142 0.809 1.00 . A A . 10 ASP HB2 1 1 7 2618 1 1 10 ASP HB3 H -6.203 -6.370 0.729 1.00 . A A . 10 ASP HB3 1 1 7 2619 1 1 10 ASP N N -5.390 -6.074 -1.802 1.00 . A A . 10 ASP N 1 1 7 2620 1 1 10 ASP O O -7.269 -8.233 -1.126 1.00 . A A . 10 ASP O 1 1 7 2621 1 1 10 ASP OD1 O -6.026 -8.300 2.248 1.00 . A A . 10 ASP OD1 1 1 7 2622 1 1 10 ASP OD2 O -4.156 -8.836 1.299 1.00 . A A . 10 ASP OD2 1 1 7 2623 1 1 11 GLU C C -6.828 -11.254 -0.962 1.00 . A A . 11 GLU C 1 1 7 2624 1 1 11 GLU CA C -6.102 -10.609 -2.131 1.00 . A A . 11 GLU CA 1 1 7 2625 1 1 11 GLU CB C -5.065 -11.589 -2.652 1.00 . A A . 11 GLU CB 1 1 7 2626 1 1 11 GLU CD C -3.121 -12.016 -4.152 1.00 . A A . 11 GLU CD 1 1 7 2627 1 1 11 GLU CG C -4.253 -11.088 -3.828 1.00 . A A . 11 GLU CG 1 1 7 2628 1 1 11 GLU H H -4.457 -9.335 -1.794 1.00 . A A . 11 GLU H 1 1 7 2629 1 1 11 GLU HA H -6.796 -10.389 -2.929 1.00 . A A . 11 GLU HA 1 1 7 2630 1 1 11 GLU HB2 H -4.382 -11.826 -1.850 1.00 . A A . 11 GLU HB2 1 1 7 2631 1 1 11 GLU HB3 H -5.573 -12.493 -2.952 1.00 . A A . 11 GLU HB3 1 1 7 2632 1 1 11 GLU HG2 H -4.897 -11.009 -4.692 1.00 . A A . 11 GLU HG2 1 1 7 2633 1 1 11 GLU HG3 H -3.849 -10.116 -3.587 1.00 . A A . 11 GLU HG3 1 1 7 2634 1 1 11 GLU N N -5.435 -9.387 -1.723 1.00 . A A . 11 GLU N 1 1 7 2635 1 1 11 GLU O O -7.853 -11.907 -1.143 1.00 . A A . 11 GLU O 1 1 7 2636 1 1 11 GLU OE1 O -1.982 -11.745 -3.740 1.00 . A A . 11 GLU OE1 1 1 7 2637 1 1 11 GLU OE2 O -3.346 -13.067 -4.794 1.00 . A A . 11 GLU OE2 1 1 7 2638 1 1 12 THR C C -8.199 -11.059 1.765 1.00 . A A . 12 THR C 1 1 7 2639 1 1 12 THR CA C -6.821 -11.663 1.417 1.00 . A A . 12 THR CA 1 1 7 2640 1 1 12 THR CB C -5.839 -11.417 2.567 1.00 . A A . 12 THR CB 1 1 7 2641 1 1 12 THR CG2 C -5.980 -12.491 3.638 1.00 . A A . 12 THR CG2 1 1 7 2642 1 1 12 THR H H -5.507 -10.472 0.322 1.00 . A A . 12 THR H 1 1 7 2643 1 1 12 THR HA H -6.911 -12.727 1.258 1.00 . A A . 12 THR HA 1 1 7 2644 1 1 12 THR HB H -6.042 -10.445 2.993 1.00 . A A . 12 THR HB 1 1 7 2645 1 1 12 THR HG1 H -4.216 -10.517 1.970 1.00 . A A . 12 THR HG1 1 1 7 2646 1 1 12 THR HG21 H -5.284 -12.293 4.440 1.00 . A A . 12 THR HG21 1 1 7 2647 1 1 12 THR HG22 H -5.766 -13.458 3.208 1.00 . A A . 12 THR HG22 1 1 7 2648 1 1 12 THR HG23 H -6.988 -12.483 4.025 1.00 . A A . 12 THR HG23 1 1 7 2649 1 1 12 THR N N -6.295 -11.053 0.226 1.00 . A A . 12 THR N 1 1 7 2650 1 1 12 THR O O -9.206 -11.777 1.858 1.00 . A A . 12 THR O 1 1 7 2651 1 1 12 THR OG1 O -4.490 -11.447 2.034 1.00 . A A . 12 THR OG1 1 1 7 2652 1 1 13 SER C C -10.352 -8.848 1.043 1.00 . A A . 13 SER C 1 1 7 2653 1 1 13 SER CA C -9.454 -9.041 2.254 1.00 . A A . 13 SER CA 1 1 7 2654 1 1 13 SER CB C -9.092 -7.688 2.852 1.00 . A A . 13 SER CB 1 1 7 2655 1 1 13 SER H H -7.410 -9.218 1.814 1.00 . A A . 13 SER H 1 1 7 2656 1 1 13 SER HA H -9.990 -9.602 2.996 1.00 . A A . 13 SER HA 1 1 7 2657 1 1 13 SER HB2 H -8.705 -7.068 2.060 1.00 . A A . 13 SER HB2 1 1 7 2658 1 1 13 SER HB3 H -9.970 -7.229 3.281 1.00 . A A . 13 SER HB3 1 1 7 2659 1 1 13 SER HG H -7.248 -7.870 3.387 1.00 . A A . 13 SER HG 1 1 7 2660 1 1 13 SER N N -8.240 -9.746 1.905 1.00 . A A . 13 SER N 1 1 7 2661 1 1 13 SER O O -11.568 -8.708 1.177 1.00 . A A . 13 SER O 1 1 7 2662 1 1 13 SER OG O -8.095 -7.839 3.866 1.00 . A A . 13 SER OG 1 1 7 2663 1 1 14 GLY C C -10.782 -7.138 -1.424 1.00 . A A . 14 GLY C 1 1 7 2664 1 1 14 GLY CA C -10.486 -8.607 -1.340 1.00 . A A . 14 GLY CA 1 1 7 2665 1 1 14 GLY H H -8.788 -9.048 -0.189 1.00 . A A . 14 GLY H 1 1 7 2666 1 1 14 GLY HA2 H -9.898 -8.915 -2.193 1.00 . A A . 14 GLY HA2 1 1 7 2667 1 1 14 GLY HA3 H -11.417 -9.152 -1.319 1.00 . A A . 14 GLY HA3 1 1 7 2668 1 1 14 GLY N N -9.752 -8.868 -0.132 1.00 . A A . 14 GLY N 1 1 7 2669 1 1 14 GLY O O -11.849 -6.725 -1.883 1.00 . A A . 14 GLY O 1 1 7 2670 1 1 15 ALA C C -8.677 -4.227 -1.168 1.00 . A A . 15 ALA C 1 1 7 2671 1 1 15 ALA CA C -9.992 -4.924 -0.866 1.00 . A A . 15 ALA CA 1 1 7 2672 1 1 15 ALA CB C -10.481 -4.542 0.520 1.00 . A A . 15 ALA CB 1 1 7 2673 1 1 15 ALA H H -9.001 -6.765 -0.642 1.00 . A A . 15 ALA H 1 1 7 2674 1 1 15 ALA HA H -10.738 -4.617 -1.584 1.00 . A A . 15 ALA HA 1 1 7 2675 1 1 15 ALA HB1 H -10.657 -3.479 0.564 1.00 . A A . 15 ALA HB1 1 1 7 2676 1 1 15 ALA HB2 H -9.727 -4.812 1.245 1.00 . A A . 15 ALA HB2 1 1 7 2677 1 1 15 ALA HB3 H -11.394 -5.074 0.740 1.00 . A A . 15 ALA HB3 1 1 7 2678 1 1 15 ALA N N -9.840 -6.355 -0.944 1.00 . A A . 15 ALA N 1 1 7 2679 1 1 15 ALA O O -7.606 -4.693 -0.762 1.00 . A A . 15 ALA O 1 1 7 2680 1 1 16 LYS C C -7.325 -1.304 -1.223 1.00 . A A . 16 LYS C 1 1 7 2681 1 1 16 LYS CA C -7.606 -2.369 -2.256 1.00 . A A . 16 LYS CA 1 1 7 2682 1 1 16 LYS CB C -7.773 -1.787 -3.658 1.00 . A A . 16 LYS CB 1 1 7 2683 1 1 16 LYS CD C -6.885 -0.375 -5.549 1.00 . A A . 16 LYS CD 1 1 7 2684 1 1 16 LYS CE C -8.182 0.443 -5.679 1.00 . A A . 16 LYS CE 1 1 7 2685 1 1 16 LYS CG C -6.636 -0.915 -4.130 1.00 . A A . 16 LYS CG 1 1 7 2686 1 1 16 LYS H H -9.618 -2.875 -2.262 1.00 . A A . 16 LYS H 1 1 7 2687 1 1 16 LYS HA H -6.728 -2.983 -2.235 1.00 . A A . 16 LYS HA 1 1 7 2688 1 1 16 LYS HB2 H -7.897 -2.590 -4.367 1.00 . A A . 16 LYS HB2 1 1 7 2689 1 1 16 LYS HB3 H -8.668 -1.185 -3.653 1.00 . A A . 16 LYS HB3 1 1 7 2690 1 1 16 LYS HD2 H -6.058 0.261 -5.825 1.00 . A A . 16 LYS HD2 1 1 7 2691 1 1 16 LYS HD3 H -6.925 -1.211 -6.230 1.00 . A A . 16 LYS HD3 1 1 7 2692 1 1 16 LYS HE2 H -8.311 0.709 -6.717 1.00 . A A . 16 LYS HE2 1 1 7 2693 1 1 16 LYS HE3 H -9.016 -0.176 -5.383 1.00 . A A . 16 LYS HE3 1 1 7 2694 1 1 16 LYS HG2 H -6.510 -0.115 -3.418 1.00 . A A . 16 LYS HG2 1 1 7 2695 1 1 16 LYS HG3 H -5.737 -1.514 -4.133 1.00 . A A . 16 LYS HG3 1 1 7 2696 1 1 16 LYS HZ1 H -9.083 2.180 -5.012 1.00 . A A . 16 LYS HZ1 1 1 7 2697 1 1 16 LYS HZ2 H -7.437 2.361 -5.140 1.00 . A A . 16 LYS HZ2 1 1 7 2698 1 1 16 LYS HZ3 H -8.120 1.487 -3.846 1.00 . A A . 16 LYS HZ3 1 1 7 2699 1 1 16 LYS N N -8.753 -3.155 -1.907 1.00 . A A . 16 LYS N 1 1 7 2700 1 1 16 LYS NZ N -8.179 1.686 -4.864 1.00 . A A . 16 LYS NZ 1 1 7 2701 1 1 16 LYS O O -8.133 -0.413 -0.984 1.00 . A A . 16 LYS O 1 1 7 2702 1 1 17 THR C C -4.837 0.529 -0.323 1.00 . A A . 17 THR C 1 1 7 2703 1 1 17 THR CA C -5.742 -0.484 0.366 1.00 . A A . 17 THR CA 1 1 7 2704 1 1 17 THR CB C -4.951 -1.230 1.452 1.00 . A A . 17 THR CB 1 1 7 2705 1 1 17 THR CG2 C -4.814 -0.373 2.700 1.00 . A A . 17 THR CG2 1 1 7 2706 1 1 17 THR H H -5.532 -2.103 -0.906 1.00 . A A . 17 THR H 1 1 7 2707 1 1 17 THR HA H -6.600 0.004 0.805 1.00 . A A . 17 THR HA 1 1 7 2708 1 1 17 THR HB H -3.971 -1.466 1.068 1.00 . A A . 17 THR HB 1 1 7 2709 1 1 17 THR HG1 H -6.565 -2.340 1.499 1.00 . A A . 17 THR HG1 1 1 7 2710 1 1 17 THR HG21 H -5.797 -0.137 3.084 1.00 . A A . 17 THR HG21 1 1 7 2711 1 1 17 THR HG22 H -4.298 0.542 2.448 1.00 . A A . 17 THR HG22 1 1 7 2712 1 1 17 THR HG23 H -4.254 -0.908 3.452 1.00 . A A . 17 THR HG23 1 1 7 2713 1 1 17 THR N N -6.170 -1.403 -0.630 1.00 . A A . 17 THR N 1 1 7 2714 1 1 17 THR O O -4.144 0.181 -1.298 1.00 . A A . 17 THR O 1 1 7 2715 1 1 17 THR OG1 O -5.652 -2.446 1.802 1.00 . A A . 17 THR OG1 1 1 7 2716 1 1 18 CYS C C -3.365 3.598 0.525 1.00 . A A . 18 CYS C 1 1 7 2717 1 1 18 CYS CA C -4.064 2.766 -0.502 1.00 . A A . 18 CYS CA 1 1 7 2718 1 1 18 CYS CB C -4.927 3.670 -1.362 1.00 . A A . 18 CYS CB 1 1 7 2719 1 1 18 CYS H H -5.389 2.005 0.906 1.00 . A A . 18 CYS H 1 1 7 2720 1 1 18 CYS HA H -3.332 2.292 -1.136 1.00 . A A . 18 CYS HA 1 1 7 2721 1 1 18 CYS HB2 H -5.578 4.231 -0.714 1.00 . A A . 18 CYS HB2 1 1 7 2722 1 1 18 CYS HB3 H -4.279 4.381 -1.855 1.00 . A A . 18 CYS HB3 1 1 7 2723 1 1 18 CYS N N -4.853 1.752 0.123 1.00 . A A . 18 CYS N 1 1 7 2724 1 1 18 CYS O O -3.752 3.622 1.700 1.00 . A A . 18 CYS O 1 1 7 2725 1 1 18 CYS SG S -5.896 2.815 -2.651 1.00 . A A . 18 CYS SG 1 1 7 2726 1 1 19 VAL C C -1.453 6.458 0.075 1.00 . A A . 19 VAL C 1 1 7 2727 1 1 19 VAL CA C -1.568 5.176 0.878 1.00 . A A . 19 VAL CA 1 1 7 2728 1 1 19 VAL CB C -0.136 4.636 1.172 1.00 . A A . 19 VAL CB 1 1 7 2729 1 1 19 VAL CG1 C 0.643 5.601 2.060 1.00 . A A . 19 VAL CG1 1 1 7 2730 1 1 19 VAL CG2 C -0.189 3.262 1.812 1.00 . A A . 19 VAL CG2 1 1 7 2731 1 1 19 VAL H H -2.121 4.165 -0.873 1.00 . A A . 19 VAL H 1 1 7 2732 1 1 19 VAL HA H -2.096 5.365 1.801 1.00 . A A . 19 VAL HA 1 1 7 2733 1 1 19 VAL HB H 0.387 4.556 0.230 1.00 . A A . 19 VAL HB 1 1 7 2734 1 1 19 VAL HG11 H 0.724 6.559 1.567 1.00 . A A . 19 VAL HG11 1 1 7 2735 1 1 19 VAL HG12 H 1.631 5.206 2.243 1.00 . A A . 19 VAL HG12 1 1 7 2736 1 1 19 VAL HG13 H 0.125 5.723 3.000 1.00 . A A . 19 VAL HG13 1 1 7 2737 1 1 19 VAL HG21 H 0.816 2.919 2.007 1.00 . A A . 19 VAL HG21 1 1 7 2738 1 1 19 VAL HG22 H -0.683 2.574 1.140 1.00 . A A . 19 VAL HG22 1 1 7 2739 1 1 19 VAL HG23 H -0.740 3.317 2.739 1.00 . A A . 19 VAL HG23 1 1 7 2740 1 1 19 VAL N N -2.349 4.267 0.078 1.00 . A A . 19 VAL N 1 1 7 2741 1 1 19 VAL O O -0.941 6.420 -1.044 1.00 . A A . 19 VAL O 1 1 7 2742 1 1 20 PRO C C -3.956 6.938 1.960 1.00 . A A . 20 PRO C 1 1 7 2743 1 1 20 PRO CA C -2.632 7.699 1.894 1.00 . A A . 20 PRO CA 1 1 7 2744 1 1 20 PRO CB C -2.896 9.194 2.037 1.00 . A A . 20 PRO CB 1 1 7 2745 1 1 20 PRO CD C -1.932 8.899 -0.096 1.00 . A A . 20 PRO CD 1 1 7 2746 1 1 20 PRO CG C -2.973 9.676 0.643 1.00 . A A . 20 PRO CG 1 1 7 2747 1 1 20 PRO HA H -1.986 7.371 2.695 1.00 . A A . 20 PRO HA 1 1 7 2748 1 1 20 PRO HB2 H -3.829 9.340 2.561 1.00 . A A . 20 PRO HB2 1 1 7 2749 1 1 20 PRO HB3 H -2.088 9.655 2.584 1.00 . A A . 20 PRO HB3 1 1 7 2750 1 1 20 PRO HD2 H -2.199 8.803 -1.139 1.00 . A A . 20 PRO HD2 1 1 7 2751 1 1 20 PRO HD3 H -0.962 9.363 0.007 1.00 . A A . 20 PRO HD3 1 1 7 2752 1 1 20 PRO HG2 H -3.956 9.462 0.248 1.00 . A A . 20 PRO HG2 1 1 7 2753 1 1 20 PRO HG3 H -2.777 10.733 0.589 1.00 . A A . 20 PRO HG3 1 1 7 2754 1 1 20 PRO N N -1.964 7.598 0.581 1.00 . A A . 20 PRO N 1 1 7 2755 1 1 20 PRO O O -4.607 6.670 0.919 1.00 . A A . 20 PRO O 1 1 7 2756 1 1 21 ASP C C -6.746 6.446 2.850 1.00 . A A . 21 ASP C 1 1 7 2757 1 1 21 ASP CA C -5.527 5.840 3.490 1.00 . A A . 21 ASP CA 1 1 7 2758 1 1 21 ASP CB C -5.740 5.774 4.995 1.00 . A A . 21 ASP CB 1 1 7 2759 1 1 21 ASP CG C -6.895 4.889 5.377 1.00 . A A . 21 ASP CG 1 1 7 2760 1 1 21 ASP H H -3.753 6.901 3.913 1.00 . A A . 21 ASP H 1 1 7 2761 1 1 21 ASP HA H -5.394 4.835 3.120 1.00 . A A . 21 ASP HA 1 1 7 2762 1 1 21 ASP HB2 H -4.849 5.402 5.478 1.00 . A A . 21 ASP HB2 1 1 7 2763 1 1 21 ASP HB3 H -5.951 6.773 5.343 1.00 . A A . 21 ASP HB3 1 1 7 2764 1 1 21 ASP N N -4.330 6.606 3.177 1.00 . A A . 21 ASP N 1 1 7 2765 1 1 21 ASP O O -7.085 7.608 3.116 1.00 . A A . 21 ASP O 1 1 7 2766 1 1 21 ASP OD1 O -8.036 5.389 5.546 1.00 . A A . 21 ASP OD1 1 1 7 2767 1 1 21 ASP OD2 O -6.688 3.672 5.505 1.00 . A A . 21 ASP OD2 1 1 7 2768 1 1 22 ASN C C -8.430 7.339 0.526 1.00 . A A . 22 ASN C 1 1 7 2769 1 1 22 ASN CA C -8.569 6.028 1.274 1.00 . A A . 22 ASN CA 1 1 7 2770 1 1 22 ASN CB C -9.805 6.061 2.179 1.00 . A A . 22 ASN CB 1 1 7 2771 1 1 22 ASN CG C -10.269 4.700 2.640 1.00 . A A . 22 ASN CG 1 1 7 2772 1 1 22 ASN H H -7.033 4.756 1.867 1.00 . A A . 22 ASN H 1 1 7 2773 1 1 22 ASN HA H -8.724 5.251 0.542 1.00 . A A . 22 ASN HA 1 1 7 2774 1 1 22 ASN HB2 H -9.602 6.668 3.049 1.00 . A A . 22 ASN HB2 1 1 7 2775 1 1 22 ASN HB3 H -10.593 6.513 1.602 1.00 . A A . 22 ASN HB3 1 1 7 2776 1 1 22 ASN HD21 H -9.194 4.829 4.312 1.00 . A A . 22 ASN HD21 1 1 7 2777 1 1 22 ASN HD22 H -10.130 3.403 4.102 1.00 . A A . 22 ASN HD22 1 1 7 2778 1 1 22 ASN N N -7.377 5.661 2.002 1.00 . A A . 22 ASN N 1 1 7 2779 1 1 22 ASN ND2 N -9.818 4.274 3.782 1.00 . A A . 22 ASN ND2 1 1 7 2780 1 1 22 ASN O O -9.285 8.211 0.651 1.00 . A A . 22 ASN O 1 1 7 2781 1 1 22 ASN OD1 O -11.058 4.038 1.959 1.00 . A A . 22 ASN OD1 1 1 7 2782 1 1 23 CYS C C -8.355 8.990 -1.920 1.00 . A A . 23 CYS C 1 1 7 2783 1 1 23 CYS CA C -7.129 8.683 -1.066 1.00 . A A . 23 CYS CA 1 1 7 2784 1 1 23 CYS CB C -5.874 8.531 -1.934 1.00 . A A . 23 CYS CB 1 1 7 2785 1 1 23 CYS H H -6.628 6.818 -0.221 1.00 . A A . 23 CYS H 1 1 7 2786 1 1 23 CYS HA H -6.999 9.514 -0.398 1.00 . A A . 23 CYS HA 1 1 7 2787 1 1 23 CYS HB2 H -5.771 9.399 -2.566 1.00 . A A . 23 CYS HB2 1 1 7 2788 1 1 23 CYS HB3 H -5.009 8.448 -1.294 1.00 . A A . 23 CYS HB3 1 1 7 2789 1 1 23 CYS N N -7.343 7.490 -0.239 1.00 . A A . 23 CYS N 1 1 7 2790 1 1 23 CYS O O -8.816 10.130 -1.995 1.00 . A A . 23 CYS O 1 1 7 2791 1 1 23 CYS SG S -5.898 7.065 -3.023 1.00 . A A . 23 CYS SG 1 1 7 2792 1 1 24 ASP C C -11.326 7.775 -2.456 1.00 . A A . 24 ASP C 1 1 7 2793 1 1 24 ASP CA C -10.115 8.125 -3.276 1.00 . A A . 24 ASP CA 1 1 7 2794 1 1 24 ASP CB C -10.097 7.337 -4.602 1.00 . A A . 24 ASP CB 1 1 7 2795 1 1 24 ASP CG C -9.038 7.796 -5.585 1.00 . A A . 24 ASP CG 1 1 7 2796 1 1 24 ASP H H -8.516 7.095 -2.306 1.00 . A A . 24 ASP H 1 1 7 2797 1 1 24 ASP HA H -10.185 9.180 -3.494 1.00 . A A . 24 ASP HA 1 1 7 2798 1 1 24 ASP HB2 H -9.914 6.296 -4.382 1.00 . A A . 24 ASP HB2 1 1 7 2799 1 1 24 ASP HB3 H -11.066 7.427 -5.071 1.00 . A A . 24 ASP HB3 1 1 7 2800 1 1 24 ASP N N -8.924 7.966 -2.483 1.00 . A A . 24 ASP N 1 1 7 2801 1 1 24 ASP O O -11.859 6.661 -2.520 1.00 . A A . 24 ASP O 1 1 7 2802 1 1 24 ASP OD1 O -8.055 7.065 -5.800 1.00 . A A . 24 ASP OD1 1 1 7 2803 1 1 24 ASP OD2 O -9.178 8.906 -6.179 1.00 . A A . 24 ASP OD2 1 1 7 2804 1 1 25 ALA C C -13.285 9.964 -0.295 1.00 . A A . 25 ALA C 1 1 7 2805 1 1 25 ALA CA C -12.871 8.589 -0.771 1.00 . A A . 25 ALA CA 1 1 7 2806 1 1 25 ALA CB C -12.574 7.706 0.434 1.00 . A A . 25 ALA CB 1 1 7 2807 1 1 25 ALA H H -11.104 9.482 -1.558 1.00 . A A . 25 ALA H 1 1 7 2808 1 1 25 ALA HA H -13.671 8.144 -1.342 1.00 . A A . 25 ALA HA 1 1 7 2809 1 1 25 ALA HB1 H -11.782 8.155 1.014 1.00 . A A . 25 ALA HB1 1 1 7 2810 1 1 25 ALA HB2 H -12.265 6.727 0.096 1.00 . A A . 25 ALA HB2 1 1 7 2811 1 1 25 ALA HB3 H -13.460 7.616 1.043 1.00 . A A . 25 ALA HB3 1 1 7 2812 1 1 25 ALA N N -11.694 8.701 -1.621 1.00 . A A . 25 ALA N 1 1 7 2813 1 1 25 ALA O O -14.071 10.099 0.642 1.00 . A A . 25 ALA O 1 1 7 2814 1 1 26 SER C C -14.436 12.766 -0.908 1.00 . A A . 26 SER C 1 1 7 2815 1 1 26 SER CA C -13.019 12.328 -0.566 1.00 . A A . 26 SER CA 1 1 7 2816 1 1 26 SER CB C -11.989 13.235 -1.244 1.00 . A A . 26 SER CB 1 1 7 2817 1 1 26 SER H H -12.342 10.807 -1.823 1.00 . A A . 26 SER H 1 1 7 2818 1 1 26 SER HA H -12.880 12.384 0.503 1.00 . A A . 26 SER HA 1 1 7 2819 1 1 26 SER HB2 H -10.998 12.861 -1.037 1.00 . A A . 26 SER HB2 1 1 7 2820 1 1 26 SER HB3 H -12.154 13.230 -2.310 1.00 . A A . 26 SER HB3 1 1 7 2821 1 1 26 SER HG H -11.173 14.798 -0.472 1.00 . A A . 26 SER HG 1 1 7 2822 1 1 26 SER N N -12.808 10.971 -0.976 1.00 . A A . 26 SER N 1 1 7 2823 1 1 26 SER O O -14.923 12.526 -2.013 1.00 . A A . 26 SER O 1 1 7 2824 1 1 26 SER OG O -12.071 14.573 -0.774 1.00 . A A . 26 SER OG 1 1 7 2825 1 1 27 ARG C C -16.482 15.326 0.212 1.00 . A A . 27 ARG C 1 1 7 2826 1 1 27 ARG CA C -16.443 13.856 -0.151 1.00 . A A . 27 ARG CA 1 1 7 2827 1 1 27 ARG CB C -17.458 13.070 0.689 1.00 . A A . 27 ARG CB 1 1 7 2828 1 1 27 ARG CD C -18.473 10.840 1.271 1.00 . A A . 27 ARG CD 1 1 7 2829 1 1 27 ARG CG C -17.529 11.591 0.347 1.00 . A A . 27 ARG CG 1 1 7 2830 1 1 27 ARG CZ C -18.255 9.931 3.584 1.00 . A A . 27 ARG CZ 1 1 7 2831 1 1 27 ARG H H -14.696 13.439 0.938 1.00 . A A . 27 ARG H 1 1 7 2832 1 1 27 ARG HA H -16.688 13.744 -1.196 1.00 . A A . 27 ARG HA 1 1 7 2833 1 1 27 ARG HB2 H -17.189 13.164 1.732 1.00 . A A . 27 ARG HB2 1 1 7 2834 1 1 27 ARG HB3 H -18.437 13.501 0.544 1.00 . A A . 27 ARG HB3 1 1 7 2835 1 1 27 ARG HD2 H -19.455 11.284 1.196 1.00 . A A . 27 ARG HD2 1 1 7 2836 1 1 27 ARG HD3 H -18.524 9.808 0.956 1.00 . A A . 27 ARG HD3 1 1 7 2837 1 1 27 ARG HE H -17.565 11.710 2.956 1.00 . A A . 27 ARG HE 1 1 7 2838 1 1 27 ARG HG2 H -17.877 11.484 -0.671 1.00 . A A . 27 ARG HG2 1 1 7 2839 1 1 27 ARG HG3 H -16.538 11.170 0.435 1.00 . A A . 27 ARG HG3 1 1 7 2840 1 1 27 ARG HH11 H -19.135 8.563 2.306 1.00 . A A . 27 ARG HH11 1 1 7 2841 1 1 27 ARG HH12 H -19.001 8.066 3.921 1.00 . A A . 27 ARG HH12 1 1 7 2842 1 1 27 ARG HH21 H -17.393 10.952 5.119 1.00 . A A . 27 ARG HH21 1 1 7 2843 1 1 27 ARG HH22 H -18.012 9.408 5.538 1.00 . A A . 27 ARG HH22 1 1 7 2844 1 1 27 ARG N N -15.110 13.350 0.051 1.00 . A A . 27 ARG N 1 1 7 2845 1 1 27 ARG NE N -18.038 10.890 2.676 1.00 . A A . 27 ARG NE 1 1 7 2846 1 1 27 ARG NH1 N -18.836 8.783 3.237 1.00 . A A . 27 ARG NH1 1 1 7 2847 1 1 27 ARG NH2 N -17.859 10.108 4.833 1.00 . A A . 27 ARG NH2 1 1 7 2848 1 1 27 ARG O O -16.611 15.680 1.382 1.00 . A A . 27 ARG O 1 1 7 2849 1 1 28 GLY C C -15.704 18.318 -1.698 1.00 . A A . 28 GLY C 1 1 7 2850 1 1 28 GLY CA C -16.315 17.587 -0.539 1.00 . A A . 28 GLY CA 1 1 7 2851 1 1 28 GLY H H -16.142 15.846 -1.684 1.00 . A A . 28 GLY H 1 1 7 2852 1 1 28 GLY HA2 H -17.336 17.916 -0.405 1.00 . A A . 28 GLY HA2 1 1 7 2853 1 1 28 GLY HA3 H -15.748 17.807 0.353 1.00 . A A . 28 GLY HA3 1 1 7 2854 1 1 28 GLY N N -16.304 16.169 -0.769 1.00 . A A . 28 GLY N 1 1 7 2855 1 1 28 GLY O O -15.989 17.995 -2.853 1.00 . A A . 28 GLY O 1 1 7 2856 1 1 29 THR C C -12.688 19.894 -2.317 1.00 . A A . 29 THR C 1 1 7 2857 1 1 29 THR CA C -14.215 20.016 -2.463 1.00 . A A . 29 THR CA 1 1 7 2858 1 1 29 THR CB C -14.676 21.512 -2.512 1.00 . A A . 29 THR CB 1 1 7 2859 1 1 29 THR CG2 C -14.346 22.249 -1.217 1.00 . A A . 29 THR CG2 1 1 7 2860 1 1 29 THR H H -14.715 19.528 -0.482 1.00 . A A . 29 THR H 1 1 7 2861 1 1 29 THR HA H -14.491 19.539 -3.392 1.00 . A A . 29 THR HA 1 1 7 2862 1 1 29 THR HB H -15.748 21.521 -2.654 1.00 . A A . 29 THR HB 1 1 7 2863 1 1 29 THR HG1 H -13.784 21.531 -4.260 1.00 . A A . 29 THR HG1 1 1 7 2864 1 1 29 THR HG21 H -14.857 21.774 -0.393 1.00 . A A . 29 THR HG21 1 1 7 2865 1 1 29 THR HG22 H -14.662 23.278 -1.296 1.00 . A A . 29 THR HG22 1 1 7 2866 1 1 29 THR HG23 H -13.279 22.210 -1.048 1.00 . A A . 29 THR HG23 1 1 7 2867 1 1 29 THR N N -14.880 19.285 -1.419 1.00 . A A . 29 THR N 1 1 7 2868 1 1 29 THR O O -11.934 20.189 -3.256 1.00 . A A . 29 THR O 1 1 7 2869 1 1 29 THR OG1 O -14.075 22.196 -3.620 1.00 . A A . 29 THR OG1 1 1 7 2870 1 1 30 ASN C C -10.518 17.769 -0.900 1.00 . A A . 30 ASN C 1 1 7 2871 1 1 30 ASN CA C -10.823 19.245 -0.918 1.00 . A A . 30 ASN CA 1 1 7 2872 1 1 30 ASN CB C -10.374 19.867 0.411 1.00 . A A . 30 ASN CB 1 1 7 2873 1 1 30 ASN CG C -10.321 21.384 0.414 1.00 . A A . 30 ASN CG 1 1 7 2874 1 1 30 ASN H H -12.865 19.218 -0.446 1.00 . A A . 30 ASN H 1 1 7 2875 1 1 30 ASN HA H -10.284 19.715 -1.727 1.00 . A A . 30 ASN HA 1 1 7 2876 1 1 30 ASN HB2 H -11.059 19.558 1.187 1.00 . A A . 30 ASN HB2 1 1 7 2877 1 1 30 ASN HB3 H -9.393 19.485 0.644 1.00 . A A . 30 ASN HB3 1 1 7 2878 1 1 30 ASN HD21 H -8.807 21.330 1.679 1.00 . A A . 30 ASN HD21 1 1 7 2879 1 1 30 ASN HD22 H -9.332 22.904 1.204 1.00 . A A . 30 ASN HD22 1 1 7 2880 1 1 30 ASN N N -12.239 19.442 -1.165 1.00 . A A . 30 ASN N 1 1 7 2881 1 1 30 ASN ND2 N -9.399 21.926 1.171 1.00 . A A . 30 ASN ND2 1 1 7 2882 1 1 30 ASN O O -11.031 17.052 -0.027 1.00 . A A . 30 ASN O 1 1 7 2883 1 1 30 ASN OD1 O -11.091 22.062 -0.266 1.00 . A A . 30 ASN OD1 1 1 7 2884 1 1 31 PRO C C -8.723 15.302 -0.713 1.00 . A A . 31 PRO C 1 1 7 2885 1 1 31 PRO CA C -9.343 15.860 -1.986 1.00 . A A . 31 PRO CA 1 1 7 2886 1 1 31 PRO CB C -8.327 15.826 -3.129 1.00 . A A . 31 PRO CB 1 1 7 2887 1 1 31 PRO CD C -9.038 18.092 -2.907 1.00 . A A . 31 PRO CD 1 1 7 2888 1 1 31 PRO CG C -8.578 17.069 -3.900 1.00 . A A . 31 PRO CG 1 1 7 2889 1 1 31 PRO HA H -10.207 15.266 -2.247 1.00 . A A . 31 PRO HA 1 1 7 2890 1 1 31 PRO HB2 H -7.327 15.801 -2.722 1.00 . A A . 31 PRO HB2 1 1 7 2891 1 1 31 PRO HB3 H -8.492 14.946 -3.734 1.00 . A A . 31 PRO HB3 1 1 7 2892 1 1 31 PRO HD2 H -8.195 18.638 -2.507 1.00 . A A . 31 PRO HD2 1 1 7 2893 1 1 31 PRO HD3 H -9.737 18.766 -3.378 1.00 . A A . 31 PRO HD3 1 1 7 2894 1 1 31 PRO HG2 H -7.665 17.395 -4.377 1.00 . A A . 31 PRO HG2 1 1 7 2895 1 1 31 PRO HG3 H -9.344 16.892 -4.641 1.00 . A A . 31 PRO HG3 1 1 7 2896 1 1 31 PRO N N -9.698 17.283 -1.863 1.00 . A A . 31 PRO N 1 1 7 2897 1 1 31 PRO O O -9.424 14.602 0.032 1.00 . A A . 31 PRO O 1 1 7 2898 1 1 31 PRO OXT O -7.545 15.593 -0.428 1.00 . A A . 31 PRO OXT 1 1 8 2899 1 1 1 ASP C C -0.886 18.256 -3.848 1.00 . A A . 1 ASP C 1 1 8 2900 1 1 1 ASP CA C -0.839 19.540 -3.066 1.00 . A A . 1 ASP CA 1 1 8 2901 1 1 1 ASP CB C -0.440 19.249 -1.613 1.00 . A A . 1 ASP CB 1 1 8 2902 1 1 1 ASP CG C 0.928 18.619 -1.482 1.00 . A A . 1 ASP CG 1 1 8 2903 1 1 1 ASP H1 H -2.415 20.368 -4.098 1.00 . A A . 1 ASP H1 1 1 8 2904 1 1 1 ASP H2 H -2.183 21.054 -2.574 1.00 . A A . 1 ASP H2 1 1 8 2905 1 1 1 ASP H3 H -2.872 19.519 -2.724 1.00 . A A . 1 ASP H3 1 1 8 2906 1 1 1 ASP HA H -0.121 20.210 -3.514 1.00 . A A . 1 ASP HA 1 1 8 2907 1 1 1 ASP HB2 H -0.436 20.175 -1.055 1.00 . A A . 1 ASP HB2 1 1 8 2908 1 1 1 ASP HB3 H -1.167 18.580 -1.177 1.00 . A A . 1 ASP HB3 1 1 8 2909 1 1 1 ASP N N -2.159 20.164 -3.113 1.00 . A A . 1 ASP N 1 1 8 2910 1 1 1 ASP O O -1.933 17.596 -3.892 1.00 . A A . 1 ASP O 1 1 8 2911 1 1 1 ASP OD1 O 1.030 17.377 -1.478 1.00 . A A . 1 ASP OD1 1 1 8 2912 1 1 1 ASP OD2 O 1.918 19.356 -1.352 1.00 . A A . 1 ASP OD2 1 1 8 2913 1 1 2 VAL C C 0.800 15.578 -4.356 1.00 . A A . 2 VAL C 1 1 8 2914 1 1 2 VAL CA C 0.251 16.670 -5.238 1.00 . A A . 2 VAL CA 1 1 8 2915 1 1 2 VAL CB C 1.113 16.781 -6.518 1.00 . A A . 2 VAL CB 1 1 8 2916 1 1 2 VAL CG1 C 1.048 15.489 -7.325 1.00 . A A . 2 VAL CG1 1 1 8 2917 1 1 2 VAL CG2 C 0.670 17.961 -7.356 1.00 . A A . 2 VAL CG2 1 1 8 2918 1 1 2 VAL H H 1.011 18.453 -4.452 1.00 . A A . 2 VAL H 1 1 8 2919 1 1 2 VAL HA H -0.761 16.411 -5.514 1.00 . A A . 2 VAL HA 1 1 8 2920 1 1 2 VAL HB H 2.141 16.934 -6.222 1.00 . A A . 2 VAL HB 1 1 8 2921 1 1 2 VAL HG11 H 0.024 15.295 -7.607 1.00 . A A . 2 VAL HG11 1 1 8 2922 1 1 2 VAL HG12 H 1.414 14.669 -6.724 1.00 . A A . 2 VAL HG12 1 1 8 2923 1 1 2 VAL HG13 H 1.654 15.582 -8.214 1.00 . A A . 2 VAL HG13 1 1 8 2924 1 1 2 VAL HG21 H 0.773 18.870 -6.782 1.00 . A A . 2 VAL HG21 1 1 8 2925 1 1 2 VAL HG22 H -0.363 17.830 -7.639 1.00 . A A . 2 VAL HG22 1 1 8 2926 1 1 2 VAL HG23 H 1.282 18.025 -8.244 1.00 . A A . 2 VAL HG23 1 1 8 2927 1 1 2 VAL N N 0.201 17.899 -4.489 1.00 . A A . 2 VAL N 1 1 8 2928 1 1 2 VAL O O 2.006 15.488 -4.127 1.00 . A A . 2 VAL O 1 1 8 2929 1 1 3 SER C C -0.019 12.400 -3.694 1.00 . A A . 3 SER C 1 1 8 2930 1 1 3 SER CA C 0.307 13.712 -2.983 1.00 . A A . 3 SER CA 1 1 8 2931 1 1 3 SER CB C -0.448 13.797 -1.667 1.00 . A A . 3 SER CB 1 1 8 2932 1 1 3 SER H H -1.030 14.942 -3.999 1.00 . A A . 3 SER H 1 1 8 2933 1 1 3 SER HA H 1.368 13.776 -2.790 1.00 . A A . 3 SER HA 1 1 8 2934 1 1 3 SER HB2 H -1.498 13.621 -1.851 1.00 . A A . 3 SER HB2 1 1 8 2935 1 1 3 SER HB3 H -0.068 13.045 -0.994 1.00 . A A . 3 SER HB3 1 1 8 2936 1 1 3 SER HG H 0.264 15.652 -1.607 1.00 . A A . 3 SER HG 1 1 8 2937 1 1 3 SER N N -0.076 14.798 -3.819 1.00 . A A . 3 SER N 1 1 8 2938 1 1 3 SER O O -1.176 11.977 -3.709 1.00 . A A . 3 SER O 1 1 8 2939 1 1 3 SER OG O -0.296 15.078 -1.063 1.00 . A A . 3 SER OG 1 1 8 2940 1 1 4 PRO C C 0.359 9.404 -4.115 1.00 . A A . 4 PRO C 1 1 8 2941 1 1 4 PRO CA C 0.765 10.516 -5.063 1.00 . A A . 4 PRO CA 1 1 8 2942 1 1 4 PRO CB C 2.130 10.213 -5.692 1.00 . A A . 4 PRO CB 1 1 8 2943 1 1 4 PRO CD C 2.354 12.252 -4.498 1.00 . A A . 4 PRO CD 1 1 8 2944 1 1 4 PRO CG C 2.822 11.527 -5.724 1.00 . A A . 4 PRO CG 1 1 8 2945 1 1 4 PRO HA H 0.016 10.612 -5.834 1.00 . A A . 4 PRO HA 1 1 8 2946 1 1 4 PRO HB2 H 2.653 9.492 -5.083 1.00 . A A . 4 PRO HB2 1 1 8 2947 1 1 4 PRO HB3 H 1.989 9.811 -6.684 1.00 . A A . 4 PRO HB3 1 1 8 2948 1 1 4 PRO HD2 H 2.948 11.976 -3.640 1.00 . A A . 4 PRO HD2 1 1 8 2949 1 1 4 PRO HD3 H 2.380 13.321 -4.655 1.00 . A A . 4 PRO HD3 1 1 8 2950 1 1 4 PRO HG2 H 3.891 11.382 -5.700 1.00 . A A . 4 PRO HG2 1 1 8 2951 1 1 4 PRO HG3 H 2.537 12.071 -6.613 1.00 . A A . 4 PRO HG3 1 1 8 2952 1 1 4 PRO N N 0.970 11.778 -4.359 1.00 . A A . 4 PRO N 1 1 8 2953 1 1 4 PRO O O 0.988 9.189 -3.067 1.00 . A A . 4 PRO O 1 1 8 2954 1 1 5 CYS C C -0.752 6.383 -4.290 1.00 . A A . 5 CYS C 1 1 8 2955 1 1 5 CYS CA C -1.186 7.665 -3.657 1.00 . A A . 5 CYS CA 1 1 8 2956 1 1 5 CYS CB C -2.690 7.677 -3.650 1.00 . A A . 5 CYS CB 1 1 8 2957 1 1 5 CYS H H -1.174 8.977 -5.270 1.00 . A A . 5 CYS H 1 1 8 2958 1 1 5 CYS HA H -0.823 7.745 -2.645 1.00 . A A . 5 CYS HA 1 1 8 2959 1 1 5 CYS HB2 H -3.087 8.670 -3.500 1.00 . A A . 5 CYS HB2 1 1 8 2960 1 1 5 CYS HB3 H -2.960 7.305 -4.630 1.00 . A A . 5 CYS HB3 1 1 8 2961 1 1 5 CYS N N -0.693 8.742 -4.449 1.00 . A A . 5 CYS N 1 1 8 2962 1 1 5 CYS O O -0.681 6.294 -5.523 1.00 . A A . 5 CYS O 1 1 8 2963 1 1 5 CYS SG S -3.423 6.543 -2.443 1.00 . A A . 5 CYS SG 1 1 8 2964 1 1 6 PHE C C -1.150 3.143 -3.590 1.00 . A A . 6 PHE C 1 1 8 2965 1 1 6 PHE CA C -0.129 4.145 -4.064 1.00 . A A . 6 PHE CA 1 1 8 2966 1 1 6 PHE CB C 1.287 3.694 -3.730 1.00 . A A . 6 PHE CB 1 1 8 2967 1 1 6 PHE CD1 C 1.959 2.832 -5.940 1.00 . A A . 6 PHE CD1 1 1 8 2968 1 1 6 PHE CD2 C 1.772 1.275 -4.155 1.00 . A A . 6 PHE CD2 1 1 8 2969 1 1 6 PHE CE1 C 2.295 1.834 -6.798 1.00 . A A . 6 PHE CE1 1 1 8 2970 1 1 6 PHE CE2 C 2.118 0.253 -5.013 1.00 . A A . 6 PHE CE2 1 1 8 2971 1 1 6 PHE CG C 1.694 2.575 -4.615 1.00 . A A . 6 PHE CG 1 1 8 2972 1 1 6 PHE CZ C 2.379 0.532 -6.342 1.00 . A A . 6 PHE CZ 1 1 8 2973 1 1 6 PHE H H -0.452 5.522 -2.527 1.00 . A A . 6 PHE H 1 1 8 2974 1 1 6 PHE HA H -0.230 4.243 -5.135 1.00 . A A . 6 PHE HA 1 1 8 2975 1 1 6 PHE HB2 H 1.973 4.517 -3.871 1.00 . A A . 6 PHE HB2 1 1 8 2976 1 1 6 PHE HB3 H 1.329 3.350 -2.707 1.00 . A A . 6 PHE HB3 1 1 8 2977 1 1 6 PHE HD1 H 1.900 3.849 -6.298 1.00 . A A . 6 PHE HD1 1 1 8 2978 1 1 6 PHE HD2 H 1.568 1.062 -3.116 1.00 . A A . 6 PHE HD2 1 1 8 2979 1 1 6 PHE HE1 H 2.484 2.099 -7.826 1.00 . A A . 6 PHE HE1 1 1 8 2980 1 1 6 PHE HE2 H 2.177 -0.758 -4.644 1.00 . A A . 6 PHE HE2 1 1 8 2981 1 1 6 PHE HZ H 2.644 -0.265 -7.021 1.00 . A A . 6 PHE HZ 1 1 8 2982 1 1 6 PHE N N -0.442 5.405 -3.504 1.00 . A A . 6 PHE N 1 1 8 2983 1 1 6 PHE O O -1.396 3.028 -2.396 1.00 . A A . 6 PHE O 1 1 8 2984 1 1 7 CYS C C -2.387 0.106 -4.501 1.00 . A A . 7 CYS C 1 1 8 2985 1 1 7 CYS CA C -2.790 1.516 -4.162 1.00 . A A . 7 CYS CA 1 1 8 2986 1 1 7 CYS CB C -4.074 1.856 -4.876 1.00 . A A . 7 CYS CB 1 1 8 2987 1 1 7 CYS H H -1.519 2.564 -5.447 1.00 . A A . 7 CYS H 1 1 8 2988 1 1 7 CYS HA H -2.967 1.577 -3.101 1.00 . A A . 7 CYS HA 1 1 8 2989 1 1 7 CYS HB2 H -3.893 1.808 -5.938 1.00 . A A . 7 CYS HB2 1 1 8 2990 1 1 7 CYS HB3 H -4.817 1.117 -4.616 1.00 . A A . 7 CYS HB3 1 1 8 2991 1 1 7 CYS N N -1.760 2.456 -4.503 1.00 . A A . 7 CYS N 1 1 8 2992 1 1 7 CYS O O -1.601 -0.120 -5.424 1.00 . A A . 7 CYS O 1 1 8 2993 1 1 7 CYS SG S -4.763 3.500 -4.501 1.00 . A A . 7 CYS SG 1 1 8 2994 1 1 8 VAL C C -3.998 -2.950 -3.628 1.00 . A A . 8 VAL C 1 1 8 2995 1 1 8 VAL CA C -2.682 -2.247 -3.941 1.00 . A A . 8 VAL CA 1 1 8 2996 1 1 8 VAL CB C -1.592 -2.836 -2.972 1.00 . A A . 8 VAL CB 1 1 8 2997 1 1 8 VAL CG1 C -1.234 -4.278 -3.326 1.00 . A A . 8 VAL CG1 1 1 8 2998 1 1 8 VAL CG2 C -0.338 -1.974 -2.892 1.00 . A A . 8 VAL CG2 1 1 8 2999 1 1 8 VAL H H -3.490 -0.556 -2.993 1.00 . A A . 8 VAL H 1 1 8 3000 1 1 8 VAL HA H -2.395 -2.415 -4.968 1.00 . A A . 8 VAL HA 1 1 8 3001 1 1 8 VAL HB H -2.059 -2.869 -2.001 1.00 . A A . 8 VAL HB 1 1 8 3002 1 1 8 VAL HG11 H -0.502 -4.651 -2.626 1.00 . A A . 8 VAL HG11 1 1 8 3003 1 1 8 VAL HG12 H -0.824 -4.313 -4.324 1.00 . A A . 8 VAL HG12 1 1 8 3004 1 1 8 VAL HG13 H -2.122 -4.891 -3.280 1.00 . A A . 8 VAL HG13 1 1 8 3005 1 1 8 VAL HG21 H 0.369 -2.429 -2.216 1.00 . A A . 8 VAL HG21 1 1 8 3006 1 1 8 VAL HG22 H -0.599 -0.990 -2.533 1.00 . A A . 8 VAL HG22 1 1 8 3007 1 1 8 VAL HG23 H 0.104 -1.891 -3.874 1.00 . A A . 8 VAL HG23 1 1 8 3008 1 1 8 VAL N N -2.904 -0.828 -3.737 1.00 . A A . 8 VAL N 1 1 8 3009 1 1 8 VAL O O -4.749 -2.509 -2.755 1.00 . A A . 8 VAL O 1 1 8 3010 1 1 9 GLU C C -5.089 -5.855 -3.089 1.00 . A A . 9 GLU C 1 1 8 3011 1 1 9 GLU CA C -5.472 -4.761 -4.049 1.00 . A A . 9 GLU CA 1 1 8 3012 1 1 9 GLU CB C -6.078 -5.325 -5.335 1.00 . A A . 9 GLU CB 1 1 8 3013 1 1 9 GLU CD C -8.013 -6.475 -6.445 1.00 . A A . 9 GLU CD 1 1 8 3014 1 1 9 GLU CG C -7.413 -6.022 -5.142 1.00 . A A . 9 GLU CG 1 1 8 3015 1 1 9 GLU H H -3.662 -4.249 -5.029 1.00 . A A . 9 GLU H 1 1 8 3016 1 1 9 GLU HA H -6.198 -4.143 -3.545 1.00 . A A . 9 GLU HA 1 1 8 3017 1 1 9 GLU HB2 H -6.235 -4.513 -6.028 1.00 . A A . 9 GLU HB2 1 1 8 3018 1 1 9 GLU HB3 H -5.386 -6.027 -5.772 1.00 . A A . 9 GLU HB3 1 1 8 3019 1 1 9 GLU HG2 H -7.268 -6.886 -4.511 1.00 . A A . 9 GLU HG2 1 1 8 3020 1 1 9 GLU HG3 H -8.098 -5.338 -4.663 1.00 . A A . 9 GLU HG3 1 1 8 3021 1 1 9 GLU N N -4.291 -3.992 -4.324 1.00 . A A . 9 GLU N 1 1 8 3022 1 1 9 GLU O O -4.379 -6.808 -3.462 1.00 . A A . 9 GLU O 1 1 8 3023 1 1 9 GLU OE1 O -8.037 -7.698 -6.717 1.00 . A A . 9 GLU OE1 1 1 8 3024 1 1 9 GLU OE2 O -8.470 -5.615 -7.232 1.00 . A A . 9 GLU OE2 1 1 8 3025 1 1 10 ASP C C -5.892 -7.914 -1.018 1.00 . A A . 10 ASP C 1 1 8 3026 1 1 10 ASP CA C -5.153 -6.646 -0.806 1.00 . A A . 10 ASP CA 1 1 8 3027 1 1 10 ASP CB C -5.414 -6.117 0.598 1.00 . A A . 10 ASP CB 1 1 8 3028 1 1 10 ASP CG C -4.952 -7.111 1.635 1.00 . A A . 10 ASP CG 1 1 8 3029 1 1 10 ASP H H -6.072 -4.933 -1.619 1.00 . A A . 10 ASP H 1 1 8 3030 1 1 10 ASP HA H -4.104 -6.878 -0.899 1.00 . A A . 10 ASP HA 1 1 8 3031 1 1 10 ASP HB2 H -4.883 -5.190 0.744 1.00 . A A . 10 ASP HB2 1 1 8 3032 1 1 10 ASP HB3 H -6.474 -5.954 0.729 1.00 . A A . 10 ASP HB3 1 1 8 3033 1 1 10 ASP N N -5.497 -5.697 -1.842 1.00 . A A . 10 ASP N 1 1 8 3034 1 1 10 ASP O O -7.117 -7.948 -0.953 1.00 . A A . 10 ASP O 1 1 8 3035 1 1 10 ASP OD1 O -3.740 -7.187 1.892 1.00 . A A . 10 ASP OD1 1 1 8 3036 1 1 10 ASP OD2 O -5.779 -7.847 2.188 1.00 . A A . 10 ASP OD2 1 1 8 3037 1 1 11 GLU C C -6.295 -10.960 -0.400 1.00 . A A . 11 GLU C 1 1 8 3038 1 1 11 GLU CA C -5.676 -10.247 -1.595 1.00 . A A . 11 GLU CA 1 1 8 3039 1 1 11 GLU CB C -4.581 -11.098 -2.223 1.00 . A A . 11 GLU CB 1 1 8 3040 1 1 11 GLU CD C -2.976 -11.340 -4.147 1.00 . A A . 11 GLU CD 1 1 8 3041 1 1 11 GLU CG C -3.987 -10.470 -3.467 1.00 . A A . 11 GLU CG 1 1 8 3042 1 1 11 GLU H H -4.177 -8.810 -1.201 1.00 . A A . 11 GLU H 1 1 8 3043 1 1 11 GLU HA H -6.446 -10.098 -2.337 1.00 . A A . 11 GLU HA 1 1 8 3044 1 1 11 GLU HB2 H -3.791 -11.236 -1.499 1.00 . A A . 11 GLU HB2 1 1 8 3045 1 1 11 GLU HB3 H -4.990 -12.061 -2.486 1.00 . A A . 11 GLU HB3 1 1 8 3046 1 1 11 GLU HG2 H -4.787 -10.275 -4.165 1.00 . A A . 11 GLU HG2 1 1 8 3047 1 1 11 GLU HG3 H -3.519 -9.535 -3.195 1.00 . A A . 11 GLU HG3 1 1 8 3048 1 1 11 GLU N N -5.147 -8.943 -1.254 1.00 . A A . 11 GLU N 1 1 8 3049 1 1 11 GLU O O -7.097 -11.878 -0.572 1.00 . A A . 11 GLU O 1 1 8 3050 1 1 11 GLU OE1 O -3.372 -12.142 -5.026 1.00 . A A . 11 GLU OE1 1 1 8 3051 1 1 11 GLU OE2 O -1.770 -11.227 -3.847 1.00 . A A . 11 GLU OE2 1 1 8 3052 1 1 12 THR C C -7.862 -10.610 2.297 1.00 . A A . 12 THR C 1 1 8 3053 1 1 12 THR CA C -6.467 -11.162 1.977 1.00 . A A . 12 THR CA 1 1 8 3054 1 1 12 THR CB C -5.507 -10.909 3.159 1.00 . A A . 12 THR CB 1 1 8 3055 1 1 12 THR CG2 C -5.903 -11.735 4.378 1.00 . A A . 12 THR CG2 1 1 8 3056 1 1 12 THR H H -5.359 -9.755 0.889 1.00 . A A . 12 THR H 1 1 8 3057 1 1 12 THR HA H -6.532 -12.225 1.798 1.00 . A A . 12 THR HA 1 1 8 3058 1 1 12 THR HB H -5.539 -9.858 3.407 1.00 . A A . 12 THR HB 1 1 8 3059 1 1 12 THR HG1 H -3.959 -12.123 3.148 1.00 . A A . 12 THR HG1 1 1 8 3060 1 1 12 THR HG21 H -5.217 -11.534 5.188 1.00 . A A . 12 THR HG21 1 1 8 3061 1 1 12 THR HG22 H -5.866 -12.785 4.129 1.00 . A A . 12 THR HG22 1 1 8 3062 1 1 12 THR HG23 H -6.906 -11.471 4.682 1.00 . A A . 12 THR HG23 1 1 8 3063 1 1 12 THR N N -5.958 -10.529 0.789 1.00 . A A . 12 THR N 1 1 8 3064 1 1 12 THR O O -8.786 -11.351 2.613 1.00 . A A . 12 THR O 1 1 8 3065 1 1 12 THR OG1 O -4.164 -11.266 2.762 1.00 . A A . 12 THR OG1 1 1 8 3066 1 1 13 SER C C -10.137 -8.644 1.230 1.00 . A A . 13 SER C 1 1 8 3067 1 1 13 SER CA C -9.233 -8.641 2.463 1.00 . A A . 13 SER CA 1 1 8 3068 1 1 13 SER CB C -8.915 -7.214 2.861 1.00 . A A . 13 SER CB 1 1 8 3069 1 1 13 SER H H -7.203 -8.781 1.928 1.00 . A A . 13 SER H 1 1 8 3070 1 1 13 SER HA H -9.730 -9.124 3.287 1.00 . A A . 13 SER HA 1 1 8 3071 1 1 13 SER HB2 H -8.657 -6.666 1.970 1.00 . A A . 13 SER HB2 1 1 8 3072 1 1 13 SER HB3 H -9.775 -6.764 3.332 1.00 . A A . 13 SER HB3 1 1 8 3073 1 1 13 SER HG H -7.034 -7.481 3.272 1.00 . A A . 13 SER HG 1 1 8 3074 1 1 13 SER N N -7.995 -9.314 2.180 1.00 . A A . 13 SER N 1 1 8 3075 1 1 13 SER O O -11.370 -8.614 1.339 1.00 . A A . 13 SER O 1 1 8 3076 1 1 13 SER OG O -7.816 -7.186 3.771 1.00 . A A . 13 SER OG 1 1 8 3077 1 1 14 GLY C C -10.611 -7.178 -1.457 1.00 . A A . 14 GLY C 1 1 8 3078 1 1 14 GLY CA C -10.236 -8.606 -1.180 1.00 . A A . 14 GLY CA 1 1 8 3079 1 1 14 GLY H H -8.537 -8.772 0.035 1.00 . A A . 14 GLY H 1 1 8 3080 1 1 14 GLY HA2 H -9.614 -8.980 -1.981 1.00 . A A . 14 GLY HA2 1 1 8 3081 1 1 14 GLY HA3 H -11.135 -9.197 -1.111 1.00 . A A . 14 GLY HA3 1 1 8 3082 1 1 14 GLY N N -9.514 -8.688 0.066 1.00 . A A . 14 GLY N 1 1 8 3083 1 1 14 GLY O O -11.601 -6.895 -2.120 1.00 . A A . 14 GLY O 1 1 8 3084 1 1 15 ALA C C -8.906 -4.077 -1.464 1.00 . A A . 15 ALA C 1 1 8 3085 1 1 15 ALA CA C -10.106 -4.879 -1.036 1.00 . A A . 15 ALA CA 1 1 8 3086 1 1 15 ALA CB C -10.604 -4.382 0.315 1.00 . A A . 15 ALA CB 1 1 8 3087 1 1 15 ALA H H -8.955 -6.575 -0.562 1.00 . A A . 15 ALA H 1 1 8 3088 1 1 15 ALA HA H -10.906 -4.744 -1.748 1.00 . A A . 15 ALA HA 1 1 8 3089 1 1 15 ALA HB1 H -11.458 -4.968 0.622 1.00 . A A . 15 ALA HB1 1 1 8 3090 1 1 15 ALA HB2 H -10.889 -3.343 0.237 1.00 . A A . 15 ALA HB2 1 1 8 3091 1 1 15 ALA HB3 H -9.817 -4.484 1.047 1.00 . A A . 15 ALA HB3 1 1 8 3092 1 1 15 ALA N N -9.800 -6.277 -0.960 1.00 . A A . 15 ALA N 1 1 8 3093 1 1 15 ALA O O -7.791 -4.291 -0.971 1.00 . A A . 15 ALA O 1 1 8 3094 1 1 16 LYS C C -7.891 -1.287 -1.698 1.00 . A A . 16 LYS C 1 1 8 3095 1 1 16 LYS CA C -8.133 -2.263 -2.830 1.00 . A A . 16 LYS CA 1 1 8 3096 1 1 16 LYS CB C -8.591 -1.515 -4.079 1.00 . A A . 16 LYS CB 1 1 8 3097 1 1 16 LYS CD C -8.124 0.302 -5.753 1.00 . A A . 16 LYS CD 1 1 8 3098 1 1 16 LYS CE C -7.088 1.288 -6.261 1.00 . A A . 16 LYS CE 1 1 8 3099 1 1 16 LYS CG C -7.552 -0.558 -4.630 1.00 . A A . 16 LYS CG 1 1 8 3100 1 1 16 LYS H H -9.993 -3.216 -2.859 1.00 . A A . 16 LYS H 1 1 8 3101 1 1 16 LYS HA H -7.203 -2.761 -3.029 1.00 . A A . 16 LYS HA 1 1 8 3102 1 1 16 LYS HB2 H -8.844 -2.228 -4.849 1.00 . A A . 16 LYS HB2 1 1 8 3103 1 1 16 LYS HB3 H -9.470 -0.942 -3.824 1.00 . A A . 16 LYS HB3 1 1 8 3104 1 1 16 LYS HD2 H -8.429 -0.339 -6.566 1.00 . A A . 16 LYS HD2 1 1 8 3105 1 1 16 LYS HD3 H -8.977 0.847 -5.379 1.00 . A A . 16 LYS HD3 1 1 8 3106 1 1 16 LYS HE2 H -6.776 1.916 -5.438 1.00 . A A . 16 LYS HE2 1 1 8 3107 1 1 16 LYS HE3 H -6.237 0.729 -6.618 1.00 . A A . 16 LYS HE3 1 1 8 3108 1 1 16 LYS HG2 H -7.189 0.050 -3.815 1.00 . A A . 16 LYS HG2 1 1 8 3109 1 1 16 LYS HG3 H -6.729 -1.143 -5.014 1.00 . A A . 16 LYS HG3 1 1 8 3110 1 1 16 LYS HZ1 H -6.838 2.801 -7.661 1.00 . A A . 16 LYS HZ1 1 1 8 3111 1 1 16 LYS HZ2 H -8.388 2.728 -7.016 1.00 . A A . 16 LYS HZ2 1 1 8 3112 1 1 16 LYS HZ3 H -7.890 1.586 -8.158 1.00 . A A . 16 LYS HZ3 1 1 8 3113 1 1 16 LYS N N -9.122 -3.205 -2.410 1.00 . A A . 16 LYS N 1 1 8 3114 1 1 16 LYS NZ N -7.587 2.152 -7.341 1.00 . A A . 16 LYS NZ 1 1 8 3115 1 1 16 LYS O O -8.819 -0.620 -1.222 1.00 . A A . 16 LYS O 1 1 8 3116 1 1 17 THR C C -5.231 0.544 -0.745 1.00 . A A . 17 THR C 1 1 8 3117 1 1 17 THR CA C -6.292 -0.389 -0.196 1.00 . A A . 17 THR CA 1 1 8 3118 1 1 17 THR CB C -5.767 -1.223 1.017 1.00 . A A . 17 THR CB 1 1 8 3119 1 1 17 THR CG2 C -4.535 -2.035 0.648 1.00 . A A . 17 THR CG2 1 1 8 3120 1 1 17 THR H H -5.982 -1.781 -1.683 1.00 . A A . 17 THR H 1 1 8 3121 1 1 17 THR HA H -7.152 0.189 0.107 1.00 . A A . 17 THR HA 1 1 8 3122 1 1 17 THR HB H -6.555 -1.903 1.307 1.00 . A A . 17 THR HB 1 1 8 3123 1 1 17 THR HG1 H -6.055 -0.665 2.856 1.00 . A A . 17 THR HG1 1 1 8 3124 1 1 17 THR HG21 H -4.776 -2.708 -0.162 1.00 . A A . 17 THR HG21 1 1 8 3125 1 1 17 THR HG22 H -4.217 -2.606 1.506 1.00 . A A . 17 THR HG22 1 1 8 3126 1 1 17 THR HG23 H -3.742 -1.369 0.341 1.00 . A A . 17 THR HG23 1 1 8 3127 1 1 17 THR N N -6.685 -1.240 -1.257 1.00 . A A . 17 THR N 1 1 8 3128 1 1 17 THR O O -4.532 0.194 -1.712 1.00 . A A . 17 THR O 1 1 8 3129 1 1 17 THR OG1 O -5.470 -0.380 2.141 1.00 . A A . 17 THR OG1 1 1 8 3130 1 1 18 CYS C C -3.399 3.269 0.385 1.00 . A A . 18 CYS C 1 1 8 3131 1 1 18 CYS CA C -4.201 2.659 -0.718 1.00 . A A . 18 CYS CA 1 1 8 3132 1 1 18 CYS CB C -4.921 3.747 -1.490 1.00 . A A . 18 CYS CB 1 1 8 3133 1 1 18 CYS H H -5.686 1.942 0.568 1.00 . A A . 18 CYS H 1 1 8 3134 1 1 18 CYS HA H -3.532 2.152 -1.392 1.00 . A A . 18 CYS HA 1 1 8 3135 1 1 18 CYS HB2 H -5.531 4.306 -0.801 1.00 . A A . 18 CYS HB2 1 1 8 3136 1 1 18 CYS HB3 H -4.179 4.425 -1.886 1.00 . A A . 18 CYS HB3 1 1 8 3137 1 1 18 CYS N N -5.132 1.708 -0.208 1.00 . A A . 18 CYS N 1 1 8 3138 1 1 18 CYS O O -3.742 3.152 1.554 1.00 . A A . 18 CYS O 1 1 8 3139 1 1 18 CYS SG S -5.946 3.161 -2.888 1.00 . A A . 18 CYS SG 1 1 8 3140 1 1 19 VAL C C -1.355 6.033 0.392 1.00 . A A . 19 VAL C 1 1 8 3141 1 1 19 VAL CA C -1.472 4.604 0.915 1.00 . A A . 19 VAL CA 1 1 8 3142 1 1 19 VAL CB C -0.049 3.967 0.995 1.00 . A A . 19 VAL CB 1 1 8 3143 1 1 19 VAL CG1 C 0.833 4.724 1.984 1.00 . A A . 19 VAL CG1 1 1 8 3144 1 1 19 VAL CG2 C -0.126 2.492 1.378 1.00 . A A . 19 VAL CG2 1 1 8 3145 1 1 19 VAL H H -2.119 3.871 -0.948 1.00 . A A . 19 VAL H 1 1 8 3146 1 1 19 VAL HA H -1.932 4.603 1.891 1.00 . A A . 19 VAL HA 1 1 8 3147 1 1 19 VAL HB H 0.405 4.044 0.018 1.00 . A A . 19 VAL HB 1 1 8 3148 1 1 19 VAL HG11 H 0.384 4.688 2.966 1.00 . A A . 19 VAL HG11 1 1 8 3149 1 1 19 VAL HG12 H 0.925 5.752 1.668 1.00 . A A . 19 VAL HG12 1 1 8 3150 1 1 19 VAL HG13 H 1.812 4.267 2.018 1.00 . A A . 19 VAL HG13 1 1 8 3151 1 1 19 VAL HG21 H 0.870 2.077 1.424 1.00 . A A . 19 VAL HG21 1 1 8 3152 1 1 19 VAL HG22 H -0.706 1.959 0.639 1.00 . A A . 19 VAL HG22 1 1 8 3153 1 1 19 VAL HG23 H -0.601 2.395 2.344 1.00 . A A . 19 VAL HG23 1 1 8 3154 1 1 19 VAL N N -2.334 3.891 0.012 1.00 . A A . 19 VAL N 1 1 8 3155 1 1 19 VAL O O -0.769 6.248 -0.682 1.00 . A A . 19 VAL O 1 1 8 3156 1 1 20 PRO C C -4.031 6.184 2.145 1.00 . A A . 20 PRO C 1 1 8 3157 1 1 20 PRO CA C -2.673 6.834 2.348 1.00 . A A . 20 PRO CA 1 1 8 3158 1 1 20 PRO CB C -2.873 8.248 2.854 1.00 . A A . 20 PRO CB 1 1 8 3159 1 1 20 PRO CD C -1.923 8.443 0.687 1.00 . A A . 20 PRO CD 1 1 8 3160 1 1 20 PRO CG C -2.908 9.075 1.627 1.00 . A A . 20 PRO CG 1 1 8 3161 1 1 20 PRO HA H -2.101 6.272 3.072 1.00 . A A . 20 PRO HA 1 1 8 3162 1 1 20 PRO HB2 H -3.803 8.299 3.403 1.00 . A A . 20 PRO HB2 1 1 8 3163 1 1 20 PRO HB3 H -2.046 8.509 3.496 1.00 . A A . 20 PRO HB3 1 1 8 3164 1 1 20 PRO HD2 H -2.248 8.551 -0.337 1.00 . A A . 20 PRO HD2 1 1 8 3165 1 1 20 PRO HD3 H -0.940 8.872 0.822 1.00 . A A . 20 PRO HD3 1 1 8 3166 1 1 20 PRO HG2 H -3.905 9.052 1.213 1.00 . A A . 20 PRO HG2 1 1 8 3167 1 1 20 PRO HG3 H -2.630 10.092 1.849 1.00 . A A . 20 PRO HG3 1 1 8 3168 1 1 20 PRO N N -1.933 7.029 1.088 1.00 . A A . 20 PRO N 1 1 8 3169 1 1 20 PRO O O -4.595 6.197 1.030 1.00 . A A . 20 PRO O 1 1 8 3170 1 1 21 ASP C C -6.938 5.799 2.699 1.00 . A A . 21 ASP C 1 1 8 3171 1 1 21 ASP CA C -5.819 4.919 3.206 1.00 . A A . 21 ASP CA 1 1 8 3172 1 1 21 ASP CB C -6.168 4.383 4.591 1.00 . A A . 21 ASP CB 1 1 8 3173 1 1 21 ASP CG C -7.490 3.649 4.606 1.00 . A A . 21 ASP CG 1 1 8 3174 1 1 21 ASP H H -4.055 5.716 4.065 1.00 . A A . 21 ASP H 1 1 8 3175 1 1 21 ASP HA H -5.705 4.083 2.533 1.00 . A A . 21 ASP HA 1 1 8 3176 1 1 21 ASP HB2 H -5.394 3.706 4.921 1.00 . A A . 21 ASP HB2 1 1 8 3177 1 1 21 ASP HB3 H -6.231 5.216 5.274 1.00 . A A . 21 ASP HB3 1 1 8 3178 1 1 21 ASP N N -4.550 5.634 3.221 1.00 . A A . 21 ASP N 1 1 8 3179 1 1 21 ASP O O -7.116 6.924 3.181 1.00 . A A . 21 ASP O 1 1 8 3180 1 1 21 ASP OD1 O -8.533 4.273 4.878 1.00 . A A . 21 ASP OD1 1 1 8 3181 1 1 21 ASP OD2 O -7.517 2.438 4.319 1.00 . A A . 21 ASP OD2 1 1 8 3182 1 1 22 ASN C C -8.445 7.338 0.566 1.00 . A A . 22 ASN C 1 1 8 3183 1 1 22 ASN CA C -8.778 5.951 1.078 1.00 . A A . 22 ASN CA 1 1 8 3184 1 1 22 ASN CB C -10.025 5.942 1.965 1.00 . A A . 22 ASN CB 1 1 8 3185 1 1 22 ASN CG C -10.715 4.585 1.998 1.00 . A A . 22 ASN CG 1 1 8 3186 1 1 22 ASN H H -7.443 4.389 1.392 1.00 . A A . 22 ASN H 1 1 8 3187 1 1 22 ASN HA H -8.995 5.353 0.205 1.00 . A A . 22 ASN HA 1 1 8 3188 1 1 22 ASN HB2 H -9.759 6.225 2.972 1.00 . A A . 22 ASN HB2 1 1 8 3189 1 1 22 ASN HB3 H -10.708 6.664 1.550 1.00 . A A . 22 ASN HB3 1 1 8 3190 1 1 22 ASN HD21 H -9.666 4.016 3.585 1.00 . A A . 22 ASN HD21 1 1 8 3191 1 1 22 ASN HD22 H -10.809 2.875 2.962 1.00 . A A . 22 ASN HD22 1 1 8 3192 1 1 22 ASN N N -7.658 5.288 1.711 1.00 . A A . 22 ASN N 1 1 8 3193 1 1 22 ASN ND2 N -10.361 3.749 2.932 1.00 . A A . 22 ASN ND2 1 1 8 3194 1 1 22 ASN O O -9.242 8.265 0.688 1.00 . A A . 22 ASN O 1 1 8 3195 1 1 22 ASN OD1 O -11.574 4.297 1.167 1.00 . A A . 22 ASN OD1 1 1 8 3196 1 1 23 CYS C C -7.771 9.171 -1.712 1.00 . A A . 23 CYS C 1 1 8 3197 1 1 23 CYS CA C -6.802 8.698 -0.637 1.00 . A A . 23 CYS CA 1 1 8 3198 1 1 23 CYS CB C -5.423 8.482 -1.244 1.00 . A A . 23 CYS CB 1 1 8 3199 1 1 23 CYS H H -6.619 6.713 -0.001 1.00 . A A . 23 CYS H 1 1 8 3200 1 1 23 CYS HA H -6.733 9.454 0.121 1.00 . A A . 23 CYS HA 1 1 8 3201 1 1 23 CYS HB2 H -5.127 9.368 -1.787 1.00 . A A . 23 CYS HB2 1 1 8 3202 1 1 23 CYS HB3 H -4.710 8.284 -0.457 1.00 . A A . 23 CYS HB3 1 1 8 3203 1 1 23 CYS N N -7.255 7.462 -0.016 1.00 . A A . 23 CYS N 1 1 8 3204 1 1 23 CYS O O -8.128 10.349 -1.788 1.00 . A A . 23 CYS O 1 1 8 3205 1 1 23 CYS SG S -5.365 7.071 -2.402 1.00 . A A . 23 CYS SG 1 1 8 3206 1 1 24 ASP C C -10.532 8.477 -3.167 1.00 . A A . 24 ASP C 1 1 8 3207 1 1 24 ASP CA C -9.090 8.551 -3.593 1.00 . A A . 24 ASP CA 1 1 8 3208 1 1 24 ASP CB C -8.793 7.644 -4.794 1.00 . A A . 24 ASP CB 1 1 8 3209 1 1 24 ASP CG C -9.692 7.898 -5.980 1.00 . A A . 24 ASP CG 1 1 8 3210 1 1 24 ASP H H -7.984 7.335 -2.255 1.00 . A A . 24 ASP H 1 1 8 3211 1 1 24 ASP HA H -8.885 9.574 -3.874 1.00 . A A . 24 ASP HA 1 1 8 3212 1 1 24 ASP HB2 H -7.771 7.795 -5.107 1.00 . A A . 24 ASP HB2 1 1 8 3213 1 1 24 ASP HB3 H -8.916 6.618 -4.485 1.00 . A A . 24 ASP HB3 1 1 8 3214 1 1 24 ASP N N -8.230 8.251 -2.487 1.00 . A A . 24 ASP N 1 1 8 3215 1 1 24 ASP O O -11.218 7.468 -3.335 1.00 . A A . 24 ASP O 1 1 8 3216 1 1 24 ASP OD1 O -10.491 7.014 -6.334 1.00 . A A . 24 ASP OD1 1 1 8 3217 1 1 24 ASP OD2 O -9.611 8.987 -6.589 1.00 . A A . 24 ASP OD2 1 1 8 3218 1 1 25 ALA C C -12.690 11.131 -2.295 1.00 . A A . 25 ALA C 1 1 8 3219 1 1 25 ALA CA C -12.283 9.690 -2.067 1.00 . A A . 25 ALA CA 1 1 8 3220 1 1 25 ALA CB C -12.431 9.307 -0.595 1.00 . A A . 25 ALA CB 1 1 8 3221 1 1 25 ALA H H -10.244 10.172 -2.281 1.00 . A A . 25 ALA H 1 1 8 3222 1 1 25 ALA HA H -12.915 9.046 -2.659 1.00 . A A . 25 ALA HA 1 1 8 3223 1 1 25 ALA HB1 H -12.138 8.276 -0.459 1.00 . A A . 25 ALA HB1 1 1 8 3224 1 1 25 ALA HB2 H -13.459 9.434 -0.291 1.00 . A A . 25 ALA HB2 1 1 8 3225 1 1 25 ALA HB3 H -11.798 9.943 0.006 1.00 . A A . 25 ALA HB3 1 1 8 3226 1 1 25 ALA N N -10.931 9.510 -2.508 1.00 . A A . 25 ALA N 1 1 8 3227 1 1 25 ALA O O -12.383 12.011 -1.490 1.00 . A A . 25 ALA O 1 1 8 3228 1 1 26 SER C C -15.094 12.578 -4.438 1.00 . A A . 26 SER C 1 1 8 3229 1 1 26 SER CA C -13.739 12.698 -3.765 1.00 . A A . 26 SER CA 1 1 8 3230 1 1 26 SER CB C -12.710 13.375 -4.694 1.00 . A A . 26 SER CB 1 1 8 3231 1 1 26 SER H H -13.458 10.656 -4.057 1.00 . A A . 26 SER H 1 1 8 3232 1 1 26 SER HA H -13.839 13.273 -2.858 1.00 . A A . 26 SER HA 1 1 8 3233 1 1 26 SER HB2 H -11.739 13.347 -4.225 1.00 . A A . 26 SER HB2 1 1 8 3234 1 1 26 SER HB3 H -12.670 12.838 -5.630 1.00 . A A . 26 SER HB3 1 1 8 3235 1 1 26 SER HG H -12.267 15.142 -5.365 1.00 . A A . 26 SER HG 1 1 8 3236 1 1 26 SER N N -13.294 11.380 -3.416 1.00 . A A . 26 SER N 1 1 8 3237 1 1 26 SER O O -15.488 11.481 -4.849 1.00 . A A . 26 SER O 1 1 8 3238 1 1 26 SER OG O -13.045 14.734 -4.959 1.00 . A A . 26 SER OG 1 1 8 3239 1 1 27 ARG C C -17.081 13.762 -6.630 1.00 . A A . 27 ARG C 1 1 8 3240 1 1 27 ARG CA C -17.135 13.682 -5.118 1.00 . A A . 27 ARG CA 1 1 8 3241 1 1 27 ARG CB C -17.940 14.845 -4.559 1.00 . A A . 27 ARG CB 1 1 8 3242 1 1 27 ARG CD C -18.844 16.023 -2.536 1.00 . A A . 27 ARG CD 1 1 8 3243 1 1 27 ARG CG C -18.068 14.826 -3.052 1.00 . A A . 27 ARG CG 1 1 8 3244 1 1 27 ARG CZ C -18.289 18.427 -2.151 1.00 . A A . 27 ARG CZ 1 1 8 3245 1 1 27 ARG H H -15.397 14.525 -4.259 1.00 . A A . 27 ARG H 1 1 8 3246 1 1 27 ARG HA H -17.616 12.760 -4.837 1.00 . A A . 27 ARG HA 1 1 8 3247 1 1 27 ARG HB2 H -17.436 15.758 -4.836 1.00 . A A . 27 ARG HB2 1 1 8 3248 1 1 27 ARG HB3 H -18.929 14.837 -4.991 1.00 . A A . 27 ARG HB3 1 1 8 3249 1 1 27 ARG HD2 H -19.846 15.996 -2.937 1.00 . A A . 27 ARG HD2 1 1 8 3250 1 1 27 ARG HD3 H -18.882 15.946 -1.459 1.00 . A A . 27 ARG HD3 1 1 8 3251 1 1 27 ARG HE H -17.732 17.308 -3.750 1.00 . A A . 27 ARG HE 1 1 8 3252 1 1 27 ARG HG2 H -18.576 13.921 -2.757 1.00 . A A . 27 ARG HG2 1 1 8 3253 1 1 27 ARG HG3 H -17.078 14.835 -2.624 1.00 . A A . 27 ARG HG3 1 1 8 3254 1 1 27 ARG HH11 H -19.418 17.614 -0.647 1.00 . A A . 27 ARG HH11 1 1 8 3255 1 1 27 ARG HH12 H -19.004 19.242 -0.416 1.00 . A A . 27 ARG HH12 1 1 8 3256 1 1 27 ARG HH21 H -17.201 19.590 -3.434 1.00 . A A . 27 ARG HH21 1 1 8 3257 1 1 27 ARG HH22 H -17.739 20.392 -2.035 1.00 . A A . 27 ARG HH22 1 1 8 3258 1 1 27 ARG N N -15.799 13.678 -4.551 1.00 . A A . 27 ARG N 1 1 8 3259 1 1 27 ARG NE N -18.219 17.307 -2.894 1.00 . A A . 27 ARG NE 1 1 8 3260 1 1 27 ARG NH1 N -18.948 18.429 -1.000 1.00 . A A . 27 ARG NH1 1 1 8 3261 1 1 27 ARG NH2 N -17.704 19.541 -2.569 1.00 . A A . 27 ARG NH2 1 1 8 3262 1 1 27 ARG O O -18.065 13.473 -7.313 1.00 . A A . 27 ARG O 1 1 8 3263 1 1 28 GLY C C -14.322 14.306 -8.904 1.00 . A A . 28 GLY C 1 1 8 3264 1 1 28 GLY CA C -15.776 14.249 -8.561 1.00 . A A . 28 GLY CA 1 1 8 3265 1 1 28 GLY H H -15.203 14.399 -6.561 1.00 . A A . 28 GLY H 1 1 8 3266 1 1 28 GLY HA2 H -16.226 13.389 -9.032 1.00 . A A . 28 GLY HA2 1 1 8 3267 1 1 28 GLY HA3 H -16.256 15.147 -8.922 1.00 . A A . 28 GLY HA3 1 1 8 3268 1 1 28 GLY N N -15.954 14.155 -7.145 1.00 . A A . 28 GLY N 1 1 8 3269 1 1 28 GLY O O -13.507 14.750 -8.084 1.00 . A A . 28 GLY O 1 1 8 3270 1 1 29 THR C C -12.312 15.254 -11.067 1.00 . A A . 29 THR C 1 1 8 3271 1 1 29 THR CA C -12.606 13.887 -10.496 1.00 . A A . 29 THR CA 1 1 8 3272 1 1 29 THR CB C -12.303 12.824 -11.560 1.00 . A A . 29 THR CB 1 1 8 3273 1 1 29 THR CG2 C -10.795 12.644 -11.722 1.00 . A A . 29 THR CG2 1 1 8 3274 1 1 29 THR H H -14.639 13.486 -10.698 1.00 . A A . 29 THR H 1 1 8 3275 1 1 29 THR HA H -11.977 13.718 -9.635 1.00 . A A . 29 THR HA 1 1 8 3276 1 1 29 THR HB H -12.722 13.146 -12.500 1.00 . A A . 29 THR HB 1 1 8 3277 1 1 29 THR HG1 H -13.223 11.669 -10.272 1.00 . A A . 29 THR HG1 1 1 8 3278 1 1 29 THR HG21 H -10.368 12.329 -10.782 1.00 . A A . 29 THR HG21 1 1 8 3279 1 1 29 THR HG22 H -10.351 13.582 -12.022 1.00 . A A . 29 THR HG22 1 1 8 3280 1 1 29 THR HG23 H -10.599 11.896 -12.476 1.00 . A A . 29 THR HG23 1 1 8 3281 1 1 29 THR N N -13.969 13.849 -10.080 1.00 . A A . 29 THR N 1 1 8 3282 1 1 29 THR O O -12.586 15.525 -12.235 1.00 . A A . 29 THR O 1 1 8 3283 1 1 29 THR OG1 O -12.885 11.568 -11.171 1.00 . A A . 29 THR OG1 1 1 8 3284 1 1 30 ASN C C -10.023 17.630 -10.550 1.00 . A A . 30 ASN C 1 1 8 3285 1 1 30 ASN CA C -11.506 17.449 -10.671 1.00 . A A . 30 ASN CA 1 1 8 3286 1 1 30 ASN CB C -12.251 18.536 -9.874 1.00 . A A . 30 ASN CB 1 1 8 3287 1 1 30 ASN CG C -13.748 18.554 -10.143 1.00 . A A . 30 ASN CG 1 1 8 3288 1 1 30 ASN H H -11.748 15.881 -9.292 1.00 . A A . 30 ASN H 1 1 8 3289 1 1 30 ASN HA H -11.784 17.525 -11.712 1.00 . A A . 30 ASN HA 1 1 8 3290 1 1 30 ASN HB2 H -12.100 18.367 -8.819 1.00 . A A . 30 ASN HB2 1 1 8 3291 1 1 30 ASN HB3 H -11.845 19.500 -10.139 1.00 . A A . 30 ASN HB3 1 1 8 3292 1 1 30 ASN HD21 H -13.502 19.839 -11.633 1.00 . A A . 30 ASN HD21 1 1 8 3293 1 1 30 ASN HD22 H -15.119 19.351 -11.332 1.00 . A A . 30 ASN HD22 1 1 8 3294 1 1 30 ASN N N -11.855 16.129 -10.237 1.00 . A A . 30 ASN N 1 1 8 3295 1 1 30 ASN ND2 N -14.162 19.319 -11.123 1.00 . A A . 30 ASN ND2 1 1 8 3296 1 1 30 ASN O O -9.437 17.239 -9.528 1.00 . A A . 30 ASN O 1 1 8 3297 1 1 30 ASN OD1 O -14.529 17.877 -9.464 1.00 . A A . 30 ASN OD1 1 1 8 3298 1 1 31 PRO C C -7.671 19.612 -10.668 1.00 . A A . 31 PRO C 1 1 8 3299 1 1 31 PRO CA C -7.957 18.410 -11.568 1.00 . A A . 31 PRO CA 1 1 8 3300 1 1 31 PRO CB C -7.594 18.696 -13.031 1.00 . A A . 31 PRO CB 1 1 8 3301 1 1 31 PRO CD C -9.980 18.459 -12.910 1.00 . A A . 31 PRO CD 1 1 8 3302 1 1 31 PRO CG C -8.869 19.115 -13.678 1.00 . A A . 31 PRO CG 1 1 8 3303 1 1 31 PRO HA H -7.411 17.552 -11.203 1.00 . A A . 31 PRO HA 1 1 8 3304 1 1 31 PRO HB2 H -6.851 19.477 -13.071 1.00 . A A . 31 PRO HB2 1 1 8 3305 1 1 31 PRO HB3 H -7.199 17.799 -13.486 1.00 . A A . 31 PRO HB3 1 1 8 3306 1 1 31 PRO HD2 H -10.806 19.143 -12.789 1.00 . A A . 31 PRO HD2 1 1 8 3307 1 1 31 PRO HD3 H -10.305 17.561 -13.414 1.00 . A A . 31 PRO HD3 1 1 8 3308 1 1 31 PRO HG2 H -8.965 20.189 -13.623 1.00 . A A . 31 PRO HG2 1 1 8 3309 1 1 31 PRO HG3 H -8.883 18.793 -14.709 1.00 . A A . 31 PRO HG3 1 1 8 3310 1 1 31 PRO N N -9.374 18.134 -11.599 1.00 . A A . 31 PRO N 1 1 8 3311 1 1 31 PRO O O -7.788 20.766 -11.126 1.00 . A A . 31 PRO O 1 1 8 3312 1 1 31 PRO OXT O -7.379 19.406 -9.475 1.00 . A A . 31 PRO OXT 1 1 9 3313 1 1 1 ASP C C 3.834 14.969 3.785 1.00 . A A . 1 ASP C 1 1 9 3314 1 1 1 ASP CA C 5.095 15.625 4.273 1.00 . A A . 1 ASP CA 1 1 9 3315 1 1 1 ASP CB C 5.617 14.863 5.507 1.00 . A A . 1 ASP CB 1 1 9 3316 1 1 1 ASP CG C 7.003 15.270 5.938 1.00 . A A . 1 ASP CG 1 1 9 3317 1 1 1 ASP H1 H 4.112 17.119 5.326 1.00 . A A . 1 ASP H1 1 1 9 3318 1 1 1 ASP H2 H 4.449 17.499 3.733 1.00 . A A . 1 ASP H2 1 1 9 3319 1 1 1 ASP H3 H 5.696 17.535 4.869 1.00 . A A . 1 ASP H3 1 1 9 3320 1 1 1 ASP HA H 5.839 15.592 3.492 1.00 . A A . 1 ASP HA 1 1 9 3321 1 1 1 ASP HB2 H 4.950 15.042 6.336 1.00 . A A . 1 ASP HB2 1 1 9 3322 1 1 1 ASP HB3 H 5.622 13.806 5.284 1.00 . A A . 1 ASP HB3 1 1 9 3323 1 1 1 ASP N N 4.832 17.034 4.581 1.00 . A A . 1 ASP N 1 1 9 3324 1 1 1 ASP O O 2.755 15.188 4.350 1.00 . A A . 1 ASP O 1 1 9 3325 1 1 1 ASP OD1 O 7.973 14.531 5.642 1.00 . A A . 1 ASP OD1 1 1 9 3326 1 1 1 ASP OD2 O 7.155 16.332 6.592 1.00 . A A . 1 ASP OD2 1 1 9 3327 1 1 2 VAL C C 3.246 12.129 1.640 1.00 . A A . 2 VAL C 1 1 9 3328 1 1 2 VAL CA C 2.801 13.474 2.212 1.00 . A A . 2 VAL CA 1 1 9 3329 1 1 2 VAL CB C 2.006 14.318 1.142 1.00 . A A . 2 VAL CB 1 1 9 3330 1 1 2 VAL CG1 C 2.833 14.616 -0.100 1.00 . A A . 2 VAL CG1 1 1 9 3331 1 1 2 VAL CG2 C 0.687 13.649 0.765 1.00 . A A . 2 VAL CG2 1 1 9 3332 1 1 2 VAL H H 4.812 14.053 2.300 1.00 . A A . 2 VAL H 1 1 9 3333 1 1 2 VAL HA H 2.149 13.271 3.050 1.00 . A A . 2 VAL HA 1 1 9 3334 1 1 2 VAL HB H 1.777 15.268 1.602 1.00 . A A . 2 VAL HB 1 1 9 3335 1 1 2 VAL HG11 H 3.722 15.158 0.181 1.00 . A A . 2 VAL HG11 1 1 9 3336 1 1 2 VAL HG12 H 2.250 15.211 -0.787 1.00 . A A . 2 VAL HG12 1 1 9 3337 1 1 2 VAL HG13 H 3.110 13.687 -0.574 1.00 . A A . 2 VAL HG13 1 1 9 3338 1 1 2 VAL HG21 H 0.059 13.563 1.640 1.00 . A A . 2 VAL HG21 1 1 9 3339 1 1 2 VAL HG22 H 0.887 12.664 0.370 1.00 . A A . 2 VAL HG22 1 1 9 3340 1 1 2 VAL HG23 H 0.183 14.241 0.016 1.00 . A A . 2 VAL HG23 1 1 9 3341 1 1 2 VAL N N 3.941 14.184 2.740 1.00 . A A . 2 VAL N 1 1 9 3342 1 1 2 VAL O O 4.291 12.026 0.969 1.00 . A A . 2 VAL O 1 1 9 3343 1 1 3 SER C C 2.095 9.660 0.083 1.00 . A A . 3 SER C 1 1 9 3344 1 1 3 SER CA C 2.765 9.798 1.453 1.00 . A A . 3 SER CA 1 1 9 3345 1 1 3 SER CB C 2.185 8.779 2.436 1.00 . A A . 3 SER CB 1 1 9 3346 1 1 3 SER H H 1.703 11.235 2.499 1.00 . A A . 3 SER H 1 1 9 3347 1 1 3 SER HA H 3.833 9.661 1.376 1.00 . A A . 3 SER HA 1 1 9 3348 1 1 3 SER HB2 H 1.107 8.841 2.429 1.00 . A A . 3 SER HB2 1 1 9 3349 1 1 3 SER HB3 H 2.492 7.786 2.143 1.00 . A A . 3 SER HB3 1 1 9 3350 1 1 3 SER HG H 3.432 9.593 3.656 1.00 . A A . 3 SER HG 1 1 9 3351 1 1 3 SER N N 2.501 11.112 1.941 1.00 . A A . 3 SER N 1 1 9 3352 1 1 3 SER O O 0.966 10.137 -0.092 1.00 . A A . 3 SER O 1 1 9 3353 1 1 3 SER OG O 2.656 9.026 3.764 1.00 . A A . 3 SER OG 1 1 9 3354 1 1 4 PRO C C 0.941 8.068 -2.211 1.00 . A A . 4 PRO C 1 1 9 3355 1 1 4 PRO CA C 2.217 8.876 -2.253 1.00 . A A . 4 PRO CA 1 1 9 3356 1 1 4 PRO CB C 3.289 8.096 -3.004 1.00 . A A . 4 PRO CB 1 1 9 3357 1 1 4 PRO CD C 4.132 8.500 -0.815 1.00 . A A . 4 PRO CD 1 1 9 3358 1 1 4 PRO CG C 4.532 8.342 -2.250 1.00 . A A . 4 PRO CG 1 1 9 3359 1 1 4 PRO HA H 2.035 9.822 -2.741 1.00 . A A . 4 PRO HA 1 1 9 3360 1 1 4 PRO HB2 H 3.032 7.046 -3.010 1.00 . A A . 4 PRO HB2 1 1 9 3361 1 1 4 PRO HB3 H 3.364 8.459 -4.018 1.00 . A A . 4 PRO HB3 1 1 9 3362 1 1 4 PRO HD2 H 4.128 7.545 -0.311 1.00 . A A . 4 PRO HD2 1 1 9 3363 1 1 4 PRO HD3 H 4.800 9.192 -0.323 1.00 . A A . 4 PRO HD3 1 1 9 3364 1 1 4 PRO HG2 H 5.186 7.493 -2.365 1.00 . A A . 4 PRO HG2 1 1 9 3365 1 1 4 PRO HG3 H 5.007 9.241 -2.611 1.00 . A A . 4 PRO HG3 1 1 9 3366 1 1 4 PRO N N 2.777 9.056 -0.911 1.00 . A A . 4 PRO N 1 1 9 3367 1 1 4 PRO O O 0.821 7.124 -1.433 1.00 . A A . 4 PRO O 1 1 9 3368 1 1 5 CYS C C -1.237 6.711 -4.135 1.00 . A A . 5 CYS C 1 1 9 3369 1 1 5 CYS CA C -1.255 7.779 -3.061 1.00 . A A . 5 CYS CA 1 1 9 3370 1 1 5 CYS CB C -2.366 8.793 -3.329 1.00 . A A . 5 CYS CB 1 1 9 3371 1 1 5 CYS H H 0.162 9.179 -3.640 1.00 . A A . 5 CYS H 1 1 9 3372 1 1 5 CYS HA H -1.431 7.317 -2.101 1.00 . A A . 5 CYS HA 1 1 9 3373 1 1 5 CYS HB2 H -2.357 9.543 -2.552 1.00 . A A . 5 CYS HB2 1 1 9 3374 1 1 5 CYS HB3 H -2.177 9.272 -4.277 1.00 . A A . 5 CYS HB3 1 1 9 3375 1 1 5 CYS N N 0.006 8.438 -3.017 1.00 . A A . 5 CYS N 1 1 9 3376 1 1 5 CYS O O -1.254 7.014 -5.332 1.00 . A A . 5 CYS O 1 1 9 3377 1 1 5 CYS SG S -4.044 8.082 -3.388 1.00 . A A . 5 CYS SG 1 1 9 3378 1 1 6 PHE C C -2.122 3.324 -4.123 1.00 . A A . 6 PHE C 1 1 9 3379 1 1 6 PHE CA C -1.165 4.370 -4.632 1.00 . A A . 6 PHE CA 1 1 9 3380 1 1 6 PHE CB C 0.252 3.786 -4.876 1.00 . A A . 6 PHE CB 1 1 9 3381 1 1 6 PHE CD1 C 0.852 2.043 -3.150 1.00 . A A . 6 PHE CD1 1 1 9 3382 1 1 6 PHE CD2 C 1.853 4.197 -2.977 1.00 . A A . 6 PHE CD2 1 1 9 3383 1 1 6 PHE CE1 C 1.543 1.627 -2.029 1.00 . A A . 6 PHE CE1 1 1 9 3384 1 1 6 PHE CE2 C 2.545 3.788 -1.855 1.00 . A A . 6 PHE CE2 1 1 9 3385 1 1 6 PHE CG C 0.998 3.333 -3.638 1.00 . A A . 6 PHE CG 1 1 9 3386 1 1 6 PHE CZ C 2.390 2.501 -1.380 1.00 . A A . 6 PHE CZ 1 1 9 3387 1 1 6 PHE H H -1.064 5.298 -2.754 1.00 . A A . 6 PHE H 1 1 9 3388 1 1 6 PHE HA H -1.556 4.746 -5.566 1.00 . A A . 6 PHE HA 1 1 9 3389 1 1 6 PHE HB2 H 0.167 2.930 -5.528 1.00 . A A . 6 PHE HB2 1 1 9 3390 1 1 6 PHE HB3 H 0.852 4.536 -5.370 1.00 . A A . 6 PHE HB3 1 1 9 3391 1 1 6 PHE HD1 H 0.189 1.359 -3.657 1.00 . A A . 6 PHE HD1 1 1 9 3392 1 1 6 PHE HD2 H 1.975 5.204 -3.347 1.00 . A A . 6 PHE HD2 1 1 9 3393 1 1 6 PHE HE1 H 1.420 0.620 -1.660 1.00 . A A . 6 PHE HE1 1 1 9 3394 1 1 6 PHE HE2 H 3.208 4.474 -1.350 1.00 . A A . 6 PHE HE2 1 1 9 3395 1 1 6 PHE HZ H 2.931 2.179 -0.502 1.00 . A A . 6 PHE HZ 1 1 9 3396 1 1 6 PHE N N -1.142 5.480 -3.718 1.00 . A A . 6 PHE N 1 1 9 3397 1 1 6 PHE O O -2.302 3.175 -2.906 1.00 . A A . 6 PHE O 1 1 9 3398 1 1 7 CYS C C -3.201 0.282 -5.069 1.00 . A A . 7 CYS C 1 1 9 3399 1 1 7 CYS CA C -3.703 1.631 -4.634 1.00 . A A . 7 CYS CA 1 1 9 3400 1 1 7 CYS CB C -5.087 1.936 -5.188 1.00 . A A . 7 CYS CB 1 1 9 3401 1 1 7 CYS H H -2.624 2.808 -5.973 1.00 . A A . 7 CYS H 1 1 9 3402 1 1 7 CYS HA H -3.744 1.630 -3.559 1.00 . A A . 7 CYS HA 1 1 9 3403 1 1 7 CYS HB2 H -5.060 1.831 -6.262 1.00 . A A . 7 CYS HB2 1 1 9 3404 1 1 7 CYS HB3 H -5.790 1.224 -4.784 1.00 . A A . 7 CYS HB3 1 1 9 3405 1 1 7 CYS N N -2.767 2.641 -5.016 1.00 . A A . 7 CYS N 1 1 9 3406 1 1 7 CYS O O -2.555 0.155 -6.119 1.00 . A A . 7 CYS O 1 1 9 3407 1 1 7 CYS SG S -5.687 3.620 -4.768 1.00 . A A . 7 CYS SG 1 1 9 3408 1 1 8 VAL C C -4.109 -2.989 -4.176 1.00 . A A . 8 VAL C 1 1 9 3409 1 1 8 VAL CA C -2.965 -2.052 -4.467 1.00 . A A . 8 VAL CA 1 1 9 3410 1 1 8 VAL CB C -1.808 -2.392 -3.451 1.00 . A A . 8 VAL CB 1 1 9 3411 1 1 8 VAL CG1 C -1.133 -3.721 -3.769 1.00 . A A . 8 VAL CG1 1 1 9 3412 1 1 8 VAL CG2 C -0.774 -1.278 -3.343 1.00 . A A . 8 VAL CG2 1 1 9 3413 1 1 8 VAL H H -4.078 -0.581 -3.501 1.00 . A A . 8 VAL H 1 1 9 3414 1 1 8 VAL HA H -2.608 -2.169 -5.479 1.00 . A A . 8 VAL HA 1 1 9 3415 1 1 8 VAL HB H -2.281 -2.514 -2.488 1.00 . A A . 8 VAL HB 1 1 9 3416 1 1 8 VAL HG11 H -0.360 -3.917 -3.040 1.00 . A A . 8 VAL HG11 1 1 9 3417 1 1 8 VAL HG12 H -0.692 -3.673 -4.753 1.00 . A A . 8 VAL HG12 1 1 9 3418 1 1 8 VAL HG13 H -1.865 -4.514 -3.740 1.00 . A A . 8 VAL HG13 1 1 9 3419 1 1 8 VAL HG21 H -0.312 -1.121 -4.306 1.00 . A A . 8 VAL HG21 1 1 9 3420 1 1 8 VAL HG22 H -0.020 -1.553 -2.621 1.00 . A A . 8 VAL HG22 1 1 9 3421 1 1 8 VAL HG23 H -1.262 -0.368 -3.026 1.00 . A A . 8 VAL HG23 1 1 9 3422 1 1 8 VAL N N -3.467 -0.713 -4.263 1.00 . A A . 8 VAL N 1 1 9 3423 1 1 8 VAL O O -5.024 -2.625 -3.418 1.00 . A A . 8 VAL O 1 1 9 3424 1 1 9 GLU C C -4.671 -5.757 -3.136 1.00 . A A . 9 GLU C 1 1 9 3425 1 1 9 GLU CA C -5.089 -5.121 -4.441 1.00 . A A . 9 GLU CA 1 1 9 3426 1 1 9 GLU CB C -5.225 -6.168 -5.539 1.00 . A A . 9 GLU CB 1 1 9 3427 1 1 9 GLU CD C -6.451 -8.175 -6.383 1.00 . A A . 9 GLU CD 1 1 9 3428 1 1 9 GLU CG C -6.325 -7.181 -5.276 1.00 . A A . 9 GLU CG 1 1 9 3429 1 1 9 GLU H H -3.401 -4.368 -5.417 1.00 . A A . 9 GLU H 1 1 9 3430 1 1 9 GLU HA H -6.030 -4.614 -4.298 1.00 . A A . 9 GLU HA 1 1 9 3431 1 1 9 GLU HB2 H -5.438 -5.669 -6.473 1.00 . A A . 9 GLU HB2 1 1 9 3432 1 1 9 GLU HB3 H -4.290 -6.700 -5.629 1.00 . A A . 9 GLU HB3 1 1 9 3433 1 1 9 GLU HG2 H -6.101 -7.709 -4.361 1.00 . A A . 9 GLU HG2 1 1 9 3434 1 1 9 GLU HG3 H -7.263 -6.657 -5.167 1.00 . A A . 9 GLU HG3 1 1 9 3435 1 1 9 GLU N N -4.104 -4.146 -4.769 1.00 . A A . 9 GLU N 1 1 9 3436 1 1 9 GLU O O -3.675 -6.474 -3.075 1.00 . A A . 9 GLU O 1 1 9 3437 1 1 9 GLU OE1 O -5.813 -9.237 -6.316 1.00 . A A . 9 GLU OE1 1 1 9 3438 1 1 9 GLU OE2 O -7.178 -7.895 -7.369 1.00 . A A . 9 GLU OE2 1 1 9 3439 1 1 10 ASP C C -5.664 -7.312 -0.624 1.00 . A A . 10 ASP C 1 1 9 3440 1 1 10 ASP CA C -5.044 -5.970 -0.812 1.00 . A A . 10 ASP CA 1 1 9 3441 1 1 10 ASP CB C -5.433 -5.032 0.322 1.00 . A A . 10 ASP CB 1 1 9 3442 1 1 10 ASP CG C -5.268 -5.697 1.667 1.00 . A A . 10 ASP CG 1 1 9 3443 1 1 10 ASP H H -6.168 -4.878 -2.177 1.00 . A A . 10 ASP H 1 1 9 3444 1 1 10 ASP HA H -3.972 -6.095 -0.798 1.00 . A A . 10 ASP HA 1 1 9 3445 1 1 10 ASP HB2 H -4.811 -4.151 0.292 1.00 . A A . 10 ASP HB2 1 1 9 3446 1 1 10 ASP HB3 H -6.469 -4.748 0.208 1.00 . A A . 10 ASP HB3 1 1 9 3447 1 1 10 ASP N N -5.373 -5.446 -2.094 1.00 . A A . 10 ASP N 1 1 9 3448 1 1 10 ASP O O -6.888 -7.453 -0.607 1.00 . A A . 10 ASP O 1 1 9 3449 1 1 10 ASP OD1 O -6.218 -5.690 2.461 1.00 . A A . 10 ASP OD1 1 1 9 3450 1 1 10 ASP OD2 O -4.216 -6.305 1.930 1.00 . A A . 10 ASP OD2 1 1 9 3451 1 1 11 GLU C C -5.823 -9.918 1.061 1.00 . A A . 11 GLU C 1 1 9 3452 1 1 11 GLU CA C -5.209 -9.666 -0.314 1.00 . A A . 11 GLU CA 1 1 9 3453 1 1 11 GLU CB C -4.001 -10.560 -0.536 1.00 . A A . 11 GLU CB 1 1 9 3454 1 1 11 GLU CD C -1.660 -11.144 0.115 1.00 . A A . 11 GLU CD 1 1 9 3455 1 1 11 GLU CG C -2.802 -10.206 0.325 1.00 . A A . 11 GLU CG 1 1 9 3456 1 1 11 GLU H H -3.863 -8.062 -0.506 1.00 . A A . 11 GLU H 1 1 9 3457 1 1 11 GLU HA H -5.944 -9.896 -1.070 1.00 . A A . 11 GLU HA 1 1 9 3458 1 1 11 GLU HB2 H -4.268 -11.589 -0.349 1.00 . A A . 11 GLU HB2 1 1 9 3459 1 1 11 GLU HB3 H -3.709 -10.447 -1.567 1.00 . A A . 11 GLU HB3 1 1 9 3460 1 1 11 GLU HG2 H -2.473 -9.208 0.077 1.00 . A A . 11 GLU HG2 1 1 9 3461 1 1 11 GLU HG3 H -3.096 -10.240 1.364 1.00 . A A . 11 GLU HG3 1 1 9 3462 1 1 11 GLU N N -4.818 -8.286 -0.483 1.00 . A A . 11 GLU N 1 1 9 3463 1 1 11 GLU O O -6.531 -10.903 1.263 1.00 . A A . 11 GLU O 1 1 9 3464 1 1 11 GLU OE1 O -0.889 -10.967 -0.841 1.00 . A A . 11 GLU OE1 1 1 9 3465 1 1 11 GLU OE2 O -1.505 -12.082 0.910 1.00 . A A . 11 GLU OE2 1 1 9 3466 1 1 12 THR C C -7.592 -8.843 3.299 1.00 . A A . 12 THR C 1 1 9 3467 1 1 12 THR CA C -6.081 -9.141 3.324 1.00 . A A . 12 THR CA 1 1 9 3468 1 1 12 THR CB C -5.367 -8.140 4.245 1.00 . A A . 12 THR CB 1 1 9 3469 1 1 12 THR CG2 C -5.487 -8.562 5.703 1.00 . A A . 12 THR CG2 1 1 9 3470 1 1 12 THR H H -4.972 -8.273 1.755 1.00 . A A . 12 THR H 1 1 9 3471 1 1 12 THR HA H -5.911 -10.145 3.682 1.00 . A A . 12 THR HA 1 1 9 3472 1 1 12 THR HB H -5.805 -7.162 4.112 1.00 . A A . 12 THR HB 1 1 9 3473 1 1 12 THR HG1 H -3.901 -7.354 3.267 1.00 . A A . 12 THR HG1 1 1 9 3474 1 1 12 THR HG21 H -5.024 -9.529 5.837 1.00 . A A . 12 THR HG21 1 1 9 3475 1 1 12 THR HG22 H -6.530 -8.624 5.973 1.00 . A A . 12 THR HG22 1 1 9 3476 1 1 12 THR HG23 H -4.994 -7.835 6.331 1.00 . A A . 12 THR HG23 1 1 9 3477 1 1 12 THR N N -5.556 -9.029 1.983 1.00 . A A . 12 THR N 1 1 9 3478 1 1 12 THR O O -8.403 -9.588 3.863 1.00 . A A . 12 THR O 1 1 9 3479 1 1 12 THR OG1 O -3.973 -8.103 3.886 1.00 . A A . 12 THR OG1 1 1 9 3480 1 1 13 SER C C -10.002 -8.143 1.335 1.00 . A A . 13 SER C 1 1 9 3481 1 1 13 SER CA C -9.339 -7.378 2.488 1.00 . A A . 13 SER CA 1 1 9 3482 1 1 13 SER CB C -9.418 -5.882 2.245 1.00 . A A . 13 SER CB 1 1 9 3483 1 1 13 SER H H -7.258 -7.167 2.272 1.00 . A A . 13 SER H 1 1 9 3484 1 1 13 SER HA H -9.858 -7.603 3.404 1.00 . A A . 13 SER HA 1 1 9 3485 1 1 13 SER HB2 H -9.003 -5.683 1.270 1.00 . A A . 13 SER HB2 1 1 9 3486 1 1 13 SER HB3 H -10.448 -5.558 2.279 1.00 . A A . 13 SER HB3 1 1 9 3487 1 1 13 SER HG H -7.727 -5.305 3.012 1.00 . A A . 13 SER HG 1 1 9 3488 1 1 13 SER N N -7.956 -7.762 2.634 1.00 . A A . 13 SER N 1 1 9 3489 1 1 13 SER O O -11.199 -8.431 1.375 1.00 . A A . 13 SER O 1 1 9 3490 1 1 13 SER OG O -8.668 -5.171 3.232 1.00 . A A . 13 SER OG 1 1 9 3491 1 1 14 GLY C C -10.132 -8.249 -1.938 1.00 . A A . 14 GLY C 1 1 9 3492 1 1 14 GLY CA C -9.730 -9.191 -0.821 1.00 . A A . 14 GLY CA 1 1 9 3493 1 1 14 GLY H H -8.264 -8.232 0.333 1.00 . A A . 14 GLY H 1 1 9 3494 1 1 14 GLY HA2 H -8.970 -9.867 -1.184 1.00 . A A . 14 GLY HA2 1 1 9 3495 1 1 14 GLY HA3 H -10.596 -9.761 -0.519 1.00 . A A . 14 GLY HA3 1 1 9 3496 1 1 14 GLY N N -9.217 -8.474 0.324 1.00 . A A . 14 GLY N 1 1 9 3497 1 1 14 GLY O O -10.834 -8.646 -2.877 1.00 . A A . 14 GLY O 1 1 9 3498 1 1 15 ALA C C -8.982 -4.858 -2.759 1.00 . A A . 15 ALA C 1 1 9 3499 1 1 15 ALA CA C -10.009 -5.976 -2.822 1.00 . A A . 15 ALA CA 1 1 9 3500 1 1 15 ALA CB C -11.405 -5.421 -2.537 1.00 . A A . 15 ALA CB 1 1 9 3501 1 1 15 ALA H H -9.038 -6.786 -1.135 1.00 . A A . 15 ALA H 1 1 9 3502 1 1 15 ALA HA H -10.001 -6.416 -3.808 1.00 . A A . 15 ALA HA 1 1 9 3503 1 1 15 ALA HB1 H -11.422 -4.983 -1.551 1.00 . A A . 15 ALA HB1 1 1 9 3504 1 1 15 ALA HB2 H -12.129 -6.221 -2.590 1.00 . A A . 15 ALA HB2 1 1 9 3505 1 1 15 ALA HB3 H -11.647 -4.666 -3.270 1.00 . A A . 15 ALA HB3 1 1 9 3506 1 1 15 ALA N N -9.667 -7.012 -1.854 1.00 . A A . 15 ALA N 1 1 9 3507 1 1 15 ALA O O -8.125 -4.855 -1.874 1.00 . A A . 15 ALA O 1 1 9 3508 1 1 16 LYS C C -8.315 -1.864 -2.548 1.00 . A A . 16 LYS C 1 1 9 3509 1 1 16 LYS CA C -8.148 -2.800 -3.710 1.00 . A A . 16 LYS CA 1 1 9 3510 1 1 16 LYS CB C -8.158 -2.037 -5.043 1.00 . A A . 16 LYS CB 1 1 9 3511 1 1 16 LYS CD C -7.373 -1.906 -7.457 1.00 . A A . 16 LYS CD 1 1 9 3512 1 1 16 LYS CE C -8.762 -1.866 -8.095 1.00 . A A . 16 LYS CE 1 1 9 3513 1 1 16 LYS CG C -7.346 -2.704 -6.149 1.00 . A A . 16 LYS CG 1 1 9 3514 1 1 16 LYS H H -9.779 -3.961 -4.348 1.00 . A A . 16 LYS H 1 1 9 3515 1 1 16 LYS HA H -7.164 -3.227 -3.588 1.00 . A A . 16 LYS HA 1 1 9 3516 1 1 16 LYS HB2 H -9.182 -1.954 -5.377 1.00 . A A . 16 LYS HB2 1 1 9 3517 1 1 16 LYS HB3 H -7.762 -1.046 -4.879 1.00 . A A . 16 LYS HB3 1 1 9 3518 1 1 16 LYS HD2 H -7.061 -0.894 -7.252 1.00 . A A . 16 LYS HD2 1 1 9 3519 1 1 16 LYS HD3 H -6.680 -2.356 -8.152 1.00 . A A . 16 LYS HD3 1 1 9 3520 1 1 16 LYS HE2 H -9.466 -1.448 -7.390 1.00 . A A . 16 LYS HE2 1 1 9 3521 1 1 16 LYS HE3 H -8.720 -1.234 -8.969 1.00 . A A . 16 LYS HE3 1 1 9 3522 1 1 16 LYS HG2 H -6.321 -2.766 -5.813 1.00 . A A . 16 LYS HG2 1 1 9 3523 1 1 16 LYS HG3 H -7.715 -3.702 -6.318 1.00 . A A . 16 LYS HG3 1 1 9 3524 1 1 16 LYS HZ1 H -10.186 -3.162 -8.897 1.00 . A A . 16 LYS HZ1 1 1 9 3525 1 1 16 LYS HZ2 H -9.260 -3.869 -7.697 1.00 . A A . 16 LYS HZ2 1 1 9 3526 1 1 16 LYS HZ3 H -8.613 -3.631 -9.222 1.00 . A A . 16 LYS HZ3 1 1 9 3527 1 1 16 LYS N N -9.066 -3.915 -3.676 1.00 . A A . 16 LYS N 1 1 9 3528 1 1 16 LYS NZ N -9.228 -3.209 -8.497 1.00 . A A . 16 LYS NZ 1 1 9 3529 1 1 16 LYS O O -9.422 -1.483 -2.163 1.00 . A A . 16 LYS O 1 1 9 3530 1 1 17 THR C C -5.974 0.290 -1.250 1.00 . A A . 17 THR C 1 1 9 3531 1 1 17 THR CA C -7.120 -0.637 -0.898 1.00 . A A . 17 THR CA 1 1 9 3532 1 1 17 THR CB C -6.830 -1.409 0.414 1.00 . A A . 17 THR CB 1 1 9 3533 1 1 17 THR CG2 C -6.847 -0.482 1.619 1.00 . A A . 17 THR CG2 1 1 9 3534 1 1 17 THR H H -6.373 -1.917 -2.321 1.00 . A A . 17 THR H 1 1 9 3535 1 1 17 THR HA H -8.042 -0.080 -0.810 1.00 . A A . 17 THR HA 1 1 9 3536 1 1 17 THR HB H -5.864 -1.887 0.334 1.00 . A A . 17 THR HB 1 1 9 3537 1 1 17 THR HG1 H -8.233 -2.576 -0.277 1.00 . A A . 17 THR HG1 1 1 9 3538 1 1 17 THR HG21 H -7.822 -0.026 1.702 1.00 . A A . 17 THR HG21 1 1 9 3539 1 1 17 THR HG22 H -6.100 0.287 1.488 1.00 . A A . 17 THR HG22 1 1 9 3540 1 1 17 THR HG23 H -6.634 -1.049 2.514 1.00 . A A . 17 THR HG23 1 1 9 3541 1 1 17 THR N N -7.218 -1.543 -1.981 1.00 . A A . 17 THR N 1 1 9 3542 1 1 17 THR O O -5.078 -0.104 -2.013 1.00 . A A . 17 THR O 1 1 9 3543 1 1 17 THR OG1 O -7.845 -2.415 0.591 1.00 . A A . 17 THR OG1 1 1 9 3544 1 1 18 CYS C C -4.115 2.658 0.070 1.00 . A A . 18 CYS C 1 1 9 3545 1 1 18 CYS CA C -4.959 2.388 -1.126 1.00 . A A . 18 CYS CA 1 1 9 3546 1 1 18 CYS CB C -5.522 3.671 -1.706 1.00 . A A . 18 CYS CB 1 1 9 3547 1 1 18 CYS H H -6.706 1.800 -0.183 1.00 . A A . 18 CYS H 1 1 9 3548 1 1 18 CYS HA H -4.340 1.910 -1.866 1.00 . A A . 18 CYS HA 1 1 9 3549 1 1 18 CYS HB2 H -5.959 4.248 -0.908 1.00 . A A . 18 CYS HB2 1 1 9 3550 1 1 18 CYS HB3 H -4.703 4.240 -2.121 1.00 . A A . 18 CYS HB3 1 1 9 3551 1 1 18 CYS N N -5.996 1.486 -0.782 1.00 . A A . 18 CYS N 1 1 9 3552 1 1 18 CYS O O -4.542 2.435 1.208 1.00 . A A . 18 CYS O 1 1 9 3553 1 1 18 CYS SG S -6.748 3.397 -3.047 1.00 . A A . 18 CYS SG 1 1 9 3554 1 1 19 VAL C C -1.418 4.756 0.596 1.00 . A A . 19 VAL C 1 1 9 3555 1 1 19 VAL CA C -1.950 3.350 0.828 1.00 . A A . 19 VAL CA 1 1 9 3556 1 1 19 VAL CB C -0.769 2.331 0.764 1.00 . A A . 19 VAL CB 1 1 9 3557 1 1 19 VAL CG1 C 0.264 2.624 1.835 1.00 . A A . 19 VAL CG1 1 1 9 3558 1 1 19 VAL CG2 C -1.263 0.892 0.889 1.00 . A A . 19 VAL CG2 1 1 9 3559 1 1 19 VAL H H -2.678 3.247 -1.124 1.00 . A A . 19 VAL H 1 1 9 3560 1 1 19 VAL HA H -2.431 3.283 1.793 1.00 . A A . 19 VAL HA 1 1 9 3561 1 1 19 VAL HB H -0.288 2.442 -0.198 1.00 . A A . 19 VAL HB 1 1 9 3562 1 1 19 VAL HG11 H 0.652 3.622 1.696 1.00 . A A . 19 VAL HG11 1 1 9 3563 1 1 19 VAL HG12 H 1.070 1.909 1.761 1.00 . A A . 19 VAL HG12 1 1 9 3564 1 1 19 VAL HG13 H -0.197 2.549 2.808 1.00 . A A . 19 VAL HG13 1 1 9 3565 1 1 19 VAL HG21 H -1.949 0.676 0.084 1.00 . A A . 19 VAL HG21 1 1 9 3566 1 1 19 VAL HG22 H -1.769 0.766 1.835 1.00 . A A . 19 VAL HG22 1 1 9 3567 1 1 19 VAL HG23 H -0.423 0.216 0.839 1.00 . A A . 19 VAL HG23 1 1 9 3568 1 1 19 VAL N N -2.923 3.078 -0.186 1.00 . A A . 19 VAL N 1 1 9 3569 1 1 19 VAL O O -0.836 5.017 -0.464 1.00 . A A . 19 VAL O 1 1 9 3570 1 1 20 PRO C C -3.877 5.267 2.567 1.00 . A A . 20 PRO C 1 1 9 3571 1 1 20 PRO CA C -2.372 5.457 2.801 1.00 . A A . 20 PRO CA 1 1 9 3572 1 1 20 PRO CB C -2.134 6.740 3.597 1.00 . A A . 20 PRO CB 1 1 9 3573 1 1 20 PRO CD C -1.146 7.088 1.467 1.00 . A A . 20 PRO CD 1 1 9 3574 1 1 20 PRO CG C -1.896 7.776 2.569 1.00 . A A . 20 PRO CG 1 1 9 3575 1 1 20 PRO HA H -1.976 4.611 3.344 1.00 . A A . 20 PRO HA 1 1 9 3576 1 1 20 PRO HB2 H -3.022 6.964 4.171 1.00 . A A . 20 PRO HB2 1 1 9 3577 1 1 20 PRO HB3 H -1.283 6.622 4.251 1.00 . A A . 20 PRO HB3 1 1 9 3578 1 1 20 PRO HD2 H -1.374 7.530 0.509 1.00 . A A . 20 PRO HD2 1 1 9 3579 1 1 20 PRO HD3 H -0.085 7.132 1.659 1.00 . A A . 20 PRO HD3 1 1 9 3580 1 1 20 PRO HG2 H -2.844 8.154 2.217 1.00 . A A . 20 PRO HG2 1 1 9 3581 1 1 20 PRO HG3 H -1.316 8.586 2.978 1.00 . A A . 20 PRO HG3 1 1 9 3582 1 1 20 PRO N N -1.629 5.701 1.544 1.00 . A A . 20 PRO N 1 1 9 3583 1 1 20 PRO O O -4.384 5.509 1.454 1.00 . A A . 20 PRO O 1 1 9 3584 1 1 21 ASP C C -6.764 5.805 3.084 1.00 . A A . 21 ASP C 1 1 9 3585 1 1 21 ASP CA C -6.009 4.578 3.561 1.00 . A A . 21 ASP CA 1 1 9 3586 1 1 21 ASP CB C -6.509 4.167 4.946 1.00 . A A . 21 ASP CB 1 1 9 3587 1 1 21 ASP CG C -7.982 3.828 4.990 1.00 . A A . 21 ASP CG 1 1 9 3588 1 1 21 ASP H H -4.101 4.735 4.466 1.00 . A A . 21 ASP H 1 1 9 3589 1 1 21 ASP HA H -6.178 3.765 2.871 1.00 . A A . 21 ASP HA 1 1 9 3590 1 1 21 ASP HB2 H -5.948 3.320 5.308 1.00 . A A . 21 ASP HB2 1 1 9 3591 1 1 21 ASP HB3 H -6.342 5.010 5.597 1.00 . A A . 21 ASP HB3 1 1 9 3592 1 1 21 ASP N N -4.571 4.851 3.611 1.00 . A A . 21 ASP N 1 1 9 3593 1 1 21 ASP O O -6.662 6.880 3.693 1.00 . A A . 21 ASP O 1 1 9 3594 1 1 21 ASP OD1 O -8.813 4.748 5.147 1.00 . A A . 21 ASP OD1 1 1 9 3595 1 1 21 ASP OD2 O -8.339 2.634 4.922 1.00 . A A . 21 ASP OD2 1 1 9 3596 1 1 22 ASN C C -7.431 7.924 1.007 1.00 . A A . 22 ASN C 1 1 9 3597 1 1 22 ASN CA C -8.266 6.688 1.340 1.00 . A A . 22 ASN CA 1 1 9 3598 1 1 22 ASN CB C -9.511 7.045 2.157 1.00 . A A . 22 ASN CB 1 1 9 3599 1 1 22 ASN CG C -10.575 5.956 2.126 1.00 . A A . 22 ASN CG 1 1 9 3600 1 1 22 ASN H H -7.516 4.751 1.577 1.00 . A A . 22 ASN H 1 1 9 3601 1 1 22 ASN HA H -8.592 6.263 0.403 1.00 . A A . 22 ASN HA 1 1 9 3602 1 1 22 ASN HB2 H -9.234 7.241 3.181 1.00 . A A . 22 ASN HB2 1 1 9 3603 1 1 22 ASN HB3 H -9.920 7.935 1.713 1.00 . A A . 22 ASN HB3 1 1 9 3604 1 1 22 ASN HD21 H -9.834 5.086 3.756 1.00 . A A . 22 ASN HD21 1 1 9 3605 1 1 22 ASN HD22 H -11.216 4.342 3.064 1.00 . A A . 22 ASN HD22 1 1 9 3606 1 1 22 ASN N N -7.484 5.639 1.983 1.00 . A A . 22 ASN N 1 1 9 3607 1 1 22 ASN ND2 N -10.536 5.047 3.064 1.00 . A A . 22 ASN ND2 1 1 9 3608 1 1 22 ASN O O -7.881 9.061 1.169 1.00 . A A . 22 ASN O 1 1 9 3609 1 1 22 ASN OD1 O -11.438 5.940 1.250 1.00 . A A . 22 ASN OD1 1 1 9 3610 1 1 23 CYS C C -5.827 9.740 -0.900 1.00 . A A . 23 CYS C 1 1 9 3611 1 1 23 CYS CA C -5.271 8.741 0.125 1.00 . A A . 23 CYS CA 1 1 9 3612 1 1 23 CYS CB C -3.970 8.125 -0.368 1.00 . A A . 23 CYS CB 1 1 9 3613 1 1 23 CYS H H -5.896 6.762 0.436 1.00 . A A . 23 CYS H 1 1 9 3614 1 1 23 CYS HA H -5.058 9.301 1.016 1.00 . A A . 23 CYS HA 1 1 9 3615 1 1 23 CYS HB2 H -3.310 8.905 -0.713 1.00 . A A . 23 CYS HB2 1 1 9 3616 1 1 23 CYS HB3 H -3.506 7.597 0.451 1.00 . A A . 23 CYS HB3 1 1 9 3617 1 1 23 CYS N N -6.216 7.688 0.511 1.00 . A A . 23 CYS N 1 1 9 3618 1 1 23 CYS O O -5.390 10.895 -0.962 1.00 . A A . 23 CYS O 1 1 9 3619 1 1 23 CYS SG S -4.170 6.932 -1.731 1.00 . A A . 23 CYS SG 1 1 9 3620 1 1 24 ASP C C -8.720 10.694 -2.129 1.00 . A A . 24 ASP C 1 1 9 3621 1 1 24 ASP CA C -7.391 10.214 -2.641 1.00 . A A . 24 ASP CA 1 1 9 3622 1 1 24 ASP CB C -7.436 9.693 -4.119 1.00 . A A . 24 ASP CB 1 1 9 3623 1 1 24 ASP CG C -8.112 8.345 -4.337 1.00 . A A . 24 ASP CG 1 1 9 3624 1 1 24 ASP H H -7.069 8.397 -1.568 1.00 . A A . 24 ASP H 1 1 9 3625 1 1 24 ASP HA H -6.765 11.096 -2.605 1.00 . A A . 24 ASP HA 1 1 9 3626 1 1 24 ASP HB2 H -7.968 10.414 -4.721 1.00 . A A . 24 ASP HB2 1 1 9 3627 1 1 24 ASP HB3 H -6.422 9.630 -4.486 1.00 . A A . 24 ASP HB3 1 1 9 3628 1 1 24 ASP N N -6.771 9.320 -1.685 1.00 . A A . 24 ASP N 1 1 9 3629 1 1 24 ASP O O -9.774 10.163 -2.439 1.00 . A A . 24 ASP O 1 1 9 3630 1 1 24 ASP OD1 O -7.411 7.307 -4.350 1.00 . A A . 24 ASP OD1 1 1 9 3631 1 1 24 ASP OD2 O -9.341 8.283 -4.530 1.00 . A A . 24 ASP OD2 1 1 9 3632 1 1 25 ALA C C -9.293 13.612 -0.048 1.00 . A A . 25 ALA C 1 1 9 3633 1 1 25 ALA CA C -9.756 12.293 -0.633 1.00 . A A . 25 ALA CA 1 1 9 3634 1 1 25 ALA CB C -10.372 11.417 0.462 1.00 . A A . 25 ALA CB 1 1 9 3635 1 1 25 ALA H H -7.723 11.902 -0.962 1.00 . A A . 25 ALA H 1 1 9 3636 1 1 25 ALA HA H -10.497 12.478 -1.398 1.00 . A A . 25 ALA HA 1 1 9 3637 1 1 25 ALA HB1 H -10.703 10.484 0.032 1.00 . A A . 25 ALA HB1 1 1 9 3638 1 1 25 ALA HB2 H -11.212 11.928 0.908 1.00 . A A . 25 ALA HB2 1 1 9 3639 1 1 25 ALA HB3 H -9.630 11.219 1.222 1.00 . A A . 25 ALA HB3 1 1 9 3640 1 1 25 ALA N N -8.625 11.642 -1.240 1.00 . A A . 25 ALA N 1 1 9 3641 1 1 25 ALA O O -8.548 13.638 0.933 1.00 . A A . 25 ALA O 1 1 9 3642 1 1 26 SER C C -10.216 16.372 0.977 1.00 . A A . 26 SER C 1 1 9 3643 1 1 26 SER CA C -9.300 15.991 -0.188 1.00 . A A . 26 SER CA 1 1 9 3644 1 1 26 SER CB C -9.369 17.018 -1.323 1.00 . A A . 26 SER CB 1 1 9 3645 1 1 26 SER H H -10.213 14.607 -1.478 1.00 . A A . 26 SER H 1 1 9 3646 1 1 26 SER HA H -8.285 15.916 0.169 1.00 . A A . 26 SER HA 1 1 9 3647 1 1 26 SER HB2 H -10.389 17.102 -1.666 1.00 . A A . 26 SER HB2 1 1 9 3648 1 1 26 SER HB3 H -9.027 17.977 -0.964 1.00 . A A . 26 SER HB3 1 1 9 3649 1 1 26 SER HG H -8.636 15.658 -2.518 1.00 . A A . 26 SER HG 1 1 9 3650 1 1 26 SER N N -9.663 14.688 -0.672 1.00 . A A . 26 SER N 1 1 9 3651 1 1 26 SER O O -11.435 16.547 0.796 1.00 . A A . 26 SER O 1 1 9 3652 1 1 26 SER OG O -8.541 16.615 -2.423 1.00 . A A . 26 SER OG 1 1 9 3653 1 1 27 ARG C C -10.859 18.210 3.439 1.00 . A A . 27 ARG C 1 1 9 3654 1 1 27 ARG CA C -10.432 16.751 3.349 1.00 . A A . 27 ARG CA 1 1 9 3655 1 1 27 ARG CB C -9.767 16.252 4.657 1.00 . A A . 27 ARG CB 1 1 9 3656 1 1 27 ARG CD C -7.855 16.279 6.284 1.00 . A A . 27 ARG CD 1 1 9 3657 1 1 27 ARG CG C -8.393 16.828 4.970 1.00 . A A . 27 ARG CG 1 1 9 3658 1 1 27 ARG CZ C -5.796 16.506 7.677 1.00 . A A . 27 ARG CZ 1 1 9 3659 1 1 27 ARG H H -8.674 16.348 2.248 1.00 . A A . 27 ARG H 1 1 9 3660 1 1 27 ARG HA H -11.343 16.188 3.207 1.00 . A A . 27 ARG HA 1 1 9 3661 1 1 27 ARG HB2 H -10.417 16.494 5.485 1.00 . A A . 27 ARG HB2 1 1 9 3662 1 1 27 ARG HB3 H -9.676 15.178 4.598 1.00 . A A . 27 ARG HB3 1 1 9 3663 1 1 27 ARG HD2 H -8.514 16.580 7.084 1.00 . A A . 27 ARG HD2 1 1 9 3664 1 1 27 ARG HD3 H -7.828 15.200 6.227 1.00 . A A . 27 ARG HD3 1 1 9 3665 1 1 27 ARG HE H -6.109 17.328 5.864 1.00 . A A . 27 ARG HE 1 1 9 3666 1 1 27 ARG HG2 H -7.709 16.581 4.172 1.00 . A A . 27 ARG HG2 1 1 9 3667 1 1 27 ARG HG3 H -8.482 17.901 5.049 1.00 . A A . 27 ARG HG3 1 1 9 3668 1 1 27 ARG HH11 H -7.273 15.447 8.632 1.00 . A A . 27 ARG HH11 1 1 9 3669 1 1 27 ARG HH12 H -5.819 15.591 9.507 1.00 . A A . 27 ARG HH12 1 1 9 3670 1 1 27 ARG HH21 H -4.098 17.515 7.076 1.00 . A A . 27 ARG HH21 1 1 9 3671 1 1 27 ARG HH22 H -3.976 16.787 8.596 1.00 . A A . 27 ARG HH22 1 1 9 3672 1 1 27 ARG N N -9.645 16.469 2.169 1.00 . A A . 27 ARG N 1 1 9 3673 1 1 27 ARG NE N -6.505 16.774 6.574 1.00 . A A . 27 ARG NE 1 1 9 3674 1 1 27 ARG NH1 N -6.334 15.798 8.670 1.00 . A A . 27 ARG NH1 1 1 9 3675 1 1 27 ARG NH2 N -4.547 16.966 7.791 1.00 . A A . 27 ARG NH2 1 1 9 3676 1 1 27 ARG O O -10.066 19.106 3.758 1.00 . A A . 27 ARG O 1 1 9 3677 1 1 28 GLY C C -13.130 19.949 4.637 1.00 . A A . 28 GLY C 1 1 9 3678 1 1 28 GLY CA C -12.670 19.746 3.227 1.00 . A A . 28 GLY CA 1 1 9 3679 1 1 28 GLY H H -12.644 17.702 2.752 1.00 . A A . 28 GLY H 1 1 9 3680 1 1 28 GLY HA2 H -11.921 20.483 2.979 1.00 . A A . 28 GLY HA2 1 1 9 3681 1 1 28 GLY HA3 H -13.514 19.839 2.561 1.00 . A A . 28 GLY HA3 1 1 9 3682 1 1 28 GLY N N -12.102 18.440 3.102 1.00 . A A . 28 GLY N 1 1 9 3683 1 1 28 GLY O O -12.971 21.017 5.212 1.00 . A A . 28 GLY O 1 1 9 3684 1 1 29 THR C C -13.001 18.207 7.365 1.00 . A A . 29 THR C 1 1 9 3685 1 1 29 THR CA C -14.098 18.903 6.560 1.00 . A A . 29 THR CA 1 1 9 3686 1 1 29 THR CB C -15.424 18.136 6.696 1.00 . A A . 29 THR CB 1 1 9 3687 1 1 29 THR CG2 C -16.014 18.303 8.093 1.00 . A A . 29 THR CG2 1 1 9 3688 1 1 29 THR H H -13.786 18.072 4.691 1.00 . A A . 29 THR H 1 1 9 3689 1 1 29 THR HA H -14.226 19.923 6.892 1.00 . A A . 29 THR HA 1 1 9 3690 1 1 29 THR HB H -15.239 17.089 6.505 1.00 . A A . 29 THR HB 1 1 9 3691 1 1 29 THR HG1 H -15.867 19.172 5.080 1.00 . A A . 29 THR HG1 1 1 9 3692 1 1 29 THR HG21 H -16.210 19.349 8.278 1.00 . A A . 29 THR HG21 1 1 9 3693 1 1 29 THR HG22 H -15.312 17.935 8.826 1.00 . A A . 29 THR HG22 1 1 9 3694 1 1 29 THR HG23 H -16.935 17.745 8.164 1.00 . A A . 29 THR HG23 1 1 9 3695 1 1 29 THR N N -13.678 18.904 5.200 1.00 . A A . 29 THR N 1 1 9 3696 1 1 29 THR O O -12.674 17.040 7.100 1.00 . A A . 29 THR O 1 1 9 3697 1 1 29 THR OG1 O -16.363 18.646 5.720 1.00 . A A . 29 THR OG1 1 1 9 3698 1 1 30 ASN C C -11.570 18.545 10.546 1.00 . A A . 30 ASN C 1 1 9 3699 1 1 30 ASN CA C -11.309 18.366 9.060 1.00 . A A . 30 ASN CA 1 1 9 3700 1 1 30 ASN CB C -9.977 19.038 8.656 1.00 . A A . 30 ASN CB 1 1 9 3701 1 1 30 ASN CG C -8.764 18.460 9.380 1.00 . A A . 30 ASN CG 1 1 9 3702 1 1 30 ASN H H -12.724 19.816 8.504 1.00 . A A . 30 ASN H 1 1 9 3703 1 1 30 ASN HA H -11.245 17.311 8.840 1.00 . A A . 30 ASN HA 1 1 9 3704 1 1 30 ASN HB2 H -9.826 18.912 7.594 1.00 . A A . 30 ASN HB2 1 1 9 3705 1 1 30 ASN HB3 H -10.038 20.092 8.879 1.00 . A A . 30 ASN HB3 1 1 9 3706 1 1 30 ASN HD21 H -7.798 20.179 9.228 1.00 . A A . 30 ASN HD21 1 1 9 3707 1 1 30 ASN HD22 H -6.951 18.902 10.017 1.00 . A A . 30 ASN HD22 1 1 9 3708 1 1 30 ASN N N -12.409 18.910 8.290 1.00 . A A . 30 ASN N 1 1 9 3709 1 1 30 ASN ND2 N -7.744 19.257 9.558 1.00 . A A . 30 ASN ND2 1 1 9 3710 1 1 30 ASN O O -11.492 19.661 11.055 1.00 . A A . 30 ASN O 1 1 9 3711 1 1 30 ASN OD1 O -8.747 17.297 9.753 1.00 . A A . 30 ASN OD1 1 1 9 3712 1 1 31 PRO C C -10.915 17.796 13.440 1.00 . A A . 31 PRO C 1 1 9 3713 1 1 31 PRO CA C -12.203 17.472 12.687 1.00 . A A . 31 PRO CA 1 1 9 3714 1 1 31 PRO CB C -12.658 16.037 12.998 1.00 . A A . 31 PRO CB 1 1 9 3715 1 1 31 PRO CD C -12.311 16.150 10.650 1.00 . A A . 31 PRO CD 1 1 9 3716 1 1 31 PRO CG C -13.164 15.513 11.703 1.00 . A A . 31 PRO CG 1 1 9 3717 1 1 31 PRO HA H -12.972 18.176 12.968 1.00 . A A . 31 PRO HA 1 1 9 3718 1 1 31 PRO HB2 H -11.816 15.464 13.357 1.00 . A A . 31 PRO HB2 1 1 9 3719 1 1 31 PRO HB3 H -13.435 16.053 13.749 1.00 . A A . 31 PRO HB3 1 1 9 3720 1 1 31 PRO HD2 H -11.421 15.564 10.475 1.00 . A A . 31 PRO HD2 1 1 9 3721 1 1 31 PRO HD3 H -12.874 16.266 9.735 1.00 . A A . 31 PRO HD3 1 1 9 3722 1 1 31 PRO HG2 H -13.061 14.438 11.676 1.00 . A A . 31 PRO HG2 1 1 9 3723 1 1 31 PRO HG3 H -14.198 15.795 11.570 1.00 . A A . 31 PRO HG3 1 1 9 3724 1 1 31 PRO N N -11.984 17.464 11.235 1.00 . A A . 31 PRO N 1 1 9 3725 1 1 31 PRO O O -10.044 16.911 13.560 1.00 . A A . 31 PRO O 1 1 9 3726 1 1 31 PRO OXT O -10.754 18.950 13.911 1.00 . A A . 31 PRO OXT 1 1 10 3727 1 1 1 ASP C C 2.475 15.802 1.815 1.00 . A A . 1 ASP C 1 1 10 3728 1 1 1 ASP CA C 3.567 16.224 2.760 1.00 . A A . 1 ASP CA 1 1 10 3729 1 1 1 ASP CB C 4.262 14.984 3.340 1.00 . A A . 1 ASP CB 1 1 10 3730 1 1 1 ASP CG C 4.724 14.013 2.269 1.00 . A A . 1 ASP CG 1 1 10 3731 1 1 1 ASP H1 H 2.298 16.552 4.367 1.00 . A A . 1 ASP H1 1 1 10 3732 1 1 1 ASP H2 H 2.590 17.915 3.409 1.00 . A A . 1 ASP H2 1 1 10 3733 1 1 1 ASP H3 H 3.776 17.373 4.467 1.00 . A A . 1 ASP H3 1 1 10 3734 1 1 1 ASP HA H 4.291 16.807 2.213 1.00 . A A . 1 ASP HA 1 1 10 3735 1 1 1 ASP HB2 H 5.126 15.296 3.908 1.00 . A A . 1 ASP HB2 1 1 10 3736 1 1 1 ASP HB3 H 3.574 14.470 3.995 1.00 . A A . 1 ASP HB3 1 1 10 3737 1 1 1 ASP N N 3.020 17.064 3.824 1.00 . A A . 1 ASP N 1 1 10 3738 1 1 1 ASP O O 1.411 15.340 2.253 1.00 . A A . 1 ASP O 1 1 10 3739 1 1 1 ASP OD1 O 4.093 12.946 2.104 1.00 . A A . 1 ASP OD1 1 1 10 3740 1 1 1 ASP OD2 O 5.720 14.293 1.577 1.00 . A A . 1 ASP OD2 1 1 10 3741 1 1 2 VAL C C 2.079 14.093 -0.784 1.00 . A A . 2 VAL C 1 1 10 3742 1 1 2 VAL CA C 1.765 15.545 -0.468 1.00 . A A . 2 VAL CA 1 1 10 3743 1 1 2 VAL CB C 1.812 16.408 -1.769 1.00 . A A . 2 VAL CB 1 1 10 3744 1 1 2 VAL CG1 C 0.756 15.954 -2.768 1.00 . A A . 2 VAL CG1 1 1 10 3745 1 1 2 VAL CG2 C 1.626 17.883 -1.446 1.00 . A A . 2 VAL CG2 1 1 10 3746 1 1 2 VAL H H 3.539 16.403 0.229 1.00 . A A . 2 VAL H 1 1 10 3747 1 1 2 VAL HA H 0.782 15.600 -0.027 1.00 . A A . 2 VAL HA 1 1 10 3748 1 1 2 VAL HB H 2.783 16.277 -2.224 1.00 . A A . 2 VAL HB 1 1 10 3749 1 1 2 VAL HG11 H 0.934 14.922 -3.030 1.00 . A A . 2 VAL HG11 1 1 10 3750 1 1 2 VAL HG12 H 0.811 16.568 -3.655 1.00 . A A . 2 VAL HG12 1 1 10 3751 1 1 2 VAL HG13 H -0.224 16.050 -2.325 1.00 . A A . 2 VAL HG13 1 1 10 3752 1 1 2 VAL HG21 H 0.676 18.028 -0.953 1.00 . A A . 2 VAL HG21 1 1 10 3753 1 1 2 VAL HG22 H 1.646 18.456 -2.362 1.00 . A A . 2 VAL HG22 1 1 10 3754 1 1 2 VAL HG23 H 2.424 18.214 -0.799 1.00 . A A . 2 VAL HG23 1 1 10 3755 1 1 2 VAL N N 2.703 15.982 0.528 1.00 . A A . 2 VAL N 1 1 10 3756 1 1 2 VAL O O 2.885 13.785 -1.666 1.00 . A A . 2 VAL O 1 1 10 3757 1 1 3 SER C C 1.089 11.238 -1.349 1.00 . A A . 3 SER C 1 1 10 3758 1 1 3 SER CA C 1.769 11.816 -0.101 1.00 . A A . 3 SER CA 1 1 10 3759 1 1 3 SER CB C 1.242 11.143 1.155 1.00 . A A . 3 SER CB 1 1 10 3760 1 1 3 SER H H 0.917 13.544 0.708 1.00 . A A . 3 SER H 1 1 10 3761 1 1 3 SER HA H 2.834 11.659 -0.153 1.00 . A A . 3 SER HA 1 1 10 3762 1 1 3 SER HB2 H 0.164 11.193 1.156 1.00 . A A . 3 SER HB2 1 1 10 3763 1 1 3 SER HB3 H 1.558 10.111 1.181 1.00 . A A . 3 SER HB3 1 1 10 3764 1 1 3 SER HG H 2.577 12.242 2.104 1.00 . A A . 3 SER HG 1 1 10 3765 1 1 3 SER N N 1.521 13.224 0.006 1.00 . A A . 3 SER N 1 1 10 3766 1 1 3 SER O O -0.139 11.344 -1.488 1.00 . A A . 3 SER O 1 1 10 3767 1 1 3 SER OG O 1.733 11.806 2.320 1.00 . A A . 3 SER OG 1 1 10 3768 1 1 4 PRO C C 0.400 8.894 -3.152 1.00 . A A . 4 PRO C 1 1 10 3769 1 1 4 PRO CA C 1.344 10.033 -3.492 1.00 . A A . 4 PRO CA 1 1 10 3770 1 1 4 PRO CB C 2.585 9.475 -4.203 1.00 . A A . 4 PRO CB 1 1 10 3771 1 1 4 PRO CD C 3.348 10.551 -2.221 1.00 . A A . 4 PRO CD 1 1 10 3772 1 1 4 PRO CG C 3.725 10.234 -3.633 1.00 . A A . 4 PRO CG 1 1 10 3773 1 1 4 PRO HA H 0.843 10.748 -4.125 1.00 . A A . 4 PRO HA 1 1 10 3774 1 1 4 PRO HB2 H 2.670 8.419 -3.993 1.00 . A A . 4 PRO HB2 1 1 10 3775 1 1 4 PRO HB3 H 2.499 9.625 -5.269 1.00 . A A . 4 PRO HB3 1 1 10 3776 1 1 4 PRO HD2 H 3.660 9.757 -1.560 1.00 . A A . 4 PRO HD2 1 1 10 3777 1 1 4 PRO HD3 H 3.788 11.492 -1.927 1.00 . A A . 4 PRO HD3 1 1 10 3778 1 1 4 PRO HG2 H 4.615 9.622 -3.653 1.00 . A A . 4 PRO HG2 1 1 10 3779 1 1 4 PRO HG3 H 3.882 11.143 -4.194 1.00 . A A . 4 PRO HG3 1 1 10 3780 1 1 4 PRO N N 1.877 10.650 -2.281 1.00 . A A . 4 PRO N 1 1 10 3781 1 1 4 PRO O O 0.670 8.098 -2.247 1.00 . A A . 4 PRO O 1 1 10 3782 1 1 5 CYS C C -1.278 6.579 -4.382 1.00 . A A . 5 CYS C 1 1 10 3783 1 1 5 CYS CA C -1.669 7.818 -3.642 1.00 . A A . 5 CYS CA 1 1 10 3784 1 1 5 CYS CB C -3.014 8.282 -4.174 1.00 . A A . 5 CYS CB 1 1 10 3785 1 1 5 CYS H H -0.836 9.480 -4.567 1.00 . A A . 5 CYS H 1 1 10 3786 1 1 5 CYS HA H -1.763 7.614 -2.586 1.00 . A A . 5 CYS HA 1 1 10 3787 1 1 5 CYS HB2 H -3.262 9.257 -3.788 1.00 . A A . 5 CYS HB2 1 1 10 3788 1 1 5 CYS HB3 H -2.909 8.325 -5.250 1.00 . A A . 5 CYS HB3 1 1 10 3789 1 1 5 CYS N N -0.680 8.825 -3.855 1.00 . A A . 5 CYS N 1 1 10 3790 1 1 5 CYS O O -1.100 6.608 -5.610 1.00 . A A . 5 CYS O 1 1 10 3791 1 1 5 CYS SG S -4.398 7.146 -3.817 1.00 . A A . 5 CYS SG 1 1 10 3792 1 1 6 PHE C C -1.782 3.246 -3.788 1.00 . A A . 6 PHE C 1 1 10 3793 1 1 6 PHE CA C -0.832 4.283 -4.319 1.00 . A A . 6 PHE CA 1 1 10 3794 1 1 6 PHE CB C 0.623 3.851 -4.151 1.00 . A A . 6 PHE CB 1 1 10 3795 1 1 6 PHE CD1 C 1.138 1.467 -4.740 1.00 . A A . 6 PHE CD1 1 1 10 3796 1 1 6 PHE CD2 C 1.138 3.109 -6.459 1.00 . A A . 6 PHE CD2 1 1 10 3797 1 1 6 PHE CE1 C 1.434 0.495 -5.673 1.00 . A A . 6 PHE CE1 1 1 10 3798 1 1 6 PHE CE2 C 1.437 2.155 -7.391 1.00 . A A . 6 PHE CE2 1 1 10 3799 1 1 6 PHE CG C 0.988 2.784 -5.128 1.00 . A A . 6 PHE CG 1 1 10 3800 1 1 6 PHE CZ C 1.585 0.839 -7.004 1.00 . A A . 6 PHE CZ 1 1 10 3801 1 1 6 PHE H H -1.161 5.542 -2.694 1.00 . A A . 6 PHE H 1 1 10 3802 1 1 6 PHE HA H -1.040 4.426 -5.369 1.00 . A A . 6 PHE HA 1 1 10 3803 1 1 6 PHE HB2 H 1.272 4.699 -4.310 1.00 . A A . 6 PHE HB2 1 1 10 3804 1 1 6 PHE HB3 H 0.772 3.462 -3.154 1.00 . A A . 6 PHE HB3 1 1 10 3805 1 1 6 PHE HD1 H 1.022 1.200 -3.700 1.00 . A A . 6 PHE HD1 1 1 10 3806 1 1 6 PHE HD2 H 1.023 4.139 -6.765 1.00 . A A . 6 PHE HD2 1 1 10 3807 1 1 6 PHE HE1 H 1.550 -0.532 -5.361 1.00 . A A . 6 PHE HE1 1 1 10 3808 1 1 6 PHE HE2 H 1.544 2.458 -8.421 1.00 . A A . 6 PHE HE2 1 1 10 3809 1 1 6 PHE HZ H 1.817 0.081 -7.736 1.00 . A A . 6 PHE HZ 1 1 10 3810 1 1 6 PHE N N -1.101 5.511 -3.675 1.00 . A A . 6 PHE N 1 1 10 3811 1 1 6 PHE O O -1.966 3.127 -2.578 1.00 . A A . 6 PHE O 1 1 10 3812 1 1 7 CYS C C -2.862 0.180 -4.687 1.00 . A A . 7 CYS C 1 1 10 3813 1 1 7 CYS CA C -3.359 1.549 -4.300 1.00 . A A . 7 CYS CA 1 1 10 3814 1 1 7 CYS CB C -4.698 1.826 -4.954 1.00 . A A . 7 CYS CB 1 1 10 3815 1 1 7 CYS H H -2.235 2.682 -5.624 1.00 . A A . 7 CYS H 1 1 10 3816 1 1 7 CYS HA H -3.486 1.578 -3.230 1.00 . A A . 7 CYS HA 1 1 10 3817 1 1 7 CYS HB2 H -4.580 1.727 -6.020 1.00 . A A . 7 CYS HB2 1 1 10 3818 1 1 7 CYS HB3 H -5.394 1.073 -4.618 1.00 . A A . 7 CYS HB3 1 1 10 3819 1 1 7 CYS N N -2.408 2.543 -4.669 1.00 . A A . 7 CYS N 1 1 10 3820 1 1 7 CYS O O -2.179 0.019 -5.702 1.00 . A A . 7 CYS O 1 1 10 3821 1 1 7 CYS SG S -5.417 3.463 -4.576 1.00 . A A . 7 CYS SG 1 1 10 3822 1 1 8 VAL C C -4.004 -3.018 -3.708 1.00 . A A . 8 VAL C 1 1 10 3823 1 1 8 VAL CA C -2.796 -2.173 -4.073 1.00 . A A . 8 VAL CA 1 1 10 3824 1 1 8 VAL CB C -1.611 -2.606 -3.138 1.00 . A A . 8 VAL CB 1 1 10 3825 1 1 8 VAL CG1 C -1.072 -3.980 -3.515 1.00 . A A . 8 VAL CG1 1 1 10 3826 1 1 8 VAL CG2 C -0.487 -1.578 -3.095 1.00 . A A . 8 VAL CG2 1 1 10 3827 1 1 8 VAL H H -3.737 -0.575 -3.086 1.00 . A A . 8 VAL H 1 1 10 3828 1 1 8 VAL HA H -2.528 -2.325 -5.108 1.00 . A A . 8 VAL HA 1 1 10 3829 1 1 8 VAL HB H -2.033 -2.703 -2.151 1.00 . A A . 8 VAL HB 1 1 10 3830 1 1 8 VAL HG11 H -0.694 -3.950 -4.526 1.00 . A A . 8 VAL HG11 1 1 10 3831 1 1 8 VAL HG12 H -1.868 -4.707 -3.452 1.00 . A A . 8 VAL HG12 1 1 10 3832 1 1 8 VAL HG13 H -0.276 -4.255 -2.840 1.00 . A A . 8 VAL HG13 1 1 10 3833 1 1 8 VAL HG21 H 0.294 -1.924 -2.435 1.00 . A A . 8 VAL HG21 1 1 10 3834 1 1 8 VAL HG22 H -0.874 -0.636 -2.737 1.00 . A A . 8 VAL HG22 1 1 10 3835 1 1 8 VAL HG23 H -0.086 -1.446 -4.090 1.00 . A A . 8 VAL HG23 1 1 10 3836 1 1 8 VAL N N -3.182 -0.787 -3.869 1.00 . A A . 8 VAL N 1 1 10 3837 1 1 8 VAL O O -4.781 -2.639 -2.814 1.00 . A A . 8 VAL O 1 1 10 3838 1 1 9 GLU C C -4.913 -5.941 -2.970 1.00 . A A . 9 GLU C 1 1 10 3839 1 1 9 GLU CA C -5.296 -4.975 -4.077 1.00 . A A . 9 GLU CA 1 1 10 3840 1 1 9 GLU CB C -5.782 -5.705 -5.328 1.00 . A A . 9 GLU CB 1 1 10 3841 1 1 9 GLU CD C -7.622 -7.052 -6.385 1.00 . A A . 9 GLU CD 1 1 10 3842 1 1 9 GLU CG C -7.073 -6.471 -5.114 1.00 . A A . 9 GLU CG 1 1 10 3843 1 1 9 GLU H H -3.536 -4.362 -5.064 1.00 . A A . 9 GLU H 1 1 10 3844 1 1 9 GLU HA H -6.098 -4.361 -3.699 1.00 . A A . 9 GLU HA 1 1 10 3845 1 1 9 GLU HB2 H -5.941 -4.985 -6.117 1.00 . A A . 9 GLU HB2 1 1 10 3846 1 1 9 GLU HB3 H -5.021 -6.406 -5.636 1.00 . A A . 9 GLU HB3 1 1 10 3847 1 1 9 GLU HG2 H -6.885 -7.278 -4.423 1.00 . A A . 9 GLU HG2 1 1 10 3848 1 1 9 GLU HG3 H -7.807 -5.803 -4.688 1.00 . A A . 9 GLU HG3 1 1 10 3849 1 1 9 GLU N N -4.185 -4.120 -4.371 1.00 . A A . 9 GLU N 1 1 10 3850 1 1 9 GLU O O -4.124 -6.881 -3.180 1.00 . A A . 9 GLU O 1 1 10 3851 1 1 9 GLU OE1 O -8.324 -6.338 -7.124 1.00 . A A . 9 GLU OE1 1 1 10 3852 1 1 9 GLU OE2 O -7.396 -8.246 -6.651 1.00 . A A . 9 GLU OE2 1 1 10 3853 1 1 10 ASP C C -5.737 -7.851 -0.770 1.00 . A A . 10 ASP C 1 1 10 3854 1 1 10 ASP CA C -5.172 -6.487 -0.613 1.00 . A A . 10 ASP CA 1 1 10 3855 1 1 10 ASP CB C -5.705 -5.831 0.671 1.00 . A A . 10 ASP CB 1 1 10 3856 1 1 10 ASP CG C -5.650 -6.761 1.875 1.00 . A A . 10 ASP CG 1 1 10 3857 1 1 10 ASP H H -6.063 -4.933 -1.698 1.00 . A A . 10 ASP H 1 1 10 3858 1 1 10 ASP HA H -4.103 -6.596 -0.519 1.00 . A A . 10 ASP HA 1 1 10 3859 1 1 10 ASP HB2 H -5.128 -4.947 0.896 1.00 . A A . 10 ASP HB2 1 1 10 3860 1 1 10 ASP HB3 H -6.736 -5.552 0.513 1.00 . A A . 10 ASP HB3 1 1 10 3861 1 1 10 ASP N N -5.439 -5.684 -1.788 1.00 . A A . 10 ASP N 1 1 10 3862 1 1 10 ASP O O -6.935 -8.017 -0.977 1.00 . A A . 10 ASP O 1 1 10 3863 1 1 10 ASP OD1 O -6.686 -6.951 2.530 1.00 . A A . 10 ASP OD1 1 1 10 3864 1 1 10 ASP OD2 O -4.585 -7.361 2.163 1.00 . A A . 10 ASP OD2 1 1 10 3865 1 1 11 GLU C C -6.086 -10.650 0.342 1.00 . A A . 11 GLU C 1 1 10 3866 1 1 11 GLU CA C -5.177 -10.212 -0.802 1.00 . A A . 11 GLU CA 1 1 10 3867 1 1 11 GLU CB C -3.844 -11.011 -0.834 1.00 . A A . 11 GLU CB 1 1 10 3868 1 1 11 GLU CD C -4.436 -13.311 0.151 1.00 . A A . 11 GLU CD 1 1 10 3869 1 1 11 GLU CG C -3.927 -12.535 -1.048 1.00 . A A . 11 GLU CG 1 1 10 3870 1 1 11 GLU H H -3.937 -8.518 -0.518 1.00 . A A . 11 GLU H 1 1 10 3871 1 1 11 GLU HA H -5.693 -10.362 -1.738 1.00 . A A . 11 GLU HA 1 1 10 3872 1 1 11 GLU HB2 H -3.230 -10.610 -1.627 1.00 . A A . 11 GLU HB2 1 1 10 3873 1 1 11 GLU HB3 H -3.335 -10.832 0.102 1.00 . A A . 11 GLU HB3 1 1 10 3874 1 1 11 GLU HG2 H -4.593 -12.723 -1.876 1.00 . A A . 11 GLU HG2 1 1 10 3875 1 1 11 GLU HG3 H -2.944 -12.899 -1.306 1.00 . A A . 11 GLU HG3 1 1 10 3876 1 1 11 GLU N N -4.863 -8.805 -0.678 1.00 . A A . 11 GLU N 1 1 10 3877 1 1 11 GLU O O -7.002 -11.437 0.143 1.00 . A A . 11 GLU O 1 1 10 3878 1 1 11 GLU OE1 O -3.765 -13.307 1.206 1.00 . A A . 11 GLU OE1 1 1 10 3879 1 1 11 GLU OE2 O -5.498 -13.960 0.056 1.00 . A A . 11 GLU OE2 1 1 10 3880 1 1 12 THR C C -8.090 -10.188 2.572 1.00 . A A . 12 THR C 1 1 10 3881 1 1 12 THR CA C -6.580 -10.476 2.701 1.00 . A A . 12 THR CA 1 1 10 3882 1 1 12 THR CB C -6.017 -9.707 3.898 1.00 . A A . 12 THR CB 1 1 10 3883 1 1 12 THR CG2 C -6.297 -10.449 5.197 1.00 . A A . 12 THR CG2 1 1 10 3884 1 1 12 THR H H -5.217 -9.345 1.565 1.00 . A A . 12 THR H 1 1 10 3885 1 1 12 THR HA H -6.422 -11.532 2.864 1.00 . A A . 12 THR HA 1 1 10 3886 1 1 12 THR HB H -6.479 -8.731 3.929 1.00 . A A . 12 THR HB 1 1 10 3887 1 1 12 THR HG1 H -4.465 -8.687 3.337 1.00 . A A . 12 THR HG1 1 1 10 3888 1 1 12 THR HG21 H -5.889 -9.889 6.025 1.00 . A A . 12 THR HG21 1 1 10 3889 1 1 12 THR HG22 H -5.836 -11.425 5.162 1.00 . A A . 12 THR HG22 1 1 10 3890 1 1 12 THR HG23 H -7.363 -10.558 5.328 1.00 . A A . 12 THR HG23 1 1 10 3891 1 1 12 THR N N -5.869 -10.078 1.501 1.00 . A A . 12 THR N 1 1 10 3892 1 1 12 THR O O -8.925 -11.053 2.824 1.00 . A A . 12 THR O 1 1 10 3893 1 1 12 THR OG1 O -4.589 -9.569 3.728 1.00 . A A . 12 THR OG1 1 1 10 3894 1 1 13 SER C C -10.321 -8.818 0.627 1.00 . A A . 13 SER C 1 1 10 3895 1 1 13 SER CA C -9.798 -8.571 2.036 1.00 . A A . 13 SER CA 1 1 10 3896 1 1 13 SER CB C -9.895 -7.093 2.342 1.00 . A A . 13 SER CB 1 1 10 3897 1 1 13 SER H H -7.710 -8.313 2.009 1.00 . A A . 13 SER H 1 1 10 3898 1 1 13 SER HA H -10.406 -9.100 2.748 1.00 . A A . 13 SER HA 1 1 10 3899 1 1 13 SER HB2 H -9.478 -6.549 1.510 1.00 . A A . 13 SER HB2 1 1 10 3900 1 1 13 SER HB3 H -10.930 -6.815 2.478 1.00 . A A . 13 SER HB3 1 1 10 3901 1 1 13 SER HG H -8.235 -6.752 3.255 1.00 . A A . 13 SER HG 1 1 10 3902 1 1 13 SER N N -8.418 -8.981 2.169 1.00 . A A . 13 SER N 1 1 10 3903 1 1 13 SER O O -11.531 -8.869 0.404 1.00 . A A . 13 SER O 1 1 10 3904 1 1 13 SER OG O -9.170 -6.782 3.518 1.00 . A A . 13 SER OG 1 1 10 3905 1 1 14 GLY C C -10.312 -7.748 -2.193 1.00 . A A . 14 GLY C 1 1 10 3906 1 1 14 GLY CA C -9.801 -9.075 -1.698 1.00 . A A . 14 GLY CA 1 1 10 3907 1 1 14 GLY H H -8.456 -8.967 -0.094 1.00 . A A . 14 GLY H 1 1 10 3908 1 1 14 GLY HA2 H -8.950 -9.383 -2.287 1.00 . A A . 14 GLY HA2 1 1 10 3909 1 1 14 GLY HA3 H -10.592 -9.803 -1.782 1.00 . A A . 14 GLY HA3 1 1 10 3910 1 1 14 GLY N N -9.411 -8.953 -0.317 1.00 . A A . 14 GLY N 1 1 10 3911 1 1 14 GLY O O -11.229 -7.685 -3.008 1.00 . A A . 14 GLY O 1 1 10 3912 1 1 15 ALA C C -8.984 -4.406 -2.035 1.00 . A A . 15 ALA C 1 1 10 3913 1 1 15 ALA CA C -10.166 -5.341 -1.976 1.00 . A A . 15 ALA CA 1 1 10 3914 1 1 15 ALA CB C -11.160 -4.866 -0.930 1.00 . A A . 15 ALA CB 1 1 10 3915 1 1 15 ALA H H -8.950 -6.816 -1.083 1.00 . A A . 15 ALA H 1 1 10 3916 1 1 15 ALA HA H -10.661 -5.354 -2.937 1.00 . A A . 15 ALA HA 1 1 10 3917 1 1 15 ALA HB1 H -10.678 -4.854 0.036 1.00 . A A . 15 ALA HB1 1 1 10 3918 1 1 15 ALA HB2 H -12.006 -5.537 -0.902 1.00 . A A . 15 ALA HB2 1 1 10 3919 1 1 15 ALA HB3 H -11.497 -3.869 -1.175 1.00 . A A . 15 ALA HB3 1 1 10 3920 1 1 15 ALA N N -9.727 -6.685 -1.673 1.00 . A A . 15 ALA N 1 1 10 3921 1 1 15 ALA O O -8.003 -4.579 -1.306 1.00 . A A . 15 ALA O 1 1 10 3922 1 1 16 LYS C C -7.954 -1.458 -1.965 1.00 . A A . 16 LYS C 1 1 10 3923 1 1 16 LYS CA C -8.019 -2.489 -3.081 1.00 . A A . 16 LYS CA 1 1 10 3924 1 1 16 LYS CB C -8.134 -1.853 -4.459 1.00 . A A . 16 LYS CB 1 1 10 3925 1 1 16 LYS CD C -7.093 -0.432 -6.252 1.00 . A A . 16 LYS CD 1 1 10 3926 1 1 16 LYS CE C -8.365 0.346 -6.562 1.00 . A A . 16 LYS CE 1 1 10 3927 1 1 16 LYS CG C -7.012 -0.901 -4.801 1.00 . A A . 16 LYS CG 1 1 10 3928 1 1 16 LYS H H -9.889 -3.326 -3.414 1.00 . A A . 16 LYS H 1 1 10 3929 1 1 16 LYS HA H -7.084 -3.018 -3.031 1.00 . A A . 16 LYS HA 1 1 10 3930 1 1 16 LYS HB2 H -8.140 -2.639 -5.198 1.00 . A A . 16 LYS HB2 1 1 10 3931 1 1 16 LYS HB3 H -9.068 -1.315 -4.508 1.00 . A A . 16 LYS HB3 1 1 10 3932 1 1 16 LYS HD2 H -6.245 0.203 -6.460 1.00 . A A . 16 LYS HD2 1 1 10 3933 1 1 16 LYS HD3 H -7.046 -1.299 -6.892 1.00 . A A . 16 LYS HD3 1 1 10 3934 1 1 16 LYS HE2 H -9.226 -0.252 -6.300 1.00 . A A . 16 LYS HE2 1 1 10 3935 1 1 16 LYS HE3 H -8.362 1.252 -5.976 1.00 . A A . 16 LYS HE3 1 1 10 3936 1 1 16 LYS HG2 H -7.071 -0.059 -4.128 1.00 . A A . 16 LYS HG2 1 1 10 3937 1 1 16 LYS HG3 H -6.073 -1.409 -4.644 1.00 . A A . 16 LYS HG3 1 1 10 3938 1 1 16 LYS HZ1 H -8.519 -0.148 -8.585 1.00 . A A . 16 LYS HZ1 1 1 10 3939 1 1 16 LYS HZ2 H -7.592 1.211 -8.285 1.00 . A A . 16 LYS HZ2 1 1 10 3940 1 1 16 LYS HZ3 H -9.272 1.312 -8.180 1.00 . A A . 16 LYS HZ3 1 1 10 3941 1 1 16 LYS N N -9.071 -3.431 -2.883 1.00 . A A . 16 LYS N 1 1 10 3942 1 1 16 LYS NZ N -8.450 0.703 -7.992 1.00 . A A . 16 LYS NZ 1 1 10 3943 1 1 16 LYS O O -8.897 -0.710 -1.709 1.00 . A A . 16 LYS O 1 1 10 3944 1 1 17 THR C C -5.466 0.401 -0.701 1.00 . A A . 17 THR C 1 1 10 3945 1 1 17 THR CA C -6.567 -0.549 -0.236 1.00 . A A . 17 THR CA 1 1 10 3946 1 1 17 THR CB C -6.113 -1.346 1.003 1.00 . A A . 17 THR CB 1 1 10 3947 1 1 17 THR CG2 C -5.937 -0.438 2.212 1.00 . A A . 17 THR CG2 1 1 10 3948 1 1 17 THR H H -6.112 -2.056 -1.583 1.00 . A A . 17 THR H 1 1 10 3949 1 1 17 THR HA H -7.465 0.006 -0.005 1.00 . A A . 17 THR HA 1 1 10 3950 1 1 17 THR HB H -5.176 -1.830 0.773 1.00 . A A . 17 THR HB 1 1 10 3951 1 1 17 THR HG1 H -7.503 -2.605 0.461 1.00 . A A . 17 THR HG1 1 1 10 3952 1 1 17 THR HG21 H -5.642 -1.027 3.068 1.00 . A A . 17 THR HG21 1 1 10 3953 1 1 17 THR HG22 H -6.870 0.065 2.420 1.00 . A A . 17 THR HG22 1 1 10 3954 1 1 17 THR HG23 H -5.177 0.298 2.000 1.00 . A A . 17 THR HG23 1 1 10 3955 1 1 17 THR N N -6.834 -1.447 -1.308 1.00 . A A . 17 THR N 1 1 10 3956 1 1 17 THR O O -4.537 -0.018 -1.423 1.00 . A A . 17 THR O 1 1 10 3957 1 1 17 THR OG1 O -7.105 -2.348 1.300 1.00 . A A . 17 THR OG1 1 1 10 3958 1 1 18 CYS C C -3.810 3.155 0.344 1.00 . A A . 18 CYS C 1 1 10 3959 1 1 18 CYS CA C -4.608 2.598 -0.803 1.00 . A A . 18 CYS CA 1 1 10 3960 1 1 18 CYS CB C -5.294 3.718 -1.547 1.00 . A A . 18 CYS CB 1 1 10 3961 1 1 18 CYS H H -6.285 1.950 0.241 1.00 . A A . 18 CYS H 1 1 10 3962 1 1 18 CYS HA H -3.931 2.105 -1.478 1.00 . A A . 18 CYS HA 1 1 10 3963 1 1 18 CYS HB2 H -5.811 4.335 -0.832 1.00 . A A . 18 CYS HB2 1 1 10 3964 1 1 18 CYS HB3 H -4.525 4.319 -2.009 1.00 . A A . 18 CYS HB3 1 1 10 3965 1 1 18 CYS N N -5.563 1.643 -0.349 1.00 . A A . 18 CYS N 1 1 10 3966 1 1 18 CYS O O -4.228 3.092 1.507 1.00 . A A . 18 CYS O 1 1 10 3967 1 1 18 CYS SG S -6.449 3.166 -2.854 1.00 . A A . 18 CYS SG 1 1 10 3968 1 1 19 VAL C C -1.314 5.640 0.342 1.00 . A A . 19 VAL C 1 1 10 3969 1 1 19 VAL CA C -1.775 4.290 0.931 1.00 . A A . 19 VAL CA 1 1 10 3970 1 1 19 VAL CB C -0.569 3.341 1.271 1.00 . A A . 19 VAL CB 1 1 10 3971 1 1 19 VAL CG1 C 0.201 2.893 0.029 1.00 . A A . 19 VAL CG1 1 1 10 3972 1 1 19 VAL CG2 C 0.364 3.974 2.289 1.00 . A A . 19 VAL CG2 1 1 10 3973 1 1 19 VAL H H -2.440 3.685 -0.946 1.00 . A A . 19 VAL H 1 1 10 3974 1 1 19 VAL HA H -2.338 4.494 1.831 1.00 . A A . 19 VAL HA 1 1 10 3975 1 1 19 VAL HB H -0.994 2.453 1.713 1.00 . A A . 19 VAL HB 1 1 10 3976 1 1 19 VAL HG11 H 1.019 2.252 0.323 1.00 . A A . 19 VAL HG11 1 1 10 3977 1 1 19 VAL HG12 H 0.588 3.759 -0.486 1.00 . A A . 19 VAL HG12 1 1 10 3978 1 1 19 VAL HG13 H -0.464 2.352 -0.629 1.00 . A A . 19 VAL HG13 1 1 10 3979 1 1 19 VAL HG21 H -0.181 4.163 3.202 1.00 . A A . 19 VAL HG21 1 1 10 3980 1 1 19 VAL HG22 H 0.743 4.906 1.897 1.00 . A A . 19 VAL HG22 1 1 10 3981 1 1 19 VAL HG23 H 1.187 3.305 2.493 1.00 . A A . 19 VAL HG23 1 1 10 3982 1 1 19 VAL N N -2.682 3.683 0.009 1.00 . A A . 19 VAL N 1 1 10 3983 1 1 19 VAL O O -0.840 5.684 -0.802 1.00 . A A . 19 VAL O 1 1 10 3984 1 1 20 PRO C C -3.586 6.325 2.396 1.00 . A A . 20 PRO C 1 1 10 3985 1 1 20 PRO CA C -2.134 6.804 2.404 1.00 . A A . 20 PRO CA 1 1 10 3986 1 1 20 PRO CB C -2.077 8.283 2.798 1.00 . A A . 20 PRO CB 1 1 10 3987 1 1 20 PRO CD C -1.143 8.123 0.616 1.00 . A A . 20 PRO CD 1 1 10 3988 1 1 20 PRO CG C -1.949 9.010 1.517 1.00 . A A . 20 PRO CG 1 1 10 3989 1 1 20 PRO HA H -1.568 6.218 3.113 1.00 . A A . 20 PRO HA 1 1 10 3990 1 1 20 PRO HB2 H -2.990 8.550 3.309 1.00 . A A . 20 PRO HB2 1 1 10 3991 1 1 20 PRO HB3 H -1.232 8.465 3.445 1.00 . A A . 20 PRO HB3 1 1 10 3992 1 1 20 PRO HD2 H -1.420 8.277 -0.415 1.00 . A A . 20 PRO HD2 1 1 10 3993 1 1 20 PRO HD3 H -0.086 8.298 0.756 1.00 . A A . 20 PRO HD3 1 1 10 3994 1 1 20 PRO HG2 H -2.932 9.199 1.118 1.00 . A A . 20 PRO HG2 1 1 10 3995 1 1 20 PRO HG3 H -1.450 9.951 1.676 1.00 . A A . 20 PRO HG3 1 1 10 3996 1 1 20 PRO N N -1.510 6.773 1.064 1.00 . A A . 20 PRO N 1 1 10 3997 1 1 20 PRO O O -4.255 6.324 1.345 1.00 . A A . 20 PRO O 1 1 10 3998 1 1 21 ASP C C -6.442 6.267 3.187 1.00 . A A . 21 ASP C 1 1 10 3999 1 1 21 ASP CA C -5.378 5.363 3.760 1.00 . A A . 21 ASP CA 1 1 10 4000 1 1 21 ASP CB C -5.643 5.133 5.239 1.00 . A A . 21 ASP CB 1 1 10 4001 1 1 21 ASP CG C -7.019 4.572 5.513 1.00 . A A . 21 ASP CG 1 1 10 4002 1 1 21 ASP H H -3.445 5.971 4.336 1.00 . A A . 21 ASP H 1 1 10 4003 1 1 21 ASP HA H -5.425 4.408 3.256 1.00 . A A . 21 ASP HA 1 1 10 4004 1 1 21 ASP HB2 H -4.904 4.460 5.647 1.00 . A A . 21 ASP HB2 1 1 10 4005 1 1 21 ASP HB3 H -5.567 6.093 5.727 1.00 . A A . 21 ASP HB3 1 1 10 4006 1 1 21 ASP N N -4.041 5.907 3.559 1.00 . A A . 21 ASP N 1 1 10 4007 1 1 21 ASP O O -6.566 7.434 3.575 1.00 . A A . 21 ASP O 1 1 10 4008 1 1 21 ASP OD1 O -7.207 3.335 5.428 1.00 . A A . 21 ASP OD1 1 1 10 4009 1 1 21 ASP OD2 O -7.937 5.342 5.857 1.00 . A A . 21 ASP OD2 1 1 10 4010 1 1 22 ASN C C -7.815 7.592 0.755 1.00 . A A . 22 ASN C 1 1 10 4011 1 1 22 ASN CA C -8.252 6.375 1.550 1.00 . A A . 22 ASN CA 1 1 10 4012 1 1 22 ASN CB C -9.431 6.701 2.462 1.00 . A A . 22 ASN CB 1 1 10 4013 1 1 22 ASN CG C -10.238 5.481 2.851 1.00 . A A . 22 ASN CG 1 1 10 4014 1 1 22 ASN H H -7.017 4.779 2.023 1.00 . A A . 22 ASN H 1 1 10 4015 1 1 22 ASN HA H -8.601 5.656 0.824 1.00 . A A . 22 ASN HA 1 1 10 4016 1 1 22 ASN HB2 H -9.075 7.194 3.355 1.00 . A A . 22 ASN HB2 1 1 10 4017 1 1 22 ASN HB3 H -10.062 7.368 1.903 1.00 . A A . 22 ASN HB3 1 1 10 4018 1 1 22 ASN HD21 H -9.225 5.245 4.546 1.00 . A A . 22 ASN HD21 1 1 10 4019 1 1 22 ASN HD22 H -10.469 4.103 4.230 1.00 . A A . 22 ASN HD22 1 1 10 4020 1 1 22 ASN N N -7.180 5.715 2.249 1.00 . A A . 22 ASN N 1 1 10 4021 1 1 22 ASN ND2 N -9.949 4.895 3.973 1.00 . A A . 22 ASN ND2 1 1 10 4022 1 1 22 ASN O O -8.586 8.542 0.612 1.00 . A A . 22 ASN O 1 1 10 4023 1 1 22 ASN OD1 O -11.149 5.080 2.129 1.00 . A A . 22 ASN OD1 1 1 10 4024 1 1 23 CYS C C -7.058 8.668 -1.918 1.00 . A A . 23 CYS C 1 1 10 4025 1 1 23 CYS CA C -6.160 8.635 -0.699 1.00 . A A . 23 CYS CA 1 1 10 4026 1 1 23 CYS CB C -4.695 8.474 -1.095 1.00 . A A . 23 CYS CB 1 1 10 4027 1 1 23 CYS H H -5.930 6.889 0.466 1.00 . A A . 23 CYS H 1 1 10 4028 1 1 23 CYS HA H -6.301 9.570 -0.190 1.00 . A A . 23 CYS HA 1 1 10 4029 1 1 23 CYS HB2 H -4.441 9.225 -1.827 1.00 . A A . 23 CYS HB2 1 1 10 4030 1 1 23 CYS HB3 H -4.084 8.608 -0.217 1.00 . A A . 23 CYS HB3 1 1 10 4031 1 1 23 CYS N N -6.592 7.574 0.215 1.00 . A A . 23 CYS N 1 1 10 4032 1 1 23 CYS O O -7.424 9.733 -2.426 1.00 . A A . 23 CYS O 1 1 10 4033 1 1 23 CYS SG S -4.278 6.851 -1.814 1.00 . A A . 23 CYS SG 1 1 10 4034 1 1 24 ASP C C -9.749 7.151 -2.872 1.00 . A A . 24 ASP C 1 1 10 4035 1 1 24 ASP CA C -8.375 7.372 -3.421 1.00 . A A . 24 ASP CA 1 1 10 4036 1 1 24 ASP CB C -7.995 6.266 -4.407 1.00 . A A . 24 ASP CB 1 1 10 4037 1 1 24 ASP CG C -9.025 6.126 -5.507 1.00 . A A . 24 ASP CG 1 1 10 4038 1 1 24 ASP H H -7.108 6.724 -1.868 1.00 . A A . 24 ASP H 1 1 10 4039 1 1 24 ASP HA H -8.379 8.321 -3.938 1.00 . A A . 24 ASP HA 1 1 10 4040 1 1 24 ASP HB2 H -7.040 6.499 -4.855 1.00 . A A . 24 ASP HB2 1 1 10 4041 1 1 24 ASP HB3 H -7.925 5.327 -3.878 1.00 . A A . 24 ASP HB3 1 1 10 4042 1 1 24 ASP N N -7.455 7.506 -2.338 1.00 . A A . 24 ASP N 1 1 10 4043 1 1 24 ASP O O -10.203 6.024 -2.699 1.00 . A A . 24 ASP O 1 1 10 4044 1 1 24 ASP OD1 O -9.182 7.066 -6.311 1.00 . A A . 24 ASP OD1 1 1 10 4045 1 1 24 ASP OD2 O -9.703 5.075 -5.592 1.00 . A A . 24 ASP OD2 1 1 10 4046 1 1 25 ALA C C -12.197 9.677 -2.139 1.00 . A A . 25 ALA C 1 1 10 4047 1 1 25 ALA CA C -11.689 8.265 -1.969 1.00 . A A . 25 ALA CA 1 1 10 4048 1 1 25 ALA CB C -11.743 7.848 -0.506 1.00 . A A . 25 ALA CB 1 1 10 4049 1 1 25 ALA H H -9.788 9.046 -2.441 1.00 . A A . 25 ALA H 1 1 10 4050 1 1 25 ALA HA H -12.287 7.589 -2.562 1.00 . A A . 25 ALA HA 1 1 10 4051 1 1 25 ALA HB1 H -11.127 8.514 0.079 1.00 . A A . 25 ALA HB1 1 1 10 4052 1 1 25 ALA HB2 H -11.376 6.837 -0.405 1.00 . A A . 25 ALA HB2 1 1 10 4053 1 1 25 ALA HB3 H -12.765 7.900 -0.159 1.00 . A A . 25 ALA HB3 1 1 10 4054 1 1 25 ALA N N -10.327 8.226 -2.454 1.00 . A A . 25 ALA N 1 1 10 4055 1 1 25 ALA O O -13.163 10.109 -1.498 1.00 . A A . 25 ALA O 1 1 10 4056 1 1 26 SER C C -11.397 12.058 -4.725 1.00 . A A . 26 SER C 1 1 10 4057 1 1 26 SER CA C -11.849 11.742 -3.311 1.00 . A A . 26 SER CA 1 1 10 4058 1 1 26 SER CB C -11.098 12.605 -2.282 1.00 . A A . 26 SER CB 1 1 10 4059 1 1 26 SER H H -10.936 9.934 -3.660 1.00 . A A . 26 SER H 1 1 10 4060 1 1 26 SER HA H -12.911 11.914 -3.217 1.00 . A A . 26 SER HA 1 1 10 4061 1 1 26 SER HB2 H -11.443 12.348 -1.291 1.00 . A A . 26 SER HB2 1 1 10 4062 1 1 26 SER HB3 H -10.039 12.407 -2.354 1.00 . A A . 26 SER HB3 1 1 10 4063 1 1 26 SER HG H -11.978 14.266 -1.828 1.00 . A A . 26 SER HG 1 1 10 4064 1 1 26 SER N N -11.581 10.368 -3.060 1.00 . A A . 26 SER N 1 1 10 4065 1 1 26 SER O O -10.635 11.282 -5.325 1.00 . A A . 26 SER O 1 1 10 4066 1 1 26 SER OG O -11.323 13.978 -2.479 1.00 . A A . 26 SER OG 1 1 10 4067 1 1 27 ARG C C -11.466 15.080 -6.593 1.00 . A A . 27 ARG C 1 1 10 4068 1 1 27 ARG CA C -11.558 13.572 -6.580 1.00 . A A . 27 ARG CA 1 1 10 4069 1 1 27 ARG CB C -12.641 13.085 -7.536 1.00 . A A . 27 ARG CB 1 1 10 4070 1 1 27 ARG CD C -13.520 12.887 -9.834 1.00 . A A . 27 ARG CD 1 1 10 4071 1 1 27 ARG CG C -12.434 13.475 -8.980 1.00 . A A . 27 ARG CG 1 1 10 4072 1 1 27 ARG CZ C -14.270 12.927 -12.184 1.00 . A A . 27 ARG CZ 1 1 10 4073 1 1 27 ARG H H -12.447 13.727 -4.704 1.00 . A A . 27 ARG H 1 1 10 4074 1 1 27 ARG HA H -10.609 13.146 -6.866 1.00 . A A . 27 ARG HA 1 1 10 4075 1 1 27 ARG HB2 H -12.684 12.007 -7.485 1.00 . A A . 27 ARG HB2 1 1 10 4076 1 1 27 ARG HB3 H -13.589 13.484 -7.209 1.00 . A A . 27 ARG HB3 1 1 10 4077 1 1 27 ARG HD2 H -13.479 11.812 -9.740 1.00 . A A . 27 ARG HD2 1 1 10 4078 1 1 27 ARG HD3 H -14.476 13.238 -9.476 1.00 . A A . 27 ARG HD3 1 1 10 4079 1 1 27 ARG HE H -12.566 13.737 -11.480 1.00 . A A . 27 ARG HE 1 1 10 4080 1 1 27 ARG HG2 H -12.462 14.551 -9.062 1.00 . A A . 27 ARG HG2 1 1 10 4081 1 1 27 ARG HG3 H -11.476 13.110 -9.320 1.00 . A A . 27 ARG HG3 1 1 10 4082 1 1 27 ARG HH11 H -15.556 11.952 -10.927 1.00 . A A . 27 ARG HH11 1 1 10 4083 1 1 27 ARG HH12 H -16.066 11.999 -12.548 1.00 . A A . 27 ARG HH12 1 1 10 4084 1 1 27 ARG HH21 H -13.229 13.815 -13.674 1.00 . A A . 27 ARG HH21 1 1 10 4085 1 1 27 ARG HH22 H -14.705 13.087 -14.173 1.00 . A A . 27 ARG HH22 1 1 10 4086 1 1 27 ARG N N -11.869 13.149 -5.250 1.00 . A A . 27 ARG N 1 1 10 4087 1 1 27 ARG NE N -13.382 13.238 -11.242 1.00 . A A . 27 ARG NE 1 1 10 4088 1 1 27 ARG NH1 N -15.370 12.247 -11.867 1.00 . A A . 27 ARG NH1 1 1 10 4089 1 1 27 ARG NH2 N -14.057 13.300 -13.435 1.00 . A A . 27 ARG NH2 1 1 10 4090 1 1 27 ARG O O -12.350 15.770 -6.071 1.00 . A A . 27 ARG O 1 1 10 4091 1 1 28 GLY C C -9.288 17.500 -6.101 1.00 . A A . 28 GLY C 1 1 10 4092 1 1 28 GLY CA C -10.210 17.016 -7.191 1.00 . A A . 28 GLY CA 1 1 10 4093 1 1 28 GLY H H -9.729 15.001 -7.555 1.00 . A A . 28 GLY H 1 1 10 4094 1 1 28 GLY HA2 H -9.803 17.294 -8.152 1.00 . A A . 28 GLY HA2 1 1 10 4095 1 1 28 GLY HA3 H -11.174 17.486 -7.064 1.00 . A A . 28 GLY HA3 1 1 10 4096 1 1 28 GLY N N -10.398 15.593 -7.147 1.00 . A A . 28 GLY N 1 1 10 4097 1 1 28 GLY O O -8.848 18.654 -6.115 1.00 . A A . 28 GLY O 1 1 10 4098 1 1 29 THR C C -6.679 16.995 -4.580 1.00 . A A . 29 THR C 1 1 10 4099 1 1 29 THR CA C -8.108 16.954 -4.069 1.00 . A A . 29 THR CA 1 1 10 4100 1 1 29 THR CB C -8.274 15.923 -2.939 1.00 . A A . 29 THR CB 1 1 10 4101 1 1 29 THR CG2 C -7.328 16.198 -1.780 1.00 . A A . 29 THR CG2 1 1 10 4102 1 1 29 THR H H -9.377 15.732 -5.197 1.00 . A A . 29 THR H 1 1 10 4103 1 1 29 THR HA H -8.375 17.933 -3.698 1.00 . A A . 29 THR HA 1 1 10 4104 1 1 29 THR HB H -8.086 14.938 -3.340 1.00 . A A . 29 THR HB 1 1 10 4105 1 1 29 THR HG1 H -10.047 15.110 -2.506 1.00 . A A . 29 THR HG1 1 1 10 4106 1 1 29 THR HG21 H -6.308 16.168 -2.134 1.00 . A A . 29 THR HG21 1 1 10 4107 1 1 29 THR HG22 H -7.466 15.446 -1.017 1.00 . A A . 29 THR HG22 1 1 10 4108 1 1 29 THR HG23 H -7.538 17.171 -1.366 1.00 . A A . 29 THR HG23 1 1 10 4109 1 1 29 THR N N -8.995 16.634 -5.161 1.00 . A A . 29 THR N 1 1 10 4110 1 1 29 THR O O -5.951 17.966 -4.373 1.00 . A A . 29 THR O 1 1 10 4111 1 1 29 THR OG1 O -9.628 15.985 -2.478 1.00 . A A . 29 THR OG1 1 1 10 4112 1 1 30 ASN C C -5.159 15.040 -7.136 1.00 . A A . 30 ASN C 1 1 10 4113 1 1 30 ASN CA C -5.025 15.909 -5.911 1.00 . A A . 30 ASN CA 1 1 10 4114 1 1 30 ASN CB C -3.945 15.359 -4.966 1.00 . A A . 30 ASN CB 1 1 10 4115 1 1 30 ASN CG C -2.543 15.491 -5.547 1.00 . A A . 30 ASN CG 1 1 10 4116 1 1 30 ASN H H -6.931 15.225 -5.415 1.00 . A A . 30 ASN H 1 1 10 4117 1 1 30 ASN HA H -4.760 16.908 -6.224 1.00 . A A . 30 ASN HA 1 1 10 4118 1 1 30 ASN HB2 H -3.983 15.901 -4.033 1.00 . A A . 30 ASN HB2 1 1 10 4119 1 1 30 ASN HB3 H -4.141 14.314 -4.776 1.00 . A A . 30 ASN HB3 1 1 10 4120 1 1 30 ASN HD21 H -2.299 17.227 -4.635 1.00 . A A . 30 ASN HD21 1 1 10 4121 1 1 30 ASN HD22 H -0.971 16.683 -5.594 1.00 . A A . 30 ASN HD22 1 1 10 4122 1 1 30 ASN N N -6.309 15.974 -5.285 1.00 . A A . 30 ASN N 1 1 10 4123 1 1 30 ASN ND2 N -1.874 16.567 -5.229 1.00 . A A . 30 ASN ND2 1 1 10 4124 1 1 30 ASN O O -5.040 13.811 -7.050 1.00 . A A . 30 ASN O 1 1 10 4125 1 1 30 ASN OD1 O -2.058 14.610 -6.254 1.00 . A A . 30 ASN OD1 1 1 10 4126 1 1 31 PRO C C -4.384 14.519 -10.116 1.00 . A A . 31 PRO C 1 1 10 4127 1 1 31 PRO CA C -5.718 14.945 -9.533 1.00 . A A . 31 PRO CA 1 1 10 4128 1 1 31 PRO CB C -6.411 15.972 -10.449 1.00 . A A . 31 PRO CB 1 1 10 4129 1 1 31 PRO CD C -5.841 17.085 -8.418 1.00 . A A . 31 PRO CD 1 1 10 4130 1 1 31 PRO CG C -6.811 17.100 -9.555 1.00 . A A . 31 PRO CG 1 1 10 4131 1 1 31 PRO HA H -6.348 14.077 -9.407 1.00 . A A . 31 PRO HA 1 1 10 4132 1 1 31 PRO HB2 H -5.719 16.290 -11.213 1.00 . A A . 31 PRO HB2 1 1 10 4133 1 1 31 PRO HB3 H -7.270 15.515 -10.918 1.00 . A A . 31 PRO HB3 1 1 10 4134 1 1 31 PRO HD2 H -4.954 17.650 -8.663 1.00 . A A . 31 PRO HD2 1 1 10 4135 1 1 31 PRO HD3 H -6.308 17.473 -7.525 1.00 . A A . 31 PRO HD3 1 1 10 4136 1 1 31 PRO HG2 H -6.749 18.035 -10.091 1.00 . A A . 31 PRO HG2 1 1 10 4137 1 1 31 PRO HG3 H -7.815 16.943 -9.192 1.00 . A A . 31 PRO HG3 1 1 10 4138 1 1 31 PRO N N -5.540 15.651 -8.272 1.00 . A A . 31 PRO N 1 1 10 4139 1 1 31 PRO O O -3.677 15.370 -10.731 1.00 . A A . 31 PRO O 1 1 10 4140 1 1 31 PRO OXT O -4.016 13.348 -9.963 1.00 . A A . 31 PRO OXT 1 1 11 4141 1 1 1 ASP C C 8.213 8.546 4.689 1.00 . A A . 1 ASP C 1 1 11 4142 1 1 1 ASP CA C 9.421 7.638 4.761 1.00 . A A . 1 ASP CA 1 1 11 4143 1 1 1 ASP CB C 9.041 6.331 5.466 1.00 . A A . 1 ASP CB 1 1 11 4144 1 1 1 ASP CG C 7.966 5.562 4.738 1.00 . A A . 1 ASP CG 1 1 11 4145 1 1 1 ASP H1 H 10.210 8.600 6.411 1.00 . A A . 1 ASP H1 1 1 11 4146 1 1 1 ASP H2 H 10.788 9.170 4.930 1.00 . A A . 1 ASP H2 1 1 11 4147 1 1 1 ASP H3 H 11.356 7.709 5.539 1.00 . A A . 1 ASP H3 1 1 11 4148 1 1 1 ASP HA H 9.743 7.420 3.753 1.00 . A A . 1 ASP HA 1 1 11 4149 1 1 1 ASP HB2 H 9.910 5.695 5.535 1.00 . A A . 1 ASP HB2 1 1 11 4150 1 1 1 ASP HB3 H 8.685 6.558 6.460 1.00 . A A . 1 ASP HB3 1 1 11 4151 1 1 1 ASP N N 10.517 8.318 5.460 1.00 . A A . 1 ASP N 1 1 11 4152 1 1 1 ASP O O 7.903 9.261 5.657 1.00 . A A . 1 ASP O 1 1 11 4153 1 1 1 ASP OD1 O 8.283 4.854 3.773 1.00 . A A . 1 ASP OD1 1 1 11 4154 1 1 1 ASP OD2 O 6.791 5.627 5.125 1.00 . A A . 1 ASP OD2 1 1 11 4155 1 1 2 VAL C C 5.334 8.419 2.654 1.00 . A A . 2 VAL C 1 1 11 4156 1 1 2 VAL CA C 6.352 9.316 3.325 1.00 . A A . 2 VAL CA 1 1 11 4157 1 1 2 VAL CB C 6.614 10.573 2.434 1.00 . A A . 2 VAL CB 1 1 11 4158 1 1 2 VAL CG1 C 7.474 11.593 3.163 1.00 . A A . 2 VAL CG1 1 1 11 4159 1 1 2 VAL CG2 C 7.270 10.178 1.114 1.00 . A A . 2 VAL CG2 1 1 11 4160 1 1 2 VAL H H 7.830 7.947 2.819 1.00 . A A . 2 VAL H 1 1 11 4161 1 1 2 VAL HA H 5.968 9.626 4.285 1.00 . A A . 2 VAL HA 1 1 11 4162 1 1 2 VAL HB H 5.661 11.033 2.215 1.00 . A A . 2 VAL HB 1 1 11 4163 1 1 2 VAL HG11 H 7.642 12.448 2.525 1.00 . A A . 2 VAL HG11 1 1 11 4164 1 1 2 VAL HG12 H 8.422 11.142 3.418 1.00 . A A . 2 VAL HG12 1 1 11 4165 1 1 2 VAL HG13 H 6.973 11.908 4.067 1.00 . A A . 2 VAL HG13 1 1 11 4166 1 1 2 VAL HG21 H 8.209 9.684 1.315 1.00 . A A . 2 VAL HG21 1 1 11 4167 1 1 2 VAL HG22 H 7.449 11.065 0.525 1.00 . A A . 2 VAL HG22 1 1 11 4168 1 1 2 VAL HG23 H 6.618 9.508 0.573 1.00 . A A . 2 VAL HG23 1 1 11 4169 1 1 2 VAL N N 7.551 8.536 3.553 1.00 . A A . 2 VAL N 1 1 11 4170 1 1 2 VAL O O 5.692 7.332 2.185 1.00 . A A . 2 VAL O 1 1 11 4171 1 1 3 SER C C 2.369 8.772 0.871 1.00 . A A . 3 SER C 1 1 11 4172 1 1 3 SER CA C 3.074 8.037 2.014 1.00 . A A . 3 SER CA 1 1 11 4173 1 1 3 SER CB C 2.071 7.595 3.076 1.00 . A A . 3 SER CB 1 1 11 4174 1 1 3 SER H H 3.856 9.700 3.002 1.00 . A A . 3 SER H 1 1 11 4175 1 1 3 SER HA H 3.545 7.151 1.613 1.00 . A A . 3 SER HA 1 1 11 4176 1 1 3 SER HB2 H 1.606 8.467 3.513 1.00 . A A . 3 SER HB2 1 1 11 4177 1 1 3 SER HB3 H 1.317 6.968 2.624 1.00 . A A . 3 SER HB3 1 1 11 4178 1 1 3 SER HG H 3.440 6.373 3.663 1.00 . A A . 3 SER HG 1 1 11 4179 1 1 3 SER N N 4.102 8.833 2.614 1.00 . A A . 3 SER N 1 1 11 4180 1 1 3 SER O O 1.468 9.588 1.106 1.00 . A A . 3 SER O 1 1 11 4181 1 1 3 SER OG O 2.728 6.858 4.104 1.00 . A A . 3 SER OG 1 1 11 4182 1 1 4 PRO C C 1.026 8.125 -1.907 1.00 . A A . 4 PRO C 1 1 11 4183 1 1 4 PRO CA C 2.159 9.066 -1.550 1.00 . A A . 4 PRO CA 1 1 11 4184 1 1 4 PRO CB C 3.249 9.014 -2.639 1.00 . A A . 4 PRO CB 1 1 11 4185 1 1 4 PRO CD C 4.019 7.796 -0.722 1.00 . A A . 4 PRO CD 1 1 11 4186 1 1 4 PRO CG C 4.478 8.489 -1.963 1.00 . A A . 4 PRO CG 1 1 11 4187 1 1 4 PRO HA H 1.790 10.072 -1.416 1.00 . A A . 4 PRO HA 1 1 11 4188 1 1 4 PRO HB2 H 2.926 8.351 -3.429 1.00 . A A . 4 PRO HB2 1 1 11 4189 1 1 4 PRO HB3 H 3.408 10.003 -3.039 1.00 . A A . 4 PRO HB3 1 1 11 4190 1 1 4 PRO HD2 H 3.781 6.762 -0.927 1.00 . A A . 4 PRO HD2 1 1 11 4191 1 1 4 PRO HD3 H 4.768 7.873 0.053 1.00 . A A . 4 PRO HD3 1 1 11 4192 1 1 4 PRO HG2 H 4.991 7.792 -2.608 1.00 . A A . 4 PRO HG2 1 1 11 4193 1 1 4 PRO HG3 H 5.132 9.309 -1.708 1.00 . A A . 4 PRO HG3 1 1 11 4194 1 1 4 PRO N N 2.822 8.555 -0.368 1.00 . A A . 4 PRO N 1 1 11 4195 1 1 4 PRO O O 1.149 6.933 -1.697 1.00 . A A . 4 PRO O 1 1 11 4196 1 1 5 CYS C C -0.955 6.835 -3.854 1.00 . A A . 5 CYS C 1 1 11 4197 1 1 5 CYS CA C -1.206 7.818 -2.718 1.00 . A A . 5 CYS CA 1 1 11 4198 1 1 5 CYS CB C -2.429 8.675 -3.019 1.00 . A A . 5 CYS CB 1 1 11 4199 1 1 5 CYS H H -0.097 9.605 -2.592 1.00 . A A . 5 CYS H 1 1 11 4200 1 1 5 CYS HA H -1.417 7.244 -1.829 1.00 . A A . 5 CYS HA 1 1 11 4201 1 1 5 CYS HB2 H -2.657 9.273 -2.151 1.00 . A A . 5 CYS HB2 1 1 11 4202 1 1 5 CYS HB3 H -2.201 9.325 -3.850 1.00 . A A . 5 CYS HB3 1 1 11 4203 1 1 5 CYS N N -0.053 8.641 -2.420 1.00 . A A . 5 CYS N 1 1 11 4204 1 1 5 CYS O O -0.768 7.227 -5.016 1.00 . A A . 5 CYS O 1 1 11 4205 1 1 5 CYS SG S -3.930 7.722 -3.446 1.00 . A A . 5 CYS SG 1 1 11 4206 1 1 6 PHE C C -1.766 3.408 -4.006 1.00 . A A . 6 PHE C 1 1 11 4207 1 1 6 PHE CA C -0.821 4.497 -4.459 1.00 . A A . 6 PHE CA 1 1 11 4208 1 1 6 PHE CB C 0.615 3.956 -4.661 1.00 . A A . 6 PHE CB 1 1 11 4209 1 1 6 PHE CD1 C 2.147 4.265 -2.695 1.00 . A A . 6 PHE CD1 1 1 11 4210 1 1 6 PHE CD2 C 1.124 2.138 -2.992 1.00 . A A . 6 PHE CD2 1 1 11 4211 1 1 6 PHE CE1 C 2.788 3.805 -1.568 1.00 . A A . 6 PHE CE1 1 1 11 4212 1 1 6 PHE CE2 C 1.761 1.672 -1.865 1.00 . A A . 6 PHE CE2 1 1 11 4213 1 1 6 PHE CG C 1.307 3.442 -3.421 1.00 . A A . 6 PHE CG 1 1 11 4214 1 1 6 PHE CZ C 2.595 2.508 -1.152 1.00 . A A . 6 PHE CZ 1 1 11 4215 1 1 6 PHE H H -0.861 5.359 -2.543 1.00 . A A . 6 PHE H 1 1 11 4216 1 1 6 PHE HA H -1.196 4.889 -5.393 1.00 . A A . 6 PHE HA 1 1 11 4217 1 1 6 PHE HB2 H 0.582 3.142 -5.370 1.00 . A A . 6 PHE HB2 1 1 11 4218 1 1 6 PHE HB3 H 1.213 4.753 -5.075 1.00 . A A . 6 PHE HB3 1 1 11 4219 1 1 6 PHE HD1 H 2.297 5.285 -3.018 1.00 . A A . 6 PHE HD1 1 1 11 4220 1 1 6 PHE HD2 H 0.471 1.483 -3.551 1.00 . A A . 6 PHE HD2 1 1 11 4221 1 1 6 PHE HE1 H 3.442 4.460 -1.012 1.00 . A A . 6 PHE HE1 1 1 11 4222 1 1 6 PHE HE2 H 1.608 0.654 -1.540 1.00 . A A . 6 PHE HE2 1 1 11 4223 1 1 6 PHE HZ H 3.094 2.147 -0.266 1.00 . A A . 6 PHE HZ 1 1 11 4224 1 1 6 PHE N N -0.881 5.577 -3.503 1.00 . A A . 6 PHE N 1 1 11 4225 1 1 6 PHE O O -2.014 3.264 -2.799 1.00 . A A . 6 PHE O 1 1 11 4226 1 1 7 CYS C C -2.823 0.295 -5.093 1.00 . A A . 7 CYS C 1 1 11 4227 1 1 7 CYS CA C -3.254 1.644 -4.595 1.00 . A A . 7 CYS CA 1 1 11 4228 1 1 7 CYS CB C -4.620 1.986 -5.134 1.00 . A A . 7 CYS CB 1 1 11 4229 1 1 7 CYS H H -2.054 2.780 -5.874 1.00 . A A . 7 CYS H 1 1 11 4230 1 1 7 CYS HA H -3.317 1.603 -3.519 1.00 . A A . 7 CYS HA 1 1 11 4231 1 1 7 CYS HB2 H -4.562 2.011 -6.209 1.00 . A A . 7 CYS HB2 1 1 11 4232 1 1 7 CYS HB3 H -5.304 1.200 -4.848 1.00 . A A . 7 CYS HB3 1 1 11 4233 1 1 7 CYS N N -2.300 2.663 -4.931 1.00 . A A . 7 CYS N 1 1 11 4234 1 1 7 CYS O O -2.237 0.165 -6.172 1.00 . A A . 7 CYS O 1 1 11 4235 1 1 7 CYS SG S -5.297 3.566 -4.522 1.00 . A A . 7 CYS SG 1 1 11 4236 1 1 8 VAL C C -3.991 -2.931 -4.296 1.00 . A A . 8 VAL C 1 1 11 4237 1 1 8 VAL CA C -2.760 -2.071 -4.594 1.00 . A A . 8 VAL CA 1 1 11 4238 1 1 8 VAL CB C -1.573 -2.553 -3.677 1.00 . A A . 8 VAL CB 1 1 11 4239 1 1 8 VAL CG1 C -1.050 -3.917 -4.091 1.00 . A A . 8 VAL CG1 1 1 11 4240 1 1 8 VAL CG2 C -0.431 -1.540 -3.626 1.00 . A A . 8 VAL CG2 1 1 11 4241 1 1 8 VAL H H -3.627 -0.520 -3.486 1.00 . A A . 8 VAL H 1 1 11 4242 1 1 8 VAL HA H -2.480 -2.161 -5.633 1.00 . A A . 8 VAL HA 1 1 11 4243 1 1 8 VAL HB H -1.978 -2.663 -2.683 1.00 . A A . 8 VAL HB 1 1 11 4244 1 1 8 VAL HG11 H -0.248 -4.213 -3.430 1.00 . A A . 8 VAL HG11 1 1 11 4245 1 1 8 VAL HG12 H -0.678 -3.866 -5.104 1.00 . A A . 8 VAL HG12 1 1 11 4246 1 1 8 VAL HG13 H -1.850 -4.640 -4.035 1.00 . A A . 8 VAL HG13 1 1 11 4247 1 1 8 VAL HG21 H 0.356 -1.916 -2.987 1.00 . A A . 8 VAL HG21 1 1 11 4248 1 1 8 VAL HG22 H -0.798 -0.604 -3.232 1.00 . A A . 8 VAL HG22 1 1 11 4249 1 1 8 VAL HG23 H -0.044 -1.385 -4.622 1.00 . A A . 8 VAL HG23 1 1 11 4250 1 1 8 VAL N N -3.116 -0.701 -4.308 1.00 . A A . 8 VAL N 1 1 11 4251 1 1 8 VAL O O -4.819 -2.561 -3.458 1.00 . A A . 8 VAL O 1 1 11 4252 1 1 9 GLU C C -4.796 -5.885 -3.650 1.00 . A A . 9 GLU C 1 1 11 4253 1 1 9 GLU CA C -5.224 -4.932 -4.744 1.00 . A A . 9 GLU CA 1 1 11 4254 1 1 9 GLU CB C -5.565 -5.675 -6.030 1.00 . A A . 9 GLU CB 1 1 11 4255 1 1 9 GLU CD C -7.090 -7.199 -7.268 1.00 . A A . 9 GLU CD 1 1 11 4256 1 1 9 GLU CG C -6.772 -6.580 -5.939 1.00 . A A . 9 GLU CG 1 1 11 4257 1 1 9 GLU H H -3.437 -4.269 -5.626 1.00 . A A . 9 GLU H 1 1 11 4258 1 1 9 GLU HA H -6.084 -4.371 -4.402 1.00 . A A . 9 GLU HA 1 1 11 4259 1 1 9 GLU HB2 H -5.751 -4.954 -6.811 1.00 . A A . 9 GLU HB2 1 1 11 4260 1 1 9 GLU HB3 H -4.713 -6.276 -6.311 1.00 . A A . 9 GLU HB3 1 1 11 4261 1 1 9 GLU HG2 H -6.571 -7.363 -5.224 1.00 . A A . 9 GLU HG2 1 1 11 4262 1 1 9 GLU HG3 H -7.622 -6.000 -5.612 1.00 . A A . 9 GLU HG3 1 1 11 4263 1 1 9 GLU N N -4.126 -4.030 -4.971 1.00 . A A . 9 GLU N 1 1 11 4264 1 1 9 GLU O O -3.938 -6.747 -3.862 1.00 . A A . 9 GLU O 1 1 11 4265 1 1 9 GLU OE1 O -6.572 -8.296 -7.570 1.00 . A A . 9 GLU OE1 1 1 11 4266 1 1 9 GLU OE2 O -7.843 -6.586 -8.045 1.00 . A A . 9 GLU OE2 1 1 11 4267 1 1 10 ASP C C -5.900 -7.556 -1.037 1.00 . A A . 10 ASP C 1 1 11 4268 1 1 10 ASP CA C -4.930 -6.450 -1.324 1.00 . A A . 10 ASP CA 1 1 11 4269 1 1 10 ASP CB C -4.819 -5.540 -0.115 1.00 . A A . 10 ASP CB 1 1 11 4270 1 1 10 ASP CG C -4.243 -6.257 1.078 1.00 . A A . 10 ASP CG 1 1 11 4271 1 1 10 ASP H H -6.084 -5.061 -2.380 1.00 . A A . 10 ASP H 1 1 11 4272 1 1 10 ASP HA H -3.964 -6.893 -1.506 1.00 . A A . 10 ASP HA 1 1 11 4273 1 1 10 ASP HB2 H -4.199 -4.688 -0.352 1.00 . A A . 10 ASP HB2 1 1 11 4274 1 1 10 ASP HB3 H -5.820 -5.211 0.130 1.00 . A A . 10 ASP HB3 1 1 11 4275 1 1 10 ASP N N -5.344 -5.699 -2.483 1.00 . A A . 10 ASP N 1 1 11 4276 1 1 10 ASP O O -7.084 -7.315 -0.813 1.00 . A A . 10 ASP O 1 1 11 4277 1 1 10 ASP OD1 O -5.003 -6.785 1.878 1.00 . A A . 10 ASP OD1 1 1 11 4278 1 1 10 ASP OD2 O -3.008 -6.318 1.214 1.00 . A A . 10 ASP OD2 1 1 11 4279 1 1 11 GLU C C -6.603 -10.099 0.662 1.00 . A A . 11 GLU C 1 1 11 4280 1 1 11 GLU CA C -6.210 -9.937 -0.792 1.00 . A A . 11 GLU CA 1 1 11 4281 1 1 11 GLU CB C -5.507 -11.185 -1.285 1.00 . A A . 11 GLU CB 1 1 11 4282 1 1 11 GLU CD C -6.742 -11.179 -3.436 1.00 . A A . 11 GLU CD 1 1 11 4283 1 1 11 GLU CG C -5.393 -11.264 -2.782 1.00 . A A . 11 GLU CG 1 1 11 4284 1 1 11 GLU H H -4.442 -8.853 -1.215 1.00 . A A . 11 GLU H 1 1 11 4285 1 1 11 GLU HA H -7.115 -9.819 -1.369 1.00 . A A . 11 GLU HA 1 1 11 4286 1 1 11 GLU HB2 H -4.511 -11.208 -0.866 1.00 . A A . 11 GLU HB2 1 1 11 4287 1 1 11 GLU HB3 H -6.056 -12.048 -0.941 1.00 . A A . 11 GLU HB3 1 1 11 4288 1 1 11 GLU HG2 H -4.788 -10.440 -3.129 1.00 . A A . 11 GLU HG2 1 1 11 4289 1 1 11 GLU HG3 H -4.929 -12.199 -3.058 1.00 . A A . 11 GLU HG3 1 1 11 4290 1 1 11 GLU N N -5.401 -8.756 -1.030 1.00 . A A . 11 GLU N 1 1 11 4291 1 1 11 GLU O O -7.592 -10.750 0.965 1.00 . A A . 11 GLU O 1 1 11 4292 1 1 11 GLU OE1 O -7.635 -11.971 -3.092 1.00 . A A . 11 GLU OE1 1 1 11 4293 1 1 11 GLU OE2 O -6.933 -10.335 -4.323 1.00 . A A . 11 GLU OE2 1 1 11 4294 1 1 12 THR C C -7.377 -8.696 3.282 1.00 . A A . 12 THR C 1 1 11 4295 1 1 12 THR CA C -6.169 -9.604 2.959 1.00 . A A . 12 THR CA 1 1 11 4296 1 1 12 THR CB C -4.924 -9.220 3.782 1.00 . A A . 12 THR CB 1 1 11 4297 1 1 12 THR CG2 C -5.110 -9.558 5.254 1.00 . A A . 12 THR CG2 1 1 11 4298 1 1 12 THR H H -5.119 -8.919 1.271 1.00 . A A . 12 THR H 1 1 11 4299 1 1 12 THR HA H -6.435 -10.632 3.160 1.00 . A A . 12 THR HA 1 1 11 4300 1 1 12 THR HB H -4.738 -8.163 3.665 1.00 . A A . 12 THR HB 1 1 11 4301 1 1 12 THR HG1 H -4.145 -10.775 2.874 1.00 . A A . 12 THR HG1 1 1 11 4302 1 1 12 THR HG21 H -5.956 -9.010 5.641 1.00 . A A . 12 THR HG21 1 1 11 4303 1 1 12 THR HG22 H -4.220 -9.287 5.803 1.00 . A A . 12 THR HG22 1 1 11 4304 1 1 12 THR HG23 H -5.290 -10.617 5.361 1.00 . A A . 12 THR HG23 1 1 11 4305 1 1 12 THR N N -5.868 -9.491 1.550 1.00 . A A . 12 THR N 1 1 11 4306 1 1 12 THR O O -8.238 -9.024 4.110 1.00 . A A . 12 THR O 1 1 11 4307 1 1 12 THR OG1 O -3.792 -9.963 3.267 1.00 . A A . 12 THR OG1 1 1 11 4308 1 1 13 SER C C -9.675 -7.175 1.791 1.00 . A A . 13 SER C 1 1 11 4309 1 1 13 SER CA C -8.519 -6.658 2.672 1.00 . A A . 13 SER CA 1 1 11 4310 1 1 13 SER CB C -8.024 -5.294 2.192 1.00 . A A . 13 SER CB 1 1 11 4311 1 1 13 SER H H -6.645 -7.355 2.040 1.00 . A A . 13 SER H 1 1 11 4312 1 1 13 SER HA H -8.843 -6.578 3.695 1.00 . A A . 13 SER HA 1 1 11 4313 1 1 13 SER HB2 H -7.096 -5.048 2.684 1.00 . A A . 13 SER HB2 1 1 11 4314 1 1 13 SER HB3 H -7.854 -5.379 1.131 1.00 . A A . 13 SER HB3 1 1 11 4315 1 1 13 SER HG H -8.561 -3.470 1.995 1.00 . A A . 13 SER HG 1 1 11 4316 1 1 13 SER N N -7.429 -7.582 2.594 1.00 . A A . 13 SER N 1 1 11 4317 1 1 13 SER O O -10.855 -6.985 2.101 1.00 . A A . 13 SER O 1 1 11 4318 1 1 13 SER OG O -8.955 -4.244 2.423 1.00 . A A . 13 SER OG 1 1 11 4319 1 1 14 GLY C C -10.686 -7.470 -1.300 1.00 . A A . 14 GLY C 1 1 11 4320 1 1 14 GLY CA C -10.289 -8.421 -0.194 1.00 . A A . 14 GLY CA 1 1 11 4321 1 1 14 GLY H H -8.360 -7.925 0.484 1.00 . A A . 14 GLY H 1 1 11 4322 1 1 14 GLY HA2 H -9.872 -9.317 -0.631 1.00 . A A . 14 GLY HA2 1 1 11 4323 1 1 14 GLY HA3 H -11.170 -8.683 0.374 1.00 . A A . 14 GLY HA3 1 1 11 4324 1 1 14 GLY N N -9.314 -7.839 0.700 1.00 . A A . 14 GLY N 1 1 11 4325 1 1 14 GLY O O -11.677 -7.705 -2.015 1.00 . A A . 14 GLY O 1 1 11 4326 1 1 15 ALA C C -9.006 -4.456 -2.538 1.00 . A A . 15 ALA C 1 1 11 4327 1 1 15 ALA CA C -10.196 -5.375 -2.432 1.00 . A A . 15 ALA CA 1 1 11 4328 1 1 15 ALA CB C -11.423 -4.571 -1.996 1.00 . A A . 15 ALA CB 1 1 11 4329 1 1 15 ALA H H -9.072 -6.327 -0.952 1.00 . A A . 15 ALA H 1 1 11 4330 1 1 15 ALA HA H -10.398 -5.828 -3.392 1.00 . A A . 15 ALA HA 1 1 11 4331 1 1 15 ALA HB1 H -11.238 -4.133 -1.026 1.00 . A A . 15 ALA HB1 1 1 11 4332 1 1 15 ALA HB2 H -12.283 -5.223 -1.938 1.00 . A A . 15 ALA HB2 1 1 11 4333 1 1 15 ALA HB3 H -11.609 -3.787 -2.714 1.00 . A A . 15 ALA HB3 1 1 11 4334 1 1 15 ALA N N -9.906 -6.413 -1.468 1.00 . A A . 15 ALA N 1 1 11 4335 1 1 15 ALA O O -7.992 -4.664 -1.856 1.00 . A A . 15 ALA O 1 1 11 4336 1 1 16 LYS C C -7.946 -1.698 -2.216 1.00 . A A . 16 LYS C 1 1 11 4337 1 1 16 LYS CA C -8.097 -2.453 -3.529 1.00 . A A . 16 LYS CA 1 1 11 4338 1 1 16 LYS CB C -8.477 -1.475 -4.641 1.00 . A A . 16 LYS CB 1 1 11 4339 1 1 16 LYS CD C -7.860 0.553 -6.031 1.00 . A A . 16 LYS CD 1 1 11 4340 1 1 16 LYS CE C -8.678 1.729 -5.466 1.00 . A A . 16 LYS CE 1 1 11 4341 1 1 16 LYS CG C -7.403 -0.453 -4.971 1.00 . A A . 16 LYS CG 1 1 11 4342 1 1 16 LYS H H -9.894 -3.407 -3.977 1.00 . A A . 16 LYS H 1 1 11 4343 1 1 16 LYS HA H -7.157 -2.920 -3.776 1.00 . A A . 16 LYS HA 1 1 11 4344 1 1 16 LYS HB2 H -8.683 -2.038 -5.540 1.00 . A A . 16 LYS HB2 1 1 11 4345 1 1 16 LYS HB3 H -9.370 -0.945 -4.347 1.00 . A A . 16 LYS HB3 1 1 11 4346 1 1 16 LYS HD2 H -6.986 0.961 -6.516 1.00 . A A . 16 LYS HD2 1 1 11 4347 1 1 16 LYS HD3 H -8.456 0.030 -6.764 1.00 . A A . 16 LYS HD3 1 1 11 4348 1 1 16 LYS HE2 H -8.066 2.256 -4.749 1.00 . A A . 16 LYS HE2 1 1 11 4349 1 1 16 LYS HE3 H -8.902 2.401 -6.282 1.00 . A A . 16 LYS HE3 1 1 11 4350 1 1 16 LYS HG2 H -7.150 0.077 -4.065 1.00 . A A . 16 LYS HG2 1 1 11 4351 1 1 16 LYS HG3 H -6.527 -0.976 -5.330 1.00 . A A . 16 LYS HG3 1 1 11 4352 1 1 16 LYS HZ1 H -10.410 2.239 -4.500 1.00 . A A . 16 LYS HZ1 1 1 11 4353 1 1 16 LYS HZ2 H -9.761 0.823 -3.918 1.00 . A A . 16 LYS HZ2 1 1 11 4354 1 1 16 LYS HZ3 H -10.590 0.820 -5.408 1.00 . A A . 16 LYS HZ3 1 1 11 4355 1 1 16 LYS N N -9.112 -3.462 -3.388 1.00 . A A . 16 LYS N 1 1 11 4356 1 1 16 LYS NZ N -9.942 1.354 -4.794 1.00 . A A . 16 LYS NZ 1 1 11 4357 1 1 16 LYS O O -8.928 -1.325 -1.578 1.00 . A A . 16 LYS O 1 1 11 4358 1 1 17 THR C C -5.266 0.083 -0.961 1.00 . A A . 17 THR C 1 1 11 4359 1 1 17 THR CA C -6.418 -0.834 -0.616 1.00 . A A . 17 THR CA 1 1 11 4360 1 1 17 THR CB C -6.044 -1.814 0.511 1.00 . A A . 17 THR CB 1 1 11 4361 1 1 17 THR CG2 C -5.888 -1.089 1.838 1.00 . A A . 17 THR CG2 1 1 11 4362 1 1 17 THR H H -5.989 -1.909 -2.322 1.00 . A A . 17 THR H 1 1 11 4363 1 1 17 THR HA H -7.277 -0.247 -0.324 1.00 . A A . 17 THR HA 1 1 11 4364 1 1 17 THR HB H -5.123 -2.318 0.256 1.00 . A A . 17 THR HB 1 1 11 4365 1 1 17 THR HG1 H -7.493 -2.871 -0.243 1.00 . A A . 17 THR HG1 1 1 11 4366 1 1 17 THR HG21 H -5.124 -0.332 1.742 1.00 . A A . 17 THR HG21 1 1 11 4367 1 1 17 THR HG22 H -5.606 -1.793 2.607 1.00 . A A . 17 THR HG22 1 1 11 4368 1 1 17 THR HG23 H -6.824 -0.620 2.100 1.00 . A A . 17 THR HG23 1 1 11 4369 1 1 17 THR N N -6.741 -1.546 -1.800 1.00 . A A . 17 THR N 1 1 11 4370 1 1 17 THR O O -4.358 -0.305 -1.714 1.00 . A A . 17 THR O 1 1 11 4371 1 1 17 THR OG1 O -7.105 -2.776 0.635 1.00 . A A . 17 THR OG1 1 1 11 4372 1 1 18 CYS C C -3.467 2.622 0.299 1.00 . A A . 18 CYS C 1 1 11 4373 1 1 18 CYS CA C -4.321 2.229 -0.876 1.00 . A A . 18 CYS CA 1 1 11 4374 1 1 18 CYS CB C -4.999 3.450 -1.477 1.00 . A A . 18 CYS CB 1 1 11 4375 1 1 18 CYS H H -6.021 1.554 0.126 1.00 . A A . 18 CYS H 1 1 11 4376 1 1 18 CYS HA H -3.694 1.785 -1.632 1.00 . A A . 18 CYS HA 1 1 11 4377 1 1 18 CYS HB2 H -5.503 3.994 -0.694 1.00 . A A . 18 CYS HB2 1 1 11 4378 1 1 18 CYS HB3 H -4.243 4.089 -1.911 1.00 . A A . 18 CYS HB3 1 1 11 4379 1 1 18 CYS N N -5.313 1.280 -0.496 1.00 . A A . 18 CYS N 1 1 11 4380 1 1 18 CYS O O -3.768 2.271 1.452 1.00 . A A . 18 CYS O 1 1 11 4381 1 1 18 CYS SG S -6.214 3.052 -2.788 1.00 . A A . 18 CYS SG 1 1 11 4382 1 1 19 VAL C C -1.377 5.324 0.649 1.00 . A A . 19 VAL C 1 1 11 4383 1 1 19 VAL CA C -1.524 3.855 0.998 1.00 . A A . 19 VAL CA 1 1 11 4384 1 1 19 VAL CB C -0.113 3.187 1.010 1.00 . A A . 19 VAL CB 1 1 11 4385 1 1 19 VAL CG1 C 0.782 3.820 2.074 1.00 . A A . 19 VAL CG1 1 1 11 4386 1 1 19 VAL CG2 C -0.214 1.686 1.243 1.00 . A A . 19 VAL CG2 1 1 11 4387 1 1 19 VAL H H -2.169 3.450 -0.939 1.00 . A A . 19 VAL H 1 1 11 4388 1 1 19 VAL HA H -1.999 3.742 1.961 1.00 . A A . 19 VAL HA 1 1 11 4389 1 1 19 VAL HB H 0.345 3.355 0.046 1.00 . A A . 19 VAL HB 1 1 11 4390 1 1 19 VAL HG11 H 0.329 3.693 3.047 1.00 . A A . 19 VAL HG11 1 1 11 4391 1 1 19 VAL HG12 H 0.896 4.873 1.866 1.00 . A A . 19 VAL HG12 1 1 11 4392 1 1 19 VAL HG13 H 1.750 3.342 2.062 1.00 . A A . 19 VAL HG13 1 1 11 4393 1 1 19 VAL HG21 H -0.663 1.508 2.209 1.00 . A A . 19 VAL HG21 1 1 11 4394 1 1 19 VAL HG22 H 0.773 1.249 1.217 1.00 . A A . 19 VAL HG22 1 1 11 4395 1 1 19 VAL HG23 H -0.828 1.243 0.474 1.00 . A A . 19 VAL HG23 1 1 11 4396 1 1 19 VAL N N -2.393 3.294 0.007 1.00 . A A . 19 VAL N 1 1 11 4397 1 1 19 VAL O O -0.922 5.634 -0.438 1.00 . A A . 19 VAL O 1 1 11 4398 1 1 20 PRO C C -3.996 5.384 2.430 1.00 . A A . 20 PRO C 1 1 11 4399 1 1 20 PRO CA C -2.589 5.913 2.727 1.00 . A A . 20 PRO CA 1 1 11 4400 1 1 20 PRO CB C -2.682 7.252 3.455 1.00 . A A . 20 PRO CB 1 1 11 4401 1 1 20 PRO CD C -1.726 7.703 1.322 1.00 . A A . 20 PRO CD 1 1 11 4402 1 1 20 PRO CG C -2.654 8.257 2.365 1.00 . A A . 20 PRO CG 1 1 11 4403 1 1 20 PRO HA H -2.050 5.201 3.335 1.00 . A A . 20 PRO HA 1 1 11 4404 1 1 20 PRO HB2 H -3.607 7.286 4.011 1.00 . A A . 20 PRO HB2 1 1 11 4405 1 1 20 PRO HB3 H -1.845 7.359 4.126 1.00 . A A . 20 PRO HB3 1 1 11 4406 1 1 20 PRO HD2 H -2.041 8.005 0.334 1.00 . A A . 20 PRO HD2 1 1 11 4407 1 1 20 PRO HD3 H -0.711 8.019 1.509 1.00 . A A . 20 PRO HD3 1 1 11 4408 1 1 20 PRO HG2 H -3.652 8.367 1.970 1.00 . A A . 20 PRO HG2 1 1 11 4409 1 1 20 PRO HG3 H -2.310 9.213 2.723 1.00 . A A . 20 PRO HG3 1 1 11 4410 1 1 20 PRO N N -1.861 6.246 1.498 1.00 . A A . 20 PRO N 1 1 11 4411 1 1 20 PRO O O -4.528 5.549 1.315 1.00 . A A . 20 PRO O 1 1 11 4412 1 1 21 ASP C C -6.939 5.199 2.945 1.00 . A A . 21 ASP C 1 1 11 4413 1 1 21 ASP CA C -5.889 4.158 3.298 1.00 . A A . 21 ASP CA 1 1 11 4414 1 1 21 ASP CB C -6.242 3.443 4.598 1.00 . A A . 21 ASP CB 1 1 11 4415 1 1 21 ASP CG C -7.635 2.867 4.618 1.00 . A A . 21 ASP CG 1 1 11 4416 1 1 21 ASP H H -4.103 4.718 4.268 1.00 . A A . 21 ASP H 1 1 11 4417 1 1 21 ASP HA H -5.845 3.428 2.504 1.00 . A A . 21 ASP HA 1 1 11 4418 1 1 21 ASP HB2 H -5.540 2.641 4.768 1.00 . A A . 21 ASP HB2 1 1 11 4419 1 1 21 ASP HB3 H -6.161 4.163 5.399 1.00 . A A . 21 ASP HB3 1 1 11 4420 1 1 21 ASP N N -4.576 4.763 3.411 1.00 . A A . 21 ASP N 1 1 11 4421 1 1 21 ASP O O -7.005 6.265 3.573 1.00 . A A . 21 ASP O 1 1 11 4422 1 1 21 ASP OD1 O -8.493 3.404 5.341 1.00 . A A . 21 ASP OD1 1 1 11 4423 1 1 21 ASP OD2 O -7.898 1.866 3.919 1.00 . A A . 21 ASP OD2 1 1 11 4424 1 1 22 ASN C C -8.247 7.034 0.769 1.00 . A A . 22 ASN C 1 1 11 4425 1 1 22 ASN CA C -8.772 5.744 1.394 1.00 . A A . 22 ASN CA 1 1 11 4426 1 1 22 ASN CB C -9.853 6.017 2.440 1.00 . A A . 22 ASN CB 1 1 11 4427 1 1 22 ASN CG C -10.681 4.791 2.804 1.00 . A A . 22 ASN CG 1 1 11 4428 1 1 22 ASN H H -7.609 4.023 1.489 1.00 . A A . 22 ASN H 1 1 11 4429 1 1 22 ASN HA H -9.219 5.175 0.593 1.00 . A A . 22 ASN HA 1 1 11 4430 1 1 22 ASN HB2 H -9.400 6.415 3.337 1.00 . A A . 22 ASN HB2 1 1 11 4431 1 1 22 ASN HB3 H -10.502 6.753 2.000 1.00 . A A . 22 ASN HB3 1 1 11 4432 1 1 22 ASN HD21 H -10.678 4.149 0.925 1.00 . A A . 22 ASN HD21 1 1 11 4433 1 1 22 ASN HD22 H -11.511 3.152 2.045 1.00 . A A . 22 ASN HD22 1 1 11 4434 1 1 22 ASN N N -7.717 4.895 1.918 1.00 . A A . 22 ASN N 1 1 11 4435 1 1 22 ASN ND2 N -10.984 3.953 1.837 1.00 . A A . 22 ASN ND2 1 1 11 4436 1 1 22 ASN O O -8.950 8.057 0.734 1.00 . A A . 22 ASN O 1 1 11 4437 1 1 22 ASN OD1 O -11.099 4.628 3.953 1.00 . A A . 22 ASN OD1 1 1 11 4438 1 1 23 CYS C C -7.140 8.230 -1.861 1.00 . A A . 23 CYS C 1 1 11 4439 1 1 23 CYS CA C -6.496 8.143 -0.479 1.00 . A A . 23 CYS CA 1 1 11 4440 1 1 23 CYS CB C -4.982 8.071 -0.633 1.00 . A A . 23 CYS CB 1 1 11 4441 1 1 23 CYS H H -6.416 6.237 0.400 1.00 . A A . 23 CYS H 1 1 11 4442 1 1 23 CYS HA H -6.760 9.029 0.073 1.00 . A A . 23 CYS HA 1 1 11 4443 1 1 23 CYS HB2 H -4.630 9.001 -1.049 1.00 . A A . 23 CYS HB2 1 1 11 4444 1 1 23 CYS HB3 H -4.540 7.914 0.338 1.00 . A A . 23 CYS HB3 1 1 11 4445 1 1 23 CYS N N -7.018 6.997 0.250 1.00 . A A . 23 CYS N 1 1 11 4446 1 1 23 CYS O O -7.111 9.293 -2.513 1.00 . A A . 23 CYS O 1 1 11 4447 1 1 23 CYS SG S -4.389 6.741 -1.730 1.00 . A A . 23 CYS SG 1 1 11 4448 1 1 24 ASP C C -9.716 7.727 -3.575 1.00 . A A . 24 ASP C 1 1 11 4449 1 1 24 ASP CA C -8.367 7.039 -3.591 1.00 . A A . 24 ASP CA 1 1 11 4450 1 1 24 ASP CB C -8.436 5.577 -4.127 1.00 . A A . 24 ASP CB 1 1 11 4451 1 1 24 ASP CG C -9.352 4.638 -3.347 1.00 . A A . 24 ASP CG 1 1 11 4452 1 1 24 ASP H H -7.824 6.367 -1.683 1.00 . A A . 24 ASP H 1 1 11 4453 1 1 24 ASP HA H -7.735 7.622 -4.246 1.00 . A A . 24 ASP HA 1 1 11 4454 1 1 24 ASP HB2 H -8.777 5.593 -5.150 1.00 . A A . 24 ASP HB2 1 1 11 4455 1 1 24 ASP HB3 H -7.437 5.164 -4.110 1.00 . A A . 24 ASP HB3 1 1 11 4456 1 1 24 ASP N N -7.753 7.131 -2.287 1.00 . A A . 24 ASP N 1 1 11 4457 1 1 24 ASP O O -10.778 7.124 -3.445 1.00 . A A . 24 ASP O 1 1 11 4458 1 1 24 ASP OD1 O -9.142 4.438 -2.128 1.00 . A A . 24 ASP OD1 1 1 11 4459 1 1 24 ASP OD2 O -10.285 4.040 -3.960 1.00 . A A . 24 ASP OD2 1 1 11 4460 1 1 25 ALA C C -10.146 11.348 -3.791 1.00 . A A . 25 ALA C 1 1 11 4461 1 1 25 ALA CA C -10.714 9.965 -3.647 1.00 . A A . 25 ALA CA 1 1 11 4462 1 1 25 ALA CB C -11.554 9.874 -2.376 1.00 . A A . 25 ALA CB 1 1 11 4463 1 1 25 ALA H H -8.672 9.301 -3.656 1.00 . A A . 25 ALA H 1 1 11 4464 1 1 25 ALA HA H -11.323 9.755 -4.505 1.00 . A A . 25 ALA HA 1 1 11 4465 1 1 25 ALA HB1 H -10.937 10.113 -1.523 1.00 . A A . 25 ALA HB1 1 1 11 4466 1 1 25 ALA HB2 H -11.934 8.869 -2.271 1.00 . A A . 25 ALA HB2 1 1 11 4467 1 1 25 ALA HB3 H -12.377 10.569 -2.436 1.00 . A A . 25 ALA HB3 1 1 11 4468 1 1 25 ALA N N -9.609 9.014 -3.636 1.00 . A A . 25 ALA N 1 1 11 4469 1 1 25 ALA O O -10.716 12.222 -4.431 1.00 . A A . 25 ALA O 1 1 11 4470 1 1 26 SER C C -7.247 12.721 -4.402 1.00 . A A . 26 SER C 1 1 11 4471 1 1 26 SER CA C -8.257 12.767 -3.249 1.00 . A A . 26 SER CA 1 1 11 4472 1 1 26 SER CB C -7.540 12.927 -1.915 1.00 . A A . 26 SER CB 1 1 11 4473 1 1 26 SER H H -8.645 10.772 -2.686 1.00 . A A . 26 SER H 1 1 11 4474 1 1 26 SER HA H -8.936 13.589 -3.402 1.00 . A A . 26 SER HA 1 1 11 4475 1 1 26 SER HB2 H -6.713 12.237 -1.865 1.00 . A A . 26 SER HB2 1 1 11 4476 1 1 26 SER HB3 H -7.179 13.940 -1.814 1.00 . A A . 26 SER HB3 1 1 11 4477 1 1 26 SER HG H -9.303 13.026 -1.080 1.00 . A A . 26 SER HG 1 1 11 4478 1 1 26 SER N N -9.000 11.519 -3.208 1.00 . A A . 26 SER N 1 1 11 4479 1 1 26 SER O O -6.351 13.564 -4.519 1.00 . A A . 26 SER O 1 1 11 4480 1 1 26 SER OG O -8.444 12.653 -0.844 1.00 . A A . 26 SER OG 1 1 11 4481 1 1 27 ARG C C -7.284 10.567 -7.313 1.00 . A A . 27 ARG C 1 1 11 4482 1 1 27 ARG CA C -6.565 11.494 -6.361 1.00 . A A . 27 ARG CA 1 1 11 4483 1 1 27 ARG CB C -5.260 10.867 -5.859 1.00 . A A . 27 ARG CB 1 1 11 4484 1 1 27 ARG CD C -2.943 10.118 -6.327 1.00 . A A . 27 ARG CD 1 1 11 4485 1 1 27 ARG CG C -4.232 10.619 -6.930 1.00 . A A . 27 ARG CG 1 1 11 4486 1 1 27 ARG CZ C -0.618 9.905 -7.169 1.00 . A A . 27 ARG CZ 1 1 11 4487 1 1 27 ARG H H -8.221 11.170 -5.161 1.00 . A A . 27 ARG H 1 1 11 4488 1 1 27 ARG HA H -6.352 12.424 -6.860 1.00 . A A . 27 ARG HA 1 1 11 4489 1 1 27 ARG HB2 H -4.823 11.525 -5.122 1.00 . A A . 27 ARG HB2 1 1 11 4490 1 1 27 ARG HB3 H -5.492 9.925 -5.385 1.00 . A A . 27 ARG HB3 1 1 11 4491 1 1 27 ARG HD2 H -2.555 10.876 -5.666 1.00 . A A . 27 ARG HD2 1 1 11 4492 1 1 27 ARG HD3 H -3.159 9.223 -5.761 1.00 . A A . 27 ARG HD3 1 1 11 4493 1 1 27 ARG HE H -2.309 9.451 -8.184 1.00 . A A . 27 ARG HE 1 1 11 4494 1 1 27 ARG HG2 H -4.619 9.886 -7.622 1.00 . A A . 27 ARG HG2 1 1 11 4495 1 1 27 ARG HG3 H -4.048 11.550 -7.445 1.00 . A A . 27 ARG HG3 1 1 11 4496 1 1 27 ARG HH11 H -0.718 10.942 -5.406 1.00 . A A . 27 ARG HH11 1 1 11 4497 1 1 27 ARG HH12 H 0.860 10.646 -5.920 1.00 . A A . 27 ARG HH12 1 1 11 4498 1 1 27 ARG HH21 H -0.128 8.981 -8.934 1.00 . A A . 27 ARG HH21 1 1 11 4499 1 1 27 ARG HH22 H 1.196 9.501 -8.006 1.00 . A A . 27 ARG HH22 1 1 11 4500 1 1 27 ARG N N -7.432 11.743 -5.257 1.00 . A A . 27 ARG N 1 1 11 4501 1 1 27 ARG NE N -1.938 9.805 -7.338 1.00 . A A . 27 ARG NE 1 1 11 4502 1 1 27 ARG NH1 N -0.121 10.529 -6.100 1.00 . A A . 27 ARG NH1 1 1 11 4503 1 1 27 ARG NH2 N 0.200 9.428 -8.097 1.00 . A A . 27 ARG NH2 1 1 11 4504 1 1 27 ARG O O -8.039 9.692 -6.867 1.00 . A A . 27 ARG O 1 1 11 4505 1 1 28 GLY C C -6.823 9.754 -10.764 1.00 . A A . 28 GLY C 1 1 11 4506 1 1 28 GLY CA C -7.738 9.979 -9.590 1.00 . A A . 28 GLY CA 1 1 11 4507 1 1 28 GLY H H -6.531 11.532 -8.881 1.00 . A A . 28 GLY H 1 1 11 4508 1 1 28 GLY HA2 H -8.016 9.029 -9.158 1.00 . A A . 28 GLY HA2 1 1 11 4509 1 1 28 GLY HA3 H -8.625 10.488 -9.933 1.00 . A A . 28 GLY HA3 1 1 11 4510 1 1 28 GLY N N -7.104 10.788 -8.589 1.00 . A A . 28 GLY N 1 1 11 4511 1 1 28 GLY O O -7.160 10.086 -11.906 1.00 . A A . 28 GLY O 1 1 11 4512 1 1 29 THR C C -5.075 7.742 -12.348 1.00 . A A . 29 THR C 1 1 11 4513 1 1 29 THR CA C -4.669 8.958 -11.507 1.00 . A A . 29 THR CA 1 1 11 4514 1 1 29 THR CB C -3.303 8.690 -10.858 1.00 . A A . 29 THR CB 1 1 11 4515 1 1 29 THR CG2 C -2.191 8.813 -11.889 1.00 . A A . 29 THR CG2 1 1 11 4516 1 1 29 THR H H -5.476 8.937 -9.563 1.00 . A A . 29 THR H 1 1 11 4517 1 1 29 THR HA H -4.592 9.828 -12.140 1.00 . A A . 29 THR HA 1 1 11 4518 1 1 29 THR HB H -3.293 7.694 -10.438 1.00 . A A . 29 THR HB 1 1 11 4519 1 1 29 THR HG1 H -3.354 10.518 -10.168 1.00 . A A . 29 THR HG1 1 1 11 4520 1 1 29 THR HG21 H -2.209 9.804 -12.319 1.00 . A A . 29 THR HG21 1 1 11 4521 1 1 29 THR HG22 H -2.337 8.079 -12.670 1.00 . A A . 29 THR HG22 1 1 11 4522 1 1 29 THR HG23 H -1.237 8.648 -11.413 1.00 . A A . 29 THR HG23 1 1 11 4523 1 1 29 THR N N -5.664 9.205 -10.490 1.00 . A A . 29 THR N 1 1 11 4524 1 1 29 THR O O -5.149 7.814 -13.581 1.00 . A A . 29 THR O 1 1 11 4525 1 1 29 THR OG1 O -3.084 9.656 -9.822 1.00 . A A . 29 THR OG1 1 1 11 4526 1 1 30 ASN C C -7.058 4.879 -11.714 1.00 . A A . 30 ASN C 1 1 11 4527 1 1 30 ASN CA C -5.763 5.420 -12.348 1.00 . A A . 30 ASN CA 1 1 11 4528 1 1 30 ASN CB C -4.616 4.372 -12.397 1.00 . A A . 30 ASN CB 1 1 11 4529 1 1 30 ASN CG C -5.013 3.069 -13.089 1.00 . A A . 30 ASN CG 1 1 11 4530 1 1 30 ASN H H -5.343 6.662 -10.697 1.00 . A A . 30 ASN H 1 1 11 4531 1 1 30 ASN HA H -6.019 5.717 -13.354 1.00 . A A . 30 ASN HA 1 1 11 4532 1 1 30 ASN HB2 H -3.786 4.795 -12.942 1.00 . A A . 30 ASN HB2 1 1 11 4533 1 1 30 ASN HB3 H -4.291 4.146 -11.393 1.00 . A A . 30 ASN HB3 1 1 11 4534 1 1 30 ASN HD21 H -3.795 2.059 -11.915 1.00 . A A . 30 ASN HD21 1 1 11 4535 1 1 30 ASN HD22 H -4.669 1.120 -13.066 1.00 . A A . 30 ASN HD22 1 1 11 4536 1 1 30 ASN N N -5.359 6.649 -11.678 1.00 . A A . 30 ASN N 1 1 11 4537 1 1 30 ASN ND2 N -4.439 1.981 -12.654 1.00 . A A . 30 ASN ND2 1 1 11 4538 1 1 30 ASN O O -8.060 4.728 -12.422 1.00 . A A . 30 ASN O 1 1 11 4539 1 1 30 ASN OD1 O -5.838 3.052 -14.007 1.00 . A A . 30 ASN OD1 1 1 11 4540 1 1 31 PRO C C -9.144 5.530 -9.538 1.00 . A A . 31 PRO C 1 1 11 4541 1 1 31 PRO CA C -8.336 4.247 -9.723 1.00 . A A . 31 PRO CA 1 1 11 4542 1 1 31 PRO CB C -7.939 3.643 -8.376 1.00 . A A . 31 PRO CB 1 1 11 4543 1 1 31 PRO CD C -5.927 4.353 -9.470 1.00 . A A . 31 PRO CD 1 1 11 4544 1 1 31 PRO CG C -6.546 4.087 -8.129 1.00 . A A . 31 PRO CG 1 1 11 4545 1 1 31 PRO HA H -8.920 3.546 -10.302 1.00 . A A . 31 PRO HA 1 1 11 4546 1 1 31 PRO HB2 H -8.607 4.016 -7.614 1.00 . A A . 31 PRO HB2 1 1 11 4547 1 1 31 PRO HB3 H -8.007 2.567 -8.427 1.00 . A A . 31 PRO HB3 1 1 11 4548 1 1 31 PRO HD2 H -5.301 5.233 -9.440 1.00 . A A . 31 PRO HD2 1 1 11 4549 1 1 31 PRO HD3 H -5.347 3.494 -9.772 1.00 . A A . 31 PRO HD3 1 1 11 4550 1 1 31 PRO HG2 H -6.561 4.987 -7.534 1.00 . A A . 31 PRO HG2 1 1 11 4551 1 1 31 PRO HG3 H -6.003 3.311 -7.610 1.00 . A A . 31 PRO HG3 1 1 11 4552 1 1 31 PRO N N -7.084 4.546 -10.386 1.00 . A A . 31 PRO N 1 1 11 4553 1 1 31 PRO O O -10.174 5.685 -10.204 1.00 . A A . 31 PRO O 1 1 11 4554 1 1 31 PRO OXT O -8.696 6.438 -8.803 1.00 . A A . 31 PRO OXT 1 1 12 4555 1 1 1 ASP C C 1.458 15.957 2.106 1.00 . A A . 1 ASP C 1 1 12 4556 1 1 1 ASP CA C 1.910 16.678 3.348 1.00 . A A . 1 ASP CA 1 1 12 4557 1 1 1 ASP CB C 2.849 15.771 4.156 1.00 . A A . 1 ASP CB 1 1 12 4558 1 1 1 ASP CG C 2.258 14.422 4.499 1.00 . A A . 1 ASP CG 1 1 12 4559 1 1 1 ASP H1 H 1.005 17.578 5.001 1.00 . A A . 1 ASP H1 1 1 12 4560 1 1 1 ASP H2 H 0.189 16.235 4.373 1.00 . A A . 1 ASP H2 1 1 12 4561 1 1 1 ASP H3 H 0.137 17.686 3.552 1.00 . A A . 1 ASP H3 1 1 12 4562 1 1 1 ASP HA H 2.437 17.577 3.062 1.00 . A A . 1 ASP HA 1 1 12 4563 1 1 1 ASP HB2 H 3.749 15.599 3.583 1.00 . A A . 1 ASP HB2 1 1 12 4564 1 1 1 ASP HB3 H 3.112 16.270 5.076 1.00 . A A . 1 ASP HB3 1 1 12 4565 1 1 1 ASP N N 0.749 17.074 4.130 1.00 . A A . 1 ASP N 1 1 12 4566 1 1 1 ASP O O 0.399 15.303 2.099 1.00 . A A . 1 ASP O 1 1 12 4567 1 1 1 ASP OD1 O 2.742 13.396 3.990 1.00 . A A . 1 ASP OD1 1 1 12 4568 1 1 1 ASP OD2 O 1.326 14.363 5.313 1.00 . A A . 1 ASP OD2 1 1 12 4569 1 1 2 VAL C C 2.386 13.998 -0.109 1.00 . A A . 2 VAL C 1 1 12 4570 1 1 2 VAL CA C 1.946 15.444 -0.194 1.00 . A A . 2 VAL CA 1 1 12 4571 1 1 2 VAL CB C 2.648 16.153 -1.387 1.00 . A A . 2 VAL CB 1 1 12 4572 1 1 2 VAL CG1 C 2.328 15.463 -2.706 1.00 . A A . 2 VAL CG1 1 1 12 4573 1 1 2 VAL CG2 C 2.239 17.615 -1.447 1.00 . A A . 2 VAL CG2 1 1 12 4574 1 1 2 VAL H H 3.040 16.636 1.129 1.00 . A A . 2 VAL H 1 1 12 4575 1 1 2 VAL HA H 0.877 15.477 -0.342 1.00 . A A . 2 VAL HA 1 1 12 4576 1 1 2 VAL HB H 3.716 16.105 -1.229 1.00 . A A . 2 VAL HB 1 1 12 4577 1 1 2 VAL HG11 H 1.261 15.475 -2.862 1.00 . A A . 2 VAL HG11 1 1 12 4578 1 1 2 VAL HG12 H 2.676 14.441 -2.673 1.00 . A A . 2 VAL HG12 1 1 12 4579 1 1 2 VAL HG13 H 2.816 15.987 -3.515 1.00 . A A . 2 VAL HG13 1 1 12 4580 1 1 2 VAL HG21 H 2.541 18.108 -0.534 1.00 . A A . 2 VAL HG21 1 1 12 4581 1 1 2 VAL HG22 H 1.168 17.687 -1.556 1.00 . A A . 2 VAL HG22 1 1 12 4582 1 1 2 VAL HG23 H 2.719 18.091 -2.289 1.00 . A A . 2 VAL HG23 1 1 12 4583 1 1 2 VAL N N 2.229 16.088 1.056 1.00 . A A . 2 VAL N 1 1 12 4584 1 1 2 VAL O O 3.567 13.675 -0.240 1.00 . A A . 2 VAL O 1 1 12 4585 1 1 3 SER C C 1.373 11.094 -1.006 1.00 . A A . 3 SER C 1 1 12 4586 1 1 3 SER CA C 1.725 11.775 0.311 1.00 . A A . 3 SER CA 1 1 12 4587 1 1 3 SER CB C 0.882 11.221 1.474 1.00 . A A . 3 SER CB 1 1 12 4588 1 1 3 SER H H 0.541 13.485 0.267 1.00 . A A . 3 SER H 1 1 12 4589 1 1 3 SER HA H 2.773 11.646 0.536 1.00 . A A . 3 SER HA 1 1 12 4590 1 1 3 SER HB2 H 1.049 11.826 2.354 1.00 . A A . 3 SER HB2 1 1 12 4591 1 1 3 SER HB3 H -0.163 11.269 1.204 1.00 . A A . 3 SER HB3 1 1 12 4592 1 1 3 SER HG H 1.226 9.816 2.750 1.00 . A A . 3 SER HG 1 1 12 4593 1 1 3 SER N N 1.461 13.158 0.169 1.00 . A A . 3 SER N 1 1 12 4594 1 1 3 SER O O 0.278 11.323 -1.548 1.00 . A A . 3 SER O 1 1 12 4595 1 1 3 SER OG O 1.214 9.878 1.785 1.00 . A A . 3 SER OG 1 1 12 4596 1 1 4 PRO C C 0.877 8.631 -2.645 1.00 . A A . 4 PRO C 1 1 12 4597 1 1 4 PRO CA C 2.050 9.578 -2.826 1.00 . A A . 4 PRO CA 1 1 12 4598 1 1 4 PRO CB C 3.333 8.772 -3.043 1.00 . A A . 4 PRO CB 1 1 12 4599 1 1 4 PRO CD C 3.672 10.107 -1.091 1.00 . A A . 4 PRO CD 1 1 12 4600 1 1 4 PRO CG C 4.376 9.475 -2.254 1.00 . A A . 4 PRO CG 1 1 12 4601 1 1 4 PRO HA H 1.869 10.236 -3.662 1.00 . A A . 4 PRO HA 1 1 12 4602 1 1 4 PRO HB2 H 3.184 7.761 -2.693 1.00 . A A . 4 PRO HB2 1 1 12 4603 1 1 4 PRO HB3 H 3.572 8.762 -4.097 1.00 . A A . 4 PRO HB3 1 1 12 4604 1 1 4 PRO HD2 H 3.674 9.446 -0.238 1.00 . A A . 4 PRO HD2 1 1 12 4605 1 1 4 PRO HD3 H 4.143 11.048 -0.847 1.00 . A A . 4 PRO HD3 1 1 12 4606 1 1 4 PRO HG2 H 5.113 8.766 -1.907 1.00 . A A . 4 PRO HG2 1 1 12 4607 1 1 4 PRO HG3 H 4.847 10.231 -2.864 1.00 . A A . 4 PRO HG3 1 1 12 4608 1 1 4 PRO N N 2.303 10.319 -1.589 1.00 . A A . 4 PRO N 1 1 12 4609 1 1 4 PRO O O 0.809 7.903 -1.665 1.00 . A A . 4 PRO O 1 1 12 4610 1 1 5 CYS C C -0.978 6.574 -4.249 1.00 . A A . 5 CYS C 1 1 12 4611 1 1 5 CYS CA C -1.200 7.818 -3.438 1.00 . A A . 5 CYS CA 1 1 12 4612 1 1 5 CYS CB C -2.437 8.532 -3.951 1.00 . A A . 5 CYS CB 1 1 12 4613 1 1 5 CYS H H 0.048 9.237 -4.335 1.00 . A A . 5 CYS H 1 1 12 4614 1 1 5 CYS HA H -1.347 7.557 -2.401 1.00 . A A . 5 CYS HA 1 1 12 4615 1 1 5 CYS HB2 H -2.556 9.489 -3.466 1.00 . A A . 5 CYS HB2 1 1 12 4616 1 1 5 CYS HB3 H -2.279 8.668 -5.012 1.00 . A A . 5 CYS HB3 1 1 12 4617 1 1 5 CYS N N -0.046 8.661 -3.547 1.00 . A A . 5 CYS N 1 1 12 4618 1 1 5 CYS O O -0.828 6.643 -5.482 1.00 . A A . 5 CYS O 1 1 12 4619 1 1 5 CYS SG S -3.985 7.585 -3.759 1.00 . A A . 5 CYS SG 1 1 12 4620 1 1 6 PHE C C -1.751 3.251 -3.764 1.00 . A A . 6 PHE C 1 1 12 4621 1 1 6 PHE CA C -0.756 4.234 -4.308 1.00 . A A . 6 PHE CA 1 1 12 4622 1 1 6 PHE CB C 0.668 3.700 -4.189 1.00 . A A . 6 PHE CB 1 1 12 4623 1 1 6 PHE CD1 C 1.060 1.351 -4.983 1.00 . A A . 6 PHE CD1 1 1 12 4624 1 1 6 PHE CD2 C 1.201 3.139 -6.546 1.00 . A A . 6 PHE CD2 1 1 12 4625 1 1 6 PHE CE1 C 1.336 0.450 -5.992 1.00 . A A . 6 PHE CE1 1 1 12 4626 1 1 6 PHE CE2 C 1.477 2.255 -7.553 1.00 . A A . 6 PHE CE2 1 1 12 4627 1 1 6 PHE CG C 0.991 2.705 -5.254 1.00 . A A . 6 PHE CG 1 1 12 4628 1 1 6 PHE CZ C 1.546 0.903 -7.282 1.00 . A A . 6 PHE CZ 1 1 12 4629 1 1 6 PHE H H -0.960 5.440 -2.620 1.00 . A A . 6 PHE H 1 1 12 4630 1 1 6 PHE HA H -0.981 4.424 -5.347 1.00 . A A . 6 PHE HA 1 1 12 4631 1 1 6 PHE HB2 H 1.363 4.523 -4.271 1.00 . A A . 6 PHE HB2 1 1 12 4632 1 1 6 PHE HB3 H 0.790 3.221 -3.230 1.00 . A A . 6 PHE HB3 1 1 12 4633 1 1 6 PHE HD1 H 0.896 1.000 -3.975 1.00 . A A . 6 PHE HD1 1 1 12 4634 1 1 6 PHE HD2 H 1.148 4.196 -6.760 1.00 . A A . 6 PHE HD2 1 1 12 4635 1 1 6 PHE HE1 H 1.387 -0.606 -5.773 1.00 . A A . 6 PHE HE1 1 1 12 4636 1 1 6 PHE HE2 H 1.633 2.642 -8.549 1.00 . A A . 6 PHE HE2 1 1 12 4637 1 1 6 PHE HZ H 1.763 0.202 -8.074 1.00 . A A . 6 PHE HZ 1 1 12 4638 1 1 6 PHE N N -0.906 5.458 -3.600 1.00 . A A . 6 PHE N 1 1 12 4639 1 1 6 PHE O O -1.969 3.198 -2.554 1.00 . A A . 6 PHE O 1 1 12 4640 1 1 7 CYS C C -2.974 0.195 -4.722 1.00 . A A . 7 CYS C 1 1 12 4641 1 1 7 CYS CA C -3.371 1.563 -4.236 1.00 . A A . 7 CYS CA 1 1 12 4642 1 1 7 CYS CB C -4.735 1.951 -4.784 1.00 . A A . 7 CYS CB 1 1 12 4643 1 1 7 CYS H H -2.174 2.607 -5.590 1.00 . A A . 7 CYS H 1 1 12 4644 1 1 7 CYS HA H -3.415 1.541 -3.160 1.00 . A A . 7 CYS HA 1 1 12 4645 1 1 7 CYS HB2 H -4.714 1.842 -5.857 1.00 . A A . 7 CYS HB2 1 1 12 4646 1 1 7 CYS HB3 H -5.480 1.283 -4.377 1.00 . A A . 7 CYS HB3 1 1 12 4647 1 1 7 CYS N N -2.379 2.521 -4.633 1.00 . A A . 7 CYS N 1 1 12 4648 1 1 7 CYS O O -2.341 0.061 -5.776 1.00 . A A . 7 CYS O 1 1 12 4649 1 1 7 CYS SG S -5.240 3.668 -4.390 1.00 . A A . 7 CYS SG 1 1 12 4650 1 1 8 VAL C C -4.186 -3.004 -3.894 1.00 . A A . 8 VAL C 1 1 12 4651 1 1 8 VAL CA C -2.976 -2.178 -4.263 1.00 . A A . 8 VAL CA 1 1 12 4652 1 1 8 VAL CB C -1.750 -2.695 -3.419 1.00 . A A . 8 VAL CB 1 1 12 4653 1 1 8 VAL CG1 C -1.270 -4.061 -3.899 1.00 . A A . 8 VAL CG1 1 1 12 4654 1 1 8 VAL CG2 C -0.592 -1.703 -3.404 1.00 . A A . 8 VAL CG2 1 1 12 4655 1 1 8 VAL H H -3.856 -0.654 -3.150 1.00 . A A . 8 VAL H 1 1 12 4656 1 1 8 VAL HA H -2.764 -2.268 -5.319 1.00 . A A . 8 VAL HA 1 1 12 4657 1 1 8 VAL HB H -2.107 -2.827 -2.409 1.00 . A A . 8 VAL HB 1 1 12 4658 1 1 8 VAL HG11 H -0.958 -3.991 -4.930 1.00 . A A . 8 VAL HG11 1 1 12 4659 1 1 8 VAL HG12 H -2.077 -4.774 -3.817 1.00 . A A . 8 VAL HG12 1 1 12 4660 1 1 8 VAL HG13 H -0.438 -4.385 -3.292 1.00 . A A . 8 VAL HG13 1 1 12 4661 1 1 8 VAL HG21 H -0.252 -1.534 -4.415 1.00 . A A . 8 VAL HG21 1 1 12 4662 1 1 8 VAL HG22 H 0.218 -2.104 -2.813 1.00 . A A . 8 VAL HG22 1 1 12 4663 1 1 8 VAL HG23 H -0.925 -0.770 -2.975 1.00 . A A . 8 VAL HG23 1 1 12 4664 1 1 8 VAL N N -3.314 -0.809 -3.956 1.00 . A A . 8 VAL N 1 1 12 4665 1 1 8 VAL O O -4.955 -2.612 -2.998 1.00 . A A . 8 VAL O 1 1 12 4666 1 1 9 GLU C C -5.025 -5.898 -3.168 1.00 . A A . 9 GLU C 1 1 12 4667 1 1 9 GLU CA C -5.483 -4.947 -4.258 1.00 . A A . 9 GLU CA 1 1 12 4668 1 1 9 GLU CB C -5.961 -5.684 -5.509 1.00 . A A . 9 GLU CB 1 1 12 4669 1 1 9 GLU CD C -7.791 -6.995 -6.619 1.00 . A A . 9 GLU CD 1 1 12 4670 1 1 9 GLU CG C -7.286 -6.396 -5.334 1.00 . A A . 9 GLU CG 1 1 12 4671 1 1 9 GLU H H -3.765 -4.331 -5.286 1.00 . A A . 9 GLU H 1 1 12 4672 1 1 9 GLU HA H -6.283 -4.341 -3.863 1.00 . A A . 9 GLU HA 1 1 12 4673 1 1 9 GLU HB2 H -6.064 -4.972 -6.315 1.00 . A A . 9 GLU HB2 1 1 12 4674 1 1 9 GLU HB3 H -5.216 -6.417 -5.784 1.00 . A A . 9 GLU HB3 1 1 12 4675 1 1 9 GLU HG2 H -7.165 -7.183 -4.605 1.00 . A A . 9 GLU HG2 1 1 12 4676 1 1 9 GLU HG3 H -8.013 -5.685 -4.970 1.00 . A A . 9 GLU HG3 1 1 12 4677 1 1 9 GLU N N -4.391 -4.090 -4.570 1.00 . A A . 9 GLU N 1 1 12 4678 1 1 9 GLU O O -4.206 -6.792 -3.410 1.00 . A A . 9 GLU O 1 1 12 4679 1 1 9 GLU OE1 O -8.415 -6.266 -7.438 1.00 . A A . 9 GLU OE1 1 1 12 4680 1 1 9 GLU OE2 O -7.601 -8.199 -6.838 1.00 . A A . 9 GLU OE2 1 1 12 4681 1 1 10 ASP C C -5.729 -7.778 -0.895 1.00 . A A . 10 ASP C 1 1 12 4682 1 1 10 ASP CA C -5.103 -6.430 -0.817 1.00 . A A . 10 ASP CA 1 1 12 4683 1 1 10 ASP CB C -5.475 -5.739 0.493 1.00 . A A . 10 ASP CB 1 1 12 4684 1 1 10 ASP CG C -4.932 -6.477 1.692 1.00 . A A . 10 ASP CG 1 1 12 4685 1 1 10 ASP H H -6.177 -4.963 -1.833 1.00 . A A . 10 ASP H 1 1 12 4686 1 1 10 ASP HA H -4.034 -6.573 -0.848 1.00 . A A . 10 ASP HA 1 1 12 4687 1 1 10 ASP HB2 H -5.066 -4.740 0.495 1.00 . A A . 10 ASP HB2 1 1 12 4688 1 1 10 ASP HB3 H -6.551 -5.687 0.577 1.00 . A A . 10 ASP HB3 1 1 12 4689 1 1 10 ASP N N -5.502 -5.660 -1.965 1.00 . A A . 10 ASP N 1 1 12 4690 1 1 10 ASP O O -6.955 -7.910 -0.906 1.00 . A A . 10 ASP O 1 1 12 4691 1 1 10 ASP OD1 O -3.807 -6.185 2.116 1.00 . A A . 10 ASP OD1 1 1 12 4692 1 1 10 ASP OD2 O -5.599 -7.380 2.203 1.00 . A A . 10 ASP OD2 1 1 12 4693 1 1 11 GLU C C -5.911 -10.762 0.079 1.00 . A A . 11 GLU C 1 1 12 4694 1 1 11 GLU CA C -5.241 -10.154 -1.141 1.00 . A A . 11 GLU CA 1 1 12 4695 1 1 11 GLU CB C -3.980 -10.931 -1.461 1.00 . A A . 11 GLU CB 1 1 12 4696 1 1 11 GLU CD C -1.889 -11.039 -2.828 1.00 . A A . 11 GLU CD 1 1 12 4697 1 1 11 GLU CG C -3.240 -10.411 -2.673 1.00 . A A . 11 GLU CG 1 1 12 4698 1 1 11 GLU H H -3.939 -8.513 -0.832 1.00 . A A . 11 GLU H 1 1 12 4699 1 1 11 GLU HA H -5.899 -10.221 -1.994 1.00 . A A . 11 GLU HA 1 1 12 4700 1 1 11 GLU HB2 H -3.318 -10.881 -0.610 1.00 . A A . 11 GLU HB2 1 1 12 4701 1 1 11 GLU HB3 H -4.244 -11.962 -1.641 1.00 . A A . 11 GLU HB3 1 1 12 4702 1 1 11 GLU HG2 H -3.825 -10.627 -3.554 1.00 . A A . 11 GLU HG2 1 1 12 4703 1 1 11 GLU HG3 H -3.119 -9.341 -2.576 1.00 . A A . 11 GLU HG3 1 1 12 4704 1 1 11 GLU N N -4.881 -8.758 -0.937 1.00 . A A . 11 GLU N 1 1 12 4705 1 1 11 GLU O O -6.556 -11.812 -0.010 1.00 . A A . 11 GLU O 1 1 12 4706 1 1 11 GLU OE1 O -0.901 -10.449 -2.350 1.00 . A A . 11 GLU OE1 1 1 12 4707 1 1 11 GLU OE2 O -1.790 -12.134 -3.421 1.00 . A A . 11 GLU OE2 1 1 12 4708 1 1 12 THR C C -7.707 -10.044 2.665 1.00 . A A . 12 THR C 1 1 12 4709 1 1 12 THR CA C -6.318 -10.642 2.418 1.00 . A A . 12 THR CA 1 1 12 4710 1 1 12 THR CB C -5.356 -10.322 3.565 1.00 . A A . 12 THR CB 1 1 12 4711 1 1 12 THR CG2 C -5.735 -11.072 4.822 1.00 . A A . 12 THR CG2 1 1 12 4712 1 1 12 THR H H -5.287 -9.268 1.221 1.00 . A A . 12 THR H 1 1 12 4713 1 1 12 THR HA H -6.405 -11.715 2.322 1.00 . A A . 12 THR HA 1 1 12 4714 1 1 12 THR HB H -5.366 -9.258 3.748 1.00 . A A . 12 THR HB 1 1 12 4715 1 1 12 THR HG1 H -3.413 -10.069 3.475 1.00 . A A . 12 THR HG1 1 1 12 4716 1 1 12 THR HG21 H -5.682 -12.134 4.636 1.00 . A A . 12 THR HG21 1 1 12 4717 1 1 12 THR HG22 H -6.742 -10.807 5.106 1.00 . A A . 12 THR HG22 1 1 12 4718 1 1 12 THR HG23 H -5.051 -10.811 5.617 1.00 . A A . 12 THR HG23 1 1 12 4719 1 1 12 THR N N -5.771 -10.124 1.197 1.00 . A A . 12 THR N 1 1 12 4720 1 1 12 THR O O -8.658 -10.748 3.021 1.00 . A A . 12 THR O 1 1 12 4721 1 1 12 THR OG1 O -4.037 -10.734 3.158 1.00 . A A . 12 THR OG1 1 1 12 4722 1 1 13 SER C C -9.938 -8.325 1.343 1.00 . A A . 13 SER C 1 1 12 4723 1 1 13 SER CA C -9.041 -8.044 2.554 1.00 . A A . 13 SER CA 1 1 12 4724 1 1 13 SER CB C -8.704 -6.547 2.660 1.00 . A A . 13 SER CB 1 1 12 4725 1 1 13 SER H H -7.007 -8.267 2.141 1.00 . A A . 13 SER H 1 1 12 4726 1 1 13 SER HA H -9.546 -8.353 3.451 1.00 . A A . 13 SER HA 1 1 12 4727 1 1 13 SER HB2 H -7.867 -6.409 3.327 1.00 . A A . 13 SER HB2 1 1 12 4728 1 1 13 SER HB3 H -8.431 -6.218 1.671 1.00 . A A . 13 SER HB3 1 1 12 4729 1 1 13 SER HG H -9.591 -5.579 4.047 1.00 . A A . 13 SER HG 1 1 12 4730 1 1 13 SER N N -7.819 -8.767 2.403 1.00 . A A . 13 SER N 1 1 12 4731 1 1 13 SER O O -11.170 -8.365 1.449 1.00 . A A . 13 SER O 1 1 12 4732 1 1 13 SER OG O -9.793 -5.765 3.119 1.00 . A A . 13 SER OG 1 1 12 4733 1 1 14 GLY C C -10.508 -7.572 -1.631 1.00 . A A . 14 GLY C 1 1 12 4734 1 1 14 GLY CA C -10.027 -8.845 -1.012 1.00 . A A . 14 GLY CA 1 1 12 4735 1 1 14 GLY H H -8.328 -8.560 0.177 1.00 . A A . 14 GLY H 1 1 12 4736 1 1 14 GLY HA2 H -9.367 -9.344 -1.705 1.00 . A A . 14 GLY HA2 1 1 12 4737 1 1 14 GLY HA3 H -10.876 -9.477 -0.801 1.00 . A A . 14 GLY HA3 1 1 12 4738 1 1 14 GLY N N -9.309 -8.572 0.211 1.00 . A A . 14 GLY N 1 1 12 4739 1 1 14 GLY O O -11.525 -7.547 -2.326 1.00 . A A . 14 GLY O 1 1 12 4740 1 1 15 ALA C C -8.985 -4.297 -2.013 1.00 . A A . 15 ALA C 1 1 12 4741 1 1 15 ALA CA C -10.179 -5.202 -1.846 1.00 . A A . 15 ALA CA 1 1 12 4742 1 1 15 ALA CB C -11.169 -4.573 -0.867 1.00 . A A . 15 ALA CB 1 1 12 4743 1 1 15 ALA H H -8.935 -6.622 -0.886 1.00 . A A . 15 ALA H 1 1 12 4744 1 1 15 ALA HA H -10.679 -5.318 -2.796 1.00 . A A . 15 ALA HA 1 1 12 4745 1 1 15 ALA HB1 H -12.019 -5.228 -0.743 1.00 . A A . 15 ALA HB1 1 1 12 4746 1 1 15 ALA HB2 H -11.502 -3.620 -1.251 1.00 . A A . 15 ALA HB2 1 1 12 4747 1 1 15 ALA HB3 H -10.686 -4.428 0.088 1.00 . A A . 15 ALA HB3 1 1 12 4748 1 1 15 ALA N N -9.779 -6.509 -1.380 1.00 . A A . 15 ALA N 1 1 12 4749 1 1 15 ALA O O -7.958 -4.475 -1.354 1.00 . A A . 15 ALA O 1 1 12 4750 1 1 16 LYS C C -8.087 -1.379 -1.983 1.00 . A A . 16 LYS C 1 1 12 4751 1 1 16 LYS CA C -8.104 -2.345 -3.119 1.00 . A A . 16 LYS CA 1 1 12 4752 1 1 16 LYS CB C -8.294 -1.620 -4.452 1.00 . A A . 16 LYS CB 1 1 12 4753 1 1 16 LYS CD C -8.156 -1.789 -6.978 1.00 . A A . 16 LYS CD 1 1 12 4754 1 1 16 LYS CE C -9.650 -1.962 -7.237 1.00 . A A . 16 LYS CE 1 1 12 4755 1 1 16 LYS CG C -7.735 -2.382 -5.637 1.00 . A A . 16 LYS CG 1 1 12 4756 1 1 16 LYS H H -9.929 -3.336 -3.447 1.00 . A A . 16 LYS H 1 1 12 4757 1 1 16 LYS HA H -7.143 -2.832 -3.127 1.00 . A A . 16 LYS HA 1 1 12 4758 1 1 16 LYS HB2 H -9.350 -1.461 -4.610 1.00 . A A . 16 LYS HB2 1 1 12 4759 1 1 16 LYS HB3 H -7.800 -0.660 -4.400 1.00 . A A . 16 LYS HB3 1 1 12 4760 1 1 16 LYS HD2 H -7.928 -0.733 -6.970 1.00 . A A . 16 LYS HD2 1 1 12 4761 1 1 16 LYS HD3 H -7.596 -2.268 -7.768 1.00 . A A . 16 LYS HD3 1 1 12 4762 1 1 16 LYS HE2 H -9.903 -3.006 -7.134 1.00 . A A . 16 LYS HE2 1 1 12 4763 1 1 16 LYS HE3 H -10.206 -1.385 -6.512 1.00 . A A . 16 LYS HE3 1 1 12 4764 1 1 16 LYS HG2 H -6.657 -2.337 -5.572 1.00 . A A . 16 LYS HG2 1 1 12 4765 1 1 16 LYS HG3 H -8.038 -3.414 -5.572 1.00 . A A . 16 LYS HG3 1 1 12 4766 1 1 16 LYS HZ1 H -11.050 -1.684 -8.738 1.00 . A A . 16 LYS HZ1 1 1 12 4767 1 1 16 LYS HZ2 H -9.520 -2.065 -9.318 1.00 . A A . 16 LYS HZ2 1 1 12 4768 1 1 16 LYS HZ3 H -9.841 -0.514 -8.733 1.00 . A A . 16 LYS HZ3 1 1 12 4769 1 1 16 LYS N N -9.111 -3.353 -2.908 1.00 . A A . 16 LYS N 1 1 12 4770 1 1 16 LYS NZ N -10.033 -1.527 -8.591 1.00 . A A . 16 LYS NZ 1 1 12 4771 1 1 16 LYS O O -9.123 -0.821 -1.604 1.00 . A A . 16 LYS O 1 1 12 4772 1 1 17 THR C C -5.535 0.527 -0.778 1.00 . A A . 17 THR C 1 1 12 4773 1 1 17 THR CA C -6.710 -0.337 -0.362 1.00 . A A . 17 THR CA 1 1 12 4774 1 1 17 THR CB C -6.432 -1.112 0.970 1.00 . A A . 17 THR CB 1 1 12 4775 1 1 17 THR CG2 C -5.167 -1.958 0.877 1.00 . A A . 17 THR CG2 1 1 12 4776 1 1 17 THR H H -6.164 -1.730 -1.770 1.00 . A A . 17 THR H 1 1 12 4777 1 1 17 THR HA H -7.587 0.283 -0.253 1.00 . A A . 17 THR HA 1 1 12 4778 1 1 17 THR HB H -7.276 -1.762 1.149 1.00 . A A . 17 THR HB 1 1 12 4779 1 1 17 THR HG1 H -7.177 0.266 2.106 1.00 . A A . 17 THR HG1 1 1 12 4780 1 1 17 THR HG21 H -5.272 -2.666 0.067 1.00 . A A . 17 THR HG21 1 1 12 4781 1 1 17 THR HG22 H -5.015 -2.490 1.805 1.00 . A A . 17 THR HG22 1 1 12 4782 1 1 17 THR HG23 H -4.321 -1.316 0.684 1.00 . A A . 17 THR HG23 1 1 12 4783 1 1 17 THR N N -6.940 -1.228 -1.432 1.00 . A A . 17 THR N 1 1 12 4784 1 1 17 THR O O -4.713 0.103 -1.616 1.00 . A A . 17 THR O 1 1 12 4785 1 1 17 THR OG1 O -6.332 -0.205 2.082 1.00 . A A . 17 THR OG1 1 1 12 4786 1 1 18 CYS C C -3.566 2.994 0.456 1.00 . A A . 18 CYS C 1 1 12 4787 1 1 18 CYS CA C -4.441 2.607 -0.703 1.00 . A A . 18 CYS CA 1 1 12 4788 1 1 18 CYS CB C -5.040 3.849 -1.346 1.00 . A A . 18 CYS CB 1 1 12 4789 1 1 18 CYS H H -6.139 2.018 0.368 1.00 . A A . 18 CYS H 1 1 12 4790 1 1 18 CYS HA H -3.831 2.106 -1.436 1.00 . A A . 18 CYS HA 1 1 12 4791 1 1 18 CYS HB2 H -5.497 4.452 -0.578 1.00 . A A . 18 CYS HB2 1 1 12 4792 1 1 18 CYS HB3 H -4.240 4.420 -1.793 1.00 . A A . 18 CYS HB3 1 1 12 4793 1 1 18 CYS N N -5.476 1.717 -0.291 1.00 . A A . 18 CYS N 1 1 12 4794 1 1 18 CYS O O -3.907 2.761 1.619 1.00 . A A . 18 CYS O 1 1 12 4795 1 1 18 CYS SG S -6.277 3.506 -2.653 1.00 . A A . 18 CYS SG 1 1 12 4796 1 1 19 VAL C C -1.231 5.531 0.701 1.00 . A A . 19 VAL C 1 1 12 4797 1 1 19 VAL CA C -1.514 4.082 1.102 1.00 . A A . 19 VAL CA 1 1 12 4798 1 1 19 VAL CB C -0.170 3.287 1.133 1.00 . A A . 19 VAL CB 1 1 12 4799 1 1 19 VAL CG1 C 0.757 3.834 2.212 1.00 . A A . 19 VAL CG1 1 1 12 4800 1 1 19 VAL CG2 C -0.406 1.796 1.347 1.00 . A A . 19 VAL CG2 1 1 12 4801 1 1 19 VAL H H -2.204 3.621 -0.816 1.00 . A A . 19 VAL H 1 1 12 4802 1 1 19 VAL HA H -1.987 4.046 2.072 1.00 . A A . 19 VAL HA 1 1 12 4803 1 1 19 VAL HB H 0.316 3.426 0.178 1.00 . A A . 19 VAL HB 1 1 12 4804 1 1 19 VAL HG11 H 1.676 3.267 2.217 1.00 . A A . 19 VAL HG11 1 1 12 4805 1 1 19 VAL HG12 H 0.277 3.750 3.176 1.00 . A A . 19 VAL HG12 1 1 12 4806 1 1 19 VAL HG13 H 0.975 4.873 2.007 1.00 . A A . 19 VAL HG13 1 1 12 4807 1 1 19 VAL HG21 H -0.904 1.642 2.292 1.00 . A A . 19 VAL HG21 1 1 12 4808 1 1 19 VAL HG22 H 0.541 1.276 1.351 1.00 . A A . 19 VAL HG22 1 1 12 4809 1 1 19 VAL HG23 H -1.023 1.412 0.548 1.00 . A A . 19 VAL HG23 1 1 12 4810 1 1 19 VAL N N -2.436 3.553 0.138 1.00 . A A . 19 VAL N 1 1 12 4811 1 1 19 VAL O O -0.640 5.762 -0.362 1.00 . A A . 19 VAL O 1 1 12 4812 1 1 20 PRO C C -3.942 5.854 2.365 1.00 . A A . 20 PRO C 1 1 12 4813 1 1 20 PRO CA C -2.517 6.304 2.692 1.00 . A A . 20 PRO CA 1 1 12 4814 1 1 20 PRO CB C -2.549 7.672 3.364 1.00 . A A . 20 PRO CB 1 1 12 4815 1 1 20 PRO CD C -1.496 7.969 1.233 1.00 . A A . 20 PRO CD 1 1 12 4816 1 1 20 PRO CG C -2.367 8.647 2.257 1.00 . A A . 20 PRO CG 1 1 12 4817 1 1 20 PRO HA H -2.053 5.584 3.350 1.00 . A A . 20 PRO HA 1 1 12 4818 1 1 20 PRO HB2 H -3.502 7.798 3.856 1.00 . A A . 20 PRO HB2 1 1 12 4819 1 1 20 PRO HB3 H -1.754 7.729 4.091 1.00 . A A . 20 PRO HB3 1 1 12 4820 1 1 20 PRO HD2 H -1.802 8.236 0.233 1.00 . A A . 20 PRO HD2 1 1 12 4821 1 1 20 PRO HD3 H -0.460 8.233 1.392 1.00 . A A . 20 PRO HD3 1 1 12 4822 1 1 20 PRO HG2 H -3.332 8.893 1.839 1.00 . A A . 20 PRO HG2 1 1 12 4823 1 1 20 PRO HG3 H -1.892 9.543 2.626 1.00 . A A . 20 PRO HG3 1 1 12 4824 1 1 20 PRO N N -1.712 6.531 1.481 1.00 . A A . 20 PRO N 1 1 12 4825 1 1 20 PRO O O -4.435 6.046 1.236 1.00 . A A . 20 PRO O 1 1 12 4826 1 1 21 ASP C C -6.902 5.811 2.755 1.00 . A A . 21 ASP C 1 1 12 4827 1 1 21 ASP CA C -5.939 4.723 3.171 1.00 . A A . 21 ASP CA 1 1 12 4828 1 1 21 ASP CB C -6.417 4.032 4.453 1.00 . A A . 21 ASP CB 1 1 12 4829 1 1 21 ASP CG C -7.854 3.531 4.380 1.00 . A A . 21 ASP CG 1 1 12 4830 1 1 21 ASP H H -4.165 5.219 4.226 1.00 . A A . 21 ASP H 1 1 12 4831 1 1 21 ASP HA H -5.890 3.991 2.378 1.00 . A A . 21 ASP HA 1 1 12 4832 1 1 21 ASP HB2 H -5.776 3.191 4.670 1.00 . A A . 21 ASP HB2 1 1 12 4833 1 1 21 ASP HB3 H -6.349 4.747 5.258 1.00 . A A . 21 ASP HB3 1 1 12 4834 1 1 21 ASP N N -4.593 5.266 3.343 1.00 . A A . 21 ASP N 1 1 12 4835 1 1 21 ASP O O -6.940 6.884 3.366 1.00 . A A . 21 ASP O 1 1 12 4836 1 1 21 ASP OD1 O -8.098 2.430 3.859 1.00 . A A . 21 ASP OD1 1 1 12 4837 1 1 21 ASP OD2 O -8.757 4.225 4.892 1.00 . A A . 21 ASP OD2 1 1 12 4838 1 1 22 ASN C C -7.977 7.676 0.465 1.00 . A A . 22 ASN C 1 1 12 4839 1 1 22 ASN CA C -8.599 6.435 1.104 1.00 . A A . 22 ASN CA 1 1 12 4840 1 1 22 ASN CB C -9.722 6.820 2.073 1.00 . A A . 22 ASN CB 1 1 12 4841 1 1 22 ASN CG C -10.609 5.658 2.486 1.00 . A A . 22 ASN CG 1 1 12 4842 1 1 22 ASN H H -7.568 4.657 1.282 1.00 . A A . 22 ASN H 1 1 12 4843 1 1 22 ASN HA H -9.046 5.873 0.297 1.00 . A A . 22 ASN HA 1 1 12 4844 1 1 22 ASN HB2 H -9.301 7.270 2.958 1.00 . A A . 22 ASN HB2 1 1 12 4845 1 1 22 ASN HB3 H -10.326 7.542 1.554 1.00 . A A . 22 ASN HB3 1 1 12 4846 1 1 22 ASN HD21 H -11.061 6.558 4.190 1.00 . A A . 22 ASN HD21 1 1 12 4847 1 1 22 ASN HD22 H -11.783 5.015 3.927 1.00 . A A . 22 ASN HD22 1 1 12 4848 1 1 22 ASN N N -7.632 5.541 1.699 1.00 . A A . 22 ASN N 1 1 12 4849 1 1 22 ASN ND2 N -11.204 5.755 3.644 1.00 . A A . 22 ASN ND2 1 1 12 4850 1 1 22 ASN O O -8.654 8.696 0.322 1.00 . A A . 22 ASN O 1 1 12 4851 1 1 22 ASN OD1 O -10.777 4.682 1.747 1.00 . A A . 22 ASN OD1 1 1 12 4852 1 1 23 CYS C C -6.850 8.832 -2.034 1.00 . A A . 23 CYS C 1 1 12 4853 1 1 23 CYS CA C -6.117 8.732 -0.710 1.00 . A A . 23 CYS CA 1 1 12 4854 1 1 23 CYS CB C -4.594 8.591 -0.927 1.00 . A A . 23 CYS CB 1 1 12 4855 1 1 23 CYS H H -6.121 6.852 0.307 1.00 . A A . 23 CYS H 1 1 12 4856 1 1 23 CYS HA H -6.336 9.632 -0.162 1.00 . A A . 23 CYS HA 1 1 12 4857 1 1 23 CYS HB2 H -4.263 9.422 -1.531 1.00 . A A . 23 CYS HB2 1 1 12 4858 1 1 23 CYS HB3 H -4.096 8.630 0.030 1.00 . A A . 23 CYS HB3 1 1 12 4859 1 1 23 CYS N N -6.693 7.613 0.063 1.00 . A A . 23 CYS N 1 1 12 4860 1 1 23 CYS O O -7.225 9.909 -2.497 1.00 . A A . 23 CYS O 1 1 12 4861 1 1 23 CYS SG S -4.044 7.066 -1.786 1.00 . A A . 23 CYS SG 1 1 12 4862 1 1 24 ASP C C -9.161 6.959 -3.364 1.00 . A A . 24 ASP C 1 1 12 4863 1 1 24 ASP CA C -7.837 7.529 -3.788 1.00 . A A . 24 ASP CA 1 1 12 4864 1 1 24 ASP CB C -7.149 6.632 -4.818 1.00 . A A . 24 ASP CB 1 1 12 4865 1 1 24 ASP CG C -7.998 6.375 -6.036 1.00 . A A . 24 ASP CG 1 1 12 4866 1 1 24 ASP H H -6.630 6.924 -2.193 1.00 . A A . 24 ASP H 1 1 12 4867 1 1 24 ASP HA H -8.005 8.509 -4.211 1.00 . A A . 24 ASP HA 1 1 12 4868 1 1 24 ASP HB2 H -6.232 7.103 -5.140 1.00 . A A . 24 ASP HB2 1 1 12 4869 1 1 24 ASP HB3 H -6.914 5.684 -4.356 1.00 . A A . 24 ASP HB3 1 1 12 4870 1 1 24 ASP N N -7.044 7.699 -2.614 1.00 . A A . 24 ASP N 1 1 12 4871 1 1 24 ASP O O -9.346 5.748 -3.297 1.00 . A A . 24 ASP O 1 1 12 4872 1 1 24 ASP OD1 O -8.530 5.271 -6.175 1.00 . A A . 24 ASP OD1 1 1 12 4873 1 1 24 ASP OD2 O -8.146 7.280 -6.886 1.00 . A A . 24 ASP OD2 1 1 12 4874 1 1 25 ALA C C -12.337 7.803 -3.512 1.00 . A A . 25 ALA C 1 1 12 4875 1 1 25 ALA CA C -11.320 7.421 -2.484 1.00 . A A . 25 ALA CA 1 1 12 4876 1 1 25 ALA CB C -11.647 8.032 -1.139 1.00 . A A . 25 ALA CB 1 1 12 4877 1 1 25 ALA H H -9.692 8.744 -2.852 1.00 . A A . 25 ALA H 1 1 12 4878 1 1 25 ALA HA H -11.331 6.352 -2.389 1.00 . A A . 25 ALA HA 1 1 12 4879 1 1 25 ALA HB1 H -10.871 7.774 -0.435 1.00 . A A . 25 ALA HB1 1 1 12 4880 1 1 25 ALA HB2 H -12.588 7.637 -0.791 1.00 . A A . 25 ALA HB2 1 1 12 4881 1 1 25 ALA HB3 H -11.712 9.106 -1.231 1.00 . A A . 25 ALA HB3 1 1 12 4882 1 1 25 ALA N N -10.003 7.815 -2.914 1.00 . A A . 25 ALA N 1 1 12 4883 1 1 25 ALA O O -13.181 7.010 -3.903 1.00 . A A . 25 ALA O 1 1 12 4884 1 1 26 SER C C -12.286 10.539 -5.784 1.00 . A A . 26 SER C 1 1 12 4885 1 1 26 SER CA C -13.102 9.558 -4.941 1.00 . A A . 26 SER CA 1 1 12 4886 1 1 26 SER CB C -14.289 10.252 -4.247 1.00 . A A . 26 SER CB 1 1 12 4887 1 1 26 SER H H -11.508 9.534 -3.554 1.00 . A A . 26 SER H 1 1 12 4888 1 1 26 SER HA H -13.461 8.757 -5.569 1.00 . A A . 26 SER HA 1 1 12 4889 1 1 26 SER HB2 H -14.750 9.559 -3.559 1.00 . A A . 26 SER HB2 1 1 12 4890 1 1 26 SER HB3 H -13.928 11.110 -3.702 1.00 . A A . 26 SER HB3 1 1 12 4891 1 1 26 SER HG H -15.550 11.556 -4.884 1.00 . A A . 26 SER HG 1 1 12 4892 1 1 26 SER N N -12.228 9.002 -3.950 1.00 . A A . 26 SER N 1 1 12 4893 1 1 26 SER O O -12.741 11.622 -6.163 1.00 . A A . 26 SER O 1 1 12 4894 1 1 26 SER OG O -15.274 10.681 -5.185 1.00 . A A . 26 SER OG 1 1 12 4895 1 1 27 ARG C C -10.620 10.848 -8.372 1.00 . A A . 27 ARG C 1 1 12 4896 1 1 27 ARG CA C -10.174 10.914 -6.911 1.00 . A A . 27 ARG CA 1 1 12 4897 1 1 27 ARG CB C -8.749 10.393 -6.733 1.00 . A A . 27 ARG CB 1 1 12 4898 1 1 27 ARG CD C -6.320 10.524 -7.312 1.00 . A A . 27 ARG CD 1 1 12 4899 1 1 27 ARG CG C -7.703 11.089 -7.575 1.00 . A A . 27 ARG CG 1 1 12 4900 1 1 27 ARG CZ C -5.106 8.422 -7.861 1.00 . A A . 27 ARG CZ 1 1 12 4901 1 1 27 ARG H H -10.806 9.232 -5.795 1.00 . A A . 27 ARG H 1 1 12 4902 1 1 27 ARG HA H -10.235 11.935 -6.570 1.00 . A A . 27 ARG HA 1 1 12 4903 1 1 27 ARG HB2 H -8.468 10.505 -5.696 1.00 . A A . 27 ARG HB2 1 1 12 4904 1 1 27 ARG HB3 H -8.738 9.342 -6.979 1.00 . A A . 27 ARG HB3 1 1 12 4905 1 1 27 ARG HD2 H -5.612 11.030 -7.951 1.00 . A A . 27 ARG HD2 1 1 12 4906 1 1 27 ARG HD3 H -6.062 10.703 -6.279 1.00 . A A . 27 ARG HD3 1 1 12 4907 1 1 27 ARG HE H -7.083 8.567 -7.503 1.00 . A A . 27 ARG HE 1 1 12 4908 1 1 27 ARG HG2 H -7.947 10.948 -8.619 1.00 . A A . 27 ARG HG2 1 1 12 4909 1 1 27 ARG HG3 H -7.707 12.143 -7.342 1.00 . A A . 27 ARG HG3 1 1 12 4910 1 1 27 ARG HH11 H -3.865 10.056 -7.767 1.00 . A A . 27 ARG HH11 1 1 12 4911 1 1 27 ARG HH12 H -3.088 8.584 -8.133 1.00 . A A . 27 ARG HH12 1 1 12 4912 1 1 27 ARG HH21 H -6.001 6.591 -8.069 1.00 . A A . 27 ARG HH21 1 1 12 4913 1 1 27 ARG HH22 H -4.315 6.596 -8.294 1.00 . A A . 27 ARG HH22 1 1 12 4914 1 1 27 ARG N N -11.081 10.123 -6.101 1.00 . A A . 27 ARG N 1 1 12 4915 1 1 27 ARG NE N -6.236 9.080 -7.574 1.00 . A A . 27 ARG NE 1 1 12 4916 1 1 27 ARG NH1 N -3.944 9.068 -7.924 1.00 . A A . 27 ARG NH1 1 1 12 4917 1 1 27 ARG NH2 N -5.147 7.121 -8.091 1.00 . A A . 27 ARG NH2 1 1 12 4918 1 1 27 ARG O O -10.441 11.783 -9.155 1.00 . A A . 27 ARG O 1 1 12 4919 1 1 28 GLY C C -13.096 8.848 -9.835 1.00 . A A . 28 GLY C 1 1 12 4920 1 1 28 GLY CA C -11.772 9.530 -9.991 1.00 . A A . 28 GLY CA 1 1 12 4921 1 1 28 GLY H H -11.310 9.062 -8.012 1.00 . A A . 28 GLY H 1 1 12 4922 1 1 28 GLY HA2 H -11.900 10.476 -10.497 1.00 . A A . 28 GLY HA2 1 1 12 4923 1 1 28 GLY HA3 H -11.114 8.893 -10.563 1.00 . A A . 28 GLY HA3 1 1 12 4924 1 1 28 GLY N N -11.221 9.756 -8.699 1.00 . A A . 28 GLY N 1 1 12 4925 1 1 28 GLY O O -14.053 9.445 -9.322 1.00 . A A . 28 GLY O 1 1 12 4926 1 1 29 THR C C -14.067 5.580 -9.214 1.00 . A A . 29 THR C 1 1 12 4927 1 1 29 THR CA C -14.347 6.846 -10.046 1.00 . A A . 29 THR CA 1 1 12 4928 1 1 29 THR CB C -15.031 6.538 -11.418 1.00 . A A . 29 THR CB 1 1 12 4929 1 1 29 THR CG2 C -14.082 5.865 -12.395 1.00 . A A . 29 THR CG2 1 1 12 4930 1 1 29 THR H H -12.366 7.164 -10.583 1.00 . A A . 29 THR H 1 1 12 4931 1 1 29 THR HA H -15.005 7.472 -9.462 1.00 . A A . 29 THR HA 1 1 12 4932 1 1 29 THR HB H -15.342 7.485 -11.834 1.00 . A A . 29 THR HB 1 1 12 4933 1 1 29 THR HG1 H -16.965 6.327 -11.363 1.00 . A A . 29 THR HG1 1 1 12 4934 1 1 29 THR HG21 H -13.255 6.526 -12.604 1.00 . A A . 29 THR HG21 1 1 12 4935 1 1 29 THR HG22 H -14.605 5.636 -13.311 1.00 . A A . 29 THR HG22 1 1 12 4936 1 1 29 THR HG23 H -13.708 4.955 -11.953 1.00 . A A . 29 THR HG23 1 1 12 4937 1 1 29 THR N N -13.153 7.606 -10.197 1.00 . A A . 29 THR N 1 1 12 4938 1 1 29 THR O O -13.245 4.715 -9.593 1.00 . A A . 29 THR O 1 1 12 4939 1 1 29 THR OG1 O -16.207 5.738 -11.243 1.00 . A A . 29 THR OG1 1 1 12 4940 1 1 30 ASN C C -15.790 4.138 -6.285 1.00 . A A . 30 ASN C 1 1 12 4941 1 1 30 ASN CA C -14.521 4.417 -7.125 1.00 . A A . 30 ASN CA 1 1 12 4942 1 1 30 ASN CB C -13.231 4.609 -6.263 1.00 . A A . 30 ASN CB 1 1 12 4943 1 1 30 ASN CG C -13.130 3.656 -5.077 1.00 . A A . 30 ASN CG 1 1 12 4944 1 1 30 ASN H H -15.383 6.191 -7.866 1.00 . A A . 30 ASN H 1 1 12 4945 1 1 30 ASN HA H -14.386 3.540 -7.743 1.00 . A A . 30 ASN HA 1 1 12 4946 1 1 30 ASN HB2 H -12.374 4.428 -6.894 1.00 . A A . 30 ASN HB2 1 1 12 4947 1 1 30 ASN HB3 H -13.177 5.623 -5.899 1.00 . A A . 30 ASN HB3 1 1 12 4948 1 1 30 ASN HD21 H -13.725 5.086 -3.831 1.00 . A A . 30 ASN HD21 1 1 12 4949 1 1 30 ASN HD22 H -13.381 3.569 -3.103 1.00 . A A . 30 ASN HD22 1 1 12 4950 1 1 30 ASN N N -14.710 5.506 -8.072 1.00 . A A . 30 ASN N 1 1 12 4951 1 1 30 ASN ND2 N -13.448 4.142 -3.896 1.00 . A A . 30 ASN ND2 1 1 12 4952 1 1 30 ASN O O -16.260 2.994 -6.264 1.00 . A A . 30 ASN O 1 1 12 4953 1 1 30 ASN OD1 O -12.696 2.514 -5.215 1.00 . A A . 30 ASN OD1 1 1 12 4954 1 1 31 PRO C C -18.820 5.457 -5.633 1.00 . A A . 31 PRO C 1 1 12 4955 1 1 31 PRO CA C -17.610 4.933 -4.839 1.00 . A A . 31 PRO CA 1 1 12 4956 1 1 31 PRO CB C -17.384 5.763 -3.571 1.00 . A A . 31 PRO CB 1 1 12 4957 1 1 31 PRO CD C -15.895 6.515 -5.353 1.00 . A A . 31 PRO CD 1 1 12 4958 1 1 31 PRO CG C -16.442 6.870 -3.980 1.00 . A A . 31 PRO CG 1 1 12 4959 1 1 31 PRO HA H -17.758 3.894 -4.581 1.00 . A A . 31 PRO HA 1 1 12 4960 1 1 31 PRO HB2 H -18.330 6.153 -3.224 1.00 . A A . 31 PRO HB2 1 1 12 4961 1 1 31 PRO HB3 H -16.946 5.139 -2.807 1.00 . A A . 31 PRO HB3 1 1 12 4962 1 1 31 PRO HD2 H -16.278 7.186 -6.106 1.00 . A A . 31 PRO HD2 1 1 12 4963 1 1 31 PRO HD3 H -14.817 6.549 -5.338 1.00 . A A . 31 PRO HD3 1 1 12 4964 1 1 31 PRO HG2 H -16.978 7.806 -4.026 1.00 . A A . 31 PRO HG2 1 1 12 4965 1 1 31 PRO HG3 H -15.636 6.944 -3.264 1.00 . A A . 31 PRO HG3 1 1 12 4966 1 1 31 PRO N N -16.378 5.141 -5.566 1.00 . A A . 31 PRO N 1 1 12 4967 1 1 31 PRO O O -19.282 4.765 -6.554 1.00 . A A . 31 PRO O 1 1 12 4968 1 1 31 PRO OXT O -19.308 6.576 -5.354 1.00 . A A . 31 PRO OXT 1 1 13 4969 1 1 1 ASP C C -2.050 11.295 5.312 1.00 . A A . 1 ASP C 1 1 13 4970 1 1 1 ASP CA C -1.881 11.230 6.802 1.00 . A A . 1 ASP CA 1 1 13 4971 1 1 1 ASP CB C -0.404 10.942 7.119 1.00 . A A . 1 ASP CB 1 1 13 4972 1 1 1 ASP CG C 0.138 9.746 6.358 1.00 . A A . 1 ASP CG 1 1 13 4973 1 1 1 ASP H1 H -2.690 10.069 8.346 1.00 . A A . 1 ASP H1 1 1 13 4974 1 1 1 ASP H2 H -2.432 9.245 6.893 1.00 . A A . 1 ASP H2 1 1 13 4975 1 1 1 ASP H3 H -3.719 10.307 7.018 1.00 . A A . 1 ASP H3 1 1 13 4976 1 1 1 ASP HA H -2.175 12.172 7.238 1.00 . A A . 1 ASP HA 1 1 13 4977 1 1 1 ASP HB2 H 0.187 11.807 6.853 1.00 . A A . 1 ASP HB2 1 1 13 4978 1 1 1 ASP HB3 H -0.295 10.754 8.178 1.00 . A A . 1 ASP HB3 1 1 13 4979 1 1 1 ASP N N -2.736 10.148 7.312 1.00 . A A . 1 ASP N 1 1 13 4980 1 1 1 ASP O O -2.762 10.479 4.747 1.00 . A A . 1 ASP O 1 1 13 4981 1 1 1 ASP OD1 O -0.357 8.629 6.564 1.00 . A A . 1 ASP OD1 1 1 13 4982 1 1 1 ASP OD2 O 1.088 9.906 5.563 1.00 . A A . 1 ASP OD2 1 1 13 4983 1 1 2 VAL C C -0.036 12.178 2.713 1.00 . A A . 2 VAL C 1 1 13 4984 1 1 2 VAL CA C -1.456 12.330 3.249 1.00 . A A . 2 VAL CA 1 1 13 4985 1 1 2 VAL CB C -2.163 13.618 2.698 1.00 . A A . 2 VAL CB 1 1 13 4986 1 1 2 VAL CG1 C -1.496 14.900 3.173 1.00 . A A . 2 VAL CG1 1 1 13 4987 1 1 2 VAL CG2 C -2.256 13.584 1.176 1.00 . A A . 2 VAL CG2 1 1 13 4988 1 1 2 VAL H H -0.949 12.949 5.183 1.00 . A A . 2 VAL H 1 1 13 4989 1 1 2 VAL HA H -2.008 11.461 2.922 1.00 . A A . 2 VAL HA 1 1 13 4990 1 1 2 VAL HB H -3.169 13.620 3.091 1.00 . A A . 2 VAL HB 1 1 13 4991 1 1 2 VAL HG11 H -1.992 15.749 2.728 1.00 . A A . 2 VAL HG11 1 1 13 4992 1 1 2 VAL HG12 H -0.453 14.897 2.890 1.00 . A A . 2 VAL HG12 1 1 13 4993 1 1 2 VAL HG13 H -1.579 14.965 4.247 1.00 . A A . 2 VAL HG13 1 1 13 4994 1 1 2 VAL HG21 H -1.261 13.541 0.758 1.00 . A A . 2 VAL HG21 1 1 13 4995 1 1 2 VAL HG22 H -2.758 14.473 0.823 1.00 . A A . 2 VAL HG22 1 1 13 4996 1 1 2 VAL HG23 H -2.813 12.712 0.869 1.00 . A A . 2 VAL HG23 1 1 13 4997 1 1 2 VAL N N -1.436 12.260 4.679 1.00 . A A . 2 VAL N 1 1 13 4998 1 1 2 VAL O O 0.884 12.896 3.127 1.00 . A A . 2 VAL O 1 1 13 4999 1 1 3 SER C C 1.058 10.294 -0.127 1.00 . A A . 3 SER C 1 1 13 5000 1 1 3 SER CA C 1.394 10.883 1.242 1.00 . A A . 3 SER CA 1 1 13 5001 1 1 3 SER CB C 2.144 9.867 2.136 1.00 . A A . 3 SER CB 1 1 13 5002 1 1 3 SER H H -0.626 10.667 1.570 1.00 . A A . 3 SER H 1 1 13 5003 1 1 3 SER HA H 1.975 11.786 1.125 1.00 . A A . 3 SER HA 1 1 13 5004 1 1 3 SER HB2 H 1.503 9.016 2.317 1.00 . A A . 3 SER HB2 1 1 13 5005 1 1 3 SER HB3 H 3.045 9.538 1.640 1.00 . A A . 3 SER HB3 1 1 13 5006 1 1 3 SER HG H 1.866 10.183 4.087 1.00 . A A . 3 SER HG 1 1 13 5007 1 1 3 SER N N 0.136 11.213 1.858 1.00 . A A . 3 SER N 1 1 13 5008 1 1 3 SER O O -0.134 10.023 -0.359 1.00 . A A . 3 SER O 1 1 13 5009 1 1 3 SER OG O 2.494 10.452 3.394 1.00 . A A . 3 SER OG 1 1 13 5010 1 1 4 PRO C C 1.009 8.265 -2.315 1.00 . A A . 4 PRO C 1 1 13 5011 1 1 4 PRO CA C 1.793 9.553 -2.401 1.00 . A A . 4 PRO CA 1 1 13 5012 1 1 4 PRO CB C 3.180 9.292 -2.963 1.00 . A A . 4 PRO CB 1 1 13 5013 1 1 4 PRO CD C 3.483 10.473 -0.909 1.00 . A A . 4 PRO CD 1 1 13 5014 1 1 4 PRO CG C 4.035 10.314 -2.304 1.00 . A A . 4 PRO CG 1 1 13 5015 1 1 4 PRO HA H 1.265 10.260 -3.023 1.00 . A A . 4 PRO HA 1 1 13 5016 1 1 4 PRO HB2 H 3.479 8.282 -2.720 1.00 . A A . 4 PRO HB2 1 1 13 5017 1 1 4 PRO HB3 H 3.143 9.418 -4.034 1.00 . A A . 4 PRO HB3 1 1 13 5018 1 1 4 PRO HD2 H 3.978 9.793 -0.234 1.00 . A A . 4 PRO HD2 1 1 13 5019 1 1 4 PRO HD3 H 3.594 11.492 -0.569 1.00 . A A . 4 PRO HD3 1 1 13 5020 1 1 4 PRO HG2 H 5.057 9.968 -2.270 1.00 . A A . 4 PRO HG2 1 1 13 5021 1 1 4 PRO HG3 H 3.973 11.248 -2.842 1.00 . A A . 4 PRO HG3 1 1 13 5022 1 1 4 PRO N N 2.051 10.121 -1.065 1.00 . A A . 4 PRO N 1 1 13 5023 1 1 4 PRO O O 1.451 7.290 -1.704 1.00 . A A . 4 PRO O 1 1 13 5024 1 1 5 CYS C C -0.753 6.124 -3.785 1.00 . A A . 5 CYS C 1 1 13 5025 1 1 5 CYS CA C -1.050 7.185 -2.784 1.00 . A A . 5 CYS CA 1 1 13 5026 1 1 5 CYS CB C -2.476 7.644 -2.982 1.00 . A A . 5 CYS CB 1 1 13 5027 1 1 5 CYS H H -0.382 9.060 -3.433 1.00 . A A . 5 CYS H 1 1 13 5028 1 1 5 CYS HA H -0.972 6.774 -1.789 1.00 . A A . 5 CYS HA 1 1 13 5029 1 1 5 CYS HB2 H -2.704 8.465 -2.319 1.00 . A A . 5 CYS HB2 1 1 13 5030 1 1 5 CYS HB3 H -2.555 7.961 -4.013 1.00 . A A . 5 CYS HB3 1 1 13 5031 1 1 5 CYS N N -0.142 8.277 -2.893 1.00 . A A . 5 CYS N 1 1 13 5032 1 1 5 CYS O O -0.489 6.412 -4.961 1.00 . A A . 5 CYS O 1 1 13 5033 1 1 5 CYS SG S -3.703 6.316 -2.730 1.00 . A A . 5 CYS SG 1 1 13 5034 1 1 6 PHE C C -1.713 2.805 -3.820 1.00 . A A . 6 PHE C 1 1 13 5035 1 1 6 PHE CA C -0.653 3.812 -4.206 1.00 . A A . 6 PHE CA 1 1 13 5036 1 1 6 PHE CB C 0.744 3.212 -4.117 1.00 . A A . 6 PHE CB 1 1 13 5037 1 1 6 PHE CD1 C 1.406 3.152 -6.499 1.00 . A A . 6 PHE CD1 1 1 13 5038 1 1 6 PHE CD2 C 1.127 1.079 -5.371 1.00 . A A . 6 PHE CD2 1 1 13 5039 1 1 6 PHE CE1 C 1.729 2.498 -7.655 1.00 . A A . 6 PHE CE1 1 1 13 5040 1 1 6 PHE CE2 C 1.452 0.405 -6.531 1.00 . A A . 6 PHE CE2 1 1 13 5041 1 1 6 PHE CG C 1.102 2.457 -5.348 1.00 . A A . 6 PHE CG 1 1 13 5042 1 1 6 PHE CZ C 1.754 1.116 -7.679 1.00 . A A . 6 PHE CZ 1 1 13 5043 1 1 6 PHE H H -0.899 4.745 -2.375 1.00 . A A . 6 PHE H 1 1 13 5044 1 1 6 PHE HA H -0.838 4.159 -5.212 1.00 . A A . 6 PHE HA 1 1 13 5045 1 1 6 PHE HB2 H 1.466 4.004 -3.983 1.00 . A A . 6 PHE HB2 1 1 13 5046 1 1 6 PHE HB3 H 0.791 2.533 -3.278 1.00 . A A . 6 PHE HB3 1 1 13 5047 1 1 6 PHE HD1 H 1.388 4.231 -6.482 1.00 . A A . 6 PHE HD1 1 1 13 5048 1 1 6 PHE HD2 H 0.891 0.526 -4.473 1.00 . A A . 6 PHE HD2 1 1 13 5049 1 1 6 PHE HE1 H 1.955 3.091 -8.528 1.00 . A A . 6 PHE HE1 1 1 13 5050 1 1 6 PHE HE2 H 1.467 -0.675 -6.535 1.00 . A A . 6 PHE HE2 1 1 13 5051 1 1 6 PHE HZ H 2.007 0.595 -8.590 1.00 . A A . 6 PHE HZ 1 1 13 5052 1 1 6 PHE N N -0.784 4.912 -3.335 1.00 . A A . 6 PHE N 1 1 13 5053 1 1 6 PHE O O -1.977 2.613 -2.624 1.00 . A A . 6 PHE O 1 1 13 5054 1 1 7 CYS C C -3.075 -0.034 -5.249 1.00 . A A . 7 CYS C 1 1 13 5055 1 1 7 CYS CA C -3.411 1.265 -4.542 1.00 . A A . 7 CYS CA 1 1 13 5056 1 1 7 CYS CB C -4.760 1.774 -5.048 1.00 . A A . 7 CYS CB 1 1 13 5057 1 1 7 CYS H H -2.165 2.458 -5.729 1.00 . A A . 7 CYS H 1 1 13 5058 1 1 7 CYS HA H -3.473 1.089 -3.478 1.00 . A A . 7 CYS HA 1 1 13 5059 1 1 7 CYS HB2 H -4.747 1.731 -6.124 1.00 . A A . 7 CYS HB2 1 1 13 5060 1 1 7 CYS HB3 H -5.527 1.098 -4.696 1.00 . A A . 7 CYS HB3 1 1 13 5061 1 1 7 CYS N N -2.369 2.233 -4.796 1.00 . A A . 7 CYS N 1 1 13 5062 1 1 7 CYS O O -2.568 -0.020 -6.376 1.00 . A A . 7 CYS O 1 1 13 5063 1 1 7 CYS SG S -5.210 3.471 -4.510 1.00 . A A . 7 CYS SG 1 1 13 5064 1 1 8 VAL C C -4.218 -3.340 -4.604 1.00 . A A . 8 VAL C 1 1 13 5065 1 1 8 VAL CA C -3.096 -2.473 -5.129 1.00 . A A . 8 VAL CA 1 1 13 5066 1 1 8 VAL CB C -1.735 -3.095 -4.623 1.00 . A A . 8 VAL CB 1 1 13 5067 1 1 8 VAL CG1 C -1.425 -4.415 -5.321 1.00 . A A . 8 VAL CG1 1 1 13 5068 1 1 8 VAL CG2 C -0.558 -2.142 -4.763 1.00 . A A . 8 VAL CG2 1 1 13 5069 1 1 8 VAL H H -3.765 -1.072 -3.710 1.00 . A A . 8 VAL H 1 1 13 5070 1 1 8 VAL HA H -3.119 -2.441 -6.209 1.00 . A A . 8 VAL HA 1 1 13 5071 1 1 8 VAL HB H -1.875 -3.326 -3.579 1.00 . A A . 8 VAL HB 1 1 13 5072 1 1 8 VAL HG11 H -2.215 -5.123 -5.121 1.00 . A A . 8 VAL HG11 1 1 13 5073 1 1 8 VAL HG12 H -0.488 -4.804 -4.952 1.00 . A A . 8 VAL HG12 1 1 13 5074 1 1 8 VAL HG13 H -1.350 -4.249 -6.386 1.00 . A A . 8 VAL HG13 1 1 13 5075 1 1 8 VAL HG21 H -0.428 -1.888 -5.805 1.00 . A A . 8 VAL HG21 1 1 13 5076 1 1 8 VAL HG22 H 0.338 -2.615 -4.392 1.00 . A A . 8 VAL HG22 1 1 13 5077 1 1 8 VAL HG23 H -0.755 -1.243 -4.197 1.00 . A A . 8 VAL HG23 1 1 13 5078 1 1 8 VAL N N -3.343 -1.135 -4.594 1.00 . A A . 8 VAL N 1 1 13 5079 1 1 8 VAL O O -4.798 -3.011 -3.554 1.00 . A A . 8 VAL O 1 1 13 5080 1 1 9 GLU C C -4.952 -6.174 -3.755 1.00 . A A . 9 GLU C 1 1 13 5081 1 1 9 GLU CA C -5.571 -5.298 -4.829 1.00 . A A . 9 GLU CA 1 1 13 5082 1 1 9 GLU CB C -6.160 -6.142 -5.956 1.00 . A A . 9 GLU CB 1 1 13 5083 1 1 9 GLU CD C -7.949 -7.780 -6.628 1.00 . A A . 9 GLU CD 1 1 13 5084 1 1 9 GLU CG C -7.356 -6.965 -5.516 1.00 . A A . 9 GLU CG 1 1 13 5085 1 1 9 GLU H H -4.134 -4.549 -6.178 1.00 . A A . 9 GLU H 1 1 13 5086 1 1 9 GLU HA H -6.354 -4.719 -4.367 1.00 . A A . 9 GLU HA 1 1 13 5087 1 1 9 GLU HB2 H -6.468 -5.488 -6.759 1.00 . A A . 9 GLU HB2 1 1 13 5088 1 1 9 GLU HB3 H -5.400 -6.817 -6.322 1.00 . A A . 9 GLU HB3 1 1 13 5089 1 1 9 GLU HG2 H -7.045 -7.633 -4.728 1.00 . A A . 9 GLU HG2 1 1 13 5090 1 1 9 GLU HG3 H -8.113 -6.295 -5.134 1.00 . A A . 9 GLU HG3 1 1 13 5091 1 1 9 GLU N N -4.569 -4.389 -5.313 1.00 . A A . 9 GLU N 1 1 13 5092 1 1 9 GLU O O -4.165 -7.072 -4.042 1.00 . A A . 9 GLU O 1 1 13 5093 1 1 9 GLU OE1 O -7.666 -8.987 -6.706 1.00 . A A . 9 GLU OE1 1 1 13 5094 1 1 9 GLU OE2 O -8.725 -7.229 -7.431 1.00 . A A . 9 GLU OE2 1 1 13 5095 1 1 10 ASP C C -5.692 -7.695 -1.053 1.00 . A A . 10 ASP C 1 1 13 5096 1 1 10 ASP CA C -4.772 -6.572 -1.401 1.00 . A A . 10 ASP CA 1 1 13 5097 1 1 10 ASP CB C -4.679 -5.584 -0.249 1.00 . A A . 10 ASP CB 1 1 13 5098 1 1 10 ASP CG C -4.035 -6.165 0.969 1.00 . A A . 10 ASP CG 1 1 13 5099 1 1 10 ASP H H -6.005 -5.232 -2.380 1.00 . A A . 10 ASP H 1 1 13 5100 1 1 10 ASP HA H -3.792 -6.973 -1.608 1.00 . A A . 10 ASP HA 1 1 13 5101 1 1 10 ASP HB2 H -4.106 -4.726 -0.561 1.00 . A A . 10 ASP HB2 1 1 13 5102 1 1 10 ASP HB3 H -5.677 -5.263 0.012 1.00 . A A . 10 ASP HB3 1 1 13 5103 1 1 10 ASP N N -5.307 -5.901 -2.543 1.00 . A A . 10 ASP N 1 1 13 5104 1 1 10 ASP O O -6.879 -7.473 -0.814 1.00 . A A . 10 ASP O 1 1 13 5105 1 1 10 ASP OD1 O -2.808 -6.011 1.142 1.00 . A A . 10 ASP OD1 1 1 13 5106 1 1 10 ASP OD2 O -4.736 -6.759 1.789 1.00 . A A . 10 ASP OD2 1 1 13 5107 1 1 11 GLU C C -6.378 -10.166 0.686 1.00 . A A . 11 GLU C 1 1 13 5108 1 1 11 GLU CA C -5.975 -10.077 -0.788 1.00 . A A . 11 GLU CA 1 1 13 5109 1 1 11 GLU CB C -5.236 -11.346 -1.239 1.00 . A A . 11 GLU CB 1 1 13 5110 1 1 11 GLU CD C -5.369 -13.827 -1.676 1.00 . A A . 11 GLU CD 1 1 13 5111 1 1 11 GLU CG C -6.089 -12.603 -1.189 1.00 . A A . 11 GLU CG 1 1 13 5112 1 1 11 GLU H H -4.204 -8.974 -1.195 1.00 . A A . 11 GLU H 1 1 13 5113 1 1 11 GLU HA H -6.877 -9.972 -1.373 1.00 . A A . 11 GLU HA 1 1 13 5114 1 1 11 GLU HB2 H -4.896 -11.212 -2.255 1.00 . A A . 11 GLU HB2 1 1 13 5115 1 1 11 GLU HB3 H -4.378 -11.495 -0.600 1.00 . A A . 11 GLU HB3 1 1 13 5116 1 1 11 GLU HG2 H -6.399 -12.773 -0.168 1.00 . A A . 11 GLU HG2 1 1 13 5117 1 1 11 GLU HG3 H -6.962 -12.446 -1.804 1.00 . A A . 11 GLU HG3 1 1 13 5118 1 1 11 GLU N N -5.169 -8.890 -1.035 1.00 . A A . 11 GLU N 1 1 13 5119 1 1 11 GLU O O -7.410 -10.762 1.028 1.00 . A A . 11 GLU O 1 1 13 5120 1 1 11 GLU OE1 O -4.831 -14.586 -0.844 1.00 . A A . 11 GLU OE1 1 1 13 5121 1 1 11 GLU OE2 O -5.344 -14.072 -2.897 1.00 . A A . 11 GLU OE2 1 1 13 5122 1 1 12 THR C C -7.112 -8.651 3.238 1.00 . A A . 12 THR C 1 1 13 5123 1 1 12 THR CA C -5.874 -9.522 2.966 1.00 . A A . 12 THR CA 1 1 13 5124 1 1 12 THR CB C -4.645 -8.977 3.733 1.00 . A A . 12 THR CB 1 1 13 5125 1 1 12 THR CG2 C -4.842 -9.047 5.243 1.00 . A A . 12 THR CG2 1 1 13 5126 1 1 12 THR H H -4.843 -8.999 1.209 1.00 . A A . 12 THR H 1 1 13 5127 1 1 12 THR HA H -6.075 -10.536 3.279 1.00 . A A . 12 THR HA 1 1 13 5128 1 1 12 THR HB H -4.496 -7.950 3.434 1.00 . A A . 12 THR HB 1 1 13 5129 1 1 12 THR HG1 H -3.586 -10.630 3.710 1.00 . A A . 12 THR HG1 1 1 13 5130 1 1 12 THR HG21 H -5.685 -8.431 5.520 1.00 . A A . 12 THR HG21 1 1 13 5131 1 1 12 THR HG22 H -3.954 -8.691 5.745 1.00 . A A . 12 THR HG22 1 1 13 5132 1 1 12 THR HG23 H -5.038 -10.067 5.540 1.00 . A A . 12 THR HG23 1 1 13 5133 1 1 12 THR N N -5.606 -9.524 1.541 1.00 . A A . 12 THR N 1 1 13 5134 1 1 12 THR O O -7.967 -8.987 4.055 1.00 . A A . 12 THR O 1 1 13 5135 1 1 12 THR OG1 O -3.473 -9.737 3.357 1.00 . A A . 12 THR OG1 1 1 13 5136 1 1 13 SER C C -9.467 -7.246 1.763 1.00 . A A . 13 SER C 1 1 13 5137 1 1 13 SER CA C -8.322 -6.676 2.607 1.00 . A A . 13 SER CA 1 1 13 5138 1 1 13 SER CB C -7.908 -5.293 2.113 1.00 . A A . 13 SER CB 1 1 13 5139 1 1 13 SER H H -6.422 -7.311 1.964 1.00 . A A . 13 SER H 1 1 13 5140 1 1 13 SER HA H -8.639 -6.602 3.633 1.00 . A A . 13 SER HA 1 1 13 5141 1 1 13 SER HB2 H -7.034 -4.961 2.650 1.00 . A A . 13 SER HB2 1 1 13 5142 1 1 13 SER HB3 H -7.671 -5.390 1.066 1.00 . A A . 13 SER HB3 1 1 13 5143 1 1 13 SER HG H -8.499 -3.550 2.645 1.00 . A A . 13 SER HG 1 1 13 5144 1 1 13 SER N N -7.196 -7.554 2.527 1.00 . A A . 13 SER N 1 1 13 5145 1 1 13 SER O O -10.638 -7.184 2.152 1.00 . A A . 13 SER O 1 1 13 5146 1 1 13 SER OG O -8.937 -4.322 2.262 1.00 . A A . 13 SER OG 1 1 13 5147 1 1 14 GLY C C -10.522 -7.474 -1.346 1.00 . A A . 14 GLY C 1 1 13 5148 1 1 14 GLY CA C -10.096 -8.420 -0.250 1.00 . A A . 14 GLY CA 1 1 13 5149 1 1 14 GLY H H -8.173 -7.831 0.356 1.00 . A A . 14 GLY H 1 1 13 5150 1 1 14 GLY HA2 H -9.663 -9.302 -0.700 1.00 . A A . 14 GLY HA2 1 1 13 5151 1 1 14 GLY HA3 H -10.963 -8.704 0.327 1.00 . A A . 14 GLY HA3 1 1 13 5152 1 1 14 GLY N N -9.119 -7.820 0.627 1.00 . A A . 14 GLY N 1 1 13 5153 1 1 14 GLY O O -11.545 -7.693 -2.001 1.00 . A A . 14 GLY O 1 1 13 5154 1 1 15 ALA C C -8.801 -4.480 -2.641 1.00 . A A . 15 ALA C 1 1 13 5155 1 1 15 ALA CA C -10.006 -5.394 -2.540 1.00 . A A . 15 ALA CA 1 1 13 5156 1 1 15 ALA CB C -11.237 -4.583 -2.135 1.00 . A A . 15 ALA CB 1 1 13 5157 1 1 15 ALA H H -8.894 -6.353 -1.037 1.00 . A A . 15 ALA H 1 1 13 5158 1 1 15 ALA HA H -10.185 -5.860 -3.498 1.00 . A A . 15 ALA HA 1 1 13 5159 1 1 15 ALA HB1 H -11.070 -4.137 -1.166 1.00 . A A . 15 ALA HB1 1 1 13 5160 1 1 15 ALA HB2 H -12.096 -5.234 -2.088 1.00 . A A . 15 ALA HB2 1 1 13 5161 1 1 15 ALA HB3 H -11.412 -3.806 -2.864 1.00 . A A . 15 ALA HB3 1 1 13 5162 1 1 15 ALA N N -9.728 -6.432 -1.552 1.00 . A A . 15 ALA N 1 1 13 5163 1 1 15 ALA O O -7.799 -4.698 -1.942 1.00 . A A . 15 ALA O 1 1 13 5164 1 1 16 LYS C C -7.711 -1.649 -2.405 1.00 . A A . 16 LYS C 1 1 13 5165 1 1 16 LYS CA C -7.805 -2.517 -3.621 1.00 . A A . 16 LYS CA 1 1 13 5166 1 1 16 LYS CB C -7.886 -1.677 -4.907 1.00 . A A . 16 LYS CB 1 1 13 5167 1 1 16 LYS CD C -7.528 -1.560 -7.421 1.00 . A A . 16 LYS CD 1 1 13 5168 1 1 16 LYS CE C -8.943 -1.114 -7.797 1.00 . A A . 16 LYS CE 1 1 13 5169 1 1 16 LYS CG C -7.488 -2.437 -6.165 1.00 . A A . 16 LYS CG 1 1 13 5170 1 1 16 LYS H H -9.680 -3.373 -4.048 1.00 . A A . 16 LYS H 1 1 13 5171 1 1 16 LYS HA H -6.882 -3.075 -3.639 1.00 . A A . 16 LYS HA 1 1 13 5172 1 1 16 LYS HB2 H -8.903 -1.340 -5.030 1.00 . A A . 16 LYS HB2 1 1 13 5173 1 1 16 LYS HB3 H -7.238 -0.819 -4.807 1.00 . A A . 16 LYS HB3 1 1 13 5174 1 1 16 LYS HD2 H -6.927 -0.679 -7.248 1.00 . A A . 16 LYS HD2 1 1 13 5175 1 1 16 LYS HD3 H -7.106 -2.118 -8.243 1.00 . A A . 16 LYS HD3 1 1 13 5176 1 1 16 LYS HE2 H -9.379 -0.582 -6.965 1.00 . A A . 16 LYS HE2 1 1 13 5177 1 1 16 LYS HE3 H -8.877 -0.449 -8.645 1.00 . A A . 16 LYS HE3 1 1 13 5178 1 1 16 LYS HG2 H -6.480 -2.801 -6.034 1.00 . A A . 16 LYS HG2 1 1 13 5179 1 1 16 LYS HG3 H -8.151 -3.278 -6.286 1.00 . A A . 16 LYS HG3 1 1 13 5180 1 1 16 LYS HZ1 H -9.986 -2.879 -7.333 1.00 . A A . 16 LYS HZ1 1 1 13 5181 1 1 16 LYS HZ2 H -9.400 -2.852 -8.887 1.00 . A A . 16 LYS HZ2 1 1 13 5182 1 1 16 LYS HZ3 H -10.748 -1.932 -8.495 1.00 . A A . 16 LYS HZ3 1 1 13 5183 1 1 16 LYS N N -8.874 -3.476 -3.496 1.00 . A A . 16 LYS N 1 1 13 5184 1 1 16 LYS NZ N -9.822 -2.256 -8.147 1.00 . A A . 16 LYS NZ 1 1 13 5185 1 1 16 LYS O O -8.683 -1.022 -1.986 1.00 . A A . 16 LYS O 1 1 13 5186 1 1 17 THR C C -5.276 0.157 -1.081 1.00 . A A . 17 THR C 1 1 13 5187 1 1 17 THR CA C -6.266 -0.909 -0.674 1.00 . A A . 17 THR CA 1 1 13 5188 1 1 17 THR CB C -5.661 -1.831 0.391 1.00 . A A . 17 THR CB 1 1 13 5189 1 1 17 THR CG2 C -5.425 -1.099 1.702 1.00 . A A . 17 THR CG2 1 1 13 5190 1 1 17 THR H H -5.844 -2.218 -2.207 1.00 . A A . 17 THR H 1 1 13 5191 1 1 17 THR HA H -7.170 -0.462 -0.290 1.00 . A A . 17 THR HA 1 1 13 5192 1 1 17 THR HB H -4.729 -2.224 0.016 1.00 . A A . 17 THR HB 1 1 13 5193 1 1 17 THR HG1 H -7.127 -2.952 -0.180 1.00 . A A . 17 THR HG1 1 1 13 5194 1 1 17 THR HG21 H -4.973 -1.773 2.414 1.00 . A A . 17 THR HG21 1 1 13 5195 1 1 17 THR HG22 H -6.371 -0.748 2.084 1.00 . A A . 17 THR HG22 1 1 13 5196 1 1 17 THR HG23 H -4.767 -0.260 1.527 1.00 . A A . 17 THR HG23 1 1 13 5197 1 1 17 THR N N -6.567 -1.670 -1.824 1.00 . A A . 17 THR N 1 1 13 5198 1 1 17 THR O O -4.373 -0.102 -1.899 1.00 . A A . 17 THR O 1 1 13 5199 1 1 17 THR OG1 O -6.578 -2.906 0.610 1.00 . A A . 17 THR OG1 1 1 13 5200 1 1 18 CYS C C -3.860 2.801 0.316 1.00 . A A . 18 CYS C 1 1 13 5201 1 1 18 CYS CA C -4.586 2.389 -0.914 1.00 . A A . 18 CYS CA 1 1 13 5202 1 1 18 CYS CB C -5.331 3.575 -1.478 1.00 . A A . 18 CYS CB 1 1 13 5203 1 1 18 CYS H H -6.198 1.522 0.026 1.00 . A A . 18 CYS H 1 1 13 5204 1 1 18 CYS HA H -3.876 2.040 -1.648 1.00 . A A . 18 CYS HA 1 1 13 5205 1 1 18 CYS HB2 H -5.882 4.040 -0.680 1.00 . A A . 18 CYS HB2 1 1 13 5206 1 1 18 CYS HB3 H -4.592 4.290 -1.814 1.00 . A A . 18 CYS HB3 1 1 13 5207 1 1 18 CYS N N -5.462 1.333 -0.595 1.00 . A A . 18 CYS N 1 1 13 5208 1 1 18 CYS O O -4.328 2.583 1.439 1.00 . A A . 18 CYS O 1 1 13 5209 1 1 18 CYS SG S -6.417 3.192 -2.900 1.00 . A A . 18 CYS SG 1 1 13 5210 1 1 19 VAL C C -1.617 5.303 0.813 1.00 . A A . 19 VAL C 1 1 13 5211 1 1 19 VAL CA C -1.908 3.862 1.167 1.00 . A A . 19 VAL CA 1 1 13 5212 1 1 19 VAL CB C -0.555 3.090 1.273 1.00 . A A . 19 VAL CB 1 1 13 5213 1 1 19 VAL CG1 C 0.232 3.543 2.493 1.00 . A A . 19 VAL CG1 1 1 13 5214 1 1 19 VAL CG2 C -0.764 1.583 1.307 1.00 . A A . 19 VAL CG2 1 1 13 5215 1 1 19 VAL H H -2.455 3.455 -0.823 1.00 . A A . 19 VAL H 1 1 13 5216 1 1 19 VAL HA H -2.450 3.797 2.098 1.00 . A A . 19 VAL HA 1 1 13 5217 1 1 19 VAL HB H 0.029 3.337 0.398 1.00 . A A . 19 VAL HB 1 1 13 5218 1 1 19 VAL HG11 H 0.423 4.603 2.427 1.00 . A A . 19 VAL HG11 1 1 13 5219 1 1 19 VAL HG12 H 1.171 3.009 2.533 1.00 . A A . 19 VAL HG12 1 1 13 5220 1 1 19 VAL HG13 H -0.339 3.334 3.386 1.00 . A A . 19 VAL HG13 1 1 13 5221 1 1 19 VAL HG21 H -1.277 1.273 0.409 1.00 . A A . 19 VAL HG21 1 1 13 5222 1 1 19 VAL HG22 H -1.356 1.321 2.169 1.00 . A A . 19 VAL HG22 1 1 13 5223 1 1 19 VAL HG23 H 0.194 1.088 1.364 1.00 . A A . 19 VAL HG23 1 1 13 5224 1 1 19 VAL N N -2.731 3.360 0.112 1.00 . A A . 19 VAL N 1 1 13 5225 1 1 19 VAL O O -0.981 5.552 -0.212 1.00 . A A . 19 VAL O 1 1 13 5226 1 1 20 PRO C C -4.331 5.646 2.550 1.00 . A A . 20 PRO C 1 1 13 5227 1 1 20 PRO CA C -2.878 6.056 2.823 1.00 . A A . 20 PRO CA 1 1 13 5228 1 1 20 PRO CB C -2.872 7.427 3.486 1.00 . A A . 20 PRO CB 1 1 13 5229 1 1 20 PRO CD C -1.876 7.715 1.341 1.00 . A A . 20 PRO CD 1 1 13 5230 1 1 20 PRO CG C -2.745 8.386 2.356 1.00 . A A . 20 PRO CG 1 1 13 5231 1 1 20 PRO HA H -2.410 5.340 3.482 1.00 . A A . 20 PRO HA 1 1 13 5232 1 1 20 PRO HB2 H -3.811 7.559 4.002 1.00 . A A . 20 PRO HB2 1 1 13 5233 1 1 20 PRO HB3 H -2.048 7.508 4.178 1.00 . A A . 20 PRO HB3 1 1 13 5234 1 1 20 PRO HD2 H -2.182 7.980 0.340 1.00 . A A . 20 PRO HD2 1 1 13 5235 1 1 20 PRO HD3 H -0.841 7.983 1.499 1.00 . A A . 20 PRO HD3 1 1 13 5236 1 1 20 PRO HG2 H -3.720 8.592 1.940 1.00 . A A . 20 PRO HG2 1 1 13 5237 1 1 20 PRO HG3 H -2.284 9.299 2.701 1.00 . A A . 20 PRO HG3 1 1 13 5238 1 1 20 PRO N N -2.087 6.281 1.594 1.00 . A A . 20 PRO N 1 1 13 5239 1 1 20 PRO O O -4.839 5.781 1.405 1.00 . A A . 20 PRO O 1 1 13 5240 1 1 21 ASP C C -7.230 5.875 3.094 1.00 . A A . 21 ASP C 1 1 13 5241 1 1 21 ASP CA C -6.377 4.748 3.579 1.00 . A A . 21 ASP CA 1 1 13 5242 1 1 21 ASP CB C -6.851 4.351 4.972 1.00 . A A . 21 ASP CB 1 1 13 5243 1 1 21 ASP CG C -8.317 3.954 5.016 1.00 . A A . 21 ASP CG 1 1 13 5244 1 1 21 ASP H H -4.495 5.080 4.452 1.00 . A A . 21 ASP H 1 1 13 5245 1 1 21 ASP HA H -6.475 3.899 2.921 1.00 . A A . 21 ASP HA 1 1 13 5246 1 1 21 ASP HB2 H -6.260 3.521 5.328 1.00 . A A . 21 ASP HB2 1 1 13 5247 1 1 21 ASP HB3 H -6.709 5.202 5.618 1.00 . A A . 21 ASP HB3 1 1 13 5248 1 1 21 ASP N N -4.980 5.161 3.603 1.00 . A A . 21 ASP N 1 1 13 5249 1 1 21 ASP O O -7.273 6.952 3.718 1.00 . A A . 21 ASP O 1 1 13 5250 1 1 21 ASP OD1 O -9.197 4.846 5.070 1.00 . A A . 21 ASP OD1 1 1 13 5251 1 1 21 ASP OD2 O -8.619 2.746 5.005 1.00 . A A . 21 ASP OD2 1 1 13 5252 1 1 22 ASN C C -7.997 7.880 1.073 1.00 . A A . 22 ASN C 1 1 13 5253 1 1 22 ASN CA C -8.734 6.585 1.347 1.00 . A A . 22 ASN CA 1 1 13 5254 1 1 22 ASN CB C -10.053 6.813 2.094 1.00 . A A . 22 ASN CB 1 1 13 5255 1 1 22 ASN CG C -11.005 5.630 2.008 1.00 . A A . 22 ASN CG 1 1 13 5256 1 1 22 ASN H H -7.832 4.729 1.616 1.00 . A A . 22 ASN H 1 1 13 5257 1 1 22 ASN HA H -8.965 6.157 0.383 1.00 . A A . 22 ASN HA 1 1 13 5258 1 1 22 ASN HB2 H -9.850 7.020 3.133 1.00 . A A . 22 ASN HB2 1 1 13 5259 1 1 22 ASN HB3 H -10.523 7.666 1.636 1.00 . A A . 22 ASN HB3 1 1 13 5260 1 1 22 ASN HD21 H -10.236 4.811 3.651 1.00 . A A . 22 ASN HD21 1 1 13 5261 1 1 22 ASN HD22 H -11.506 3.934 2.893 1.00 . A A . 22 ASN HD22 1 1 13 5262 1 1 22 ASN N N -7.898 5.628 1.996 1.00 . A A . 22 ASN N 1 1 13 5263 1 1 22 ASN ND2 N -10.910 4.711 2.932 1.00 . A A . 22 ASN ND2 1 1 13 5264 1 1 22 ASN O O -8.346 8.945 1.599 1.00 . A A . 22 ASN O 1 1 13 5265 1 1 22 ASN OD1 O -11.836 5.557 1.102 1.00 . A A . 22 ASN OD1 1 1 13 5266 1 1 23 CYS C C -7.062 9.772 -0.986 1.00 . A A . 23 CYS C 1 1 13 5267 1 1 23 CYS CA C -6.143 8.906 -0.152 1.00 . A A . 23 CYS CA 1 1 13 5268 1 1 23 CYS CB C -4.955 8.438 -0.978 1.00 . A A . 23 CYS CB 1 1 13 5269 1 1 23 CYS H H -6.517 6.857 0.195 1.00 . A A . 23 CYS H 1 1 13 5270 1 1 23 CYS HA H -5.800 9.475 0.693 1.00 . A A . 23 CYS HA 1 1 13 5271 1 1 23 CYS HB2 H -4.474 9.298 -1.420 1.00 . A A . 23 CYS HB2 1 1 13 5272 1 1 23 CYS HB3 H -4.257 7.926 -0.334 1.00 . A A . 23 CYS HB3 1 1 13 5273 1 1 23 CYS N N -6.890 7.753 0.345 1.00 . A A . 23 CYS N 1 1 13 5274 1 1 23 CYS O O -7.009 11.000 -0.947 1.00 . A A . 23 CYS O 1 1 13 5275 1 1 23 CYS SG S -5.417 7.295 -2.326 1.00 . A A . 23 CYS SG 1 1 13 5276 1 1 24 ASP C C -10.168 9.758 -1.553 1.00 . A A . 24 ASP C 1 1 13 5277 1 1 24 ASP CA C -8.970 9.705 -2.453 1.00 . A A . 24 ASP CA 1 1 13 5278 1 1 24 ASP CB C -9.276 8.907 -3.735 1.00 . A A . 24 ASP CB 1 1 13 5279 1 1 24 ASP CG C -10.425 9.480 -4.565 1.00 . A A . 24 ASP CG 1 1 13 5280 1 1 24 ASP H H -7.849 8.132 -1.651 1.00 . A A . 24 ASP H 1 1 13 5281 1 1 24 ASP HA H -8.669 10.711 -2.704 1.00 . A A . 24 ASP HA 1 1 13 5282 1 1 24 ASP HB2 H -8.394 8.890 -4.355 1.00 . A A . 24 ASP HB2 1 1 13 5283 1 1 24 ASP HB3 H -9.527 7.894 -3.457 1.00 . A A . 24 ASP HB3 1 1 13 5284 1 1 24 ASP N N -7.927 9.102 -1.692 1.00 . A A . 24 ASP N 1 1 13 5285 1 1 24 ASP O O -11.017 8.859 -1.534 1.00 . A A . 24 ASP O 1 1 13 5286 1 1 24 ASP OD1 O -10.170 10.323 -5.444 1.00 . A A . 24 ASP OD1 1 1 13 5287 1 1 24 ASP OD2 O -11.589 9.043 -4.393 1.00 . A A . 24 ASP OD2 1 1 13 5288 1 1 25 ALA C C -12.240 11.769 -0.488 1.00 . A A . 25 ALA C 1 1 13 5289 1 1 25 ALA CA C -11.207 10.951 0.219 1.00 . A A . 25 ALA CA 1 1 13 5290 1 1 25 ALA CB C -10.720 11.627 1.494 1.00 . A A . 25 ALA CB 1 1 13 5291 1 1 25 ALA H H -9.343 11.294 -0.688 1.00 . A A . 25 ALA H 1 1 13 5292 1 1 25 ALA HA H -11.637 9.991 0.467 1.00 . A A . 25 ALA HA 1 1 13 5293 1 1 25 ALA HB1 H -9.983 10.999 1.973 1.00 . A A . 25 ALA HB1 1 1 13 5294 1 1 25 ALA HB2 H -11.555 11.777 2.162 1.00 . A A . 25 ALA HB2 1 1 13 5295 1 1 25 ALA HB3 H -10.277 12.581 1.249 1.00 . A A . 25 ALA HB3 1 1 13 5296 1 1 25 ALA N N -10.139 10.721 -0.692 1.00 . A A . 25 ALA N 1 1 13 5297 1 1 25 ALA O O -12.292 13.004 -0.379 1.00 . A A . 25 ALA O 1 1 13 5298 1 1 26 SER C C -15.253 11.980 -1.339 1.00 . A A . 26 SER C 1 1 13 5299 1 1 26 SER CA C -13.964 11.707 -2.108 1.00 . A A . 26 SER CA 1 1 13 5300 1 1 26 SER CB C -14.150 10.917 -3.387 1.00 . A A . 26 SER CB 1 1 13 5301 1 1 26 SER H H -12.815 10.137 -1.414 1.00 . A A . 26 SER H 1 1 13 5302 1 1 26 SER HA H -13.566 12.675 -2.379 1.00 . A A . 26 SER HA 1 1 13 5303 1 1 26 SER HB2 H -15.154 11.073 -3.749 1.00 . A A . 26 SER HB2 1 1 13 5304 1 1 26 SER HB3 H -13.439 11.255 -4.126 1.00 . A A . 26 SER HB3 1 1 13 5305 1 1 26 SER HG H -13.094 9.292 -3.568 1.00 . A A . 26 SER HG 1 1 13 5306 1 1 26 SER N N -12.968 11.101 -1.314 1.00 . A A . 26 SER N 1 1 13 5307 1 1 26 SER O O -16.259 11.262 -1.458 1.00 . A A . 26 SER O 1 1 13 5308 1 1 26 SER OG O -13.944 9.522 -3.151 1.00 . A A . 26 SER OG 1 1 13 5309 1 1 27 ARG C C -15.759 14.903 0.642 1.00 . A A . 27 ARG C 1 1 13 5310 1 1 27 ARG CA C -16.212 13.503 0.301 1.00 . A A . 27 ARG CA 1 1 13 5311 1 1 27 ARG CB C -16.443 12.645 1.546 1.00 . A A . 27 ARG CB 1 1 13 5312 1 1 27 ARG CD C -17.936 11.963 3.416 1.00 . A A . 27 ARG CD 1 1 13 5313 1 1 27 ARG CG C -17.680 13.002 2.343 1.00 . A A . 27 ARG CG 1 1 13 5314 1 1 27 ARG CZ C -18.092 9.468 3.511 1.00 . A A . 27 ARG CZ 1 1 13 5315 1 1 27 ARG H H -14.260 13.374 -0.374 1.00 . A A . 27 ARG H 1 1 13 5316 1 1 27 ARG HA H -17.096 13.549 -0.315 1.00 . A A . 27 ARG HA 1 1 13 5317 1 1 27 ARG HB2 H -16.529 11.612 1.242 1.00 . A A . 27 ARG HB2 1 1 13 5318 1 1 27 ARG HB3 H -15.583 12.742 2.193 1.00 . A A . 27 ARG HB3 1 1 13 5319 1 1 27 ARG HD2 H -17.099 11.947 4.097 1.00 . A A . 27 ARG HD2 1 1 13 5320 1 1 27 ARG HD3 H -18.836 12.228 3.949 1.00 . A A . 27 ARG HD3 1 1 13 5321 1 1 27 ARG HE H -18.220 10.605 1.851 1.00 . A A . 27 ARG HE 1 1 13 5322 1 1 27 ARG HG2 H -17.539 13.968 2.806 1.00 . A A . 27 ARG HG2 1 1 13 5323 1 1 27 ARG HG3 H -18.528 13.036 1.676 1.00 . A A . 27 ARG HG3 1 1 13 5324 1 1 27 ARG HH11 H -17.959 10.314 5.375 1.00 . A A . 27 ARG HH11 1 1 13 5325 1 1 27 ARG HH12 H -18.006 8.611 5.368 1.00 . A A . 27 ARG HH12 1 1 13 5326 1 1 27 ARG HH21 H -18.259 8.279 1.857 1.00 . A A . 27 ARG HH21 1 1 13 5327 1 1 27 ARG HH22 H -18.172 7.439 3.336 1.00 . A A . 27 ARG HH22 1 1 13 5328 1 1 27 ARG N N -15.149 12.969 -0.487 1.00 . A A . 27 ARG N 1 1 13 5329 1 1 27 ARG NE N -18.107 10.620 2.829 1.00 . A A . 27 ARG NE 1 1 13 5330 1 1 27 ARG NH1 N -18.010 9.466 4.842 1.00 . A A . 27 ARG NH1 1 1 13 5331 1 1 27 ARG NH2 N -18.181 8.319 2.857 1.00 . A A . 27 ARG NH2 1 1 13 5332 1 1 27 ARG O O -14.965 15.114 1.566 1.00 . A A . 27 ARG O 1 1 13 5333 1 1 28 GLY C C -14.413 17.082 -1.045 1.00 . A A . 28 GLY C 1 1 13 5334 1 1 28 GLY CA C -15.610 17.149 -0.126 1.00 . A A . 28 GLY CA 1 1 13 5335 1 1 28 GLY H H -16.940 15.650 -0.764 1.00 . A A . 28 GLY H 1 1 13 5336 1 1 28 GLY HA2 H -16.330 17.869 -0.486 1.00 . A A . 28 GLY HA2 1 1 13 5337 1 1 28 GLY HA3 H -15.281 17.404 0.870 1.00 . A A . 28 GLY HA3 1 1 13 5338 1 1 28 GLY N N -16.198 15.839 -0.148 1.00 . A A . 28 GLY N 1 1 13 5339 1 1 28 GLY O O -13.314 17.517 -0.718 1.00 . A A . 28 GLY O 1 1 13 5340 1 1 29 THR C C -12.943 17.290 -3.850 1.00 . A A . 29 THR C 1 1 13 5341 1 1 29 THR CA C -13.665 16.100 -3.178 1.00 . A A . 29 THR CA 1 1 13 5342 1 1 29 THR CB C -14.354 15.229 -4.248 1.00 . A A . 29 THR CB 1 1 13 5343 1 1 29 THR CG2 C -13.341 14.426 -5.062 1.00 . A A . 29 THR CG2 1 1 13 5344 1 1 29 THR H H -15.597 16.277 -2.413 1.00 . A A . 29 THR H 1 1 13 5345 1 1 29 THR HA H -12.939 15.477 -2.681 1.00 . A A . 29 THR HA 1 1 13 5346 1 1 29 THR HB H -14.922 15.870 -4.904 1.00 . A A . 29 THR HB 1 1 13 5347 1 1 29 THR HG1 H -15.987 14.163 -4.182 1.00 . A A . 29 THR HG1 1 1 13 5348 1 1 29 THR HG21 H -12.784 13.775 -4.404 1.00 . A A . 29 THR HG21 1 1 13 5349 1 1 29 THR HG22 H -12.661 15.104 -5.557 1.00 . A A . 29 THR HG22 1 1 13 5350 1 1 29 THR HG23 H -13.860 13.834 -5.800 1.00 . A A . 29 THR HG23 1 1 13 5351 1 1 29 THR N N -14.663 16.489 -2.197 1.00 . A A . 29 THR N 1 1 13 5352 1 1 29 THR O O -11.900 17.100 -4.483 1.00 . A A . 29 THR O 1 1 13 5353 1 1 29 THR OG1 O -15.238 14.307 -3.590 1.00 . A A . 29 THR OG1 1 1 13 5354 1 1 30 ASN C C -11.851 20.297 -3.394 1.00 . A A . 30 ASN C 1 1 13 5355 1 1 30 ASN CA C -12.857 19.657 -4.345 1.00 . A A . 30 ASN CA 1 1 13 5356 1 1 30 ASN CB C -13.907 20.697 -4.791 1.00 . A A . 30 ASN CB 1 1 13 5357 1 1 30 ASN CG C -14.840 20.185 -5.880 1.00 . A A . 30 ASN CG 1 1 13 5358 1 1 30 ASN H H -14.283 18.608 -3.169 1.00 . A A . 30 ASN H 1 1 13 5359 1 1 30 ASN HA H -12.334 19.296 -5.218 1.00 . A A . 30 ASN HA 1 1 13 5360 1 1 30 ASN HB2 H -14.506 20.980 -3.938 1.00 . A A . 30 ASN HB2 1 1 13 5361 1 1 30 ASN HB3 H -13.394 21.571 -5.163 1.00 . A A . 30 ASN HB3 1 1 13 5362 1 1 30 ASN HD21 H -16.262 21.418 -5.282 1.00 . A A . 30 ASN HD21 1 1 13 5363 1 1 30 ASN HD22 H -16.670 20.416 -6.624 1.00 . A A . 30 ASN HD22 1 1 13 5364 1 1 30 ASN N N -13.477 18.491 -3.719 1.00 . A A . 30 ASN N 1 1 13 5365 1 1 30 ASN ND2 N -16.037 20.719 -5.937 1.00 . A A . 30 ASN ND2 1 1 13 5366 1 1 30 ASN O O -12.246 20.915 -2.400 1.00 . A A . 30 ASN O 1 1 13 5367 1 1 30 ASN OD1 O -14.471 19.320 -6.685 1.00 . A A . 30 ASN OD1 1 1 13 5368 1 1 31 PRO C C -9.209 22.128 -3.188 1.00 . A A . 31 PRO C 1 1 13 5369 1 1 31 PRO CA C -9.500 20.690 -2.803 1.00 . A A . 31 PRO CA 1 1 13 5370 1 1 31 PRO CB C -8.272 19.794 -3.080 1.00 . A A . 31 PRO CB 1 1 13 5371 1 1 31 PRO CD C -9.945 19.408 -4.771 1.00 . A A . 31 PRO CD 1 1 13 5372 1 1 31 PRO CG C -8.681 18.854 -4.178 1.00 . A A . 31 PRO CG 1 1 13 5373 1 1 31 PRO HA H -9.765 20.642 -1.759 1.00 . A A . 31 PRO HA 1 1 13 5374 1 1 31 PRO HB2 H -7.441 20.413 -3.384 1.00 . A A . 31 PRO HB2 1 1 13 5375 1 1 31 PRO HB3 H -8.008 19.256 -2.181 1.00 . A A . 31 PRO HB3 1 1 13 5376 1 1 31 PRO HD2 H -9.722 20.075 -5.591 1.00 . A A . 31 PRO HD2 1 1 13 5377 1 1 31 PRO HD3 H -10.573 18.591 -5.091 1.00 . A A . 31 PRO HD3 1 1 13 5378 1 1 31 PRO HG2 H -7.906 18.803 -4.928 1.00 . A A . 31 PRO HG2 1 1 13 5379 1 1 31 PRO HG3 H -8.862 17.871 -3.765 1.00 . A A . 31 PRO HG3 1 1 13 5380 1 1 31 PRO N N -10.536 20.133 -3.646 1.00 . A A . 31 PRO N 1 1 13 5381 1 1 31 PRO O O -9.662 23.049 -2.485 1.00 . A A . 31 PRO O 1 1 13 5382 1 1 31 PRO OXT O -8.556 22.356 -4.231 1.00 . A A . 31 PRO OXT 1 1 14 5383 1 1 1 ASP C C 4.797 13.909 4.302 1.00 . A A . 1 ASP C 1 1 14 5384 1 1 1 ASP CA C 6.092 14.126 5.025 1.00 . A A . 1 ASP CA 1 1 14 5385 1 1 1 ASP CB C 6.803 12.775 5.230 1.00 . A A . 1 ASP CB 1 1 14 5386 1 1 1 ASP CG C 8.158 12.902 5.875 1.00 . A A . 1 ASP CG 1 1 14 5387 1 1 1 ASP H1 H 6.649 14.950 6.873 1.00 . A A . 1 ASP H1 1 1 14 5388 1 1 1 ASP H2 H 5.114 14.213 6.835 1.00 . A A . 1 ASP H2 1 1 14 5389 1 1 1 ASP H3 H 5.348 15.694 6.092 1.00 . A A . 1 ASP H3 1 1 14 5390 1 1 1 ASP HA H 6.719 14.786 4.444 1.00 . A A . 1 ASP HA 1 1 14 5391 1 1 1 ASP HB2 H 6.193 12.143 5.858 1.00 . A A . 1 ASP HB2 1 1 14 5392 1 1 1 ASP HB3 H 6.924 12.295 4.270 1.00 . A A . 1 ASP HB3 1 1 14 5393 1 1 1 ASP N N 5.801 14.780 6.299 1.00 . A A . 1 ASP N 1 1 14 5394 1 1 1 ASP O O 3.728 14.022 4.906 1.00 . A A . 1 ASP O 1 1 14 5395 1 1 1 ASP OD1 O 8.234 12.971 7.119 1.00 . A A . 1 ASP OD1 1 1 14 5396 1 1 1 ASP OD2 O 9.177 12.931 5.160 1.00 . A A . 1 ASP OD2 1 1 14 5397 1 1 2 VAL C C 3.707 11.901 1.803 1.00 . A A . 2 VAL C 1 1 14 5398 1 1 2 VAL CA C 3.685 13.349 2.246 1.00 . A A . 2 VAL CA 1 1 14 5399 1 1 2 VAL CB C 3.566 14.288 1.004 1.00 . A A . 2 VAL CB 1 1 14 5400 1 1 2 VAL CG1 C 3.445 15.745 1.429 1.00 . A A . 2 VAL CG1 1 1 14 5401 1 1 2 VAL CG2 C 4.746 14.107 0.054 1.00 . A A . 2 VAL CG2 1 1 14 5402 1 1 2 VAL H H 5.740 13.538 2.591 1.00 . A A . 2 VAL H 1 1 14 5403 1 1 2 VAL HA H 2.829 13.499 2.888 1.00 . A A . 2 VAL HA 1 1 14 5404 1 1 2 VAL HB H 2.661 14.024 0.478 1.00 . A A . 2 VAL HB 1 1 14 5405 1 1 2 VAL HG11 H 2.562 15.870 2.040 1.00 . A A . 2 VAL HG11 1 1 14 5406 1 1 2 VAL HG12 H 3.368 16.372 0.553 1.00 . A A . 2 VAL HG12 1 1 14 5407 1 1 2 VAL HG13 H 4.317 16.026 1.998 1.00 . A A . 2 VAL HG13 1 1 14 5408 1 1 2 VAL HG21 H 4.644 14.782 -0.781 1.00 . A A . 2 VAL HG21 1 1 14 5409 1 1 2 VAL HG22 H 4.765 13.088 -0.305 1.00 . A A . 2 VAL HG22 1 1 14 5410 1 1 2 VAL HG23 H 5.664 14.320 0.578 1.00 . A A . 2 VAL HG23 1 1 14 5411 1 1 2 VAL N N 4.867 13.614 3.033 1.00 . A A . 2 VAL N 1 1 14 5412 1 1 2 VAL O O 4.707 11.201 2.002 1.00 . A A . 2 VAL O 1 1 14 5413 1 1 3 SER C C 1.844 10.037 -0.557 1.00 . A A . 3 SER C 1 1 14 5414 1 1 3 SER CA C 2.567 10.090 0.779 1.00 . A A . 3 SER CA 1 1 14 5415 1 1 3 SER CB C 1.861 9.215 1.819 1.00 . A A . 3 SER CB 1 1 14 5416 1 1 3 SER H H 1.852 12.020 1.137 1.00 . A A . 3 SER H 1 1 14 5417 1 1 3 SER HA H 3.578 9.731 0.655 1.00 . A A . 3 SER HA 1 1 14 5418 1 1 3 SER HB2 H 0.846 9.559 1.945 1.00 . A A . 3 SER HB2 1 1 14 5419 1 1 3 SER HB3 H 1.861 8.187 1.490 1.00 . A A . 3 SER HB3 1 1 14 5420 1 1 3 SER HG H 3.412 9.645 2.859 1.00 . A A . 3 SER HG 1 1 14 5421 1 1 3 SER N N 2.636 11.440 1.246 1.00 . A A . 3 SER N 1 1 14 5422 1 1 3 SER O O 0.645 10.343 -0.627 1.00 . A A . 3 SER O 1 1 14 5423 1 1 3 SER OG O 2.533 9.299 3.076 1.00 . A A . 3 SER OG 1 1 14 5424 1 1 4 PRO C C 0.969 8.408 -2.899 1.00 . A A . 4 PRO C 1 1 14 5425 1 1 4 PRO CA C 1.980 9.543 -2.964 1.00 . A A . 4 PRO CA 1 1 14 5426 1 1 4 PRO CB C 3.165 9.131 -3.845 1.00 . A A . 4 PRO CB 1 1 14 5427 1 1 4 PRO CD C 4.044 9.592 -1.674 1.00 . A A . 4 PRO CD 1 1 14 5428 1 1 4 PRO CG C 4.371 9.633 -3.135 1.00 . A A . 4 PRO CG 1 1 14 5429 1 1 4 PRO HA H 1.514 10.443 -3.339 1.00 . A A . 4 PRO HA 1 1 14 5430 1 1 4 PRO HB2 H 3.179 8.054 -3.932 1.00 . A A . 4 PRO HB2 1 1 14 5431 1 1 4 PRO HB3 H 3.067 9.571 -4.827 1.00 . A A . 4 PRO HB3 1 1 14 5432 1 1 4 PRO HD2 H 4.343 8.650 -1.240 1.00 . A A . 4 PRO HD2 1 1 14 5433 1 1 4 PRO HD3 H 4.520 10.414 -1.160 1.00 . A A . 4 PRO HD3 1 1 14 5434 1 1 4 PRO HG2 H 5.214 8.994 -3.348 1.00 . A A . 4 PRO HG2 1 1 14 5435 1 1 4 PRO HG3 H 4.587 10.646 -3.442 1.00 . A A . 4 PRO HG3 1 1 14 5436 1 1 4 PRO N N 2.577 9.739 -1.646 1.00 . A A . 4 PRO N 1 1 14 5437 1 1 4 PRO O O 1.266 7.351 -2.335 1.00 . A A . 4 PRO O 1 1 14 5438 1 1 5 CYS C C -0.886 6.380 -4.067 1.00 . A A . 5 CYS C 1 1 14 5439 1 1 5 CYS CA C -1.286 7.668 -3.395 1.00 . A A . 5 CYS CA 1 1 14 5440 1 1 5 CYS CB C -2.514 8.201 -4.095 1.00 . A A . 5 CYS CB 1 1 14 5441 1 1 5 CYS H H -0.357 9.491 -3.891 1.00 . A A . 5 CYS H 1 1 14 5442 1 1 5 CYS HA H -1.536 7.474 -2.363 1.00 . A A . 5 CYS HA 1 1 14 5443 1 1 5 CYS HB2 H -2.770 9.189 -3.744 1.00 . A A . 5 CYS HB2 1 1 14 5444 1 1 5 CYS HB3 H -2.239 8.223 -5.141 1.00 . A A . 5 CYS HB3 1 1 14 5445 1 1 5 CYS N N -0.205 8.635 -3.438 1.00 . A A . 5 CYS N 1 1 14 5446 1 1 5 CYS O O -0.673 6.338 -5.294 1.00 . A A . 5 CYS O 1 1 14 5447 1 1 5 CYS SG S -3.975 7.115 -3.956 1.00 . A A . 5 CYS SG 1 1 14 5448 1 1 6 PHE C C -1.502 3.122 -3.377 1.00 . A A . 6 PHE C 1 1 14 5449 1 1 6 PHE CA C -0.447 4.094 -3.833 1.00 . A A . 6 PHE CA 1 1 14 5450 1 1 6 PHE CB C 0.940 3.649 -3.397 1.00 . A A . 6 PHE CB 1 1 14 5451 1 1 6 PHE CD1 C 1.578 1.261 -3.790 1.00 . A A . 6 PHE CD1 1 1 14 5452 1 1 6 PHE CD2 C 1.819 2.839 -5.545 1.00 . A A . 6 PHE CD2 1 1 14 5453 1 1 6 PHE CE1 C 2.045 0.267 -4.623 1.00 . A A . 6 PHE CE1 1 1 14 5454 1 1 6 PHE CE2 C 2.283 1.868 -6.377 1.00 . A A . 6 PHE CE2 1 1 14 5455 1 1 6 PHE CG C 1.464 2.557 -4.251 1.00 . A A . 6 PHE CG 1 1 14 5456 1 1 6 PHE CZ C 2.399 0.570 -5.923 1.00 . A A . 6 PHE CZ 1 1 14 5457 1 1 6 PHE H H -0.867 5.470 -2.328 1.00 . A A . 6 PHE H 1 1 14 5458 1 1 6 PHE HA H -0.475 4.169 -4.911 1.00 . A A . 6 PHE HA 1 1 14 5459 1 1 6 PHE HB2 H 1.620 4.486 -3.459 1.00 . A A . 6 PHE HB2 1 1 14 5460 1 1 6 PHE HB3 H 0.900 3.292 -2.378 1.00 . A A . 6 PHE HB3 1 1 14 5461 1 1 6 PHE HD1 H 1.301 1.030 -2.773 1.00 . A A . 6 PHE HD1 1 1 14 5462 1 1 6 PHE HD2 H 1.727 3.854 -5.904 1.00 . A A . 6 PHE HD2 1 1 14 5463 1 1 6 PHE HE1 H 2.131 -0.746 -4.259 1.00 . A A . 6 PHE HE1 1 1 14 5464 1 1 6 PHE HE2 H 2.542 2.154 -7.386 1.00 . A A . 6 PHE HE2 1 1 14 5465 1 1 6 PHE HZ H 2.766 -0.206 -6.579 1.00 . A A . 6 PHE HZ 1 1 14 5466 1 1 6 PHE N N -0.756 5.359 -3.300 1.00 . A A . 6 PHE N 1 1 14 5467 1 1 6 PHE O O -1.864 3.110 -2.207 1.00 . A A . 6 PHE O 1 1 14 5468 1 1 7 CYS C C -2.651 0.048 -4.450 1.00 . A A . 7 CYS C 1 1 14 5469 1 1 7 CYS CA C -3.046 1.406 -3.972 1.00 . A A . 7 CYS CA 1 1 14 5470 1 1 7 CYS CB C -4.367 1.787 -4.620 1.00 . A A . 7 CYS CB 1 1 14 5471 1 1 7 CYS H H -1.689 2.395 -5.209 1.00 . A A . 7 CYS H 1 1 14 5472 1 1 7 CYS HA H -3.180 1.381 -2.901 1.00 . A A . 7 CYS HA 1 1 14 5473 1 1 7 CYS HB2 H -4.242 1.775 -5.689 1.00 . A A . 7 CYS HB2 1 1 14 5474 1 1 7 CYS HB3 H -5.096 1.034 -4.358 1.00 . A A . 7 CYS HB3 1 1 14 5475 1 1 7 CYS N N -2.014 2.353 -4.285 1.00 . A A . 7 CYS N 1 1 14 5476 1 1 7 CYS O O -1.952 -0.083 -5.454 1.00 . A A . 7 CYS O 1 1 14 5477 1 1 7 CYS SG S -5.036 3.398 -4.129 1.00 . A A . 7 CYS SG 1 1 14 5478 1 1 8 VAL C C -4.063 -3.098 -3.770 1.00 . A A . 8 VAL C 1 1 14 5479 1 1 8 VAL CA C -2.812 -2.326 -4.085 1.00 . A A . 8 VAL CA 1 1 14 5480 1 1 8 VAL CB C -1.666 -2.977 -3.259 1.00 . A A . 8 VAL CB 1 1 14 5481 1 1 8 VAL CG1 C -1.247 -4.321 -3.857 1.00 . A A . 8 VAL CG1 1 1 14 5482 1 1 8 VAL CG2 C -0.471 -2.056 -3.063 1.00 . A A . 8 VAL CG2 1 1 14 5483 1 1 8 VAL H H -3.581 -0.754 -2.911 1.00 . A A . 8 VAL H 1 1 14 5484 1 1 8 VAL HA H -2.584 -2.385 -5.138 1.00 . A A . 8 VAL HA 1 1 14 5485 1 1 8 VAL HB H -2.109 -3.198 -2.303 1.00 . A A . 8 VAL HB 1 1 14 5486 1 1 8 VAL HG11 H -0.464 -4.755 -3.255 1.00 . A A . 8 VAL HG11 1 1 14 5487 1 1 8 VAL HG12 H -0.884 -4.170 -4.863 1.00 . A A . 8 VAL HG12 1 1 14 5488 1 1 8 VAL HG13 H -2.098 -4.987 -3.878 1.00 . A A . 8 VAL HG13 1 1 14 5489 1 1 8 VAL HG21 H 0.274 -2.554 -2.461 1.00 . A A . 8 VAL HG21 1 1 14 5490 1 1 8 VAL HG22 H -0.791 -1.152 -2.567 1.00 . A A . 8 VAL HG22 1 1 14 5491 1 1 8 VAL HG23 H -0.049 -1.807 -4.026 1.00 . A A . 8 VAL HG23 1 1 14 5492 1 1 8 VAL N N -3.064 -0.951 -3.726 1.00 . A A . 8 VAL N 1 1 14 5493 1 1 8 VAL O O -4.692 -2.868 -2.729 1.00 . A A . 8 VAL O 1 1 14 5494 1 1 9 GLU C C -5.106 -6.047 -3.695 1.00 . A A . 9 GLU C 1 1 14 5495 1 1 9 GLU CA C -5.575 -4.801 -4.393 1.00 . A A . 9 GLU CA 1 1 14 5496 1 1 9 GLU CB C -6.326 -5.122 -5.676 1.00 . A A . 9 GLU CB 1 1 14 5497 1 1 9 GLU CD C -8.464 -6.003 -6.641 1.00 . A A . 9 GLU CD 1 1 14 5498 1 1 9 GLU CG C -7.617 -5.867 -5.419 1.00 . A A . 9 GLU CG 1 1 14 5499 1 1 9 GLU H H -3.894 -4.079 -5.442 1.00 . A A . 9 GLU H 1 1 14 5500 1 1 9 GLU HA H -6.238 -4.287 -3.712 1.00 . A A . 9 GLU HA 1 1 14 5501 1 1 9 GLU HB2 H -6.554 -4.199 -6.191 1.00 . A A . 9 GLU HB2 1 1 14 5502 1 1 9 GLU HB3 H -5.700 -5.735 -6.305 1.00 . A A . 9 GLU HB3 1 1 14 5503 1 1 9 GLU HG2 H -7.377 -6.856 -5.057 1.00 . A A . 9 GLU HG2 1 1 14 5504 1 1 9 GLU HG3 H -8.176 -5.339 -4.661 1.00 . A A . 9 GLU HG3 1 1 14 5505 1 1 9 GLU N N -4.438 -3.973 -4.635 1.00 . A A . 9 GLU N 1 1 14 5506 1 1 9 GLU O O -4.379 -6.864 -4.270 1.00 . A A . 9 GLU O 1 1 14 5507 1 1 9 GLU OE1 O -9.255 -5.090 -6.927 1.00 . A A . 9 GLU OE1 1 1 14 5508 1 1 9 GLU OE2 O -8.368 -7.028 -7.330 1.00 . A A . 9 GLU OE2 1 1 14 5509 1 1 10 ASP C C -6.066 -8.344 -1.609 1.00 . A A . 10 ASP C 1 1 14 5510 1 1 10 ASP CA C -5.031 -7.261 -1.639 1.00 . A A . 10 ASP CA 1 1 14 5511 1 1 10 ASP CB C -4.675 -6.817 -0.226 1.00 . A A . 10 ASP CB 1 1 14 5512 1 1 10 ASP CG C -4.361 -7.991 0.659 1.00 . A A . 10 ASP CG 1 1 14 5513 1 1 10 ASP H H -6.051 -5.483 -2.051 1.00 . A A . 10 ASP H 1 1 14 5514 1 1 10 ASP HA H -4.147 -7.689 -2.089 1.00 . A A . 10 ASP HA 1 1 14 5515 1 1 10 ASP HB2 H -3.811 -6.168 -0.261 1.00 . A A . 10 ASP HB2 1 1 14 5516 1 1 10 ASP HB3 H -5.512 -6.280 0.197 1.00 . A A . 10 ASP HB3 1 1 14 5517 1 1 10 ASP N N -5.456 -6.156 -2.449 1.00 . A A . 10 ASP N 1 1 14 5518 1 1 10 ASP O O -7.209 -8.122 -1.203 1.00 . A A . 10 ASP O 1 1 14 5519 1 1 10 ASP OD1 O -5.003 -8.145 1.684 1.00 . A A . 10 ASP OD1 1 1 14 5520 1 1 10 ASP OD2 O -3.502 -8.817 0.301 1.00 . A A . 10 ASP OD2 1 1 14 5521 1 1 11 GLU C C -6.863 -11.170 -0.712 1.00 . A A . 11 GLU C 1 1 14 5522 1 1 11 GLU CA C -6.479 -10.690 -2.111 1.00 . A A . 11 GLU CA 1 1 14 5523 1 1 11 GLU CB C -5.705 -11.792 -2.847 1.00 . A A . 11 GLU CB 1 1 14 5524 1 1 11 GLU CD C -7.698 -12.690 -4.043 1.00 . A A . 11 GLU CD 1 1 14 5525 1 1 11 GLU CG C -6.516 -13.023 -3.185 1.00 . A A . 11 GLU CG 1 1 14 5526 1 1 11 GLU H H -4.722 -9.561 -2.354 1.00 . A A . 11 GLU H 1 1 14 5527 1 1 11 GLU HA H -7.369 -10.460 -2.677 1.00 . A A . 11 GLU HA 1 1 14 5528 1 1 11 GLU HB2 H -5.317 -11.394 -3.771 1.00 . A A . 11 GLU HB2 1 1 14 5529 1 1 11 GLU HB3 H -4.876 -12.097 -2.226 1.00 . A A . 11 GLU HB3 1 1 14 5530 1 1 11 GLU HG2 H -5.888 -13.721 -3.717 1.00 . A A . 11 GLU HG2 1 1 14 5531 1 1 11 GLU HG3 H -6.866 -13.475 -2.268 1.00 . A A . 11 GLU HG3 1 1 14 5532 1 1 11 GLU N N -5.650 -9.507 -2.038 1.00 . A A . 11 GLU N 1 1 14 5533 1 1 11 GLU O O -7.946 -11.708 -0.512 1.00 . A A . 11 GLU O 1 1 14 5534 1 1 11 GLU OE1 O -8.843 -12.882 -3.598 1.00 . A A . 11 GLU OE1 1 1 14 5535 1 1 11 GLU OE2 O -7.505 -12.198 -5.167 1.00 . A A . 11 GLU OE2 1 1 14 5536 1 1 12 THR C C -7.353 -10.612 2.271 1.00 . A A . 12 THR C 1 1 14 5537 1 1 12 THR CA C -6.211 -11.399 1.601 1.00 . A A . 12 THR CA 1 1 14 5538 1 1 12 THR CB C -4.912 -11.281 2.411 1.00 . A A . 12 THR CB 1 1 14 5539 1 1 12 THR CG2 C -5.044 -11.967 3.766 1.00 . A A . 12 THR CG2 1 1 14 5540 1 1 12 THR H H -5.179 -10.414 0.056 1.00 . A A . 12 THR H 1 1 14 5541 1 1 12 THR HA H -6.495 -12.439 1.550 1.00 . A A . 12 THR HA 1 1 14 5542 1 1 12 THR HB H -4.685 -10.235 2.551 1.00 . A A . 12 THR HB 1 1 14 5543 1 1 12 THR HG1 H -4.199 -12.772 1.376 1.00 . A A . 12 THR HG1 1 1 14 5544 1 1 12 THR HG21 H -5.845 -11.507 4.325 1.00 . A A . 12 THR HG21 1 1 14 5545 1 1 12 THR HG22 H -4.118 -11.865 4.314 1.00 . A A . 12 THR HG22 1 1 14 5546 1 1 12 THR HG23 H -5.261 -13.015 3.620 1.00 . A A . 12 THR HG23 1 1 14 5547 1 1 12 THR N N -5.992 -10.933 0.249 1.00 . A A . 12 THR N 1 1 14 5548 1 1 12 THR O O -8.245 -11.196 2.891 1.00 . A A . 12 THR O 1 1 14 5549 1 1 12 THR OG1 O -3.852 -11.917 1.663 1.00 . A A . 12 THR OG1 1 1 14 5550 1 1 13 SER C C -9.576 -8.480 1.732 1.00 . A A . 13 SER C 1 1 14 5551 1 1 13 SER CA C -8.352 -8.453 2.635 1.00 . A A . 13 SER CA 1 1 14 5552 1 1 13 SER CB C -7.810 -7.032 2.732 1.00 . A A . 13 SER CB 1 1 14 5553 1 1 13 SER H H -6.552 -8.910 1.652 1.00 . A A . 13 SER H 1 1 14 5554 1 1 13 SER HA H -8.630 -8.784 3.620 1.00 . A A . 13 SER HA 1 1 14 5555 1 1 13 SER HB2 H -7.649 -6.675 1.730 1.00 . A A . 13 SER HB2 1 1 14 5556 1 1 13 SER HB3 H -8.527 -6.401 3.236 1.00 . A A . 13 SER HB3 1 1 14 5557 1 1 13 SER HG H -5.923 -7.491 2.900 1.00 . A A . 13 SER HG 1 1 14 5558 1 1 13 SER N N -7.329 -9.314 2.105 1.00 . A A . 13 SER N 1 1 14 5559 1 1 13 SER O O -10.708 -8.261 2.181 1.00 . A A . 13 SER O 1 1 14 5560 1 1 13 SER OG O -6.569 -7.008 3.449 1.00 . A A . 13 SER OG 1 1 14 5561 1 1 14 GLY C C -10.826 -7.372 -0.798 1.00 . A A . 14 GLY C 1 1 14 5562 1 1 14 GLY CA C -10.399 -8.779 -0.506 1.00 . A A . 14 GLY CA 1 1 14 5563 1 1 14 GLY H H -8.433 -8.993 0.178 1.00 . A A . 14 GLY H 1 1 14 5564 1 1 14 GLY HA2 H -10.036 -9.241 -1.412 1.00 . A A . 14 GLY HA2 1 1 14 5565 1 1 14 GLY HA3 H -11.242 -9.335 -0.124 1.00 . A A . 14 GLY HA3 1 1 14 5566 1 1 14 GLY N N -9.346 -8.777 0.465 1.00 . A A . 14 GLY N 1 1 14 5567 1 1 14 GLY O O -12.018 -7.094 -0.985 1.00 . A A . 14 GLY O 1 1 14 5568 1 1 15 ALA C C -8.807 -4.364 -1.404 1.00 . A A . 15 ALA C 1 1 14 5569 1 1 15 ALA CA C -10.091 -5.067 -1.001 1.00 . A A . 15 ALA CA 1 1 14 5570 1 1 15 ALA CB C -10.640 -4.431 0.269 1.00 . A A . 15 ALA CB 1 1 14 5571 1 1 15 ALA H H -8.931 -6.778 -0.632 1.00 . A A . 15 ALA H 1 1 14 5572 1 1 15 ALA HA H -10.828 -4.956 -1.783 1.00 . A A . 15 ALA HA 1 1 14 5573 1 1 15 ALA HB1 H -9.915 -4.535 1.063 1.00 . A A . 15 ALA HB1 1 1 14 5574 1 1 15 ALA HB2 H -11.558 -4.922 0.553 1.00 . A A . 15 ALA HB2 1 1 14 5575 1 1 15 ALA HB3 H -10.830 -3.382 0.094 1.00 . A A . 15 ALA HB3 1 1 14 5576 1 1 15 ALA N N -9.853 -6.475 -0.787 1.00 . A A . 15 ALA N 1 1 14 5577 1 1 15 ALA O O -7.698 -4.815 -1.064 1.00 . A A . 15 ALA O 1 1 14 5578 1 1 16 LYS C C -7.578 -1.468 -1.442 1.00 . A A . 16 LYS C 1 1 14 5579 1 1 16 LYS CA C -7.854 -2.473 -2.534 1.00 . A A . 16 LYS CA 1 1 14 5580 1 1 16 LYS CB C -8.128 -1.785 -3.872 1.00 . A A . 16 LYS CB 1 1 14 5581 1 1 16 LYS CD C -7.321 -0.257 -5.716 1.00 . A A . 16 LYS CD 1 1 14 5582 1 1 16 LYS CE C -7.661 -1.257 -6.813 1.00 . A A . 16 LYS CE 1 1 14 5583 1 1 16 LYS CG C -6.970 -0.956 -4.401 1.00 . A A . 16 LYS CG 1 1 14 5584 1 1 16 LYS H H -9.833 -3.084 -2.511 1.00 . A A . 16 LYS H 1 1 14 5585 1 1 16 LYS HA H -6.967 -3.074 -2.616 1.00 . A A . 16 LYS HA 1 1 14 5586 1 1 16 LYS HB2 H -8.354 -2.546 -4.603 1.00 . A A . 16 LYS HB2 1 1 14 5587 1 1 16 LYS HB3 H -8.986 -1.138 -3.762 1.00 . A A . 16 LYS HB3 1 1 14 5588 1 1 16 LYS HD2 H -8.175 0.385 -5.554 1.00 . A A . 16 LYS HD2 1 1 14 5589 1 1 16 LYS HD3 H -6.479 0.340 -6.031 1.00 . A A . 16 LYS HD3 1 1 14 5590 1 1 16 LYS HE2 H -6.828 -1.932 -6.939 1.00 . A A . 16 LYS HE2 1 1 14 5591 1 1 16 LYS HE3 H -8.531 -1.822 -6.514 1.00 . A A . 16 LYS HE3 1 1 14 5592 1 1 16 LYS HG2 H -6.706 -0.227 -3.650 1.00 . A A . 16 LYS HG2 1 1 14 5593 1 1 16 LYS HG3 H -6.127 -1.612 -4.562 1.00 . A A . 16 LYS HG3 1 1 14 5594 1 1 16 LYS HZ1 H -7.105 -0.079 -8.448 1.00 . A A . 16 LYS HZ1 1 1 14 5595 1 1 16 LYS HZ2 H -8.744 0.059 -8.020 1.00 . A A . 16 LYS HZ2 1 1 14 5596 1 1 16 LYS HZ3 H -8.206 -1.306 -8.817 1.00 . A A . 16 LYS HZ3 1 1 14 5597 1 1 16 LYS N N -8.950 -3.306 -2.157 1.00 . A A . 16 LYS N 1 1 14 5598 1 1 16 LYS NZ N -7.940 -0.596 -8.104 1.00 . A A . 16 LYS NZ 1 1 14 5599 1 1 16 LYS O O -8.422 -0.627 -1.116 1.00 . A A . 16 LYS O 1 1 14 5600 1 1 17 THR C C -5.062 0.330 -0.420 1.00 . A A . 17 THR C 1 1 14 5601 1 1 17 THR CA C -5.959 -0.746 0.177 1.00 . A A . 17 THR CA 1 1 14 5602 1 1 17 THR CB C -5.195 -1.602 1.254 1.00 . A A . 17 THR CB 1 1 14 5603 1 1 17 THR CG2 C -4.016 -2.370 0.652 1.00 . A A . 17 THR CG2 1 1 14 5604 1 1 17 THR H H -5.794 -2.258 -1.240 1.00 . A A . 17 THR H 1 1 14 5605 1 1 17 THR HA H -6.820 -0.282 0.638 1.00 . A A . 17 THR HA 1 1 14 5606 1 1 17 THR HB H -5.908 -2.312 1.642 1.00 . A A . 17 THR HB 1 1 14 5607 1 1 17 THR HG1 H -4.275 -1.402 2.962 1.00 . A A . 17 THR HG1 1 1 14 5608 1 1 17 THR HG21 H -3.526 -2.945 1.425 1.00 . A A . 17 THR HG21 1 1 14 5609 1 1 17 THR HG22 H -3.313 -1.670 0.225 1.00 . A A . 17 THR HG22 1 1 14 5610 1 1 17 THR HG23 H -4.374 -3.035 -0.119 1.00 . A A . 17 THR HG23 1 1 14 5611 1 1 17 THR N N -6.414 -1.584 -0.883 1.00 . A A . 17 THR N 1 1 14 5612 1 1 17 THR O O -4.356 0.074 -1.416 1.00 . A A . 17 THR O 1 1 14 5613 1 1 17 THR OG1 O -4.742 -0.801 2.364 1.00 . A A . 17 THR OG1 1 1 14 5614 1 1 18 CYS C C -3.580 3.308 0.708 1.00 . A A . 18 CYS C 1 1 14 5615 1 1 18 CYS CA C -4.317 2.600 -0.387 1.00 . A A . 18 CYS CA 1 1 14 5616 1 1 18 CYS CB C -5.167 3.616 -1.127 1.00 . A A . 18 CYS CB 1 1 14 5617 1 1 18 CYS H H -5.681 1.673 0.911 1.00 . A A . 18 CYS H 1 1 14 5618 1 1 18 CYS HA H -3.597 2.193 -1.081 1.00 . A A . 18 CYS HA 1 1 14 5619 1 1 18 CYS HB2 H -5.802 4.113 -0.414 1.00 . A A . 18 CYS HB2 1 1 14 5620 1 1 18 CYS HB3 H -4.498 4.361 -1.534 1.00 . A A . 18 CYS HB3 1 1 14 5621 1 1 18 CYS N N -5.109 1.514 0.130 1.00 . A A . 18 CYS N 1 1 14 5622 1 1 18 CYS O O -3.935 3.214 1.888 1.00 . A A . 18 CYS O 1 1 14 5623 1 1 18 CYS SG S -6.156 2.946 -2.503 1.00 . A A . 18 CYS SG 1 1 14 5624 1 1 19 VAL C C -1.505 6.149 0.506 1.00 . A A . 19 VAL C 1 1 14 5625 1 1 19 VAL CA C -1.767 4.791 1.182 1.00 . A A . 19 VAL CA 1 1 14 5626 1 1 19 VAL CB C -0.440 4.074 1.600 1.00 . A A . 19 VAL CB 1 1 14 5627 1 1 19 VAL CG1 C 0.423 3.686 0.402 1.00 . A A . 19 VAL CG1 1 1 14 5628 1 1 19 VAL CG2 C 0.345 4.919 2.589 1.00 . A A . 19 VAL CG2 1 1 14 5629 1 1 19 VAL H H -2.354 3.961 -0.645 1.00 . A A . 19 VAL H 1 1 14 5630 1 1 19 VAL HA H -2.372 4.962 2.060 1.00 . A A . 19 VAL HA 1 1 14 5631 1 1 19 VAL HB H -0.725 3.158 2.096 1.00 . A A . 19 VAL HB 1 1 14 5632 1 1 19 VAL HG11 H -0.122 2.998 -0.227 1.00 . A A . 19 VAL HG11 1 1 14 5633 1 1 19 VAL HG12 H 1.333 3.221 0.749 1.00 . A A . 19 VAL HG12 1 1 14 5634 1 1 19 VAL HG13 H 0.666 4.574 -0.163 1.00 . A A . 19 VAL HG13 1 1 14 5635 1 1 19 VAL HG21 H 0.587 5.869 2.137 1.00 . A A . 19 VAL HG21 1 1 14 5636 1 1 19 VAL HG22 H 1.257 4.404 2.855 1.00 . A A . 19 VAL HG22 1 1 14 5637 1 1 19 VAL HG23 H -0.249 5.083 3.477 1.00 . A A . 19 VAL HG23 1 1 14 5638 1 1 19 VAL N N -2.566 3.993 0.314 1.00 . A A . 19 VAL N 1 1 14 5639 1 1 19 VAL O O -0.975 6.203 -0.606 1.00 . A A . 19 VAL O 1 1 14 5640 1 1 20 PRO C C -4.123 6.702 2.214 1.00 . A A . 20 PRO C 1 1 14 5641 1 1 20 PRO CA C -2.692 7.228 2.387 1.00 . A A . 20 PRO CA 1 1 14 5642 1 1 20 PRO CB C -2.721 8.700 2.805 1.00 . A A . 20 PRO CB 1 1 14 5643 1 1 20 PRO CD C -1.809 8.627 0.608 1.00 . A A . 20 PRO CD 1 1 14 5644 1 1 20 PRO CG C -2.685 9.440 1.525 1.00 . A A . 20 PRO CG 1 1 14 5645 1 1 20 PRO HA H -2.175 6.646 3.137 1.00 . A A . 20 PRO HA 1 1 14 5646 1 1 20 PRO HB2 H -3.629 8.898 3.356 1.00 . A A . 20 PRO HB2 1 1 14 5647 1 1 20 PRO HB3 H -1.861 8.925 3.418 1.00 . A A . 20 PRO HB3 1 1 14 5648 1 1 20 PRO HD2 H -2.160 8.696 -0.411 1.00 . A A . 20 PRO HD2 1 1 14 5649 1 1 20 PRO HD3 H -0.783 8.953 0.674 1.00 . A A . 20 PRO HD3 1 1 14 5650 1 1 20 PRO HG2 H -3.690 9.523 1.140 1.00 . A A . 20 PRO HG2 1 1 14 5651 1 1 20 PRO HG3 H -2.278 10.427 1.668 1.00 . A A . 20 PRO HG3 1 1 14 5652 1 1 20 PRO N N -1.958 7.256 1.120 1.00 . A A . 20 PRO N 1 1 14 5653 1 1 20 PRO O O -4.621 6.555 1.089 1.00 . A A . 20 PRO O 1 1 14 5654 1 1 21 ASP C C -7.055 6.858 2.635 1.00 . A A . 21 ASP C 1 1 14 5655 1 1 21 ASP CA C -6.110 5.915 3.368 1.00 . A A . 21 ASP CA 1 1 14 5656 1 1 21 ASP CB C -6.526 5.787 4.830 1.00 . A A . 21 ASP CB 1 1 14 5657 1 1 21 ASP CG C -7.946 5.330 5.032 1.00 . A A . 21 ASP CG 1 1 14 5658 1 1 21 ASP H H -4.268 6.564 4.157 1.00 . A A . 21 ASP H 1 1 14 5659 1 1 21 ASP HA H -6.139 4.939 2.910 1.00 . A A . 21 ASP HA 1 1 14 5660 1 1 21 ASP HB2 H -5.873 5.088 5.332 1.00 . A A . 21 ASP HB2 1 1 14 5661 1 1 21 ASP HB3 H -6.418 6.759 5.284 1.00 . A A . 21 ASP HB3 1 1 14 5662 1 1 21 ASP N N -4.749 6.419 3.315 1.00 . A A . 21 ASP N 1 1 14 5663 1 1 21 ASP O O -6.997 8.065 2.832 1.00 . A A . 21 ASP O 1 1 14 5664 1 1 21 ASP OD1 O -8.803 6.156 5.347 1.00 . A A . 21 ASP OD1 1 1 14 5665 1 1 21 ASP OD2 O -8.219 4.120 4.945 1.00 . A A . 21 ASP OD2 1 1 14 5666 1 1 22 ASN C C -8.272 7.962 -0.081 1.00 . A A . 22 ASN C 1 1 14 5667 1 1 22 ASN CA C -8.863 7.006 0.964 1.00 . A A . 22 ASN CA 1 1 14 5668 1 1 22 ASN CB C -9.872 7.764 1.840 1.00 . A A . 22 ASN CB 1 1 14 5669 1 1 22 ASN CG C -10.798 6.894 2.683 1.00 . A A . 22 ASN CG 1 1 14 5670 1 1 22 ASN H H -7.821 5.330 1.625 1.00 . A A . 22 ASN H 1 1 14 5671 1 1 22 ASN HA H -9.410 6.249 0.423 1.00 . A A . 22 ASN HA 1 1 14 5672 1 1 22 ASN HB2 H -9.347 8.443 2.494 1.00 . A A . 22 ASN HB2 1 1 14 5673 1 1 22 ASN HB3 H -10.466 8.325 1.141 1.00 . A A . 22 ASN HB3 1 1 14 5674 1 1 22 ASN HD21 H -10.810 5.440 1.322 1.00 . A A . 22 ASN HD21 1 1 14 5675 1 1 22 ASN HD22 H -11.726 5.138 2.723 1.00 . A A . 22 ASN HD22 1 1 14 5676 1 1 22 ASN N N -7.864 6.297 1.757 1.00 . A A . 22 ASN N 1 1 14 5677 1 1 22 ASN ND2 N -11.142 5.729 2.201 1.00 . A A . 22 ASN ND2 1 1 14 5678 1 1 22 ASN O O -9.007 8.813 -0.610 1.00 . A A . 22 ASN O 1 1 14 5679 1 1 22 ASN OD1 O -11.233 7.299 3.767 1.00 . A A . 22 ASN OD1 1 1 14 5680 1 1 23 CYS C C -6.895 8.546 -2.802 1.00 . A A . 23 CYS C 1 1 14 5681 1 1 23 CYS CA C -6.350 8.718 -1.394 1.00 . A A . 23 CYS CA 1 1 14 5682 1 1 23 CYS CB C -4.834 8.552 -1.416 1.00 . A A . 23 CYS CB 1 1 14 5683 1 1 23 CYS H H -6.427 7.134 0.015 1.00 . A A . 23 CYS H 1 1 14 5684 1 1 23 CYS HA H -6.579 9.721 -1.082 1.00 . A A . 23 CYS HA 1 1 14 5685 1 1 23 CYS HB2 H -4.401 9.284 -2.080 1.00 . A A . 23 CYS HB2 1 1 14 5686 1 1 23 CYS HB3 H -4.460 8.713 -0.418 1.00 . A A . 23 CYS HB3 1 1 14 5687 1 1 23 CYS N N -6.985 7.818 -0.417 1.00 . A A . 23 CYS N 1 1 14 5688 1 1 23 CYS O O -6.912 9.494 -3.607 1.00 . A A . 23 CYS O 1 1 14 5689 1 1 23 CYS SG S -4.251 6.903 -1.958 1.00 . A A . 23 CYS SG 1 1 14 5690 1 1 24 ASP C C -9.277 7.435 -4.553 1.00 . A A . 24 ASP C 1 1 14 5691 1 1 24 ASP CA C -7.822 7.107 -4.437 1.00 . A A . 24 ASP CA 1 1 14 5692 1 1 24 ASP CB C -7.523 5.678 -4.902 1.00 . A A . 24 ASP CB 1 1 14 5693 1 1 24 ASP CG C -7.865 5.456 -6.360 1.00 . A A . 24 ASP CG 1 1 14 5694 1 1 24 ASP H H -7.436 6.708 -2.389 1.00 . A A . 24 ASP H 1 1 14 5695 1 1 24 ASP HA H -7.290 7.799 -5.074 1.00 . A A . 24 ASP HA 1 1 14 5696 1 1 24 ASP HB2 H -6.471 5.471 -4.764 1.00 . A A . 24 ASP HB2 1 1 14 5697 1 1 24 ASP HB3 H -8.100 4.986 -4.308 1.00 . A A . 24 ASP HB3 1 1 14 5698 1 1 24 ASP N N -7.365 7.373 -3.103 1.00 . A A . 24 ASP N 1 1 14 5699 1 1 24 ASP O O -10.154 6.586 -4.444 1.00 . A A . 24 ASP O 1 1 14 5700 1 1 24 ASP OD1 O -7.111 5.944 -7.248 1.00 . A A . 24 ASP OD1 1 1 14 5701 1 1 24 ASP OD2 O -8.869 4.780 -6.659 1.00 . A A . 24 ASP OD2 1 1 14 5702 1 1 25 ALA C C -10.553 10.709 -5.295 1.00 . A A . 25 ALA C 1 1 14 5703 1 1 25 ALA CA C -10.800 9.296 -4.856 1.00 . A A . 25 ALA CA 1 1 14 5704 1 1 25 ALA CB C -11.605 9.279 -3.563 1.00 . A A . 25 ALA CB 1 1 14 5705 1 1 25 ALA H H -8.720 9.280 -4.527 1.00 . A A . 25 ALA H 1 1 14 5706 1 1 25 ALA HA H -11.325 8.748 -5.626 1.00 . A A . 25 ALA HA 1 1 14 5707 1 1 25 ALA HB1 H -12.541 9.798 -3.711 1.00 . A A . 25 ALA HB1 1 1 14 5708 1 1 25 ALA HB2 H -11.035 9.765 -2.787 1.00 . A A . 25 ALA HB2 1 1 14 5709 1 1 25 ALA HB3 H -11.800 8.256 -3.282 1.00 . A A . 25 ALA HB3 1 1 14 5710 1 1 25 ALA N N -9.504 8.700 -4.654 1.00 . A A . 25 ALA N 1 1 14 5711 1 1 25 ALA O O -11.382 11.602 -5.115 1.00 . A A . 25 ALA O 1 1 14 5712 1 1 26 SER C C -8.507 12.093 -7.750 1.00 . A A . 26 SER C 1 1 14 5713 1 1 26 SER CA C -8.984 12.179 -6.316 1.00 . A A . 26 SER CA 1 1 14 5714 1 1 26 SER CB C -7.884 12.707 -5.383 1.00 . A A . 26 SER CB 1 1 14 5715 1 1 26 SER H H -8.832 10.132 -6.099 1.00 . A A . 26 SER H 1 1 14 5716 1 1 26 SER HA H -9.834 12.843 -6.264 1.00 . A A . 26 SER HA 1 1 14 5717 1 1 26 SER HB2 H -7.044 12.028 -5.411 1.00 . A A . 26 SER HB2 1 1 14 5718 1 1 26 SER HB3 H -7.565 13.685 -5.711 1.00 . A A . 26 SER HB3 1 1 14 5719 1 1 26 SER HG H -9.079 13.442 -4.004 1.00 . A A . 26 SER HG 1 1 14 5720 1 1 26 SER N N -9.409 10.899 -5.892 1.00 . A A . 26 SER N 1 1 14 5721 1 1 26 SER O O -7.376 11.703 -8.026 1.00 . A A . 26 SER O 1 1 14 5722 1 1 26 SER OG O -8.359 12.796 -4.031 1.00 . A A . 26 SER OG 1 1 14 5723 1 1 27 ARG C C -8.334 13.635 -10.388 1.00 . A A . 27 ARG C 1 1 14 5724 1 1 27 ARG CA C -9.086 12.368 -10.069 1.00 . A A . 27 ARG CA 1 1 14 5725 1 1 27 ARG CB C -10.362 12.304 -10.912 1.00 . A A . 27 ARG CB 1 1 14 5726 1 1 27 ARG CD C -11.395 12.469 -13.201 1.00 . A A . 27 ARG CD 1 1 14 5727 1 1 27 ARG CG C -10.108 12.340 -12.412 1.00 . A A . 27 ARG CG 1 1 14 5728 1 1 27 ARG CZ C -12.642 14.578 -13.747 1.00 . A A . 27 ARG CZ 1 1 14 5729 1 1 27 ARG H H -10.327 12.553 -8.370 1.00 . A A . 27 ARG H 1 1 14 5730 1 1 27 ARG HA H -8.465 11.516 -10.288 1.00 . A A . 27 ARG HA 1 1 14 5731 1 1 27 ARG HB2 H -10.891 11.393 -10.676 1.00 . A A . 27 ARG HB2 1 1 14 5732 1 1 27 ARG HB3 H -10.985 13.147 -10.654 1.00 . A A . 27 ARG HB3 1 1 14 5733 1 1 27 ARG HD2 H -11.160 12.468 -14.254 1.00 . A A . 27 ARG HD2 1 1 14 5734 1 1 27 ARG HD3 H -12.025 11.621 -12.975 1.00 . A A . 27 ARG HD3 1 1 14 5735 1 1 27 ARG HE H -12.255 13.873 -11.897 1.00 . A A . 27 ARG HE 1 1 14 5736 1 1 27 ARG HG2 H -9.474 13.185 -12.638 1.00 . A A . 27 ARG HG2 1 1 14 5737 1 1 27 ARG HG3 H -9.604 11.428 -12.698 1.00 . A A . 27 ARG HG3 1 1 14 5738 1 1 27 ARG HH11 H -11.824 13.700 -15.403 1.00 . A A . 27 ARG HH11 1 1 14 5739 1 1 27 ARG HH12 H -12.769 15.066 -15.733 1.00 . A A . 27 ARG HH12 1 1 14 5740 1 1 27 ARG HH21 H -13.553 15.735 -12.340 1.00 . A A . 27 ARG HH21 1 1 14 5741 1 1 27 ARG HH22 H -13.760 16.293 -13.940 1.00 . A A . 27 ARG HH22 1 1 14 5742 1 1 27 ARG N N -9.409 12.361 -8.661 1.00 . A A . 27 ARG N 1 1 14 5743 1 1 27 ARG NE N -12.127 13.710 -12.861 1.00 . A A . 27 ARG NE 1 1 14 5744 1 1 27 ARG NH1 N -12.399 14.439 -15.043 1.00 . A A . 27 ARG NH1 1 1 14 5745 1 1 27 ARG NH2 N -13.371 15.604 -13.320 1.00 . A A . 27 ARG NH2 1 1 14 5746 1 1 27 ARG O O -7.402 13.647 -11.183 1.00 . A A . 27 ARG O 1 1 14 5747 1 1 28 GLY C C -9.052 16.739 -10.872 1.00 . A A . 28 GLY C 1 1 14 5748 1 1 28 GLY CA C -8.169 15.960 -9.950 1.00 . A A . 28 GLY CA 1 1 14 5749 1 1 28 GLY H H -9.426 14.553 -9.047 1.00 . A A . 28 GLY H 1 1 14 5750 1 1 28 GLY HA2 H -8.076 16.479 -9.007 1.00 . A A . 28 GLY HA2 1 1 14 5751 1 1 28 GLY HA3 H -7.195 15.854 -10.404 1.00 . A A . 28 GLY HA3 1 1 14 5752 1 1 28 GLY N N -8.725 14.676 -9.721 1.00 . A A . 28 GLY N 1 1 14 5753 1 1 28 GLY O O -8.913 16.648 -12.093 1.00 . A A . 28 GLY O 1 1 14 5754 1 1 29 THR C C -10.168 19.355 -11.787 1.00 . A A . 29 THR C 1 1 14 5755 1 1 29 THR CA C -10.927 18.261 -11.054 1.00 . A A . 29 THR CA 1 1 14 5756 1 1 29 THR CB C -11.970 18.864 -10.109 1.00 . A A . 29 THR CB 1 1 14 5757 1 1 29 THR CG2 C -13.055 19.601 -10.885 1.00 . A A . 29 THR CG2 1 1 14 5758 1 1 29 THR H H -10.084 17.443 -9.320 1.00 . A A . 29 THR H 1 1 14 5759 1 1 29 THR HA H -11.425 17.627 -11.773 1.00 . A A . 29 THR HA 1 1 14 5760 1 1 29 THR HB H -11.478 19.549 -9.433 1.00 . A A . 29 THR HB 1 1 14 5761 1 1 29 THR HG1 H -13.392 18.124 -8.985 1.00 . A A . 29 THR HG1 1 1 14 5762 1 1 29 THR HG21 H -13.538 18.913 -11.563 1.00 . A A . 29 THR HG21 1 1 14 5763 1 1 29 THR HG22 H -12.610 20.409 -11.447 1.00 . A A . 29 THR HG22 1 1 14 5764 1 1 29 THR HG23 H -13.785 20.000 -10.196 1.00 . A A . 29 THR HG23 1 1 14 5765 1 1 29 THR N N -9.998 17.452 -10.299 1.00 . A A . 29 THR N 1 1 14 5766 1 1 29 THR O O -10.361 19.570 -12.986 1.00 . A A . 29 THR O 1 1 14 5767 1 1 29 THR OG1 O -12.560 17.797 -9.354 1.00 . A A . 29 THR OG1 1 1 14 5768 1 1 30 ASN C C -7.009 20.626 -11.379 1.00 . A A . 30 ASN C 1 1 14 5769 1 1 30 ASN CA C -8.440 20.995 -11.670 1.00 . A A . 30 ASN CA 1 1 14 5770 1 1 30 ASN CB C -8.738 22.414 -11.172 1.00 . A A . 30 ASN CB 1 1 14 5771 1 1 30 ASN CG C -7.873 23.470 -11.858 1.00 . A A . 30 ASN CG 1 1 14 5772 1 1 30 ASN H H -9.224 19.853 -10.109 1.00 . A A . 30 ASN H 1 1 14 5773 1 1 30 ASN HA H -8.596 20.953 -12.737 1.00 . A A . 30 ASN HA 1 1 14 5774 1 1 30 ASN HB2 H -9.778 22.642 -11.352 1.00 . A A . 30 ASN HB2 1 1 14 5775 1 1 30 ASN HB3 H -8.549 22.459 -10.110 1.00 . A A . 30 ASN HB3 1 1 14 5776 1 1 30 ASN HD21 H -6.525 23.392 -10.410 1.00 . A A . 30 ASN HD21 1 1 14 5777 1 1 30 ASN HD22 H -6.210 24.513 -11.678 1.00 . A A . 30 ASN HD22 1 1 14 5778 1 1 30 ASN N N -9.299 20.019 -11.074 1.00 . A A . 30 ASN N 1 1 14 5779 1 1 30 ASN ND2 N -6.764 23.819 -11.262 1.00 . A A . 30 ASN ND2 1 1 14 5780 1 1 30 ASN O O -6.513 20.865 -10.266 1.00 . A A . 30 ASN O 1 1 14 5781 1 1 30 ASN OD1 O -8.213 23.976 -12.926 1.00 . A A . 30 ASN OD1 1 1 14 5782 1 1 31 PRO C C -4.120 20.867 -12.192 1.00 . A A . 31 PRO C 1 1 14 5783 1 1 31 PRO CA C -4.953 19.601 -12.205 1.00 . A A . 31 PRO CA 1 1 14 5784 1 1 31 PRO CB C -4.663 18.756 -13.457 1.00 . A A . 31 PRO CB 1 1 14 5785 1 1 31 PRO CD C -6.933 19.442 -13.576 1.00 . A A . 31 PRO CD 1 1 14 5786 1 1 31 PRO CG C -6.000 18.337 -13.953 1.00 . A A . 31 PRO CG 1 1 14 5787 1 1 31 PRO HA H -4.760 19.034 -11.307 1.00 . A A . 31 PRO HA 1 1 14 5788 1 1 31 PRO HB2 H -4.143 19.362 -14.184 1.00 . A A . 31 PRO HB2 1 1 14 5789 1 1 31 PRO HB3 H -4.055 17.904 -13.190 1.00 . A A . 31 PRO HB3 1 1 14 5790 1 1 31 PRO HD2 H -6.939 20.211 -14.334 1.00 . A A . 31 PRO HD2 1 1 14 5791 1 1 31 PRO HD3 H -7.928 19.055 -13.414 1.00 . A A . 31 PRO HD3 1 1 14 5792 1 1 31 PRO HG2 H -5.975 18.212 -15.026 1.00 . A A . 31 PRO HG2 1 1 14 5793 1 1 31 PRO HG3 H -6.300 17.416 -13.476 1.00 . A A . 31 PRO HG3 1 1 14 5794 1 1 31 PRO N N -6.355 19.945 -12.322 1.00 . A A . 31 PRO N 1 1 14 5795 1 1 31 PRO O O -3.951 21.510 -13.259 1.00 . A A . 31 PRO O 1 1 14 5796 1 1 31 PRO OXT O -3.668 21.266 -11.105 1.00 . A A . 31 PRO OXT 1 1 15 5797 1 1 1 ASP C C 6.197 12.041 4.841 1.00 . A A . 1 ASP C 1 1 15 5798 1 1 1 ASP CA C 7.657 11.846 5.142 1.00 . A A . 1 ASP CA 1 1 15 5799 1 1 1 ASP CB C 7.836 10.600 6.001 1.00 . A A . 1 ASP CB 1 1 15 5800 1 1 1 ASP CG C 7.257 9.369 5.353 1.00 . A A . 1 ASP CG 1 1 15 5801 1 1 1 ASP H1 H 8.114 13.834 5.151 1.00 . A A . 1 ASP H1 1 1 15 5802 1 1 1 ASP H2 H 9.208 12.874 6.033 1.00 . A A . 1 ASP H2 1 1 15 5803 1 1 1 ASP H3 H 7.661 13.223 6.660 1.00 . A A . 1 ASP H3 1 1 15 5804 1 1 1 ASP HA H 8.180 11.704 4.209 1.00 . A A . 1 ASP HA 1 1 15 5805 1 1 1 ASP HB2 H 8.887 10.428 6.181 1.00 . A A . 1 ASP HB2 1 1 15 5806 1 1 1 ASP HB3 H 7.331 10.756 6.942 1.00 . A A . 1 ASP HB3 1 1 15 5807 1 1 1 ASP N N 8.207 13.024 5.799 1.00 . A A . 1 ASP N 1 1 15 5808 1 1 1 ASP O O 5.380 12.208 5.751 1.00 . A A . 1 ASP O 1 1 15 5809 1 1 1 ASP OD1 O 7.847 8.860 4.382 1.00 . A A . 1 ASP OD1 1 1 15 5810 1 1 1 ASP OD2 O 6.220 8.859 5.824 1.00 . A A . 1 ASP OD2 1 1 15 5811 1 1 2 VAL C C 4.211 10.847 2.410 1.00 . A A . 2 VAL C 1 1 15 5812 1 1 2 VAL CA C 4.508 12.142 3.146 1.00 . A A . 2 VAL CA 1 1 15 5813 1 1 2 VAL CB C 4.256 13.399 2.236 1.00 . A A . 2 VAL CB 1 1 15 5814 1 1 2 VAL CG1 C 5.094 13.372 0.963 1.00 . A A . 2 VAL CG1 1 1 15 5815 1 1 2 VAL CG2 C 2.773 13.571 1.911 1.00 . A A . 2 VAL CG2 1 1 15 5816 1 1 2 VAL H H 6.568 11.988 2.890 1.00 . A A . 2 VAL H 1 1 15 5817 1 1 2 VAL HA H 3.885 12.189 4.027 1.00 . A A . 2 VAL HA 1 1 15 5818 1 1 2 VAL HB H 4.577 14.262 2.800 1.00 . A A . 2 VAL HB 1 1 15 5819 1 1 2 VAL HG11 H 4.867 14.241 0.363 1.00 . A A . 2 VAL HG11 1 1 15 5820 1 1 2 VAL HG12 H 4.870 12.477 0.405 1.00 . A A . 2 VAL HG12 1 1 15 5821 1 1 2 VAL HG13 H 6.142 13.380 1.225 1.00 . A A . 2 VAL HG13 1 1 15 5822 1 1 2 VAL HG21 H 2.414 12.692 1.397 1.00 . A A . 2 VAL HG21 1 1 15 5823 1 1 2 VAL HG22 H 2.640 14.437 1.280 1.00 . A A . 2 VAL HG22 1 1 15 5824 1 1 2 VAL HG23 H 2.216 13.704 2.828 1.00 . A A . 2 VAL HG23 1 1 15 5825 1 1 2 VAL N N 5.873 12.060 3.581 1.00 . A A . 2 VAL N 1 1 15 5826 1 1 2 VAL O O 5.116 10.269 1.801 1.00 . A A . 2 VAL O 1 1 15 5827 1 1 3 SER C C 2.115 9.359 0.469 1.00 . A A . 3 SER C 1 1 15 5828 1 1 3 SER CA C 2.672 9.114 1.888 1.00 . A A . 3 SER CA 1 1 15 5829 1 1 3 SER CB C 1.641 8.405 2.760 1.00 . A A . 3 SER CB 1 1 15 5830 1 1 3 SER H H 2.320 10.823 3.019 1.00 . A A . 3 SER H 1 1 15 5831 1 1 3 SER HA H 3.559 8.500 1.832 1.00 . A A . 3 SER HA 1 1 15 5832 1 1 3 SER HB2 H 0.714 8.959 2.741 1.00 . A A . 3 SER HB2 1 1 15 5833 1 1 3 SER HB3 H 1.476 7.406 2.386 1.00 . A A . 3 SER HB3 1 1 15 5834 1 1 3 SER HG H 1.340 8.028 4.640 1.00 . A A . 3 SER HG 1 1 15 5835 1 1 3 SER N N 3.021 10.357 2.513 1.00 . A A . 3 SER N 1 1 15 5836 1 1 3 SER O O 1.055 9.972 0.319 1.00 . A A . 3 SER O 1 1 15 5837 1 1 3 SER OG O 2.091 8.321 4.109 1.00 . A A . 3 SER OG 1 1 15 5838 1 1 4 PRO C C 1.131 8.211 -2.208 1.00 . A A . 4 PRO C 1 1 15 5839 1 1 4 PRO CA C 2.383 9.050 -1.987 1.00 . A A . 4 PRO CA 1 1 15 5840 1 1 4 PRO CB C 3.540 8.454 -2.800 1.00 . A A . 4 PRO CB 1 1 15 5841 1 1 4 PRO CD C 4.170 8.292 -0.518 1.00 . A A . 4 PRO CD 1 1 15 5842 1 1 4 PRO CG C 4.713 8.501 -1.893 1.00 . A A . 4 PRO CG 1 1 15 5843 1 1 4 PRO HA H 2.205 10.077 -2.272 1.00 . A A . 4 PRO HA 1 1 15 5844 1 1 4 PRO HB2 H 3.289 7.435 -3.056 1.00 . A A . 4 PRO HB2 1 1 15 5845 1 1 4 PRO HB3 H 3.702 9.021 -3.705 1.00 . A A . 4 PRO HB3 1 1 15 5846 1 1 4 PRO HD2 H 4.089 7.239 -0.295 1.00 . A A . 4 PRO HD2 1 1 15 5847 1 1 4 PRO HD3 H 4.796 8.792 0.206 1.00 . A A . 4 PRO HD3 1 1 15 5848 1 1 4 PRO HG2 H 5.411 7.717 -2.150 1.00 . A A . 4 PRO HG2 1 1 15 5849 1 1 4 PRO HG3 H 5.193 9.465 -1.965 1.00 . A A . 4 PRO HG3 1 1 15 5850 1 1 4 PRO N N 2.844 8.925 -0.591 1.00 . A A . 4 PRO N 1 1 15 5851 1 1 4 PRO O O 0.947 7.201 -1.534 1.00 . A A . 4 PRO O 1 1 15 5852 1 1 5 CYS C C -0.703 6.566 -4.070 1.00 . A A . 5 CYS C 1 1 15 5853 1 1 5 CYS CA C -0.946 7.892 -3.381 1.00 . A A . 5 CYS CA 1 1 15 5854 1 1 5 CYS CB C -1.900 8.722 -4.229 1.00 . A A . 5 CYS CB 1 1 15 5855 1 1 5 CYS H H 0.510 9.392 -3.676 1.00 . A A . 5 CYS H 1 1 15 5856 1 1 5 CYS HA H -1.415 7.705 -2.428 1.00 . A A . 5 CYS HA 1 1 15 5857 1 1 5 CYS HB2 H -2.083 9.680 -3.767 1.00 . A A . 5 CYS HB2 1 1 15 5858 1 1 5 CYS HB3 H -1.431 8.869 -5.192 1.00 . A A . 5 CYS HB3 1 1 15 5859 1 1 5 CYS N N 0.295 8.604 -3.133 1.00 . A A . 5 CYS N 1 1 15 5860 1 1 5 CYS O O -0.375 6.520 -5.270 1.00 . A A . 5 CYS O 1 1 15 5861 1 1 5 CYS SG S -3.512 7.915 -4.531 1.00 . A A . 5 CYS SG 1 1 15 5862 1 1 6 PHE C C -1.766 3.289 -3.419 1.00 . A A . 6 PHE C 1 1 15 5863 1 1 6 PHE CA C -0.671 4.210 -3.926 1.00 . A A . 6 PHE CA 1 1 15 5864 1 1 6 PHE CB C 0.710 3.641 -3.621 1.00 . A A . 6 PHE CB 1 1 15 5865 1 1 6 PHE CD1 C 1.582 2.949 -5.841 1.00 . A A . 6 PHE CD1 1 1 15 5866 1 1 6 PHE CD2 C 1.083 1.243 -4.258 1.00 . A A . 6 PHE CD2 1 1 15 5867 1 1 6 PHE CE1 C 1.974 2.007 -6.754 1.00 . A A . 6 PHE CE1 1 1 15 5868 1 1 6 PHE CE2 C 1.477 0.284 -5.171 1.00 . A A . 6 PHE CE2 1 1 15 5869 1 1 6 PHE CG C 1.131 2.584 -4.587 1.00 . A A . 6 PHE CG 1 1 15 5870 1 1 6 PHE CZ C 1.923 0.666 -6.424 1.00 . A A . 6 PHE CZ 1 1 15 5871 1 1 6 PHE H H -0.991 5.563 -2.371 1.00 . A A . 6 PHE H 1 1 15 5872 1 1 6 PHE HA H -0.773 4.322 -4.995 1.00 . A A . 6 PHE HA 1 1 15 5873 1 1 6 PHE HB2 H 1.436 4.439 -3.656 1.00 . A A . 6 PHE HB2 1 1 15 5874 1 1 6 PHE HB3 H 0.704 3.210 -2.630 1.00 . A A . 6 PHE HB3 1 1 15 5875 1 1 6 PHE HD1 H 1.622 3.997 -6.101 1.00 . A A . 6 PHE HD1 1 1 15 5876 1 1 6 PHE HD2 H 0.734 0.946 -3.280 1.00 . A A . 6 PHE HD2 1 1 15 5877 1 1 6 PHE HE1 H 2.318 2.334 -7.724 1.00 . A A . 6 PHE HE1 1 1 15 5878 1 1 6 PHE HE2 H 1.435 -0.761 -4.906 1.00 . A A . 6 PHE HE2 1 1 15 5879 1 1 6 PHE HZ H 2.232 -0.081 -7.139 1.00 . A A . 6 PHE HZ 1 1 15 5880 1 1 6 PHE N N -0.817 5.495 -3.336 1.00 . A A . 6 PHE N 1 1 15 5881 1 1 6 PHE O O -1.968 3.164 -2.208 1.00 . A A . 6 PHE O 1 1 15 5882 1 1 7 CYS C C -3.129 0.375 -4.435 1.00 . A A . 7 CYS C 1 1 15 5883 1 1 7 CYS CA C -3.520 1.745 -3.970 1.00 . A A . 7 CYS CA 1 1 15 5884 1 1 7 CYS CB C -4.870 2.117 -4.567 1.00 . A A . 7 CYS CB 1 1 15 5885 1 1 7 CYS H H -2.344 2.886 -5.276 1.00 . A A . 7 CYS H 1 1 15 5886 1 1 7 CYS HA H -3.602 1.734 -2.896 1.00 . A A . 7 CYS HA 1 1 15 5887 1 1 7 CYS HB2 H -4.768 2.153 -5.638 1.00 . A A . 7 CYS HB2 1 1 15 5888 1 1 7 CYS HB3 H -5.574 1.335 -4.320 1.00 . A A . 7 CYS HB3 1 1 15 5889 1 1 7 CYS N N -2.493 2.697 -4.325 1.00 . A A . 7 CYS N 1 1 15 5890 1 1 7 CYS O O -2.441 0.226 -5.450 1.00 . A A . 7 CYS O 1 1 15 5891 1 1 7 CYS SG S -5.555 3.696 -3.975 1.00 . A A . 7 CYS SG 1 1 15 5892 1 1 8 VAL C C -4.507 -2.786 -3.767 1.00 . A A . 8 VAL C 1 1 15 5893 1 1 8 VAL CA C -3.245 -1.990 -4.010 1.00 . A A . 8 VAL CA 1 1 15 5894 1 1 8 VAL CB C -2.141 -2.593 -3.081 1.00 . A A . 8 VAL CB 1 1 15 5895 1 1 8 VAL CG1 C -1.669 -3.956 -3.574 1.00 . A A . 8 VAL CG1 1 1 15 5896 1 1 8 VAL CG2 C -0.966 -1.648 -2.861 1.00 . A A . 8 VAL CG2 1 1 15 5897 1 1 8 VAL H H -4.067 -0.418 -2.892 1.00 . A A . 8 VAL H 1 1 15 5898 1 1 8 VAL HA H -2.933 -2.071 -5.040 1.00 . A A . 8 VAL HA 1 1 15 5899 1 1 8 VAL HB H -2.632 -2.769 -2.139 1.00 . A A . 8 VAL HB 1 1 15 5900 1 1 8 VAL HG11 H -0.923 -4.344 -2.897 1.00 . A A . 8 VAL HG11 1 1 15 5901 1 1 8 VAL HG12 H -1.239 -3.853 -4.560 1.00 . A A . 8 VAL HG12 1 1 15 5902 1 1 8 VAL HG13 H -2.508 -4.635 -3.617 1.00 . A A . 8 VAL HG13 1 1 15 5903 1 1 8 VAL HG21 H -1.321 -0.732 -2.413 1.00 . A A . 8 VAL HG21 1 1 15 5904 1 1 8 VAL HG22 H -0.498 -1.428 -3.809 1.00 . A A . 8 VAL HG22 1 1 15 5905 1 1 8 VAL HG23 H -0.247 -2.114 -2.204 1.00 . A A . 8 VAL HG23 1 1 15 5906 1 1 8 VAL N N -3.532 -0.614 -3.695 1.00 . A A . 8 VAL N 1 1 15 5907 1 1 8 VAL O O -5.264 -2.491 -2.840 1.00 . A A . 8 VAL O 1 1 15 5908 1 1 9 GLU C C -5.278 -5.773 -3.543 1.00 . A A . 9 GLU C 1 1 15 5909 1 1 9 GLU CA C -5.838 -4.643 -4.364 1.00 . A A . 9 GLU CA 1 1 15 5910 1 1 9 GLU CB C -6.409 -5.154 -5.682 1.00 . A A . 9 GLU CB 1 1 15 5911 1 1 9 GLU CD C -8.243 -6.475 -6.778 1.00 . A A . 9 GLU CD 1 1 15 5912 1 1 9 GLU CG C -7.641 -6.008 -5.489 1.00 . A A . 9 GLU CG 1 1 15 5913 1 1 9 GLU H H -4.135 -3.883 -5.333 1.00 . A A . 9 GLU H 1 1 15 5914 1 1 9 GLU HA H -6.611 -4.154 -3.787 1.00 . A A . 9 GLU HA 1 1 15 5915 1 1 9 GLU HB2 H -6.667 -4.312 -6.307 1.00 . A A . 9 GLU HB2 1 1 15 5916 1 1 9 GLU HB3 H -5.659 -5.750 -6.179 1.00 . A A . 9 GLU HB3 1 1 15 5917 1 1 9 GLU HG2 H -7.373 -6.871 -4.900 1.00 . A A . 9 GLU HG2 1 1 15 5918 1 1 9 GLU HG3 H -8.374 -5.426 -4.951 1.00 . A A . 9 GLU HG3 1 1 15 5919 1 1 9 GLU N N -4.750 -3.748 -4.582 1.00 . A A . 9 GLU N 1 1 15 5920 1 1 9 GLU O O -4.487 -6.577 -4.033 1.00 . A A . 9 GLU O 1 1 15 5921 1 1 9 GLU OE1 O -7.873 -7.568 -7.261 1.00 . A A . 9 GLU OE1 1 1 15 5922 1 1 9 GLU OE2 O -9.108 -5.766 -7.332 1.00 . A A . 9 GLU OE2 1 1 15 5923 1 1 10 ASP C C -5.850 -8.020 -1.408 1.00 . A A . 10 ASP C 1 1 15 5924 1 1 10 ASP CA C -5.063 -6.754 -1.387 1.00 . A A . 10 ASP CA 1 1 15 5925 1 1 10 ASP CB C -4.943 -6.192 0.029 1.00 . A A . 10 ASP CB 1 1 15 5926 1 1 10 ASP CG C -4.474 -7.224 1.027 1.00 . A A . 10 ASP CG 1 1 15 5927 1 1 10 ASP H H -6.302 -5.180 -1.950 1.00 . A A . 10 ASP H 1 1 15 5928 1 1 10 ASP HA H -4.070 -6.985 -1.742 1.00 . A A . 10 ASP HA 1 1 15 5929 1 1 10 ASP HB2 H -4.236 -5.377 0.029 1.00 . A A . 10 ASP HB2 1 1 15 5930 1 1 10 ASP HB3 H -5.908 -5.823 0.344 1.00 . A A . 10 ASP HB3 1 1 15 5931 1 1 10 ASP N N -5.619 -5.796 -2.290 1.00 . A A . 10 ASP N 1 1 15 5932 1 1 10 ASP O O -7.064 -8.025 -1.188 1.00 . A A . 10 ASP O 1 1 15 5933 1 1 10 ASP OD1 O -5.160 -7.433 2.028 1.00 . A A . 10 ASP OD1 1 1 15 5934 1 1 10 ASP OD2 O -3.438 -7.886 0.798 1.00 . A A . 10 ASP OD2 1 1 15 5935 1 1 11 GLU C C -6.102 -10.930 -0.392 1.00 . A A . 11 GLU C 1 1 15 5936 1 1 11 GLU CA C -5.757 -10.397 -1.780 1.00 . A A . 11 GLU CA 1 1 15 5937 1 1 11 GLU CB C -4.808 -11.359 -2.485 1.00 . A A . 11 GLU CB 1 1 15 5938 1 1 11 GLU CD C -2.615 -12.569 -2.437 1.00 . A A . 11 GLU CD 1 1 15 5939 1 1 11 GLU CG C -3.462 -11.526 -1.789 1.00 . A A . 11 GLU CG 1 1 15 5940 1 1 11 GLU H H -4.217 -8.953 -1.911 1.00 . A A . 11 GLU H 1 1 15 5941 1 1 11 GLU HA H -6.664 -10.324 -2.360 1.00 . A A . 11 GLU HA 1 1 15 5942 1 1 11 GLU HB2 H -5.283 -12.325 -2.550 1.00 . A A . 11 GLU HB2 1 1 15 5943 1 1 11 GLU HB3 H -4.628 -10.995 -3.486 1.00 . A A . 11 GLU HB3 1 1 15 5944 1 1 11 GLU HG2 H -2.933 -10.585 -1.818 1.00 . A A . 11 GLU HG2 1 1 15 5945 1 1 11 GLU HG3 H -3.637 -11.806 -0.760 1.00 . A A . 11 GLU HG3 1 1 15 5946 1 1 11 GLU N N -5.167 -9.079 -1.706 1.00 . A A . 11 GLU N 1 1 15 5947 1 1 11 GLU O O -7.032 -11.718 -0.237 1.00 . A A . 11 GLU O 1 1 15 5948 1 1 11 GLU OE1 O -2.735 -13.755 -2.079 1.00 . A A . 11 GLU OE1 1 1 15 5949 1 1 11 GLU OE2 O -1.811 -12.235 -3.334 1.00 . A A . 11 GLU OE2 1 1 15 5950 1 1 12 THR C C -6.862 -10.445 2.528 1.00 . A A . 12 THR C 1 1 15 5951 1 1 12 THR CA C -5.507 -10.905 1.964 1.00 . A A . 12 THR CA 1 1 15 5952 1 1 12 THR CB C -4.367 -10.299 2.784 1.00 . A A . 12 THR CB 1 1 15 5953 1 1 12 THR CG2 C -4.144 -11.068 4.070 1.00 . A A . 12 THR CG2 1 1 15 5954 1 1 12 THR H H -4.674 -9.792 0.413 1.00 . A A . 12 THR H 1 1 15 5955 1 1 12 THR HA H -5.433 -11.981 2.002 1.00 . A A . 12 THR HA 1 1 15 5956 1 1 12 THR HB H -4.614 -9.272 3.008 1.00 . A A . 12 THR HB 1 1 15 5957 1 1 12 THR HG1 H -3.049 -9.448 1.636 1.00 . A A . 12 THR HG1 1 1 15 5958 1 1 12 THR HG21 H -3.345 -10.610 4.634 1.00 . A A . 12 THR HG21 1 1 15 5959 1 1 12 THR HG22 H -3.880 -12.088 3.835 1.00 . A A . 12 THR HG22 1 1 15 5960 1 1 12 THR HG23 H -5.053 -11.054 4.654 1.00 . A A . 12 THR HG23 1 1 15 5961 1 1 12 THR N N -5.366 -10.463 0.598 1.00 . A A . 12 THR N 1 1 15 5962 1 1 12 THR O O -7.599 -11.223 3.135 1.00 . A A . 12 THR O 1 1 15 5963 1 1 12 THR OG1 O -3.162 -10.344 1.991 1.00 . A A . 12 THR OG1 1 1 15 5964 1 1 13 SER C C -9.498 -8.958 1.716 1.00 . A A . 13 SER C 1 1 15 5965 1 1 13 SER CA C -8.428 -8.612 2.728 1.00 . A A . 13 SER CA 1 1 15 5966 1 1 13 SER CB C -8.290 -7.107 2.828 1.00 . A A . 13 SER CB 1 1 15 5967 1 1 13 SER H H -6.486 -8.586 1.930 1.00 . A A . 13 SER H 1 1 15 5968 1 1 13 SER HA H -8.713 -8.998 3.691 1.00 . A A . 13 SER HA 1 1 15 5969 1 1 13 SER HB2 H -8.184 -6.715 1.830 1.00 . A A . 13 SER HB2 1 1 15 5970 1 1 13 SER HB3 H -9.169 -6.688 3.295 1.00 . A A . 13 SER HB3 1 1 15 5971 1 1 13 SER HG H -6.368 -6.910 3.028 1.00 . A A . 13 SER HG 1 1 15 5972 1 1 13 SER N N -7.168 -9.179 2.322 1.00 . A A . 13 SER N 1 1 15 5973 1 1 13 SER O O -10.655 -9.210 2.067 1.00 . A A . 13 SER O 1 1 15 5974 1 1 13 SER OG O -7.146 -6.767 3.593 1.00 . A A . 13 SER OG 1 1 15 5975 1 1 14 GLY C C -10.653 -7.972 -1.058 1.00 . A A . 14 GLY C 1 1 15 5976 1 1 14 GLY CA C -10.026 -9.253 -0.587 1.00 . A A . 14 GLY CA 1 1 15 5977 1 1 14 GLY H H -8.154 -8.858 0.244 1.00 . A A . 14 GLY H 1 1 15 5978 1 1 14 GLY HA2 H -9.515 -9.737 -1.406 1.00 . A A . 14 GLY HA2 1 1 15 5979 1 1 14 GLY HA3 H -10.803 -9.903 -0.214 1.00 . A A . 14 GLY HA3 1 1 15 5980 1 1 14 GLY N N -9.099 -9.000 0.467 1.00 . A A . 14 GLY N 1 1 15 5981 1 1 14 GLY O O -11.794 -7.962 -1.521 1.00 . A A . 14 GLY O 1 1 15 5982 1 1 15 ALA C C -9.207 -4.627 -1.555 1.00 . A A . 15 ALA C 1 1 15 5983 1 1 15 ALA CA C -10.383 -5.565 -1.311 1.00 . A A . 15 ALA CA 1 1 15 5984 1 1 15 ALA CB C -11.281 -4.998 -0.224 1.00 . A A . 15 ALA CB 1 1 15 5985 1 1 15 ALA H H -9.004 -6.961 -0.550 1.00 . A A . 15 ALA H 1 1 15 5986 1 1 15 ALA HA H -10.961 -5.660 -2.218 1.00 . A A . 15 ALA HA 1 1 15 5987 1 1 15 ALA HB1 H -12.134 -5.645 -0.086 1.00 . A A . 15 ALA HB1 1 1 15 5988 1 1 15 ALA HB2 H -11.611 -4.006 -0.495 1.00 . A A . 15 ALA HB2 1 1 15 5989 1 1 15 ALA HB3 H -10.719 -4.953 0.696 1.00 . A A . 15 ALA HB3 1 1 15 5990 1 1 15 ALA N N -9.909 -6.882 -0.920 1.00 . A A . 15 ALA N 1 1 15 5991 1 1 15 ALA O O -8.077 -4.909 -1.128 1.00 . A A . 15 ALA O 1 1 15 5992 1 1 16 LYS C C -8.241 -1.697 -1.271 1.00 . A A . 16 LYS C 1 1 15 5993 1 1 16 LYS CA C -8.491 -2.514 -2.523 1.00 . A A . 16 LYS CA 1 1 15 5994 1 1 16 LYS CB C -8.964 -1.585 -3.652 1.00 . A A . 16 LYS CB 1 1 15 5995 1 1 16 LYS CD C -8.551 0.569 -4.945 1.00 . A A . 16 LYS CD 1 1 15 5996 1 1 16 LYS CE C -8.956 -0.028 -6.280 1.00 . A A . 16 LYS CE 1 1 15 5997 1 1 16 LYS CG C -7.968 -0.470 -3.992 1.00 . A A . 16 LYS CG 1 1 15 5998 1 1 16 LYS H H -10.359 -3.426 -2.640 1.00 . A A . 16 LYS H 1 1 15 5999 1 1 16 LYS HA H -7.556 -2.962 -2.810 1.00 . A A . 16 LYS HA 1 1 15 6000 1 1 16 LYS HB2 H -9.125 -2.179 -4.540 1.00 . A A . 16 LYS HB2 1 1 15 6001 1 1 16 LYS HB3 H -9.898 -1.130 -3.362 1.00 . A A . 16 LYS HB3 1 1 15 6002 1 1 16 LYS HD2 H -9.425 1.009 -4.488 1.00 . A A . 16 LYS HD2 1 1 15 6003 1 1 16 LYS HD3 H -7.812 1.339 -5.112 1.00 . A A . 16 LYS HD3 1 1 15 6004 1 1 16 LYS HE2 H -8.094 -0.503 -6.723 1.00 . A A . 16 LYS HE2 1 1 15 6005 1 1 16 LYS HE3 H -9.727 -0.765 -6.110 1.00 . A A . 16 LYS HE3 1 1 15 6006 1 1 16 LYS HG2 H -7.679 0.025 -3.076 1.00 . A A . 16 LYS HG2 1 1 15 6007 1 1 16 LYS HG3 H -7.094 -0.915 -4.445 1.00 . A A . 16 LYS HG3 1 1 15 6008 1 1 16 LYS HZ1 H -10.279 1.507 -6.791 1.00 . A A . 16 LYS HZ1 1 1 15 6009 1 1 16 LYS HZ2 H -9.777 0.603 -8.108 1.00 . A A . 16 LYS HZ2 1 1 15 6010 1 1 16 LYS HZ3 H -8.735 1.714 -7.401 1.00 . A A . 16 LYS HZ3 1 1 15 6011 1 1 16 LYS N N -9.465 -3.546 -2.262 1.00 . A A . 16 LYS N 1 1 15 6012 1 1 16 LYS NZ N -9.466 1.003 -7.200 1.00 . A A . 16 LYS NZ 1 1 15 6013 1 1 16 LYS O O -9.171 -1.217 -0.629 1.00 . A A . 16 LYS O 1 1 15 6014 1 1 17 THR C C -5.575 0.237 -0.355 1.00 . A A . 17 THR C 1 1 15 6015 1 1 17 THR CA C -6.585 -0.772 0.162 1.00 . A A . 17 THR CA 1 1 15 6016 1 1 17 THR CB C -5.978 -1.679 1.285 1.00 . A A . 17 THR CB 1 1 15 6017 1 1 17 THR CG2 C -4.891 -2.599 0.743 1.00 . A A . 17 THR CG2 1 1 15 6018 1 1 17 THR H H -6.307 -1.960 -1.501 1.00 . A A . 17 THR H 1 1 15 6019 1 1 17 THR HA H -7.448 -0.249 0.546 1.00 . A A . 17 THR HA 1 1 15 6020 1 1 17 THR HB H -6.785 -2.284 1.667 1.00 . A A . 17 THR HB 1 1 15 6021 1 1 17 THR HG1 H -4.490 -0.982 2.337 1.00 . A A . 17 THR HG1 1 1 15 6022 1 1 17 THR HG21 H -4.498 -3.206 1.546 1.00 . A A . 17 THR HG21 1 1 15 6023 1 1 17 THR HG22 H -4.097 -2.004 0.317 1.00 . A A . 17 THR HG22 1 1 15 6024 1 1 17 THR HG23 H -5.309 -3.238 -0.021 1.00 . A A . 17 THR HG23 1 1 15 6025 1 1 17 THR N N -7.009 -1.548 -0.947 1.00 . A A . 17 THR N 1 1 15 6026 1 1 17 THR O O -4.793 -0.070 -1.272 1.00 . A A . 17 THR O 1 1 15 6027 1 1 17 THR OG1 O -5.455 -0.897 2.376 1.00 . A A . 17 THR OG1 1 1 15 6028 1 1 18 CYS C C -3.851 2.910 0.815 1.00 . A A . 18 CYS C 1 1 15 6029 1 1 18 CYS CA C -4.690 2.417 -0.309 1.00 . A A . 18 CYS CA 1 1 15 6030 1 1 18 CYS CB C -5.390 3.591 -0.957 1.00 . A A . 18 CYS CB 1 1 15 6031 1 1 18 CYS H H -6.267 1.628 0.852 1.00 . A A . 18 CYS H 1 1 15 6032 1 1 18 CYS HA H -4.045 1.956 -1.039 1.00 . A A . 18 CYS HA 1 1 15 6033 1 1 18 CYS HB2 H -5.881 4.160 -0.188 1.00 . A A . 18 CYS HB2 1 1 15 6034 1 1 18 CYS HB3 H -4.624 4.227 -1.381 1.00 . A A . 18 CYS HB3 1 1 15 6035 1 1 18 CYS N N -5.613 1.421 0.148 1.00 . A A . 18 CYS N 1 1 15 6036 1 1 18 CYS O O -4.245 2.861 1.978 1.00 . A A . 18 CYS O 1 1 15 6037 1 1 18 CYS SG S -6.552 3.161 -2.295 1.00 . A A . 18 CYS SG 1 1 15 6038 1 1 19 VAL C C -1.358 5.299 0.845 1.00 . A A . 19 VAL C 1 1 15 6039 1 1 19 VAL CA C -1.771 3.946 1.392 1.00 . A A . 19 VAL CA 1 1 15 6040 1 1 19 VAL CB C -0.490 3.064 1.533 1.00 . A A . 19 VAL CB 1 1 15 6041 1 1 19 VAL CG1 C 0.457 3.640 2.579 1.00 . A A . 19 VAL CG1 1 1 15 6042 1 1 19 VAL CG2 C -0.838 1.625 1.870 1.00 . A A . 19 VAL CG2 1 1 15 6043 1 1 19 VAL H H -2.504 3.401 -0.495 1.00 . A A . 19 VAL H 1 1 15 6044 1 1 19 VAL HA H -2.253 4.046 2.352 1.00 . A A . 19 VAL HA 1 1 15 6045 1 1 19 VAL HB H 0.024 3.081 0.583 1.00 . A A . 19 VAL HB 1 1 15 6046 1 1 19 VAL HG11 H 0.748 4.639 2.289 1.00 . A A . 19 VAL HG11 1 1 15 6047 1 1 19 VAL HG12 H 1.334 3.016 2.655 1.00 . A A . 19 VAL HG12 1 1 15 6048 1 1 19 VAL HG13 H -0.044 3.675 3.535 1.00 . A A . 19 VAL HG13 1 1 15 6049 1 1 19 VAL HG21 H 0.068 1.047 1.970 1.00 . A A . 19 VAL HG21 1 1 15 6050 1 1 19 VAL HG22 H -1.447 1.208 1.082 1.00 . A A . 19 VAL HG22 1 1 15 6051 1 1 19 VAL HG23 H -1.387 1.598 2.800 1.00 . A A . 19 VAL HG23 1 1 15 6052 1 1 19 VAL N N -2.713 3.391 0.466 1.00 . A A . 19 VAL N 1 1 15 6053 1 1 19 VAL O O -0.654 5.352 -0.161 1.00 . A A . 19 VAL O 1 1 15 6054 1 1 20 PRO C C -4.239 6.102 2.053 1.00 . A A . 20 PRO C 1 1 15 6055 1 1 20 PRO CA C -2.818 6.403 2.531 1.00 . A A . 20 PRO CA 1 1 15 6056 1 1 20 PRO CB C -2.761 7.834 3.048 1.00 . A A . 20 PRO CB 1 1 15 6057 1 1 20 PRO CD C -1.460 7.778 1.046 1.00 . A A . 20 PRO CD 1 1 15 6058 1 1 20 PRO CG C -2.364 8.647 1.873 1.00 . A A . 20 PRO CG 1 1 15 6059 1 1 20 PRO HA H -2.538 5.720 3.318 1.00 . A A . 20 PRO HA 1 1 15 6060 1 1 20 PRO HB2 H -3.746 8.112 3.394 1.00 . A A . 20 PRO HB2 1 1 15 6061 1 1 20 PRO HB3 H -2.045 7.907 3.852 1.00 . A A . 20 PRO HB3 1 1 15 6062 1 1 20 PRO HD2 H -1.609 7.949 -0.010 1.00 . A A . 20 PRO HD2 1 1 15 6063 1 1 20 PRO HD3 H -0.427 7.961 1.299 1.00 . A A . 20 PRO HD3 1 1 15 6064 1 1 20 PRO HG2 H -3.243 8.924 1.310 1.00 . A A . 20 PRO HG2 1 1 15 6065 1 1 20 PRO HG3 H -1.840 9.532 2.200 1.00 . A A . 20 PRO HG3 1 1 15 6066 1 1 20 PRO N N -1.847 6.410 1.420 1.00 . A A . 20 PRO N 1 1 15 6067 1 1 20 PRO O O -4.523 6.128 0.829 1.00 . A A . 20 PRO O 1 1 15 6068 1 1 21 ASP C C -7.157 6.710 2.026 1.00 . A A . 21 ASP C 1 1 15 6069 1 1 21 ASP CA C -6.514 5.526 2.698 1.00 . A A . 21 ASP CA 1 1 15 6070 1 1 21 ASP CB C -7.303 5.155 3.956 1.00 . A A . 21 ASP CB 1 1 15 6071 1 1 21 ASP CG C -8.769 4.875 3.663 1.00 . A A . 21 ASP CG 1 1 15 6072 1 1 21 ASP H H -4.830 5.849 3.937 1.00 . A A . 21 ASP H 1 1 15 6073 1 1 21 ASP HA H -6.527 4.692 2.013 1.00 . A A . 21 ASP HA 1 1 15 6074 1 1 21 ASP HB2 H -6.868 4.279 4.414 1.00 . A A . 21 ASP HB2 1 1 15 6075 1 1 21 ASP HB3 H -7.249 5.986 4.642 1.00 . A A . 21 ASP HB3 1 1 15 6076 1 1 21 ASP N N -5.123 5.826 3.000 1.00 . A A . 21 ASP N 1 1 15 6077 1 1 21 ASP O O -7.138 7.830 2.565 1.00 . A A . 21 ASP O 1 1 15 6078 1 1 21 ASP OD1 O -9.618 5.756 3.890 1.00 . A A . 21 ASP OD1 1 1 15 6079 1 1 21 ASP OD2 O -9.096 3.766 3.185 1.00 . A A . 21 ASP OD2 1 1 15 6080 1 1 22 ASN C C -7.356 8.544 -0.356 1.00 . A A . 22 ASN C 1 1 15 6081 1 1 22 ASN CA C -8.312 7.449 0.012 1.00 . A A . 22 ASN CA 1 1 15 6082 1 1 22 ASN CB C -9.602 7.996 0.603 1.00 . A A . 22 ASN CB 1 1 15 6083 1 1 22 ASN CG C -10.745 7.020 0.513 1.00 . A A . 22 ASN CG 1 1 15 6084 1 1 22 ASN H H -7.724 5.535 0.530 1.00 . A A . 22 ASN H 1 1 15 6085 1 1 22 ASN HA H -8.560 6.936 -0.906 1.00 . A A . 22 ASN HA 1 1 15 6086 1 1 22 ASN HB2 H -9.446 8.260 1.638 1.00 . A A . 22 ASN HB2 1 1 15 6087 1 1 22 ASN HB3 H -9.855 8.872 0.036 1.00 . A A . 22 ASN HB3 1 1 15 6088 1 1 22 ASN HD21 H -10.235 6.216 2.242 1.00 . A A . 22 ASN HD21 1 1 15 6089 1 1 22 ASN HD22 H -11.603 5.532 1.474 1.00 . A A . 22 ASN HD22 1 1 15 6090 1 1 22 ASN N N -7.699 6.458 0.851 1.00 . A A . 22 ASN N 1 1 15 6091 1 1 22 ASN ND2 N -10.873 6.184 1.490 1.00 . A A . 22 ASN ND2 1 1 15 6092 1 1 22 ASN O O -7.665 9.723 -0.246 1.00 . A A . 22 ASN O 1 1 15 6093 1 1 22 ASN OD1 O -11.517 7.019 -0.452 1.00 . A A . 22 ASN OD1 1 1 15 6094 1 1 23 CYS C C -5.751 9.839 -2.484 1.00 . A A . 23 CYS C 1 1 15 6095 1 1 23 CYS CA C -5.199 9.100 -1.268 1.00 . A A . 23 CYS CA 1 1 15 6096 1 1 23 CYS CB C -3.879 8.416 -1.565 1.00 . A A . 23 CYS CB 1 1 15 6097 1 1 23 CYS H H -5.915 7.208 -0.701 1.00 . A A . 23 CYS H 1 1 15 6098 1 1 23 CYS HA H -5.059 9.832 -0.494 1.00 . A A . 23 CYS HA 1 1 15 6099 1 1 23 CYS HB2 H -3.178 9.138 -1.955 1.00 . A A . 23 CYS HB2 1 1 15 6100 1 1 23 CYS HB3 H -3.498 8.010 -0.640 1.00 . A A . 23 CYS HB3 1 1 15 6101 1 1 23 CYS N N -6.168 8.155 -0.772 1.00 . A A . 23 CYS N 1 1 15 6102 1 1 23 CYS O O -5.474 11.022 -2.694 1.00 . A A . 23 CYS O 1 1 15 6103 1 1 23 CYS SG S -3.987 7.040 -2.760 1.00 . A A . 23 CYS SG 1 1 15 6104 1 1 24 ASP C C -8.638 10.152 -3.924 1.00 . A A . 24 ASP C 1 1 15 6105 1 1 24 ASP CA C -7.257 9.779 -4.344 1.00 . A A . 24 ASP CA 1 1 15 6106 1 1 24 ASP CB C -7.271 8.970 -5.661 1.00 . A A . 24 ASP CB 1 1 15 6107 1 1 24 ASP CG C -6.021 9.160 -6.489 1.00 . A A . 24 ASP CG 1 1 15 6108 1 1 24 ASP H H -6.708 8.220 -3.009 1.00 . A A . 24 ASP H 1 1 15 6109 1 1 24 ASP HA H -6.724 10.704 -4.506 1.00 . A A . 24 ASP HA 1 1 15 6110 1 1 24 ASP HB2 H -7.363 7.920 -5.428 1.00 . A A . 24 ASP HB2 1 1 15 6111 1 1 24 ASP HB3 H -8.123 9.276 -6.249 1.00 . A A . 24 ASP HB3 1 1 15 6112 1 1 24 ASP N N -6.564 9.159 -3.246 1.00 . A A . 24 ASP N 1 1 15 6113 1 1 24 ASP O O -9.614 9.433 -4.169 1.00 . A A . 24 ASP O 1 1 15 6114 1 1 24 ASP OD1 O -5.541 10.310 -6.604 1.00 . A A . 24 ASP OD1 1 1 15 6115 1 1 24 ASP OD2 O -5.525 8.181 -7.102 1.00 . A A . 24 ASP OD2 1 1 15 6116 1 1 25 ALA C C -10.038 13.249 -3.044 1.00 . A A . 25 ALA C 1 1 15 6117 1 1 25 ALA CA C -9.954 11.777 -2.730 1.00 . A A . 25 ALA CA 1 1 15 6118 1 1 25 ALA CB C -10.089 11.562 -1.236 1.00 . A A . 25 ALA CB 1 1 15 6119 1 1 25 ALA H H -7.849 11.648 -2.964 1.00 . A A . 25 ALA H 1 1 15 6120 1 1 25 ALA HA H -10.763 11.258 -3.224 1.00 . A A . 25 ALA HA 1 1 15 6121 1 1 25 ALA HB1 H -11.048 11.931 -0.902 1.00 . A A . 25 ALA HB1 1 1 15 6122 1 1 25 ALA HB2 H -9.301 12.093 -0.724 1.00 . A A . 25 ALA HB2 1 1 15 6123 1 1 25 ALA HB3 H -10.014 10.507 -1.025 1.00 . A A . 25 ALA HB3 1 1 15 6124 1 1 25 ALA N N -8.702 11.231 -3.209 1.00 . A A . 25 ALA N 1 1 15 6125 1 1 25 ALA O O -10.928 13.953 -2.552 1.00 . A A . 25 ALA O 1 1 15 6126 1 1 26 SER C C -9.561 15.306 -5.662 1.00 . A A . 26 SER C 1 1 15 6127 1 1 26 SER CA C -9.107 15.115 -4.217 1.00 . A A . 26 SER CA 1 1 15 6128 1 1 26 SER CB C -7.722 15.706 -3.950 1.00 . A A . 26 SER CB 1 1 15 6129 1 1 26 SER H H -8.437 13.129 -4.235 1.00 . A A . 26 SER H 1 1 15 6130 1 1 26 SER HA H -9.829 15.597 -3.583 1.00 . A A . 26 SER HA 1 1 15 6131 1 1 26 SER HB2 H -7.001 15.241 -4.605 1.00 . A A . 26 SER HB2 1 1 15 6132 1 1 26 SER HB3 H -7.741 16.771 -4.126 1.00 . A A . 26 SER HB3 1 1 15 6133 1 1 26 SER HG H -6.453 15.086 -2.579 1.00 . A A . 26 SER HG 1 1 15 6134 1 1 26 SER N N -9.124 13.720 -3.859 1.00 . A A . 26 SER N 1 1 15 6135 1 1 26 SER O O -9.736 16.424 -6.141 1.00 . A A . 26 SER O 1 1 15 6136 1 1 26 SER OG O -7.339 15.469 -2.590 1.00 . A A . 26 SER OG 1 1 15 6137 1 1 27 ARG C C -10.969 12.801 -7.904 1.00 . A A . 27 ARG C 1 1 15 6138 1 1 27 ARG CA C -10.236 14.115 -7.707 1.00 . A A . 27 ARG CA 1 1 15 6139 1 1 27 ARG CB C -9.072 14.147 -8.719 1.00 . A A . 27 ARG CB 1 1 15 6140 1 1 27 ARG CD C -7.155 15.292 -9.813 1.00 . A A . 27 ARG CD 1 1 15 6141 1 1 27 ARG CG C -8.262 15.425 -8.784 1.00 . A A . 27 ARG CG 1 1 15 6142 1 1 27 ARG CZ C -5.089 16.480 -10.493 1.00 . A A . 27 ARG CZ 1 1 15 6143 1 1 27 ARG H H -9.638 13.368 -5.809 1.00 . A A . 27 ARG H 1 1 15 6144 1 1 27 ARG HA H -10.907 14.940 -7.897 1.00 . A A . 27 ARG HA 1 1 15 6145 1 1 27 ARG HB2 H -8.389 13.349 -8.472 1.00 . A A . 27 ARG HB2 1 1 15 6146 1 1 27 ARG HB3 H -9.477 13.951 -9.701 1.00 . A A . 27 ARG HB3 1 1 15 6147 1 1 27 ARG HD2 H -6.564 14.423 -9.566 1.00 . A A . 27 ARG HD2 1 1 15 6148 1 1 27 ARG HD3 H -7.595 15.151 -10.790 1.00 . A A . 27 ARG HD3 1 1 15 6149 1 1 27 ARG HE H -6.568 17.242 -9.339 1.00 . A A . 27 ARG HE 1 1 15 6150 1 1 27 ARG HG2 H -8.912 16.244 -9.058 1.00 . A A . 27 ARG HG2 1 1 15 6151 1 1 27 ARG HG3 H -7.828 15.612 -7.814 1.00 . A A . 27 ARG HG3 1 1 15 6152 1 1 27 ARG HH11 H -5.334 14.661 -11.392 1.00 . A A . 27 ARG HH11 1 1 15 6153 1 1 27 ARG HH12 H -3.849 15.397 -11.727 1.00 . A A . 27 ARG HH12 1 1 15 6154 1 1 27 ARG HH21 H -4.548 18.346 -9.852 1.00 . A A . 27 ARG HH21 1 1 15 6155 1 1 27 ARG HH22 H -3.389 17.582 -10.822 1.00 . A A . 27 ARG HH22 1 1 15 6156 1 1 27 ARG N N -9.775 14.192 -6.318 1.00 . A A . 27 ARG N 1 1 15 6157 1 1 27 ARG NE N -6.264 16.459 -9.857 1.00 . A A . 27 ARG NE 1 1 15 6158 1 1 27 ARG NH1 N -4.733 15.457 -11.260 1.00 . A A . 27 ARG NH1 1 1 15 6159 1 1 27 ARG NH2 N -4.293 17.539 -10.391 1.00 . A A . 27 ARG NH2 1 1 15 6160 1 1 27 ARG O O -10.421 11.724 -7.591 1.00 . A A . 27 ARG O 1 1 15 6161 1 1 28 GLY C C -14.029 11.413 -7.698 1.00 . A A . 28 GLY C 1 1 15 6162 1 1 28 GLY CA C -12.928 11.675 -8.696 1.00 . A A . 28 GLY CA 1 1 15 6163 1 1 28 GLY H H -12.590 13.745 -8.551 1.00 . A A . 28 GLY H 1 1 15 6164 1 1 28 GLY HA2 H -13.366 11.778 -9.679 1.00 . A A . 28 GLY HA2 1 1 15 6165 1 1 28 GLY HA3 H -12.253 10.832 -8.703 1.00 . A A . 28 GLY HA3 1 1 15 6166 1 1 28 GLY N N -12.176 12.868 -8.396 1.00 . A A . 28 GLY N 1 1 15 6167 1 1 28 GLY O O -14.340 12.266 -6.857 1.00 . A A . 28 GLY O 1 1 15 6168 1 1 29 THR C C -15.154 8.787 -5.929 1.00 . A A . 29 THR C 1 1 15 6169 1 1 29 THR CA C -15.663 9.854 -6.906 1.00 . A A . 29 THR CA 1 1 15 6170 1 1 29 THR CB C -16.834 9.296 -7.747 1.00 . A A . 29 THR CB 1 1 15 6171 1 1 29 THR CG2 C -18.036 8.958 -6.876 1.00 . A A . 29 THR CG2 1 1 15 6172 1 1 29 THR H H -14.290 9.605 -8.444 1.00 . A A . 29 THR H 1 1 15 6173 1 1 29 THR HA H -16.006 10.722 -6.361 1.00 . A A . 29 THR HA 1 1 15 6174 1 1 29 THR HB H -16.494 8.404 -8.254 1.00 . A A . 29 THR HB 1 1 15 6175 1 1 29 THR HG1 H -17.742 10.955 -8.291 1.00 . A A . 29 THR HG1 1 1 15 6176 1 1 29 THR HG21 H -17.748 8.208 -6.156 1.00 . A A . 29 THR HG21 1 1 15 6177 1 1 29 THR HG22 H -18.837 8.579 -7.494 1.00 . A A . 29 THR HG22 1 1 15 6178 1 1 29 THR HG23 H -18.371 9.843 -6.356 1.00 . A A . 29 THR HG23 1 1 15 6179 1 1 29 THR N N -14.596 10.251 -7.773 1.00 . A A . 29 THR N 1 1 15 6180 1 1 29 THR O O -14.812 7.669 -6.333 1.00 . A A . 29 THR O 1 1 15 6181 1 1 29 THR OG1 O -17.218 10.277 -8.737 1.00 . A A . 29 THR OG1 1 1 15 6182 1 1 30 ASN C C -15.625 8.251 -2.511 1.00 . A A . 30 ASN C 1 1 15 6183 1 1 30 ASN CA C -14.618 8.232 -3.646 1.00 . A A . 30 ASN CA 1 1 15 6184 1 1 30 ASN CB C -13.214 8.633 -3.109 1.00 . A A . 30 ASN CB 1 1 15 6185 1 1 30 ASN CG C -13.205 9.950 -2.331 1.00 . A A . 30 ASN CG 1 1 15 6186 1 1 30 ASN H H -15.336 10.050 -4.402 1.00 . A A . 30 ASN H 1 1 15 6187 1 1 30 ASN HA H -14.565 7.249 -4.088 1.00 . A A . 30 ASN HA 1 1 15 6188 1 1 30 ASN HB2 H -12.856 7.855 -2.451 1.00 . A A . 30 ASN HB2 1 1 15 6189 1 1 30 ASN HB3 H -12.536 8.724 -3.945 1.00 . A A . 30 ASN HB3 1 1 15 6190 1 1 30 ASN HD21 H -13.361 8.997 -0.595 1.00 . A A . 30 ASN HD21 1 1 15 6191 1 1 30 ASN HD22 H -13.304 10.716 -0.504 1.00 . A A . 30 ASN HD22 1 1 15 6192 1 1 30 ASN N N -15.069 9.144 -4.676 1.00 . A A . 30 ASN N 1 1 15 6193 1 1 30 ASN ND2 N -13.296 9.881 -1.018 1.00 . A A . 30 ASN ND2 1 1 15 6194 1 1 30 ASN O O -16.260 9.285 -2.276 1.00 . A A . 30 ASN O 1 1 15 6195 1 1 30 ASN OD1 O -13.070 11.018 -2.911 1.00 . A A . 30 ASN OD1 1 1 15 6196 1 1 31 PRO C C -16.023 7.610 0.563 1.00 . A A . 31 PRO C 1 1 15 6197 1 1 31 PRO CA C -16.731 7.053 -0.678 1.00 . A A . 31 PRO CA 1 1 15 6198 1 1 31 PRO CB C -17.027 5.555 -0.491 1.00 . A A . 31 PRO CB 1 1 15 6199 1 1 31 PRO CD C -15.380 5.782 -2.238 1.00 . A A . 31 PRO CD 1 1 15 6200 1 1 31 PRO CG C -16.416 4.860 -1.667 1.00 . A A . 31 PRO CG 1 1 15 6201 1 1 31 PRO HA H -17.649 7.599 -0.838 1.00 . A A . 31 PRO HA 1 1 15 6202 1 1 31 PRO HB2 H -16.586 5.221 0.436 1.00 . A A . 31 PRO HB2 1 1 15 6203 1 1 31 PRO HB3 H -18.096 5.401 -0.454 1.00 . A A . 31 PRO HB3 1 1 15 6204 1 1 31 PRO HD2 H -14.403 5.581 -1.827 1.00 . A A . 31 PRO HD2 1 1 15 6205 1 1 31 PRO HD3 H -15.367 5.670 -3.311 1.00 . A A . 31 PRO HD3 1 1 15 6206 1 1 31 PRO HG2 H -15.956 3.937 -1.348 1.00 . A A . 31 PRO HG2 1 1 15 6207 1 1 31 PRO HG3 H -17.180 4.657 -2.401 1.00 . A A . 31 PRO HG3 1 1 15 6208 1 1 31 PRO N N -15.866 7.114 -1.856 1.00 . A A . 31 PRO N 1 1 15 6209 1 1 31 PRO O O -16.291 8.772 0.942 1.00 . A A . 31 PRO O 1 1 15 6210 1 1 31 PRO OXT O -15.158 6.900 1.146 1.00 . A A . 31 PRO OXT 1 1 16 6211 1 1 1 ASP C C -1.081 16.321 2.178 1.00 . A A . 1 ASP C 1 1 16 6212 1 1 1 ASP CA C -0.516 17.229 3.209 1.00 . A A . 1 ASP CA 1 1 16 6213 1 1 1 ASP CB C 0.883 16.741 3.582 1.00 . A A . 1 ASP CB 1 1 16 6214 1 1 1 ASP CG C 1.614 17.695 4.464 1.00 . A A . 1 ASP CG 1 1 16 6215 1 1 1 ASP H1 H -1.052 17.841 5.152 1.00 . A A . 1 ASP H1 1 1 16 6216 1 1 1 ASP H2 H -1.611 16.291 4.689 1.00 . A A . 1 ASP H2 1 1 16 6217 1 1 1 ASP H3 H -2.318 17.648 4.063 1.00 . A A . 1 ASP H3 1 1 16 6218 1 1 1 ASP HA H -0.448 18.228 2.808 1.00 . A A . 1 ASP HA 1 1 16 6219 1 1 1 ASP HB2 H 0.801 15.798 4.102 1.00 . A A . 1 ASP HB2 1 1 16 6220 1 1 1 ASP HB3 H 1.457 16.597 2.679 1.00 . A A . 1 ASP HB3 1 1 16 6221 1 1 1 ASP N N -1.403 17.258 4.369 1.00 . A A . 1 ASP N 1 1 16 6222 1 1 1 ASP O O -1.745 15.347 2.512 1.00 . A A . 1 ASP O 1 1 16 6223 1 1 1 ASP OD1 O 1.472 17.608 5.709 1.00 . A A . 1 ASP OD1 1 1 16 6224 1 1 1 ASP OD2 O 2.345 18.552 3.942 1.00 . A A . 1 ASP OD2 1 1 16 6225 1 1 2 VAL C C -0.243 14.673 -0.339 1.00 . A A . 2 VAL C 1 1 16 6226 1 1 2 VAL CA C -1.287 15.760 -0.131 1.00 . A A . 2 VAL CA 1 1 16 6227 1 1 2 VAL CB C -1.519 16.524 -1.457 1.00 . A A . 2 VAL CB 1 1 16 6228 1 1 2 VAL CG1 C -2.179 15.620 -2.480 1.00 . A A . 2 VAL CG1 1 1 16 6229 1 1 2 VAL CG2 C -2.358 17.767 -1.230 1.00 . A A . 2 VAL CG2 1 1 16 6230 1 1 2 VAL H H -0.316 17.423 0.714 1.00 . A A . 2 VAL H 1 1 16 6231 1 1 2 VAL HA H -2.209 15.302 0.192 1.00 . A A . 2 VAL HA 1 1 16 6232 1 1 2 VAL HB H -0.557 16.824 -1.847 1.00 . A A . 2 VAL HB 1 1 16 6233 1 1 2 VAL HG11 H -1.548 14.761 -2.654 1.00 . A A . 2 VAL HG11 1 1 16 6234 1 1 2 VAL HG12 H -2.316 16.162 -3.404 1.00 . A A . 2 VAL HG12 1 1 16 6235 1 1 2 VAL HG13 H -3.139 15.292 -2.108 1.00 . A A . 2 VAL HG13 1 1 16 6236 1 1 2 VAL HG21 H -3.324 17.474 -0.847 1.00 . A A . 2 VAL HG21 1 1 16 6237 1 1 2 VAL HG22 H -2.482 18.300 -2.159 1.00 . A A . 2 VAL HG22 1 1 16 6238 1 1 2 VAL HG23 H -1.866 18.405 -0.511 1.00 . A A . 2 VAL HG23 1 1 16 6239 1 1 2 VAL N N -0.831 16.614 0.931 1.00 . A A . 2 VAL N 1 1 16 6240 1 1 2 VAL O O 0.752 14.864 -1.054 1.00 . A A . 2 VAL O 1 1 16 6241 1 1 3 SER C C 0.298 11.720 -1.022 1.00 . A A . 3 SER C 1 1 16 6242 1 1 3 SER CA C 0.504 12.507 0.287 1.00 . A A . 3 SER CA 1 1 16 6243 1 1 3 SER CB C 0.290 11.615 1.525 1.00 . A A . 3 SER CB 1 1 16 6244 1 1 3 SER H H -1.231 13.504 0.890 1.00 . A A . 3 SER H 1 1 16 6245 1 1 3 SER HA H 1.500 12.922 0.319 1.00 . A A . 3 SER HA 1 1 16 6246 1 1 3 SER HB2 H 0.241 12.235 2.407 1.00 . A A . 3 SER HB2 1 1 16 6247 1 1 3 SER HB3 H -0.644 11.086 1.415 1.00 . A A . 3 SER HB3 1 1 16 6248 1 1 3 SER HG H 2.065 11.132 2.131 1.00 . A A . 3 SER HG 1 1 16 6249 1 1 3 SER N N -0.425 13.587 0.335 1.00 . A A . 3 SER N 1 1 16 6250 1 1 3 SER O O -0.855 11.427 -1.392 1.00 . A A . 3 SER O 1 1 16 6251 1 1 3 SER OG O 1.338 10.670 1.688 1.00 . A A . 3 SER OG 1 1 16 6252 1 1 4 PRO C C 0.769 9.272 -2.727 1.00 . A A . 4 PRO C 1 1 16 6253 1 1 4 PRO CA C 1.342 10.647 -3.009 1.00 . A A . 4 PRO CA 1 1 16 6254 1 1 4 PRO CB C 2.804 10.533 -3.441 1.00 . A A . 4 PRO CB 1 1 16 6255 1 1 4 PRO CD C 2.773 11.874 -1.476 1.00 . A A . 4 PRO CD 1 1 16 6256 1 1 4 PRO CG C 3.484 11.675 -2.779 1.00 . A A . 4 PRO CG 1 1 16 6257 1 1 4 PRO HA H 0.756 11.141 -3.769 1.00 . A A . 4 PRO HA 1 1 16 6258 1 1 4 PRO HB2 H 3.201 9.585 -3.112 1.00 . A A . 4 PRO HB2 1 1 16 6259 1 1 4 PRO HB3 H 2.864 10.602 -4.517 1.00 . A A . 4 PRO HB3 1 1 16 6260 1 1 4 PRO HD2 H 3.218 11.265 -0.702 1.00 . A A . 4 PRO HD2 1 1 16 6261 1 1 4 PRO HD3 H 2.797 12.919 -1.205 1.00 . A A . 4 PRO HD3 1 1 16 6262 1 1 4 PRO HG2 H 4.522 11.438 -2.606 1.00 . A A . 4 PRO HG2 1 1 16 6263 1 1 4 PRO HG3 H 3.397 12.561 -3.391 1.00 . A A . 4 PRO HG3 1 1 16 6264 1 1 4 PRO N N 1.398 11.437 -1.774 1.00 . A A . 4 PRO N 1 1 16 6265 1 1 4 PRO O O 1.239 8.561 -1.833 1.00 . A A . 4 PRO O 1 1 16 6266 1 1 5 CYS C C -0.610 6.586 -4.131 1.00 . A A . 5 CYS C 1 1 16 6267 1 1 5 CYS CA C -0.932 7.704 -3.172 1.00 . A A . 5 CYS CA 1 1 16 6268 1 1 5 CYS CB C -2.425 7.949 -3.148 1.00 . A A . 5 CYS CB 1 1 16 6269 1 1 5 CYS H H -0.502 9.468 -4.211 1.00 . A A . 5 CYS H 1 1 16 6270 1 1 5 CYS HA H -0.647 7.392 -2.178 1.00 . A A . 5 CYS HA 1 1 16 6271 1 1 5 CYS HB2 H -2.644 8.707 -2.411 1.00 . A A . 5 CYS HB2 1 1 16 6272 1 1 5 CYS HB3 H -2.741 8.296 -4.120 1.00 . A A . 5 CYS HB3 1 1 16 6273 1 1 5 CYS N N -0.233 8.910 -3.451 1.00 . A A . 5 CYS N 1 1 16 6274 1 1 5 CYS O O -0.408 6.802 -5.335 1.00 . A A . 5 CYS O 1 1 16 6275 1 1 5 CYS SG S -3.397 6.468 -2.741 1.00 . A A . 5 CYS SG 1 1 16 6276 1 1 6 PHE C C -1.368 3.197 -3.765 1.00 . A A . 6 PHE C 1 1 16 6277 1 1 6 PHE CA C -0.398 4.203 -4.349 1.00 . A A . 6 PHE CA 1 1 16 6278 1 1 6 PHE CB C 1.063 3.681 -4.358 1.00 . A A . 6 PHE CB 1 1 16 6279 1 1 6 PHE CD1 C 1.683 2.095 -2.500 1.00 . A A . 6 PHE CD1 1 1 16 6280 1 1 6 PHE CD2 C 2.243 4.401 -2.250 1.00 . A A . 6 PHE CD2 1 1 16 6281 1 1 6 PHE CE1 C 2.252 1.821 -1.273 1.00 . A A . 6 PHE CE1 1 1 16 6282 1 1 6 PHE CE2 C 2.809 4.133 -1.022 1.00 . A A . 6 PHE CE2 1 1 16 6283 1 1 6 PHE CG C 1.670 3.388 -3.005 1.00 . A A . 6 PHE CG 1 1 16 6284 1 1 6 PHE CZ C 2.817 2.842 -0.532 1.00 . A A . 6 PHE CZ 1 1 16 6285 1 1 6 PHE H H -0.597 5.334 -2.613 1.00 . A A . 6 PHE H 1 1 16 6286 1 1 6 PHE HA H -0.717 4.426 -5.356 1.00 . A A . 6 PHE HA 1 1 16 6287 1 1 6 PHE HB2 H 1.099 2.765 -4.928 1.00 . A A . 6 PHE HB2 1 1 16 6288 1 1 6 PHE HB3 H 1.684 4.416 -4.849 1.00 . A A . 6 PHE HB3 1 1 16 6289 1 1 6 PHE HD1 H 1.240 1.296 -3.077 1.00 . A A . 6 PHE HD1 1 1 16 6290 1 1 6 PHE HD2 H 2.238 5.411 -2.632 1.00 . A A . 6 PHE HD2 1 1 16 6291 1 1 6 PHE HE1 H 2.256 0.811 -0.891 1.00 . A A . 6 PHE HE1 1 1 16 6292 1 1 6 PHE HE2 H 3.249 4.933 -0.445 1.00 . A A . 6 PHE HE2 1 1 16 6293 1 1 6 PHE HZ H 3.262 2.631 0.428 1.00 . A A . 6 PHE HZ 1 1 16 6294 1 1 6 PHE N N -0.537 5.409 -3.592 1.00 . A A . 6 PHE N 1 1 16 6295 1 1 6 PHE O O -1.591 3.194 -2.545 1.00 . A A . 6 PHE O 1 1 16 6296 1 1 7 CYS C C -2.561 0.054 -4.536 1.00 . A A . 7 CYS C 1 1 16 6297 1 1 7 CYS CA C -2.965 1.457 -4.152 1.00 . A A . 7 CYS CA 1 1 16 6298 1 1 7 CYS CB C -4.336 1.768 -4.748 1.00 . A A . 7 CYS CB 1 1 16 6299 1 1 7 CYS H H -1.799 2.464 -5.563 1.00 . A A . 7 CYS H 1 1 16 6300 1 1 7 CYS HA H -3.036 1.516 -3.079 1.00 . A A . 7 CYS HA 1 1 16 6301 1 1 7 CYS HB2 H -4.282 1.651 -5.819 1.00 . A A . 7 CYS HB2 1 1 16 6302 1 1 7 CYS HB3 H -5.045 1.051 -4.361 1.00 . A A . 7 CYS HB3 1 1 16 6303 1 1 7 CYS N N -1.984 2.415 -4.601 1.00 . A A . 7 CYS N 1 1 16 6304 1 1 7 CYS O O -1.867 -0.154 -5.537 1.00 . A A . 7 CYS O 1 1 16 6305 1 1 7 CYS SG S -4.984 3.441 -4.389 1.00 . A A . 7 CYS SG 1 1 16 6306 1 1 8 VAL C C -3.973 -3.053 -3.635 1.00 . A A . 8 VAL C 1 1 16 6307 1 1 8 VAL CA C -2.706 -2.299 -3.982 1.00 . A A . 8 VAL CA 1 1 16 6308 1 1 8 VAL CB C -1.575 -2.884 -3.078 1.00 . A A . 8 VAL CB 1 1 16 6309 1 1 8 VAL CG1 C -1.133 -4.261 -3.558 1.00 . A A . 8 VAL CG1 1 1 16 6310 1 1 8 VAL CG2 C -0.386 -1.942 -2.912 1.00 . A A . 8 VAL CG2 1 1 16 6311 1 1 8 VAL H H -3.463 -0.646 -2.917 1.00 . A A . 8 VAL H 1 1 16 6312 1 1 8 VAL HA H -2.454 -2.440 -5.023 1.00 . A A . 8 VAL HA 1 1 16 6313 1 1 8 VAL HB H -2.040 -3.039 -2.118 1.00 . A A . 8 VAL HB 1 1 16 6314 1 1 8 VAL HG11 H -0.363 -4.643 -2.905 1.00 . A A . 8 VAL HG11 1 1 16 6315 1 1 8 VAL HG12 H -0.746 -4.184 -4.564 1.00 . A A . 8 VAL HG12 1 1 16 6316 1 1 8 VAL HG13 H -1.979 -4.933 -3.550 1.00 . A A . 8 VAL HG13 1 1 16 6317 1 1 8 VAL HG21 H 0.046 -1.733 -3.878 1.00 . A A . 8 VAL HG21 1 1 16 6318 1 1 8 VAL HG22 H 0.357 -2.405 -2.278 1.00 . A A . 8 VAL HG22 1 1 16 6319 1 1 8 VAL HG23 H -0.719 -1.019 -2.461 1.00 . A A . 8 VAL HG23 1 1 16 6320 1 1 8 VAL N N -2.960 -0.895 -3.727 1.00 . A A . 8 VAL N 1 1 16 6321 1 1 8 VAL O O -4.654 -2.707 -2.658 1.00 . A A . 8 VAL O 1 1 16 6322 1 1 9 GLU C C -5.006 -5.991 -3.233 1.00 . A A . 9 GLU C 1 1 16 6323 1 1 9 GLU CA C -5.451 -4.852 -4.101 1.00 . A A . 9 GLU CA 1 1 16 6324 1 1 9 GLU CB C -6.148 -5.370 -5.359 1.00 . A A . 9 GLU CB 1 1 16 6325 1 1 9 GLU CD C -8.178 -6.564 -6.282 1.00 . A A . 9 GLU CD 1 1 16 6326 1 1 9 GLU CG C -7.445 -6.110 -5.052 1.00 . A A . 9 GLU CG 1 1 16 6327 1 1 9 GLU H H -3.736 -4.251 -5.173 1.00 . A A . 9 GLU H 1 1 16 6328 1 1 9 GLU HA H -6.148 -4.264 -3.527 1.00 . A A . 9 GLU HA 1 1 16 6329 1 1 9 GLU HB2 H -6.368 -4.538 -6.010 1.00 . A A . 9 GLU HB2 1 1 16 6330 1 1 9 GLU HB3 H -5.482 -6.054 -5.864 1.00 . A A . 9 GLU HB3 1 1 16 6331 1 1 9 GLU HG2 H -7.212 -6.980 -4.457 1.00 . A A . 9 GLU HG2 1 1 16 6332 1 1 9 GLU HG3 H -8.089 -5.456 -4.483 1.00 . A A . 9 GLU HG3 1 1 16 6333 1 1 9 GLU N N -4.305 -4.045 -4.401 1.00 . A A . 9 GLU N 1 1 16 6334 1 1 9 GLU O O -4.233 -6.858 -3.672 1.00 . A A . 9 GLU O 1 1 16 6335 1 1 9 GLU OE1 O -8.082 -7.745 -6.640 1.00 . A A . 9 GLU OE1 1 1 16 6336 1 1 9 GLU OE2 O -8.885 -5.740 -6.906 1.00 . A A . 9 GLU OE2 1 1 16 6337 1 1 10 ASP C C -6.012 -8.141 -1.246 1.00 . A A . 10 ASP C 1 1 16 6338 1 1 10 ASP CA C -5.047 -7.026 -1.100 1.00 . A A . 10 ASP CA 1 1 16 6339 1 1 10 ASP CB C -4.972 -6.585 0.352 1.00 . A A . 10 ASP CB 1 1 16 6340 1 1 10 ASP CG C -4.473 -7.718 1.216 1.00 . A A . 10 ASP CG 1 1 16 6341 1 1 10 ASP H H -6.026 -5.270 -1.677 1.00 . A A . 10 ASP H 1 1 16 6342 1 1 10 ASP HA H -4.079 -7.387 -1.412 1.00 . A A . 10 ASP HA 1 1 16 6343 1 1 10 ASP HB2 H -4.300 -5.746 0.445 1.00 . A A . 10 ASP HB2 1 1 16 6344 1 1 10 ASP HB3 H -5.957 -6.304 0.694 1.00 . A A . 10 ASP HB3 1 1 16 6345 1 1 10 ASP N N -5.422 -5.976 -1.996 1.00 . A A . 10 ASP N 1 1 16 6346 1 1 10 ASP O O -7.187 -7.999 -0.925 1.00 . A A . 10 ASP O 1 1 16 6347 1 1 10 ASP OD1 O -3.264 -7.973 1.219 1.00 . A A . 10 ASP OD1 1 1 16 6348 1 1 10 ASP OD2 O -5.282 -8.400 1.863 1.00 . A A . 10 ASP OD2 1 1 16 6349 1 1 11 GLU C C -6.789 -11.080 -0.730 1.00 . A A . 11 GLU C 1 1 16 6350 1 1 11 GLU CA C -6.345 -10.377 -2.021 1.00 . A A . 11 GLU CA 1 1 16 6351 1 1 11 GLU CB C -5.572 -11.340 -2.923 1.00 . A A . 11 GLU CB 1 1 16 6352 1 1 11 GLU CD C -7.380 -11.750 -4.607 1.00 . A A . 11 GLU CD 1 1 16 6353 1 1 11 GLU CG C -6.429 -12.380 -3.621 1.00 . A A . 11 GLU CG 1 1 16 6354 1 1 11 GLU H H -4.557 -9.292 -1.872 1.00 . A A . 11 GLU H 1 1 16 6355 1 1 11 GLU HA H -7.219 -10.031 -2.553 1.00 . A A . 11 GLU HA 1 1 16 6356 1 1 11 GLU HB2 H -5.059 -10.768 -3.683 1.00 . A A . 11 GLU HB2 1 1 16 6357 1 1 11 GLU HB3 H -4.836 -11.857 -2.326 1.00 . A A . 11 GLU HB3 1 1 16 6358 1 1 11 GLU HG2 H -5.789 -13.070 -4.148 1.00 . A A . 11 GLU HG2 1 1 16 6359 1 1 11 GLU HG3 H -7.003 -12.914 -2.878 1.00 . A A . 11 GLU HG3 1 1 16 6360 1 1 11 GLU N N -5.525 -9.240 -1.720 1.00 . A A . 11 GLU N 1 1 16 6361 1 1 11 GLU O O -7.823 -11.748 -0.712 1.00 . A A . 11 GLU O 1 1 16 6362 1 1 11 GLU OE1 O -8.578 -11.608 -4.302 1.00 . A A . 11 GLU OE1 1 1 16 6363 1 1 11 GLU OE2 O -6.936 -11.369 -5.705 1.00 . A A . 11 GLU OE2 1 1 16 6364 1 1 12 THR C C -7.593 -10.885 2.237 1.00 . A A . 12 THR C 1 1 16 6365 1 1 12 THR CA C -6.362 -11.547 1.608 1.00 . A A . 12 THR CA 1 1 16 6366 1 1 12 THR CB C -5.163 -11.449 2.578 1.00 . A A . 12 THR CB 1 1 16 6367 1 1 12 THR CG2 C -5.404 -12.259 3.837 1.00 . A A . 12 THR CG2 1 1 16 6368 1 1 12 THR H H -5.288 -10.258 0.361 1.00 . A A . 12 THR H 1 1 16 6369 1 1 12 THR HA H -6.573 -12.586 1.404 1.00 . A A . 12 THR HA 1 1 16 6370 1 1 12 THR HB H -5.034 -10.411 2.840 1.00 . A A . 12 THR HB 1 1 16 6371 1 1 12 THR HG1 H -3.248 -11.880 2.568 1.00 . A A . 12 THR HG1 1 1 16 6372 1 1 12 THR HG21 H -5.537 -13.299 3.577 1.00 . A A . 12 THR HG21 1 1 16 6373 1 1 12 THR HG22 H -6.290 -11.896 4.336 1.00 . A A . 12 THR HG22 1 1 16 6374 1 1 12 THR HG23 H -4.553 -12.160 4.494 1.00 . A A . 12 THR HG23 1 1 16 6375 1 1 12 THR N N -6.048 -10.884 0.357 1.00 . A A . 12 THR N 1 1 16 6376 1 1 12 THR O O -8.495 -11.549 2.731 1.00 . A A . 12 THR O 1 1 16 6377 1 1 12 THR OG1 O -3.972 -11.932 1.932 1.00 . A A . 12 THR OG1 1 1 16 6378 1 1 13 SER C C -9.809 -8.654 1.675 1.00 . A A . 13 SER C 1 1 16 6379 1 1 13 SER CA C -8.697 -8.795 2.713 1.00 . A A . 13 SER CA 1 1 16 6380 1 1 13 SER CB C -8.146 -7.442 3.096 1.00 . A A . 13 SER CB 1 1 16 6381 1 1 13 SER H H -6.836 -9.113 1.794 1.00 . A A . 13 SER H 1 1 16 6382 1 1 13 SER HA H -9.086 -9.273 3.596 1.00 . A A . 13 SER HA 1 1 16 6383 1 1 13 SER HB2 H -7.957 -6.889 2.192 1.00 . A A . 13 SER HB2 1 1 16 6384 1 1 13 SER HB3 H -8.860 -6.915 3.712 1.00 . A A . 13 SER HB3 1 1 16 6385 1 1 13 SER HG H -6.253 -7.925 3.198 1.00 . A A . 13 SER HG 1 1 16 6386 1 1 13 SER N N -7.618 -9.578 2.180 1.00 . A A . 13 SER N 1 1 16 6387 1 1 13 SER O O -10.953 -8.318 2.002 1.00 . A A . 13 SER O 1 1 16 6388 1 1 13 SER OG O -6.923 -7.605 3.831 1.00 . A A . 13 SER OG 1 1 16 6389 1 1 14 GLY C C -10.730 -7.417 -1.046 1.00 . A A . 14 GLY C 1 1 16 6390 1 1 14 GLY CA C -10.384 -8.836 -0.674 1.00 . A A . 14 GLY CA 1 1 16 6391 1 1 14 GLY H H -8.507 -9.098 0.223 1.00 . A A . 14 GLY H 1 1 16 6392 1 1 14 GLY HA2 H -9.952 -9.329 -1.532 1.00 . A A . 14 GLY HA2 1 1 16 6393 1 1 14 GLY HA3 H -11.288 -9.353 -0.386 1.00 . A A . 14 GLY HA3 1 1 16 6394 1 1 14 GLY N N -9.446 -8.893 0.420 1.00 . A A . 14 GLY N 1 1 16 6395 1 1 14 GLY O O -11.768 -7.163 -1.645 1.00 . A A . 14 GLY O 1 1 16 6396 1 1 15 ALA C C -8.848 -4.327 -1.248 1.00 . A A . 15 ALA C 1 1 16 6397 1 1 15 ALA CA C -10.122 -5.093 -0.962 1.00 . A A . 15 ALA CA 1 1 16 6398 1 1 15 ALA CB C -10.844 -4.489 0.233 1.00 . A A . 15 ALA CB 1 1 16 6399 1 1 15 ALA H H -8.987 -6.760 -0.343 1.00 . A A . 15 ALA H 1 1 16 6400 1 1 15 ALA HA H -10.775 -5.019 -1.818 1.00 . A A . 15 ALA HA 1 1 16 6401 1 1 15 ALA HB1 H -11.755 -5.038 0.420 1.00 . A A . 15 ALA HB1 1 1 16 6402 1 1 15 ALA HB2 H -11.080 -3.456 0.025 1.00 . A A . 15 ALA HB2 1 1 16 6403 1 1 15 ALA HB3 H -10.204 -4.545 1.100 1.00 . A A . 15 ALA HB3 1 1 16 6404 1 1 15 ALA N N -9.851 -6.491 -0.724 1.00 . A A . 15 ALA N 1 1 16 6405 1 1 15 ALA O O -7.773 -4.649 -0.711 1.00 . A A . 15 ALA O 1 1 16 6406 1 1 16 LYS C C -7.635 -1.475 -1.357 1.00 . A A . 16 LYS C 1 1 16 6407 1 1 16 LYS CA C -7.863 -2.487 -2.450 1.00 . A A . 16 LYS CA 1 1 16 6408 1 1 16 LYS CB C -8.124 -1.796 -3.799 1.00 . A A . 16 LYS CB 1 1 16 6409 1 1 16 LYS CD C -7.282 -0.247 -5.650 1.00 . A A . 16 LYS CD 1 1 16 6410 1 1 16 LYS CE C -8.219 0.977 -5.558 1.00 . A A . 16 LYS CE 1 1 16 6411 1 1 16 LYS CG C -6.982 -0.922 -4.299 1.00 . A A . 16 LYS CG 1 1 16 6412 1 1 16 LYS H H -9.819 -3.174 -2.541 1.00 . A A . 16 LYS H 1 1 16 6413 1 1 16 LYS HA H -6.957 -3.058 -2.511 1.00 . A A . 16 LYS HA 1 1 16 6414 1 1 16 LYS HB2 H -8.293 -2.561 -4.542 1.00 . A A . 16 LYS HB2 1 1 16 6415 1 1 16 LYS HB3 H -9.012 -1.189 -3.714 1.00 . A A . 16 LYS HB3 1 1 16 6416 1 1 16 LYS HD2 H -6.349 0.079 -6.087 1.00 . A A . 16 LYS HD2 1 1 16 6417 1 1 16 LYS HD3 H -7.732 -0.982 -6.300 1.00 . A A . 16 LYS HD3 1 1 16 6418 1 1 16 LYS HE2 H -7.800 1.672 -4.845 1.00 . A A . 16 LYS HE2 1 1 16 6419 1 1 16 LYS HE3 H -8.246 1.456 -6.525 1.00 . A A . 16 LYS HE3 1 1 16 6420 1 1 16 LYS HG2 H -6.792 -0.154 -3.562 1.00 . A A . 16 LYS HG2 1 1 16 6421 1 1 16 LYS HG3 H -6.100 -1.536 -4.401 1.00 . A A . 16 LYS HG3 1 1 16 6422 1 1 16 LYS HZ1 H -10.190 1.517 -5.219 1.00 . A A . 16 LYS HZ1 1 1 16 6423 1 1 16 LYS HZ2 H -9.636 0.403 -4.125 1.00 . A A . 16 LYS HZ2 1 1 16 6424 1 1 16 LYS HZ3 H -10.030 -0.091 -5.704 1.00 . A A . 16 LYS HZ3 1 1 16 6425 1 1 16 LYS N N -8.958 -3.343 -2.104 1.00 . A A . 16 LYS N 1 1 16 6426 1 1 16 LYS NZ N -9.605 0.663 -5.131 1.00 . A A . 16 LYS NZ 1 1 16 6427 1 1 16 LYS O O -8.567 -0.820 -0.895 1.00 . A A . 16 LYS O 1 1 16 6428 1 1 17 THR C C -5.044 0.518 -0.557 1.00 . A A . 17 THR C 1 1 16 6429 1 1 17 THR CA C -6.051 -0.438 0.058 1.00 . A A . 17 THR CA 1 1 16 6430 1 1 17 THR CB C -5.477 -1.151 1.326 1.00 . A A . 17 THR CB 1 1 16 6431 1 1 17 THR CG2 C -4.204 -1.943 1.017 1.00 . A A . 17 THR CG2 1 1 16 6432 1 1 17 THR H H -5.714 -1.917 -1.345 1.00 . A A . 17 THR H 1 1 16 6433 1 1 17 THR HA H -6.936 0.120 0.330 1.00 . A A . 17 THR HA 1 1 16 6434 1 1 17 THR HB H -6.235 -1.831 1.685 1.00 . A A . 17 THR HB 1 1 16 6435 1 1 17 THR HG1 H -6.061 -0.057 2.811 1.00 . A A . 17 THR HG1 1 1 16 6436 1 1 17 THR HG21 H -3.450 -1.271 0.636 1.00 . A A . 17 THR HG21 1 1 16 6437 1 1 17 THR HG22 H -4.421 -2.698 0.276 1.00 . A A . 17 THR HG22 1 1 16 6438 1 1 17 THR HG23 H -3.844 -2.414 1.919 1.00 . A A . 17 THR HG23 1 1 16 6439 1 1 17 THR N N -6.423 -1.368 -0.941 1.00 . A A . 17 THR N 1 1 16 6440 1 1 17 THR O O -4.280 0.135 -1.462 1.00 . A A . 17 THR O 1 1 16 6441 1 1 17 THR OG1 O -5.217 -0.201 2.365 1.00 . A A . 17 THR OG1 1 1 16 6442 1 1 18 CYS C C -3.420 3.338 0.437 1.00 . A A . 18 CYS C 1 1 16 6443 1 1 18 CYS CA C -4.208 2.725 -0.671 1.00 . A A . 18 CYS CA 1 1 16 6444 1 1 18 CYS CB C -5.003 3.805 -1.382 1.00 . A A . 18 CYS CB 1 1 16 6445 1 1 18 CYS H H -5.719 1.998 0.554 1.00 . A A . 18 CYS H 1 1 16 6446 1 1 18 CYS HA H -3.535 2.266 -1.377 1.00 . A A . 18 CYS HA 1 1 16 6447 1 1 18 CYS HB2 H -5.586 4.333 -0.647 1.00 . A A . 18 CYS HB2 1 1 16 6448 1 1 18 CYS HB3 H -4.316 4.519 -1.815 1.00 . A A . 18 CYS HB3 1 1 16 6449 1 1 18 CYS N N -5.082 1.733 -0.143 1.00 . A A . 18 CYS N 1 1 16 6450 1 1 18 CYS O O -3.750 3.171 1.615 1.00 . A A . 18 CYS O 1 1 16 6451 1 1 18 CYS SG S -6.102 3.203 -2.716 1.00 . A A . 18 CYS SG 1 1 16 6452 1 1 19 VAL C C -1.394 6.150 0.507 1.00 . A A . 19 VAL C 1 1 16 6453 1 1 19 VAL CA C -1.558 4.726 1.018 1.00 . A A . 19 VAL CA 1 1 16 6454 1 1 19 VAL CB C -0.152 4.072 1.175 1.00 . A A . 19 VAL CB 1 1 16 6455 1 1 19 VAL CG1 C 0.678 4.813 2.218 1.00 . A A . 19 VAL CG1 1 1 16 6456 1 1 19 VAL CG2 C -0.265 2.598 1.539 1.00 . A A . 19 VAL CG2 1 1 16 6457 1 1 19 VAL H H -2.173 4.061 -0.879 1.00 . A A . 19 VAL H 1 1 16 6458 1 1 19 VAL HA H -2.067 4.727 1.970 1.00 . A A . 19 VAL HA 1 1 16 6459 1 1 19 VAL HB H 0.359 4.154 0.226 1.00 . A A . 19 VAL HB 1 1 16 6460 1 1 19 VAL HG11 H 0.179 4.768 3.175 1.00 . A A . 19 VAL HG11 1 1 16 6461 1 1 19 VAL HG12 H 0.787 5.845 1.921 1.00 . A A . 19 VAL HG12 1 1 16 6462 1 1 19 VAL HG13 H 1.654 4.356 2.296 1.00 . A A . 19 VAL HG13 1 1 16 6463 1 1 19 VAL HG21 H -0.796 2.505 2.475 1.00 . A A . 19 VAL HG21 1 1 16 6464 1 1 19 VAL HG22 H 0.723 2.172 1.638 1.00 . A A . 19 VAL HG22 1 1 16 6465 1 1 19 VAL HG23 H -0.807 2.077 0.765 1.00 . A A . 19 VAL HG23 1 1 16 6466 1 1 19 VAL N N -2.385 4.021 0.080 1.00 . A A . 19 VAL N 1 1 16 6467 1 1 19 VAL O O -0.750 6.349 -0.525 1.00 . A A . 19 VAL O 1 1 16 6468 1 1 20 PRO C C -4.251 6.325 1.960 1.00 . A A . 20 PRO C 1 1 16 6469 1 1 20 PRO CA C -2.899 6.944 2.329 1.00 . A A . 20 PRO CA 1 1 16 6470 1 1 20 PRO CB C -3.112 8.353 2.872 1.00 . A A . 20 PRO CB 1 1 16 6471 1 1 20 PRO CD C -1.931 8.581 0.808 1.00 . A A . 20 PRO CD 1 1 16 6472 1 1 20 PRO CG C -2.964 9.236 1.685 1.00 . A A . 20 PRO CG 1 1 16 6473 1 1 20 PRO HA H -2.418 6.337 3.082 1.00 . A A . 20 PRO HA 1 1 16 6474 1 1 20 PRO HB2 H -4.102 8.421 3.300 1.00 . A A . 20 PRO HB2 1 1 16 6475 1 1 20 PRO HB3 H -2.373 8.563 3.628 1.00 . A A . 20 PRO HB3 1 1 16 6476 1 1 20 PRO HD2 H -2.162 8.738 -0.236 1.00 . A A . 20 PRO HD2 1 1 16 6477 1 1 20 PRO HD3 H -0.945 8.961 1.036 1.00 . A A . 20 PRO HD3 1 1 16 6478 1 1 20 PRO HG2 H -3.910 9.306 1.169 1.00 . A A . 20 PRO HG2 1 1 16 6479 1 1 20 PRO HG3 H -2.639 10.219 1.987 1.00 . A A . 20 PRO HG3 1 1 16 6480 1 1 20 PRO N N -2.030 7.154 1.160 1.00 . A A . 20 PRO N 1 1 16 6481 1 1 20 PRO O O -4.690 6.373 0.801 1.00 . A A . 20 PRO O 1 1 16 6482 1 1 21 ASP C C -7.238 6.110 2.472 1.00 . A A . 21 ASP C 1 1 16 6483 1 1 21 ASP CA C -6.159 5.085 2.765 1.00 . A A . 21 ASP CA 1 1 16 6484 1 1 21 ASP CB C -6.470 4.276 4.022 1.00 . A A . 21 ASP CB 1 1 16 6485 1 1 21 ASP CG C -7.776 3.532 3.994 1.00 . A A . 21 ASP CG 1 1 16 6486 1 1 21 ASP H H -4.485 5.801 3.832 1.00 . A A . 21 ASP H 1 1 16 6487 1 1 21 ASP HA H -6.067 4.415 1.925 1.00 . A A . 21 ASP HA 1 1 16 6488 1 1 21 ASP HB2 H -5.681 3.560 4.196 1.00 . A A . 21 ASP HB2 1 1 16 6489 1 1 21 ASP HB3 H -6.501 4.975 4.843 1.00 . A A . 21 ASP HB3 1 1 16 6490 1 1 21 ASP N N -4.884 5.755 2.936 1.00 . A A . 21 ASP N 1 1 16 6491 1 1 21 ASP O O -7.390 7.081 3.218 1.00 . A A . 21 ASP O 1 1 16 6492 1 1 21 ASP OD1 O -8.075 2.836 3.003 1.00 . A A . 21 ASP OD1 1 1 16 6493 1 1 21 ASP OD2 O -8.493 3.562 5.007 1.00 . A A . 21 ASP OD2 1 1 16 6494 1 1 22 ASN C C -8.360 8.063 0.263 1.00 . A A . 22 ASN C 1 1 16 6495 1 1 22 ASN CA C -8.964 6.796 0.830 1.00 . A A . 22 ASN CA 1 1 16 6496 1 1 22 ASN CB C -10.039 7.135 1.844 1.00 . A A . 22 ASN CB 1 1 16 6497 1 1 22 ASN CG C -11.035 6.040 2.072 1.00 . A A . 22 ASN CG 1 1 16 6498 1 1 22 ASN H H -7.802 5.067 0.871 1.00 . A A . 22 ASN H 1 1 16 6499 1 1 22 ASN HA H -9.425 6.270 0.007 1.00 . A A . 22 ASN HA 1 1 16 6500 1 1 22 ASN HB2 H -9.578 7.382 2.786 1.00 . A A . 22 ASN HB2 1 1 16 6501 1 1 22 ASN HB3 H -10.542 7.992 1.435 1.00 . A A . 22 ASN HB3 1 1 16 6502 1 1 22 ASN HD21 H -12.142 6.752 0.618 1.00 . A A . 22 ASN HD21 1 1 16 6503 1 1 22 ASN HD22 H -12.765 5.357 1.415 1.00 . A A . 22 ASN HD22 1 1 16 6504 1 1 22 ASN N N -7.949 5.896 1.361 1.00 . A A . 22 ASN N 1 1 16 6505 1 1 22 ASN ND2 N -12.078 6.044 1.298 1.00 . A A . 22 ASN ND2 1 1 16 6506 1 1 22 ASN O O -9.006 9.115 0.236 1.00 . A A . 22 ASN O 1 1 16 6507 1 1 22 ASN OD1 O -10.870 5.197 2.939 1.00 . A A . 22 ASN OD1 1 1 16 6508 1 1 23 CYS C C -7.179 9.738 -1.959 1.00 . A A . 23 CYS C 1 1 16 6509 1 1 23 CYS CA C -6.405 9.070 -0.826 1.00 . A A . 23 CYS CA 1 1 16 6510 1 1 23 CYS CB C -5.080 8.562 -1.350 1.00 . A A . 23 CYS CB 1 1 16 6511 1 1 23 CYS H H -6.662 7.093 -0.163 1.00 . A A . 23 CYS H 1 1 16 6512 1 1 23 CYS HA H -6.212 9.803 -0.067 1.00 . A A . 23 CYS HA 1 1 16 6513 1 1 23 CYS HB2 H -4.563 9.364 -1.853 1.00 . A A . 23 CYS HB2 1 1 16 6514 1 1 23 CYS HB3 H -4.479 8.213 -0.523 1.00 . A A . 23 CYS HB3 1 1 16 6515 1 1 23 CYS N N -7.134 7.953 -0.226 1.00 . A A . 23 CYS N 1 1 16 6516 1 1 23 CYS O O -7.332 10.964 -2.006 1.00 . A A . 23 CYS O 1 1 16 6517 1 1 23 CYS SG S -5.263 7.165 -2.523 1.00 . A A . 23 CYS SG 1 1 16 6518 1 1 24 ASP C C -9.845 9.515 -3.734 1.00 . A A . 24 ASP C 1 1 16 6519 1 1 24 ASP CA C -8.378 9.403 -3.995 1.00 . A A . 24 ASP CA 1 1 16 6520 1 1 24 ASP CB C -8.079 8.553 -5.241 1.00 . A A . 24 ASP CB 1 1 16 6521 1 1 24 ASP CG C -8.737 9.104 -6.496 1.00 . A A . 24 ASP CG 1 1 16 6522 1 1 24 ASP H H -7.639 7.984 -2.603 1.00 . A A . 24 ASP H 1 1 16 6523 1 1 24 ASP HA H -8.010 10.405 -4.165 1.00 . A A . 24 ASP HA 1 1 16 6524 1 1 24 ASP HB2 H -7.012 8.525 -5.402 1.00 . A A . 24 ASP HB2 1 1 16 6525 1 1 24 ASP HB3 H -8.439 7.548 -5.078 1.00 . A A . 24 ASP HB3 1 1 16 6526 1 1 24 ASP N N -7.704 8.931 -2.824 1.00 . A A . 24 ASP N 1 1 16 6527 1 1 24 ASP O O -10.643 8.642 -4.050 1.00 . A A . 24 ASP O 1 1 16 6528 1 1 24 ASP OD1 O -9.729 8.520 -6.974 1.00 . A A . 24 ASP OD1 1 1 16 6529 1 1 24 ASP OD2 O -8.273 10.145 -7.025 1.00 . A A . 24 ASP OD2 1 1 16 6530 1 1 25 ALA C C -12.075 11.824 -3.832 1.00 . A A . 25 ALA C 1 1 16 6531 1 1 25 ALA CA C -11.530 10.898 -2.748 1.00 . A A . 25 ALA CA 1 1 16 6532 1 1 25 ALA CB C -11.546 11.579 -1.386 1.00 . A A . 25 ALA CB 1 1 16 6533 1 1 25 ALA H H -9.430 11.137 -2.796 1.00 . A A . 25 ALA H 1 1 16 6534 1 1 25 ALA HA H -12.121 9.995 -2.703 1.00 . A A . 25 ALA HA 1 1 16 6535 1 1 25 ALA HB1 H -10.923 12.460 -1.422 1.00 . A A . 25 ALA HB1 1 1 16 6536 1 1 25 ALA HB2 H -11.165 10.899 -0.637 1.00 . A A . 25 ALA HB2 1 1 16 6537 1 1 25 ALA HB3 H -12.557 11.862 -1.136 1.00 . A A . 25 ALA HB3 1 1 16 6538 1 1 25 ALA N N -10.172 10.557 -3.080 1.00 . A A . 25 ALA N 1 1 16 6539 1 1 25 ALA O O -12.894 12.690 -3.585 1.00 . A A . 25 ALA O 1 1 16 6540 1 1 26 SER C C -13.300 11.913 -6.801 1.00 . A A . 26 SER C 1 1 16 6541 1 1 26 SER CA C -12.022 12.431 -6.160 1.00 . A A . 26 SER CA 1 1 16 6542 1 1 26 SER CB C -10.884 12.457 -7.165 1.00 . A A . 26 SER CB 1 1 16 6543 1 1 26 SER H H -11.032 10.849 -5.214 1.00 . A A . 26 SER H 1 1 16 6544 1 1 26 SER HA H -12.218 13.426 -5.808 1.00 . A A . 26 SER HA 1 1 16 6545 1 1 26 SER HB2 H -10.949 11.589 -7.800 1.00 . A A . 26 SER HB2 1 1 16 6546 1 1 26 SER HB3 H -10.957 13.350 -7.767 1.00 . A A . 26 SER HB3 1 1 16 6547 1 1 26 SER HG H -9.131 11.684 -6.823 1.00 . A A . 26 SER HG 1 1 16 6548 1 1 26 SER N N -11.643 11.595 -5.048 1.00 . A A . 26 SER N 1 1 16 6549 1 1 26 SER O O -13.830 12.504 -7.745 1.00 . A A . 26 SER O 1 1 16 6550 1 1 26 SER OG O -9.620 12.458 -6.493 1.00 . A A . 26 SER OG 1 1 16 6551 1 1 27 ARG C C -15.686 9.428 -5.683 1.00 . A A . 27 ARG C 1 1 16 6552 1 1 27 ARG CA C -14.976 10.210 -6.770 1.00 . A A . 27 ARG CA 1 1 16 6553 1 1 27 ARG CB C -14.605 9.298 -7.937 1.00 . A A . 27 ARG CB 1 1 16 6554 1 1 27 ARG CD C -15.347 7.680 -9.666 1.00 . A A . 27 ARG CD 1 1 16 6555 1 1 27 ARG CG C -15.753 8.467 -8.450 1.00 . A A . 27 ARG CG 1 1 16 6556 1 1 27 ARG CZ C -16.163 5.736 -10.947 1.00 . A A . 27 ARG CZ 1 1 16 6557 1 1 27 ARG H H -13.372 10.531 -5.438 1.00 . A A . 27 ARG H 1 1 16 6558 1 1 27 ARG HA H -15.636 10.981 -7.137 1.00 . A A . 27 ARG HA 1 1 16 6559 1 1 27 ARG HB2 H -14.237 9.907 -8.750 1.00 . A A . 27 ARG HB2 1 1 16 6560 1 1 27 ARG HB3 H -13.817 8.632 -7.617 1.00 . A A . 27 ARG HB3 1 1 16 6561 1 1 27 ARG HD2 H -15.175 8.371 -10.477 1.00 . A A . 27 ARG HD2 1 1 16 6562 1 1 27 ARG HD3 H -14.436 7.144 -9.447 1.00 . A A . 27 ARG HD3 1 1 16 6563 1 1 27 ARG HE H -17.243 6.823 -9.634 1.00 . A A . 27 ARG HE 1 1 16 6564 1 1 27 ARG HG2 H -16.054 7.795 -7.661 1.00 . A A . 27 ARG HG2 1 1 16 6565 1 1 27 ARG HG3 H -16.567 9.131 -8.692 1.00 . A A . 27 ARG HG3 1 1 16 6566 1 1 27 ARG HH11 H -14.310 6.378 -11.553 1.00 . A A . 27 ARG HH11 1 1 16 6567 1 1 27 ARG HH12 H -14.823 4.932 -12.280 1.00 . A A . 27 ARG HH12 1 1 16 6568 1 1 27 ARG HH21 H -17.989 4.889 -10.662 1.00 . A A . 27 ARG HH21 1 1 16 6569 1 1 27 ARG HH22 H -16.970 4.056 -11.777 1.00 . A A . 27 ARG HH22 1 1 16 6570 1 1 27 ARG N N -13.805 10.856 -6.253 1.00 . A A . 27 ARG N 1 1 16 6571 1 1 27 ARG NE N -16.369 6.726 -10.081 1.00 . A A . 27 ARG NE 1 1 16 6572 1 1 27 ARG NH1 N -15.028 5.682 -11.644 1.00 . A A . 27 ARG NH1 1 1 16 6573 1 1 27 ARG NH2 N -17.113 4.829 -11.151 1.00 . A A . 27 ARG NH2 1 1 16 6574 1 1 27 ARG O O -15.054 8.664 -4.945 1.00 . A A . 27 ARG O 1 1 16 6575 1 1 28 GLY C C -17.778 9.521 -3.233 1.00 . A A . 28 GLY C 1 1 16 6576 1 1 28 GLY CA C -17.789 8.917 -4.618 1.00 . A A . 28 GLY CA 1 1 16 6577 1 1 28 GLY H H -17.397 10.327 -6.139 1.00 . A A . 28 GLY H 1 1 16 6578 1 1 28 GLY HA2 H -18.807 8.894 -4.976 1.00 . A A . 28 GLY HA2 1 1 16 6579 1 1 28 GLY HA3 H -17.420 7.903 -4.559 1.00 . A A . 28 GLY HA3 1 1 16 6580 1 1 28 GLY N N -16.981 9.648 -5.565 1.00 . A A . 28 GLY N 1 1 16 6581 1 1 28 GLY O O -18.354 8.961 -2.305 1.00 . A A . 28 GLY O 1 1 16 6582 1 1 29 THR C C -18.209 12.279 -1.655 1.00 . A A . 29 THR C 1 1 16 6583 1 1 29 THR CA C -17.061 11.289 -1.814 1.00 . A A . 29 THR CA 1 1 16 6584 1 1 29 THR CB C -15.700 11.972 -1.670 1.00 . A A . 29 THR CB 1 1 16 6585 1 1 29 THR CG2 C -15.514 12.542 -0.272 1.00 . A A . 29 THR CG2 1 1 16 6586 1 1 29 THR H H -16.726 11.092 -3.853 1.00 . A A . 29 THR H 1 1 16 6587 1 1 29 THR HA H -17.151 10.528 -1.053 1.00 . A A . 29 THR HA 1 1 16 6588 1 1 29 THR HB H -15.619 12.762 -2.404 1.00 . A A . 29 THR HB 1 1 16 6589 1 1 29 THR HG1 H -15.067 10.138 -1.640 1.00 . A A . 29 THR HG1 1 1 16 6590 1 1 29 THR HG21 H -16.280 13.279 -0.087 1.00 . A A . 29 THR HG21 1 1 16 6591 1 1 29 THR HG22 H -14.540 13.003 -0.194 1.00 . A A . 29 THR HG22 1 1 16 6592 1 1 29 THR HG23 H -15.599 11.747 0.455 1.00 . A A . 29 THR HG23 1 1 16 6593 1 1 29 THR N N -17.147 10.649 -3.084 1.00 . A A . 29 THR N 1 1 16 6594 1 1 29 THR O O -18.197 13.370 -2.223 1.00 . A A . 29 THR O 1 1 16 6595 1 1 29 THR OG1 O -14.694 10.983 -1.914 1.00 . A A . 29 THR OG1 1 1 16 6596 1 1 30 ASN C C -20.391 13.187 0.695 1.00 . A A . 30 ASN C 1 1 16 6597 1 1 30 ASN CA C -20.403 12.660 -0.731 1.00 . A A . 30 ASN CA 1 1 16 6598 1 1 30 ASN CB C -21.673 11.822 -0.986 1.00 . A A . 30 ASN CB 1 1 16 6599 1 1 30 ASN CG C -21.767 11.285 -2.411 1.00 . A A . 30 ASN CG 1 1 16 6600 1 1 30 ASN H H -19.181 10.971 -0.521 1.00 . A A . 30 ASN H 1 1 16 6601 1 1 30 ASN HA H -20.367 13.477 -1.435 1.00 . A A . 30 ASN HA 1 1 16 6602 1 1 30 ASN HB2 H -21.690 10.983 -0.307 1.00 . A A . 30 ASN HB2 1 1 16 6603 1 1 30 ASN HB3 H -22.538 12.441 -0.799 1.00 . A A . 30 ASN HB3 1 1 16 6604 1 1 30 ASN HD21 H -22.689 9.664 -1.769 1.00 . A A . 30 ASN HD21 1 1 16 6605 1 1 30 ASN HD22 H -22.406 9.743 -3.465 1.00 . A A . 30 ASN HD22 1 1 16 6606 1 1 30 ASN N N -19.221 11.856 -0.942 1.00 . A A . 30 ASN N 1 1 16 6607 1 1 30 ASN ND2 N -22.345 10.125 -2.563 1.00 . A A . 30 ASN ND2 1 1 16 6608 1 1 30 ASN O O -19.978 12.461 1.610 1.00 . A A . 30 ASN O 1 1 16 6609 1 1 30 ASN OD1 O -21.303 11.914 -3.371 1.00 . A A . 30 ASN OD1 1 1 16 6610 1 1 31 PRO C C -21.787 14.376 3.165 1.00 . A A . 31 PRO C 1 1 16 6611 1 1 31 PRO CA C -20.812 15.069 2.239 1.00 . A A . 31 PRO CA 1 1 16 6612 1 1 31 PRO CB C -21.246 16.516 2.000 1.00 . A A . 31 PRO CB 1 1 16 6613 1 1 31 PRO CD C -21.292 15.387 -0.115 1.00 . A A . 31 PRO CD 1 1 16 6614 1 1 31 PRO CG C -21.146 16.731 0.534 1.00 . A A . 31 PRO CG 1 1 16 6615 1 1 31 PRO HA H -19.830 15.047 2.689 1.00 . A A . 31 PRO HA 1 1 16 6616 1 1 31 PRO HB2 H -22.256 16.647 2.358 1.00 . A A . 31 PRO HB2 1 1 16 6617 1 1 31 PRO HB3 H -20.587 17.178 2.543 1.00 . A A . 31 PRO HB3 1 1 16 6618 1 1 31 PRO HD2 H -22.326 15.189 -0.352 1.00 . A A . 31 PRO HD2 1 1 16 6619 1 1 31 PRO HD3 H -20.682 15.349 -1.004 1.00 . A A . 31 PRO HD3 1 1 16 6620 1 1 31 PRO HG2 H -21.947 17.382 0.217 1.00 . A A . 31 PRO HG2 1 1 16 6621 1 1 31 PRO HG3 H -20.191 17.168 0.291 1.00 . A A . 31 PRO HG3 1 1 16 6622 1 1 31 PRO N N -20.797 14.456 0.910 1.00 . A A . 31 PRO N 1 1 16 6623 1 1 31 PRO O O -23.013 14.449 2.920 1.00 . A A . 31 PRO O 1 1 16 6624 1 1 31 PRO OXT O -21.343 13.767 4.146 1.00 . A A . 31 PRO OXT 1 1 17 6625 1 1 1 ASP C C 7.716 11.265 3.589 1.00 . A A . 1 ASP C 1 1 17 6626 1 1 1 ASP CA C 8.234 11.396 4.994 1.00 . A A . 1 ASP CA 1 1 17 6627 1 1 1 ASP CB C 7.074 11.685 5.950 1.00 . A A . 1 ASP CB 1 1 17 6628 1 1 1 ASP CG C 5.951 10.688 5.793 1.00 . A A . 1 ASP CG 1 1 17 6629 1 1 1 ASP H1 H 10.050 12.159 4.451 1.00 . A A . 1 ASP H1 1 1 17 6630 1 1 1 ASP H2 H 9.583 12.594 6.037 1.00 . A A . 1 ASP H2 1 1 17 6631 1 1 1 ASP H3 H 8.855 13.317 4.678 1.00 . A A . 1 ASP H3 1 1 17 6632 1 1 1 ASP HA H 8.688 10.456 5.266 1.00 . A A . 1 ASP HA 1 1 17 6633 1 1 1 ASP HB2 H 7.429 11.639 6.968 1.00 . A A . 1 ASP HB2 1 1 17 6634 1 1 1 ASP HB3 H 6.686 12.672 5.751 1.00 . A A . 1 ASP HB3 1 1 17 6635 1 1 1 ASP N N 9.256 12.437 5.063 1.00 . A A . 1 ASP N 1 1 17 6636 1 1 1 ASP O O 7.196 12.221 3.022 1.00 . A A . 1 ASP O 1 1 17 6637 1 1 1 ASP OD1 O 6.038 9.576 6.349 1.00 . A A . 1 ASP OD1 1 1 17 6638 1 1 1 ASP OD2 O 4.961 10.998 5.104 1.00 . A A . 1 ASP OD2 1 1 17 6639 1 1 2 VAL C C 6.029 9.129 1.773 1.00 . A A . 2 VAL C 1 1 17 6640 1 1 2 VAL CA C 7.376 9.847 1.703 1.00 . A A . 2 VAL CA 1 1 17 6641 1 1 2 VAL CB C 8.419 9.073 0.816 1.00 . A A . 2 VAL CB 1 1 17 6642 1 1 2 VAL CG1 C 8.880 7.770 1.463 1.00 . A A . 2 VAL CG1 1 1 17 6643 1 1 2 VAL CG2 C 7.866 8.816 -0.582 1.00 . A A . 2 VAL CG2 1 1 17 6644 1 1 2 VAL H H 8.295 9.368 3.514 1.00 . A A . 2 VAL H 1 1 17 6645 1 1 2 VAL HA H 7.197 10.817 1.260 1.00 . A A . 2 VAL HA 1 1 17 6646 1 1 2 VAL HB H 9.289 9.706 0.720 1.00 . A A . 2 VAL HB 1 1 17 6647 1 1 2 VAL HG11 H 9.319 7.984 2.426 1.00 . A A . 2 VAL HG11 1 1 17 6648 1 1 2 VAL HG12 H 9.616 7.294 0.832 1.00 . A A . 2 VAL HG12 1 1 17 6649 1 1 2 VAL HG13 H 8.034 7.112 1.592 1.00 . A A . 2 VAL HG13 1 1 17 6650 1 1 2 VAL HG21 H 8.602 8.287 -1.170 1.00 . A A . 2 VAL HG21 1 1 17 6651 1 1 2 VAL HG22 H 7.633 9.758 -1.054 1.00 . A A . 2 VAL HG22 1 1 17 6652 1 1 2 VAL HG23 H 6.969 8.219 -0.507 1.00 . A A . 2 VAL HG23 1 1 17 6653 1 1 2 VAL N N 7.863 10.100 3.025 1.00 . A A . 2 VAL N 1 1 17 6654 1 1 2 VAL O O 5.940 7.952 2.149 1.00 . A A . 2 VAL O 1 1 17 6655 1 1 3 SER C C 2.914 9.739 0.227 1.00 . A A . 3 SER C 1 1 17 6656 1 1 3 SER CA C 3.666 9.312 1.488 1.00 . A A . 3 SER CA 1 1 17 6657 1 1 3 SER CB C 2.888 9.720 2.744 1.00 . A A . 3 SER CB 1 1 17 6658 1 1 3 SER H H 5.100 10.808 1.297 1.00 . A A . 3 SER H 1 1 17 6659 1 1 3 SER HA H 3.765 8.237 1.481 1.00 . A A . 3 SER HA 1 1 17 6660 1 1 3 SER HB2 H 2.884 10.797 2.824 1.00 . A A . 3 SER HB2 1 1 17 6661 1 1 3 SER HB3 H 1.871 9.365 2.664 1.00 . A A . 3 SER HB3 1 1 17 6662 1 1 3 SER HG H 4.079 9.837 4.307 1.00 . A A . 3 SER HG 1 1 17 6663 1 1 3 SER N N 4.992 9.855 1.502 1.00 . A A . 3 SER N 1 1 17 6664 1 1 3 SER O O 2.284 10.798 0.204 1.00 . A A . 3 SER O 1 1 17 6665 1 1 3 SER OG O 3.479 9.172 3.927 1.00 . A A . 3 SER OG 1 1 17 6666 1 1 4 PRO C C 0.992 8.455 -2.044 1.00 . A A . 4 PRO C 1 1 17 6667 1 1 4 PRO CA C 2.317 9.211 -2.089 1.00 . A A . 4 PRO CA 1 1 17 6668 1 1 4 PRO CB C 3.243 8.619 -3.178 1.00 . A A . 4 PRO CB 1 1 17 6669 1 1 4 PRO CD C 3.956 7.841 -1.022 1.00 . A A . 4 PRO CD 1 1 17 6670 1 1 4 PRO CG C 4.390 7.978 -2.447 1.00 . A A . 4 PRO CG 1 1 17 6671 1 1 4 PRO HA H 2.124 10.256 -2.282 1.00 . A A . 4 PRO HA 1 1 17 6672 1 1 4 PRO HB2 H 2.691 7.887 -3.750 1.00 . A A . 4 PRO HB2 1 1 17 6673 1 1 4 PRO HB3 H 3.584 9.408 -3.832 1.00 . A A . 4 PRO HB3 1 1 17 6674 1 1 4 PRO HD2 H 3.429 6.911 -0.882 1.00 . A A . 4 PRO HD2 1 1 17 6675 1 1 4 PRO HD3 H 4.800 7.917 -0.351 1.00 . A A . 4 PRO HD3 1 1 17 6676 1 1 4 PRO HG2 H 4.600 7.005 -2.869 1.00 . A A . 4 PRO HG2 1 1 17 6677 1 1 4 PRO HG3 H 5.265 8.608 -2.515 1.00 . A A . 4 PRO HG3 1 1 17 6678 1 1 4 PRO N N 3.054 8.978 -0.868 1.00 . A A . 4 PRO N 1 1 17 6679 1 1 4 PRO O O 0.627 7.897 -1.003 1.00 . A A . 4 PRO O 1 1 17 6680 1 1 5 CYS C C -0.710 6.452 -3.967 1.00 . A A . 5 CYS C 1 1 17 6681 1 1 5 CYS CA C -0.954 7.711 -3.198 1.00 . A A . 5 CYS CA 1 1 17 6682 1 1 5 CYS CB C -2.017 8.518 -3.908 1.00 . A A . 5 CYS CB 1 1 17 6683 1 1 5 CYS H H 0.595 8.890 -3.945 1.00 . A A . 5 CYS H 1 1 17 6684 1 1 5 CYS HA H -1.282 7.478 -2.196 1.00 . A A . 5 CYS HA 1 1 17 6685 1 1 5 CYS HB2 H -2.098 9.506 -3.480 1.00 . A A . 5 CYS HB2 1 1 17 6686 1 1 5 CYS HB3 H -1.658 8.577 -4.926 1.00 . A A . 5 CYS HB3 1 1 17 6687 1 1 5 CYS N N 0.282 8.434 -3.134 1.00 . A A . 5 CYS N 1 1 17 6688 1 1 5 CYS O O -0.440 6.492 -5.174 1.00 . A A . 5 CYS O 1 1 17 6689 1 1 5 CYS SG S -3.684 7.735 -3.941 1.00 . A A . 5 CYS SG 1 1 17 6690 1 1 6 PHE C C -1.667 3.199 -3.626 1.00 . A A . 6 PHE C 1 1 17 6691 1 1 6 PHE CA C -0.529 4.120 -3.962 1.00 . A A . 6 PHE CA 1 1 17 6692 1 1 6 PHE CB C 0.802 3.520 -3.515 1.00 . A A . 6 PHE CB 1 1 17 6693 1 1 6 PHE CD1 C 1.139 1.176 -4.334 1.00 . A A . 6 PHE CD1 1 1 17 6694 1 1 6 PHE CD2 C 2.058 2.982 -5.571 1.00 . A A . 6 PHE CD2 1 1 17 6695 1 1 6 PHE CE1 C 1.641 0.285 -5.261 1.00 . A A . 6 PHE CE1 1 1 17 6696 1 1 6 PHE CE2 C 2.561 2.113 -6.493 1.00 . A A . 6 PHE CE2 1 1 17 6697 1 1 6 PHE CG C 1.346 2.534 -4.485 1.00 . A A . 6 PHE CG 1 1 17 6698 1 1 6 PHE CZ C 2.356 0.755 -6.346 1.00 . A A . 6 PHE CZ 1 1 17 6699 1 1 6 PHE H H -0.916 5.358 -2.331 1.00 . A A . 6 PHE H 1 1 17 6700 1 1 6 PHE HA H -0.499 4.295 -5.028 1.00 . A A . 6 PHE HA 1 1 17 6701 1 1 6 PHE HB2 H 1.528 4.312 -3.399 1.00 . A A . 6 PHE HB2 1 1 17 6702 1 1 6 PHE HB3 H 0.665 3.020 -2.567 1.00 . A A . 6 PHE HB3 1 1 17 6703 1 1 6 PHE HD1 H 0.580 0.816 -3.483 1.00 . A A . 6 PHE HD1 1 1 17 6704 1 1 6 PHE HD2 H 2.222 4.044 -5.690 1.00 . A A . 6 PHE HD2 1 1 17 6705 1 1 6 PHE HE1 H 1.474 -0.774 -5.136 1.00 . A A . 6 PHE HE1 1 1 17 6706 1 1 6 PHE HE2 H 3.110 2.522 -7.326 1.00 . A A . 6 PHE HE2 1 1 17 6707 1 1 6 PHE HZ H 2.752 0.064 -7.076 1.00 . A A . 6 PHE HZ 1 1 17 6708 1 1 6 PHE N N -0.745 5.351 -3.300 1.00 . A A . 6 PHE N 1 1 17 6709 1 1 6 PHE O O -2.014 3.057 -2.472 1.00 . A A . 6 PHE O 1 1 17 6710 1 1 7 CYS C C -2.919 0.308 -4.722 1.00 . A A . 7 CYS C 1 1 17 6711 1 1 7 CYS CA C -3.341 1.692 -4.355 1.00 . A A . 7 CYS CA 1 1 17 6712 1 1 7 CYS CB C -4.610 2.080 -5.087 1.00 . A A . 7 CYS CB 1 1 17 6713 1 1 7 CYS H H -1.993 2.779 -5.533 1.00 . A A . 7 CYS H 1 1 17 6714 1 1 7 CYS HA H -3.529 1.707 -3.295 1.00 . A A . 7 CYS HA 1 1 17 6715 1 1 7 CYS HB2 H -4.422 2.011 -6.144 1.00 . A A . 7 CYS HB2 1 1 17 6716 1 1 7 CYS HB3 H -5.375 1.360 -4.833 1.00 . A A . 7 CYS HB3 1 1 17 6717 1 1 7 CYS N N -2.268 2.611 -4.607 1.00 . A A . 7 CYS N 1 1 17 6718 1 1 7 CYS O O -2.193 0.101 -5.702 1.00 . A A . 7 CYS O 1 1 17 6719 1 1 7 CYS SG S -5.246 3.747 -4.666 1.00 . A A . 7 CYS SG 1 1 17 6720 1 1 8 VAL C C -4.215 -2.833 -4.003 1.00 . A A . 8 VAL C 1 1 17 6721 1 1 8 VAL CA C -2.965 -2.000 -4.120 1.00 . A A . 8 VAL CA 1 1 17 6722 1 1 8 VAL CB C -1.967 -2.502 -3.031 1.00 . A A . 8 VAL CB 1 1 17 6723 1 1 8 VAL CG1 C -1.381 -3.858 -3.388 1.00 . A A . 8 VAL CG1 1 1 17 6724 1 1 8 VAL CG2 C -0.870 -1.494 -2.721 1.00 . A A . 8 VAL CG2 1 1 17 6725 1 1 8 VAL H H -3.917 -0.388 -3.178 1.00 . A A . 8 VAL H 1 1 17 6726 1 1 8 VAL HA H -2.517 -2.123 -5.094 1.00 . A A . 8 VAL HA 1 1 17 6727 1 1 8 VAL HB H -2.565 -2.653 -2.147 1.00 . A A . 8 VAL HB 1 1 17 6728 1 1 8 VAL HG11 H -0.850 -3.785 -4.325 1.00 . A A . 8 VAL HG11 1 1 17 6729 1 1 8 VAL HG12 H -2.180 -4.580 -3.483 1.00 . A A . 8 VAL HG12 1 1 17 6730 1 1 8 VAL HG13 H -0.700 -4.174 -2.611 1.00 . A A . 8 VAL HG13 1 1 17 6731 1 1 8 VAL HG21 H -1.313 -0.576 -2.364 1.00 . A A . 8 VAL HG21 1 1 17 6732 1 1 8 VAL HG22 H -0.305 -1.293 -3.620 1.00 . A A . 8 VAL HG22 1 1 17 6733 1 1 8 VAL HG23 H -0.212 -1.897 -1.966 1.00 . A A . 8 VAL HG23 1 1 17 6734 1 1 8 VAL N N -3.324 -0.625 -3.928 1.00 . A A . 8 VAL N 1 1 17 6735 1 1 8 VAL O O -5.081 -2.565 -3.155 1.00 . A A . 8 VAL O 1 1 17 6736 1 1 9 GLU C C -4.982 -5.763 -3.737 1.00 . A A . 9 GLU C 1 1 17 6737 1 1 9 GLU CA C -5.402 -4.741 -4.778 1.00 . A A . 9 GLU CA 1 1 17 6738 1 1 9 GLU CB C -5.558 -5.384 -6.167 1.00 . A A . 9 GLU CB 1 1 17 6739 1 1 9 GLU CD C -8.052 -5.554 -6.119 1.00 . A A . 9 GLU CD 1 1 17 6740 1 1 9 GLU CG C -6.758 -6.283 -6.332 1.00 . A A . 9 GLU CG 1 1 17 6741 1 1 9 GLU H H -3.579 -3.962 -5.459 1.00 . A A . 9 GLU H 1 1 17 6742 1 1 9 GLU HA H -6.317 -4.246 -4.476 1.00 . A A . 9 GLU HA 1 1 17 6743 1 1 9 GLU HB2 H -5.640 -4.591 -6.894 1.00 . A A . 9 GLU HB2 1 1 17 6744 1 1 9 GLU HB3 H -4.670 -5.960 -6.380 1.00 . A A . 9 GLU HB3 1 1 17 6745 1 1 9 GLU HG2 H -6.754 -6.692 -7.332 1.00 . A A . 9 GLU HG2 1 1 17 6746 1 1 9 GLU HG3 H -6.689 -7.087 -5.614 1.00 . A A . 9 GLU HG3 1 1 17 6747 1 1 9 GLU N N -4.314 -3.816 -4.827 1.00 . A A . 9 GLU N 1 1 17 6748 1 1 9 GLU O O -4.088 -6.577 -3.981 1.00 . A A . 9 GLU O 1 1 17 6749 1 1 9 GLU OE1 O -8.582 -4.951 -7.084 1.00 . A A . 9 GLU OE1 1 1 17 6750 1 1 9 GLU OE2 O -8.580 -5.600 -4.997 1.00 . A A . 9 GLU OE2 1 1 17 6751 1 1 10 ASP C C -5.890 -7.750 -1.332 1.00 . A A . 10 ASP C 1 1 17 6752 1 1 10 ASP CA C -5.118 -6.487 -1.468 1.00 . A A . 10 ASP CA 1 1 17 6753 1 1 10 ASP CB C -5.111 -5.708 -0.156 1.00 . A A . 10 ASP CB 1 1 17 6754 1 1 10 ASP CG C -4.699 -6.569 1.009 1.00 . A A . 10 ASP CG 1 1 17 6755 1 1 10 ASP H H -6.343 -5.100 -2.452 1.00 . A A . 10 ASP H 1 1 17 6756 1 1 10 ASP HA H -4.098 -6.760 -1.692 1.00 . A A . 10 ASP HA 1 1 17 6757 1 1 10 ASP HB2 H -4.429 -4.874 -0.225 1.00 . A A . 10 ASP HB2 1 1 17 6758 1 1 10 ASP HB3 H -6.110 -5.346 0.038 1.00 . A A . 10 ASP HB3 1 1 17 6759 1 1 10 ASP N N -5.570 -5.687 -2.574 1.00 . A A . 10 ASP N 1 1 17 6760 1 1 10 ASP O O -7.117 -7.748 -1.194 1.00 . A A . 10 ASP O 1 1 17 6761 1 1 10 ASP OD1 O -5.476 -6.687 1.955 1.00 . A A . 10 ASP OD1 1 1 17 6762 1 1 10 ASP OD2 O -3.606 -7.205 0.963 1.00 . A A . 10 ASP OD2 1 1 17 6763 1 1 11 GLU C C -5.979 -10.556 0.175 1.00 . A A . 11 GLU C 1 1 17 6764 1 1 11 GLU CA C -5.732 -10.152 -1.276 1.00 . A A . 11 GLU CA 1 1 17 6765 1 1 11 GLU CB C -4.803 -11.134 -1.960 1.00 . A A . 11 GLU CB 1 1 17 6766 1 1 11 GLU CD C -3.591 -11.716 -4.094 1.00 . A A . 11 GLU CD 1 1 17 6767 1 1 11 GLU CG C -4.590 -10.815 -3.430 1.00 . A A . 11 GLU CG 1 1 17 6768 1 1 11 GLU H H -4.202 -8.710 -1.470 1.00 . A A . 11 GLU H 1 1 17 6769 1 1 11 GLU HA H -6.675 -10.147 -1.802 1.00 . A A . 11 GLU HA 1 1 17 6770 1 1 11 GLU HB2 H -3.849 -11.119 -1.455 1.00 . A A . 11 GLU HB2 1 1 17 6771 1 1 11 GLU HB3 H -5.229 -12.121 -1.877 1.00 . A A . 11 GLU HB3 1 1 17 6772 1 1 11 GLU HG2 H -5.534 -10.909 -3.946 1.00 . A A . 11 GLU HG2 1 1 17 6773 1 1 11 GLU HG3 H -4.246 -9.795 -3.511 1.00 . A A . 11 GLU HG3 1 1 17 6774 1 1 11 GLU N N -5.170 -8.824 -1.363 1.00 . A A . 11 GLU N 1 1 17 6775 1 1 11 GLU O O -6.643 -11.558 0.444 1.00 . A A . 11 GLU O 1 1 17 6776 1 1 11 GLU OE1 O -3.955 -12.839 -4.495 1.00 . A A . 11 GLU OE1 1 1 17 6777 1 1 11 GLU OE2 O -2.423 -11.296 -4.264 1.00 . A A . 11 GLU OE2 1 1 17 6778 1 1 12 THR C C -7.061 -9.614 2.921 1.00 . A A . 12 THR C 1 1 17 6779 1 1 12 THR CA C -5.634 -10.023 2.518 1.00 . A A . 12 THR CA 1 1 17 6780 1 1 12 THR CB C -4.620 -9.203 3.348 1.00 . A A . 12 THR CB 1 1 17 6781 1 1 12 THR CG2 C -4.581 -9.688 4.793 1.00 . A A . 12 THR CG2 1 1 17 6782 1 1 12 THR H H -4.899 -9.009 0.828 1.00 . A A . 12 THR H 1 1 17 6783 1 1 12 THR HA H -5.488 -11.076 2.710 1.00 . A A . 12 THR HA 1 1 17 6784 1 1 12 THR HB H -4.917 -8.165 3.325 1.00 . A A . 12 THR HB 1 1 17 6785 1 1 12 THR HG1 H -3.247 -8.596 2.124 1.00 . A A . 12 THR HG1 1 1 17 6786 1 1 12 THR HG21 H -4.276 -10.724 4.819 1.00 . A A . 12 THR HG21 1 1 17 6787 1 1 12 THR HG22 H -5.564 -9.594 5.228 1.00 . A A . 12 THR HG22 1 1 17 6788 1 1 12 THR HG23 H -3.880 -9.090 5.357 1.00 . A A . 12 THR HG23 1 1 17 6789 1 1 12 THR N N -5.448 -9.776 1.098 1.00 . A A . 12 THR N 1 1 17 6790 1 1 12 THR O O -7.789 -10.378 3.550 1.00 . A A . 12 THR O 1 1 17 6791 1 1 12 THR OG1 O -3.305 -9.327 2.760 1.00 . A A . 12 THR OG1 1 1 17 6792 1 1 13 SER C C -9.737 -8.393 1.750 1.00 . A A . 13 SER C 1 1 17 6793 1 1 13 SER CA C -8.759 -7.896 2.826 1.00 . A A . 13 SER CA 1 1 17 6794 1 1 13 SER CB C -8.712 -6.359 2.880 1.00 . A A . 13 SER CB 1 1 17 6795 1 1 13 SER H H -6.777 -7.791 2.143 1.00 . A A . 13 SER H 1 1 17 6796 1 1 13 SER HA H -9.080 -8.266 3.786 1.00 . A A . 13 SER HA 1 1 17 6797 1 1 13 SER HB2 H -7.956 -6.044 3.583 1.00 . A A . 13 SER HB2 1 1 17 6798 1 1 13 SER HB3 H -8.450 -6.018 1.892 1.00 . A A . 13 SER HB3 1 1 17 6799 1 1 13 SER HG H -10.422 -6.388 3.843 1.00 . A A . 13 SER HG 1 1 17 6800 1 1 13 SER N N -7.438 -8.400 2.559 1.00 . A A . 13 SER N 1 1 17 6801 1 1 13 SER O O -10.942 -8.539 1.999 1.00 . A A . 13 SER O 1 1 17 6802 1 1 13 SER OG O -9.958 -5.780 3.253 1.00 . A A . 13 SER OG 1 1 17 6803 1 1 14 GLY C C -10.633 -7.941 -1.245 1.00 . A A . 14 GLY C 1 1 17 6804 1 1 14 GLY CA C -10.042 -9.130 -0.530 1.00 . A A . 14 GLY CA 1 1 17 6805 1 1 14 GLY H H -8.239 -8.609 0.434 1.00 . A A . 14 GLY H 1 1 17 6806 1 1 14 GLY HA2 H -9.446 -9.707 -1.222 1.00 . A A . 14 GLY HA2 1 1 17 6807 1 1 14 GLY HA3 H -10.844 -9.743 -0.148 1.00 . A A . 14 GLY HA3 1 1 17 6808 1 1 14 GLY N N -9.207 -8.692 0.569 1.00 . A A . 14 GLY N 1 1 17 6809 1 1 14 GLY O O -11.647 -8.044 -1.943 1.00 . A A . 14 GLY O 1 1 17 6810 1 1 15 ALA C C -9.215 -4.670 -1.790 1.00 . A A . 15 ALA C 1 1 17 6811 1 1 15 ALA CA C -10.415 -5.570 -1.629 1.00 . A A . 15 ALA CA 1 1 17 6812 1 1 15 ALA CB C -11.440 -4.916 -0.708 1.00 . A A . 15 ALA CB 1 1 17 6813 1 1 15 ALA H H -9.134 -6.811 -0.585 1.00 . A A . 15 ALA H 1 1 17 6814 1 1 15 ALA HA H -10.875 -5.753 -2.589 1.00 . A A . 15 ALA HA 1 1 17 6815 1 1 15 ALA HB1 H -10.994 -4.748 0.262 1.00 . A A . 15 ALA HB1 1 1 17 6816 1 1 15 ALA HB2 H -12.297 -5.564 -0.602 1.00 . A A . 15 ALA HB2 1 1 17 6817 1 1 15 ALA HB3 H -11.750 -3.971 -1.128 1.00 . A A . 15 ALA HB3 1 1 17 6818 1 1 15 ALA N N -9.982 -6.815 -1.079 1.00 . A A . 15 ALA N 1 1 17 6819 1 1 15 ALA O O -8.207 -4.843 -1.095 1.00 . A A . 15 ALA O 1 1 17 6820 1 1 16 LYS C C -8.244 -1.785 -1.821 1.00 . A A . 16 LYS C 1 1 17 6821 1 1 16 LYS CA C -8.271 -2.800 -2.952 1.00 . A A . 16 LYS CA 1 1 17 6822 1 1 16 LYS CB C -8.512 -2.090 -4.289 1.00 . A A . 16 LYS CB 1 1 17 6823 1 1 16 LYS CD C -7.753 -0.331 -5.935 1.00 . A A . 16 LYS CD 1 1 17 6824 1 1 16 LYS CE C -7.797 -1.287 -7.114 1.00 . A A . 16 LYS CE 1 1 17 6825 1 1 16 LYS CG C -7.461 -1.044 -4.632 1.00 . A A . 16 LYS CG 1 1 17 6826 1 1 16 LYS H H -10.071 -3.768 -3.318 1.00 . A A . 16 LYS H 1 1 17 6827 1 1 16 LYS HA H -7.319 -3.306 -2.995 1.00 . A A . 16 LYS HA 1 1 17 6828 1 1 16 LYS HB2 H -8.521 -2.834 -5.072 1.00 . A A . 16 LYS HB2 1 1 17 6829 1 1 16 LYS HB3 H -9.477 -1.606 -4.255 1.00 . A A . 16 LYS HB3 1 1 17 6830 1 1 16 LYS HD2 H -8.710 0.164 -5.852 1.00 . A A . 16 LYS HD2 1 1 17 6831 1 1 16 LYS HD3 H -6.982 0.405 -6.106 1.00 . A A . 16 LYS HD3 1 1 17 6832 1 1 16 LYS HE2 H -6.896 -1.882 -7.128 1.00 . A A . 16 LYS HE2 1 1 17 6833 1 1 16 LYS HE3 H -8.650 -1.939 -6.996 1.00 . A A . 16 LYS HE3 1 1 17 6834 1 1 16 LYS HG2 H -7.428 -0.312 -3.839 1.00 . A A . 16 LYS HG2 1 1 17 6835 1 1 16 LYS HG3 H -6.499 -1.531 -4.704 1.00 . A A . 16 LYS HG3 1 1 17 6836 1 1 16 LYS HZ1 H -7.091 0.045 -8.523 1.00 . A A . 16 LYS HZ1 1 1 17 6837 1 1 16 LYS HZ2 H -8.759 0.055 -8.401 1.00 . A A . 16 LYS HZ2 1 1 17 6838 1 1 16 LYS HZ3 H -7.976 -1.209 -9.196 1.00 . A A . 16 LYS HZ3 1 1 17 6839 1 1 16 LYS N N -9.296 -3.769 -2.722 1.00 . A A . 16 LYS N 1 1 17 6840 1 1 16 LYS NZ N -7.923 -0.564 -8.383 1.00 . A A . 16 LYS NZ 1 1 17 6841 1 1 16 LYS O O -9.295 -1.327 -1.352 1.00 . A A . 16 LYS O 1 1 17 6842 1 1 17 THR C C -5.739 0.419 -0.863 1.00 . A A . 17 THR C 1 1 17 6843 1 1 17 THR CA C -6.871 -0.478 -0.389 1.00 . A A . 17 THR CA 1 1 17 6844 1 1 17 THR CB C -6.543 -1.156 0.986 1.00 . A A . 17 THR CB 1 1 17 6845 1 1 17 THR CG2 C -5.298 -2.034 0.897 1.00 . A A . 17 THR CG2 1 1 17 6846 1 1 17 THR H H -6.277 -1.861 -1.796 1.00 . A A . 17 THR H 1 1 17 6847 1 1 17 THR HA H -7.773 0.109 -0.299 1.00 . A A . 17 THR HA 1 1 17 6848 1 1 17 THR HB H -7.390 -1.777 1.233 1.00 . A A . 17 THR HB 1 1 17 6849 1 1 17 THR HG1 H -7.238 0.221 2.210 1.00 . A A . 17 THR HG1 1 1 17 6850 1 1 17 THR HG21 H -4.448 -1.428 0.625 1.00 . A A . 17 THR HG21 1 1 17 6851 1 1 17 THR HG22 H -5.450 -2.796 0.147 1.00 . A A . 17 THR HG22 1 1 17 6852 1 1 17 THR HG23 H -5.120 -2.503 1.854 1.00 . A A . 17 THR HG23 1 1 17 6853 1 1 17 THR N N -7.078 -1.450 -1.399 1.00 . A A . 17 THR N 1 1 17 6854 1 1 17 THR O O -4.885 -0.014 -1.654 1.00 . A A . 17 THR O 1 1 17 6855 1 1 17 THR OG1 O -6.377 -0.178 2.032 1.00 . A A . 17 THR OG1 1 1 17 6856 1 1 18 CYS C C -3.911 2.922 0.317 1.00 . A A . 18 CYS C 1 1 17 6857 1 1 18 CYS CA C -4.721 2.533 -0.879 1.00 . A A . 18 CYS CA 1 1 17 6858 1 1 18 CYS CB C -5.262 3.773 -1.595 1.00 . A A . 18 CYS CB 1 1 17 6859 1 1 18 CYS H H -6.468 1.980 0.110 1.00 . A A . 18 CYS H 1 1 17 6860 1 1 18 CYS HA H -4.075 1.991 -1.549 1.00 . A A . 18 CYS HA 1 1 17 6861 1 1 18 CYS HB2 H -5.765 4.399 -0.876 1.00 . A A . 18 CYS HB2 1 1 17 6862 1 1 18 CYS HB3 H -4.417 4.327 -1.978 1.00 . A A . 18 CYS HB3 1 1 17 6863 1 1 18 CYS N N -5.758 1.646 -0.478 1.00 . A A . 18 CYS N 1 1 17 6864 1 1 18 CYS O O -4.352 2.761 1.457 1.00 . A A . 18 CYS O 1 1 17 6865 1 1 18 CYS SG S -6.388 3.427 -3.011 1.00 . A A . 18 CYS SG 1 1 17 6866 1 1 19 VAL C C -1.414 5.274 0.717 1.00 . A A . 19 VAL C 1 1 17 6867 1 1 19 VAL CA C -1.811 3.830 1.059 1.00 . A A . 19 VAL CA 1 1 17 6868 1 1 19 VAL CB C -0.533 2.926 1.064 1.00 . A A . 19 VAL CB 1 1 17 6869 1 1 19 VAL CG1 C 0.426 3.329 2.170 1.00 . A A . 19 VAL CG1 1 1 17 6870 1 1 19 VAL CG2 C -0.902 1.450 1.195 1.00 . A A . 19 VAL CG2 1 1 17 6871 1 1 19 VAL H H -2.470 3.468 -0.885 1.00 . A A . 19 VAL H 1 1 17 6872 1 1 19 VAL HA H -2.296 3.780 2.021 1.00 . A A . 19 VAL HA 1 1 17 6873 1 1 19 VAL HB H -0.027 3.066 0.119 1.00 . A A . 19 VAL HB 1 1 17 6874 1 1 19 VAL HG11 H 1.321 2.728 2.114 1.00 . A A . 19 VAL HG11 1 1 17 6875 1 1 19 VAL HG12 H -0.051 3.160 3.124 1.00 . A A . 19 VAL HG12 1 1 17 6876 1 1 19 VAL HG13 H 0.679 4.375 2.074 1.00 . A A . 19 VAL HG13 1 1 17 6877 1 1 19 VAL HG21 H -0.005 0.849 1.184 1.00 . A A . 19 VAL HG21 1 1 17 6878 1 1 19 VAL HG22 H -1.539 1.162 0.373 1.00 . A A . 19 VAL HG22 1 1 17 6879 1 1 19 VAL HG23 H -1.427 1.294 2.127 1.00 . A A . 19 VAL HG23 1 1 17 6880 1 1 19 VAL N N -2.741 3.396 0.059 1.00 . A A . 19 VAL N 1 1 17 6881 1 1 19 VAL O O -0.810 5.505 -0.332 1.00 . A A . 19 VAL O 1 1 17 6882 1 1 20 PRO C C -4.109 5.771 2.337 1.00 . A A . 20 PRO C 1 1 17 6883 1 1 20 PRO CA C -2.663 6.059 2.711 1.00 . A A . 20 PRO CA 1 1 17 6884 1 1 20 PRO CB C -2.574 7.381 3.465 1.00 . A A . 20 PRO CB 1 1 17 6885 1 1 20 PRO CD C -1.490 7.700 1.365 1.00 . A A . 20 PRO CD 1 1 17 6886 1 1 20 PRO CG C -2.331 8.389 2.406 1.00 . A A . 20 PRO CG 1 1 17 6887 1 1 20 PRO HA H -2.286 5.260 3.330 1.00 . A A . 20 PRO HA 1 1 17 6888 1 1 20 PRO HB2 H -3.504 7.558 3.984 1.00 . A A . 20 PRO HB2 1 1 17 6889 1 1 20 PRO HB3 H -1.762 7.341 4.175 1.00 . A A . 20 PRO HB3 1 1 17 6890 1 1 20 PRO HD2 H -1.745 8.044 0.373 1.00 . A A . 20 PRO HD2 1 1 17 6891 1 1 20 PRO HD3 H -0.444 7.873 1.562 1.00 . A A . 20 PRO HD3 1 1 17 6892 1 1 20 PRO HG2 H -3.273 8.708 1.985 1.00 . A A . 20 PRO HG2 1 1 17 6893 1 1 20 PRO HG3 H -1.801 9.233 2.819 1.00 . A A . 20 PRO HG3 1 1 17 6894 1 1 20 PRO N N -1.825 6.274 1.534 1.00 . A A . 20 PRO N 1 1 17 6895 1 1 20 PRO O O -4.538 6.014 1.181 1.00 . A A . 20 PRO O 1 1 17 6896 1 1 21 ASP C C -7.041 6.064 2.643 1.00 . A A . 21 ASP C 1 1 17 6897 1 1 21 ASP CA C -6.232 4.877 3.103 1.00 . A A . 21 ASP CA 1 1 17 6898 1 1 21 ASP CB C -6.831 4.285 4.378 1.00 . A A . 21 ASP CB 1 1 17 6899 1 1 21 ASP CG C -8.305 3.949 4.240 1.00 . A A . 21 ASP CG 1 1 17 6900 1 1 21 ASP H H -4.416 5.100 4.167 1.00 . A A . 21 ASP H 1 1 17 6901 1 1 21 ASP HA H -6.261 4.126 2.327 1.00 . A A . 21 ASP HA 1 1 17 6902 1 1 21 ASP HB2 H -6.297 3.387 4.649 1.00 . A A . 21 ASP HB2 1 1 17 6903 1 1 21 ASP HB3 H -6.723 5.017 5.163 1.00 . A A . 21 ASP HB3 1 1 17 6904 1 1 21 ASP N N -4.840 5.245 3.294 1.00 . A A . 21 ASP N 1 1 17 6905 1 1 21 ASP O O -7.054 7.114 3.289 1.00 . A A . 21 ASP O 1 1 17 6906 1 1 21 ASP OD1 O -9.148 4.751 4.671 1.00 . A A . 21 ASP OD1 1 1 17 6907 1 1 21 ASP OD2 O -8.648 2.876 3.697 1.00 . A A . 21 ASP OD2 1 1 17 6908 1 1 22 ASN C C -7.693 8.083 0.368 1.00 . A A . 22 ASN C 1 1 17 6909 1 1 22 ASN CA C -8.480 6.877 0.866 1.00 . A A . 22 ASN CA 1 1 17 6910 1 1 22 ASN CB C -9.688 7.284 1.711 1.00 . A A . 22 ASN CB 1 1 17 6911 1 1 22 ASN CG C -10.727 6.176 1.892 1.00 . A A . 22 ASN CG 1 1 17 6912 1 1 22 ASN H H -7.593 5.018 1.084 1.00 . A A . 22 ASN H 1 1 17 6913 1 1 22 ASN HA H -8.853 6.392 -0.023 1.00 . A A . 22 ASN HA 1 1 17 6914 1 1 22 ASN HB2 H -9.361 7.620 2.684 1.00 . A A . 22 ASN HB2 1 1 17 6915 1 1 22 ASN HB3 H -10.149 8.099 1.180 1.00 . A A . 22 ASN HB3 1 1 17 6916 1 1 22 ASN HD21 H -10.350 5.378 0.089 1.00 . A A . 22 ASN HD21 1 1 17 6917 1 1 22 ASN HD22 H -11.568 4.615 1.022 1.00 . A A . 22 ASN HD22 1 1 17 6918 1 1 22 ASN N N -7.663 5.893 1.511 1.00 . A A . 22 ASN N 1 1 17 6919 1 1 22 ASN ND2 N -10.885 5.313 0.909 1.00 . A A . 22 ASN ND2 1 1 17 6920 1 1 22 ASN O O -8.192 9.206 0.386 1.00 . A A . 22 ASN O 1 1 17 6921 1 1 22 ASN OD1 O -11.403 6.105 2.920 1.00 . A A . 22 ASN OD1 1 1 17 6922 1 1 23 CYS C C -6.451 9.163 -2.129 1.00 . A A . 23 CYS C 1 1 17 6923 1 1 23 CYS CA C -5.724 8.924 -0.809 1.00 . A A . 23 CYS CA 1 1 17 6924 1 1 23 CYS CB C -4.245 8.554 -1.049 1.00 . A A . 23 CYS CB 1 1 17 6925 1 1 23 CYS H H -6.008 6.996 0.066 1.00 . A A . 23 CYS H 1 1 17 6926 1 1 23 CYS HA H -5.806 9.818 -0.212 1.00 . A A . 23 CYS HA 1 1 17 6927 1 1 23 CYS HB2 H -3.760 9.369 -1.566 1.00 . A A . 23 CYS HB2 1 1 17 6928 1 1 23 CYS HB3 H -3.767 8.409 -0.092 1.00 . A A . 23 CYS HB3 1 1 17 6929 1 1 23 CYS N N -6.453 7.857 -0.100 1.00 . A A . 23 CYS N 1 1 17 6930 1 1 23 CYS O O -6.503 10.270 -2.668 1.00 . A A . 23 CYS O 1 1 17 6931 1 1 23 CYS SG S -3.975 7.040 -2.044 1.00 . A A . 23 CYS SG 1 1 17 6932 1 1 24 ASP C C -9.327 8.100 -3.146 1.00 . A A . 24 ASP C 1 1 17 6933 1 1 24 ASP CA C -7.929 8.076 -3.719 1.00 . A A . 24 ASP CA 1 1 17 6934 1 1 24 ASP CB C -7.693 6.801 -4.557 1.00 . A A . 24 ASP CB 1 1 17 6935 1 1 24 ASP CG C -8.642 6.639 -5.737 1.00 . A A . 24 ASP CG 1 1 17 6936 1 1 24 ASP H H -6.908 7.273 -2.089 1.00 . A A . 24 ASP H 1 1 17 6937 1 1 24 ASP HA H -7.757 8.960 -4.314 1.00 . A A . 24 ASP HA 1 1 17 6938 1 1 24 ASP HB2 H -6.685 6.823 -4.944 1.00 . A A . 24 ASP HB2 1 1 17 6939 1 1 24 ASP HB3 H -7.798 5.941 -3.913 1.00 . A A . 24 ASP HB3 1 1 17 6940 1 1 24 ASP N N -7.055 8.098 -2.589 1.00 . A A . 24 ASP N 1 1 17 6941 1 1 24 ASP O O -9.930 7.070 -2.895 1.00 . A A . 24 ASP O 1 1 17 6942 1 1 24 ASP OD1 O -8.442 7.291 -6.776 1.00 . A A . 24 ASP OD1 1 1 17 6943 1 1 24 ASP OD2 O -9.572 5.789 -5.666 1.00 . A A . 24 ASP OD2 1 1 17 6944 1 1 25 ALA C C -12.039 10.000 -3.149 1.00 . A A . 25 ALA C 1 1 17 6945 1 1 25 ALA CA C -11.045 9.469 -2.146 1.00 . A A . 25 ALA CA 1 1 17 6946 1 1 25 ALA CB C -10.936 10.418 -0.963 1.00 . A A . 25 ALA CB 1 1 17 6947 1 1 25 ALA H H -9.112 10.017 -2.868 1.00 . A A . 25 ALA H 1 1 17 6948 1 1 25 ALA HA H -11.392 8.514 -1.786 1.00 . A A . 25 ALA HA 1 1 17 6949 1 1 25 ALA HB1 H -10.609 11.387 -1.311 1.00 . A A . 25 ALA HB1 1 1 17 6950 1 1 25 ALA HB2 H -10.221 10.031 -0.254 1.00 . A A . 25 ALA HB2 1 1 17 6951 1 1 25 ALA HB3 H -11.901 10.516 -0.488 1.00 . A A . 25 ALA HB3 1 1 17 6952 1 1 25 ALA N N -9.738 9.269 -2.759 1.00 . A A . 25 ALA N 1 1 17 6953 1 1 25 ALA O O -13.251 9.972 -2.926 1.00 . A A . 25 ALA O 1 1 17 6954 1 1 26 SER C C -11.832 10.527 -6.623 1.00 . A A . 26 SER C 1 1 17 6955 1 1 26 SER CA C -12.329 11.016 -5.277 1.00 . A A . 26 SER CA 1 1 17 6956 1 1 26 SER CB C -12.296 12.550 -5.175 1.00 . A A . 26 SER CB 1 1 17 6957 1 1 26 SER H H -10.563 10.401 -4.373 1.00 . A A . 26 SER H 1 1 17 6958 1 1 26 SER HA H -13.345 10.680 -5.134 1.00 . A A . 26 SER HA 1 1 17 6959 1 1 26 SER HB2 H -12.776 12.977 -6.043 1.00 . A A . 26 SER HB2 1 1 17 6960 1 1 26 SER HB3 H -12.826 12.854 -4.285 1.00 . A A . 26 SER HB3 1 1 17 6961 1 1 26 SER HG H -10.681 13.276 -5.999 1.00 . A A . 26 SER HG 1 1 17 6962 1 1 26 SER N N -11.531 10.455 -4.240 1.00 . A A . 26 SER N 1 1 17 6963 1 1 26 SER O O -10.650 10.177 -6.766 1.00 . A A . 26 SER O 1 1 17 6964 1 1 26 SER OG O -10.952 13.043 -5.100 1.00 . A A . 26 SER OG 1 1 17 6965 1 1 27 ARG C C -11.697 11.167 -9.655 1.00 . A A . 27 ARG C 1 1 17 6966 1 1 27 ARG CA C -12.406 10.044 -8.914 1.00 . A A . 27 ARG CA 1 1 17 6967 1 1 27 ARG CB C -13.705 9.648 -9.615 1.00 . A A . 27 ARG CB 1 1 17 6968 1 1 27 ARG CD C -14.934 8.801 -11.597 1.00 . A A . 27 ARG CD 1 1 17 6969 1 1 27 ARG CG C -13.571 9.173 -11.043 1.00 . A A . 27 ARG CG 1 1 17 6970 1 1 27 ARG CZ C -17.167 9.806 -11.066 1.00 . A A . 27 ARG CZ 1 1 17 6971 1 1 27 ARG H H -13.645 10.736 -7.380 1.00 . A A . 27 ARG H 1 1 17 6972 1 1 27 ARG HA H -11.757 9.185 -8.862 1.00 . A A . 27 ARG HA 1 1 17 6973 1 1 27 ARG HB2 H -14.172 8.852 -9.055 1.00 . A A . 27 ARG HB2 1 1 17 6974 1 1 27 ARG HB3 H -14.367 10.501 -9.606 1.00 . A A . 27 ARG HB3 1 1 17 6975 1 1 27 ARG HD2 H -14.821 8.534 -12.637 1.00 . A A . 27 ARG HD2 1 1 17 6976 1 1 27 ARG HD3 H -15.313 7.955 -11.044 1.00 . A A . 27 ARG HD3 1 1 17 6977 1 1 27 ARG HE H -15.529 10.802 -11.740 1.00 . A A . 27 ARG HE 1 1 17 6978 1 1 27 ARG HG2 H -13.140 9.961 -11.641 1.00 . A A . 27 ARG HG2 1 1 17 6979 1 1 27 ARG HG3 H -12.934 8.302 -11.062 1.00 . A A . 27 ARG HG3 1 1 17 6980 1 1 27 ARG HH11 H -17.140 7.772 -10.785 1.00 . A A . 27 ARG HH11 1 1 17 6981 1 1 27 ARG HH12 H -18.618 8.521 -10.400 1.00 . A A . 27 ARG HH12 1 1 17 6982 1 1 27 ARG HH21 H -17.560 11.795 -11.216 1.00 . A A . 27 ARG HH21 1 1 17 6983 1 1 27 ARG HH22 H -18.876 10.858 -10.684 1.00 . A A . 27 ARG HH22 1 1 17 6984 1 1 27 ARG N N -12.720 10.473 -7.576 1.00 . A A . 27 ARG N 1 1 17 6985 1 1 27 ARG NE N -15.890 9.917 -11.487 1.00 . A A . 27 ARG NE 1 1 17 6986 1 1 27 ARG NH1 N -17.674 8.619 -10.732 1.00 . A A . 27 ARG NH1 1 1 17 6987 1 1 27 ARG NH2 N -17.919 10.886 -10.981 1.00 . A A . 27 ARG NH2 1 1 17 6988 1 1 27 ARG O O -12.332 12.109 -10.112 1.00 . A A . 27 ARG O 1 1 17 6989 1 1 28 GLY C C -8.946 11.620 -11.598 1.00 . A A . 28 GLY C 1 1 17 6990 1 1 28 GLY CA C -9.640 12.132 -10.375 1.00 . A A . 28 GLY CA 1 1 17 6991 1 1 28 GLY H H -9.911 10.334 -9.328 1.00 . A A . 28 GLY H 1 1 17 6992 1 1 28 GLY HA2 H -10.312 12.928 -10.659 1.00 . A A . 28 GLY HA2 1 1 17 6993 1 1 28 GLY HA3 H -8.899 12.520 -9.692 1.00 . A A . 28 GLY HA3 1 1 17 6994 1 1 28 GLY N N -10.391 11.098 -9.718 1.00 . A A . 28 GLY N 1 1 17 6995 1 1 28 GLY O O -8.656 10.419 -11.703 1.00 . A A . 28 GLY O 1 1 17 6996 1 1 29 THR C C -6.491 12.216 -13.520 1.00 . A A . 29 THR C 1 1 17 6997 1 1 29 THR CA C -8.002 12.118 -13.724 1.00 . A A . 29 THR CA 1 1 17 6998 1 1 29 THR CB C -8.463 12.976 -14.919 1.00 . A A . 29 THR CB 1 1 17 6999 1 1 29 THR CG2 C -7.899 12.435 -16.231 1.00 . A A . 29 THR CG2 1 1 17 7000 1 1 29 THR H H -8.908 13.441 -12.404 1.00 . A A . 29 THR H 1 1 17 7001 1 1 29 THR HA H -8.255 11.087 -13.919 1.00 . A A . 29 THR HA 1 1 17 7002 1 1 29 THR HB H -8.133 13.994 -14.771 1.00 . A A . 29 THR HB 1 1 17 7003 1 1 29 THR HG1 H -10.186 12.277 -14.326 1.00 . A A . 29 THR HG1 1 1 17 7004 1 1 29 THR HG21 H -8.244 11.422 -16.379 1.00 . A A . 29 THR HG21 1 1 17 7005 1 1 29 THR HG22 H -6.820 12.443 -16.188 1.00 . A A . 29 THR HG22 1 1 17 7006 1 1 29 THR HG23 H -8.233 13.054 -17.050 1.00 . A A . 29 THR HG23 1 1 17 7007 1 1 29 THR N N -8.673 12.494 -12.527 1.00 . A A . 29 THR N 1 1 17 7008 1 1 29 THR O O -5.851 13.200 -13.890 1.00 . A A . 29 THR O 1 1 17 7009 1 1 29 THR OG1 O -9.910 12.940 -14.978 1.00 . A A . 29 THR OG1 1 1 17 7010 1 1 30 ASN C C -4.279 9.677 -12.245 1.00 . A A . 30 ASN C 1 1 17 7011 1 1 30 ASN CA C -4.556 11.129 -12.562 1.00 . A A . 30 ASN CA 1 1 17 7012 1 1 30 ASN CB C -4.108 12.037 -11.374 1.00 . A A . 30 ASN CB 1 1 17 7013 1 1 30 ASN CG C -4.663 11.621 -10.011 1.00 . A A . 30 ASN CG 1 1 17 7014 1 1 30 ASN H H -6.552 10.536 -12.471 1.00 . A A . 30 ASN H 1 1 17 7015 1 1 30 ASN HA H -4.041 11.420 -13.465 1.00 . A A . 30 ASN HA 1 1 17 7016 1 1 30 ASN HB2 H -3.030 12.017 -11.310 1.00 . A A . 30 ASN HB2 1 1 17 7017 1 1 30 ASN HB3 H -4.423 13.049 -11.578 1.00 . A A . 30 ASN HB3 1 1 17 7018 1 1 30 ASN HD21 H -6.189 12.854 -10.214 1.00 . A A . 30 ASN HD21 1 1 17 7019 1 1 30 ASN HD22 H -6.128 11.954 -8.736 1.00 . A A . 30 ASN HD22 1 1 17 7020 1 1 30 ASN N N -5.966 11.240 -12.831 1.00 . A A . 30 ASN N 1 1 17 7021 1 1 30 ASN ND2 N -5.773 12.195 -9.617 1.00 . A A . 30 ASN ND2 1 1 17 7022 1 1 30 ASN O O -5.197 8.959 -11.829 1.00 . A A . 30 ASN O 1 1 17 7023 1 1 30 ASN OD1 O -4.067 10.814 -9.308 1.00 . A A . 30 ASN OD1 1 1 17 7024 1 1 31 PRO C C -2.316 7.706 -10.728 1.00 . A A . 31 PRO C 1 1 17 7025 1 1 31 PRO CA C -2.726 7.810 -12.190 1.00 . A A . 31 PRO CA 1 1 17 7026 1 1 31 PRO CB C -1.529 7.512 -13.118 1.00 . A A . 31 PRO CB 1 1 17 7027 1 1 31 PRO CD C -1.972 9.855 -13.182 1.00 . A A . 31 PRO CD 1 1 17 7028 1 1 31 PRO CG C -1.370 8.734 -13.967 1.00 . A A . 31 PRO CG 1 1 17 7029 1 1 31 PRO HA H -3.536 7.125 -12.391 1.00 . A A . 31 PRO HA 1 1 17 7030 1 1 31 PRO HB2 H -0.650 7.337 -12.516 1.00 . A A . 31 PRO HB2 1 1 17 7031 1 1 31 PRO HB3 H -1.739 6.638 -13.716 1.00 . A A . 31 PRO HB3 1 1 17 7032 1 1 31 PRO HD2 H -1.259 10.242 -12.469 1.00 . A A . 31 PRO HD2 1 1 17 7033 1 1 31 PRO HD3 H -2.323 10.631 -13.844 1.00 . A A . 31 PRO HD3 1 1 17 7034 1 1 31 PRO HG2 H -0.324 8.922 -14.155 1.00 . A A . 31 PRO HG2 1 1 17 7035 1 1 31 PRO HG3 H -1.899 8.604 -14.900 1.00 . A A . 31 PRO HG3 1 1 17 7036 1 1 31 PRO N N -3.082 9.173 -12.516 1.00 . A A . 31 PRO N 1 1 17 7037 1 1 31 PRO O O -3.163 7.360 -9.889 1.00 . A A . 31 PRO O 1 1 17 7038 1 1 31 PRO OXT O -1.141 8.016 -10.403 1.00 . A A . 31 PRO OXT 1 1 18 7039 1 1 1 ASP C C 4.531 15.660 0.003 1.00 . A A . 1 ASP C 1 1 18 7040 1 1 1 ASP CA C 5.217 16.988 -0.226 1.00 . A A . 1 ASP CA 1 1 18 7041 1 1 1 ASP CB C 6.563 16.769 -0.926 1.00 . A A . 1 ASP CB 1 1 18 7042 1 1 1 ASP CG C 6.439 15.970 -2.200 1.00 . A A . 1 ASP CG 1 1 18 7043 1 1 1 ASP H1 H 4.477 17.851 1.490 1.00 . A A . 1 ASP H1 1 1 18 7044 1 1 1 ASP H2 H 5.910 18.574 0.946 1.00 . A A . 1 ASP H2 1 1 18 7045 1 1 1 ASP H3 H 5.936 17.059 1.701 1.00 . A A . 1 ASP H3 1 1 18 7046 1 1 1 ASP HA H 4.585 17.602 -0.850 1.00 . A A . 1 ASP HA 1 1 18 7047 1 1 1 ASP HB2 H 6.998 17.726 -1.171 1.00 . A A . 1 ASP HB2 1 1 18 7048 1 1 1 ASP HB3 H 7.226 16.242 -0.256 1.00 . A A . 1 ASP HB3 1 1 18 7049 1 1 1 ASP N N 5.404 17.675 1.052 1.00 . A A . 1 ASP N 1 1 18 7050 1 1 1 ASP O O 5.023 14.829 0.760 1.00 . A A . 1 ASP O 1 1 18 7051 1 1 1 ASP OD1 O 6.752 14.765 -2.197 1.00 . A A . 1 ASP OD1 1 1 18 7052 1 1 1 ASP OD2 O 6.031 16.526 -3.237 1.00 . A A . 1 ASP OD2 1 1 18 7053 1 1 2 VAL C C 3.073 13.244 -1.539 1.00 . A A . 2 VAL C 1 1 18 7054 1 1 2 VAL CA C 2.652 14.242 -0.460 1.00 . A A . 2 VAL CA 1 1 18 7055 1 1 2 VAL CB C 1.101 14.467 -0.482 1.00 . A A . 2 VAL CB 1 1 18 7056 1 1 2 VAL CG1 C 0.608 14.989 -1.829 1.00 . A A . 2 VAL CG1 1 1 18 7057 1 1 2 VAL CG2 C 0.348 13.203 -0.075 1.00 . A A . 2 VAL CG2 1 1 18 7058 1 1 2 VAL H H 3.008 16.195 -1.160 1.00 . A A . 2 VAL H 1 1 18 7059 1 1 2 VAL HA H 2.929 13.834 0.500 1.00 . A A . 2 VAL HA 1 1 18 7060 1 1 2 VAL HB H 0.888 15.231 0.252 1.00 . A A . 2 VAL HB 1 1 18 7061 1 1 2 VAL HG11 H 1.104 15.918 -2.065 1.00 . A A . 2 VAL HG11 1 1 18 7062 1 1 2 VAL HG12 H -0.458 15.156 -1.783 1.00 . A A . 2 VAL HG12 1 1 18 7063 1 1 2 VAL HG13 H 0.824 14.260 -2.596 1.00 . A A . 2 VAL HG13 1 1 18 7064 1 1 2 VAL HG21 H 0.597 12.405 -0.760 1.00 . A A . 2 VAL HG21 1 1 18 7065 1 1 2 VAL HG22 H -0.715 13.386 -0.108 1.00 . A A . 2 VAL HG22 1 1 18 7066 1 1 2 VAL HG23 H 0.632 12.917 0.926 1.00 . A A . 2 VAL HG23 1 1 18 7067 1 1 2 VAL N N 3.382 15.475 -0.609 1.00 . A A . 2 VAL N 1 1 18 7068 1 1 2 VAL O O 3.310 13.622 -2.705 1.00 . A A . 2 VAL O 1 1 18 7069 1 1 3 SER C C 2.282 10.498 -2.763 1.00 . A A . 3 SER C 1 1 18 7070 1 1 3 SER CA C 3.554 10.946 -2.028 1.00 . A A . 3 SER CA 1 1 18 7071 1 1 3 SER CB C 4.158 9.784 -1.208 1.00 . A A . 3 SER CB 1 1 18 7072 1 1 3 SER H H 3.083 11.804 -0.195 1.00 . A A . 3 SER H 1 1 18 7073 1 1 3 SER HA H 4.288 11.301 -2.734 1.00 . A A . 3 SER HA 1 1 18 7074 1 1 3 SER HB2 H 5.057 10.126 -0.716 1.00 . A A . 3 SER HB2 1 1 18 7075 1 1 3 SER HB3 H 3.441 9.480 -0.461 1.00 . A A . 3 SER HB3 1 1 18 7076 1 1 3 SER HG H 4.001 7.919 -1.621 1.00 . A A . 3 SER HG 1 1 18 7077 1 1 3 SER N N 3.219 12.015 -1.143 1.00 . A A . 3 SER N 1 1 18 7078 1 1 3 SER O O 1.188 10.495 -2.165 1.00 . A A . 3 SER O 1 1 18 7079 1 1 3 SER OG O 4.490 8.656 -2.014 1.00 . A A . 3 SER OG 1 1 18 7080 1 1 4 PRO C C 0.733 8.398 -4.204 1.00 . A A . 4 PRO C 1 1 18 7081 1 1 4 PRO CA C 1.268 9.667 -4.847 1.00 . A A . 4 PRO CA 1 1 18 7082 1 1 4 PRO CB C 1.878 9.357 -6.210 1.00 . A A . 4 PRO CB 1 1 18 7083 1 1 4 PRO CD C 3.588 10.359 -4.906 1.00 . A A . 4 PRO CD 1 1 18 7084 1 1 4 PRO CG C 3.057 10.246 -6.300 1.00 . A A . 4 PRO CG 1 1 18 7085 1 1 4 PRO HA H 0.478 10.397 -4.943 1.00 . A A . 4 PRO HA 1 1 18 7086 1 1 4 PRO HB2 H 2.160 8.315 -6.253 1.00 . A A . 4 PRO HB2 1 1 18 7087 1 1 4 PRO HB3 H 1.157 9.577 -6.981 1.00 . A A . 4 PRO HB3 1 1 18 7088 1 1 4 PRO HD2 H 4.309 9.580 -4.706 1.00 . A A . 4 PRO HD2 1 1 18 7089 1 1 4 PRO HD3 H 4.026 11.333 -4.758 1.00 . A A . 4 PRO HD3 1 1 18 7090 1 1 4 PRO HG2 H 3.797 9.809 -6.953 1.00 . A A . 4 PRO HG2 1 1 18 7091 1 1 4 PRO HG3 H 2.757 11.216 -6.666 1.00 . A A . 4 PRO HG3 1 1 18 7092 1 1 4 PRO N N 2.386 10.193 -4.077 1.00 . A A . 4 PRO N 1 1 18 7093 1 1 4 PRO O O 1.506 7.481 -3.875 1.00 . A A . 4 PRO O 1 1 18 7094 1 1 5 CYS C C -0.983 5.928 -3.966 1.00 . A A . 5 CYS C 1 1 18 7095 1 1 5 CYS CA C -1.232 7.298 -3.346 1.00 . A A . 5 CYS CA 1 1 18 7096 1 1 5 CYS CB C -2.719 7.588 -3.291 1.00 . A A . 5 CYS CB 1 1 18 7097 1 1 5 CYS H H -1.099 9.075 -4.425 1.00 . A A . 5 CYS H 1 1 18 7098 1 1 5 CYS HA H -0.862 7.287 -2.332 1.00 . A A . 5 CYS HA 1 1 18 7099 1 1 5 CYS HB2 H -2.884 8.533 -2.797 1.00 . A A . 5 CYS HB2 1 1 18 7100 1 1 5 CYS HB3 H -3.093 7.644 -4.302 1.00 . A A . 5 CYS HB3 1 1 18 7101 1 1 5 CYS N N -0.554 8.356 -4.043 1.00 . A A . 5 CYS N 1 1 18 7102 1 1 5 CYS O O -1.212 5.702 -5.167 1.00 . A A . 5 CYS O 1 1 18 7103 1 1 5 CYS SG S -3.682 6.326 -2.414 1.00 . A A . 5 CYS SG 1 1 18 7104 1 1 6 PHE C C -1.468 2.857 -3.387 1.00 . A A . 6 PHE C 1 1 18 7105 1 1 6 PHE CA C -0.245 3.683 -3.563 1.00 . A A . 6 PHE CA 1 1 18 7106 1 1 6 PHE CB C 0.884 3.062 -2.755 1.00 . A A . 6 PHE CB 1 1 18 7107 1 1 6 PHE CD1 C 2.850 2.684 -4.170 1.00 . A A . 6 PHE CD1 1 1 18 7108 1 1 6 PHE CD2 C 2.886 4.546 -2.704 1.00 . A A . 6 PHE CD2 1 1 18 7109 1 1 6 PHE CE1 C 4.092 2.996 -4.627 1.00 . A A . 6 PHE CE1 1 1 18 7110 1 1 6 PHE CE2 C 4.143 4.877 -3.153 1.00 . A A . 6 PHE CE2 1 1 18 7111 1 1 6 PHE CG C 2.233 3.444 -3.215 1.00 . A A . 6 PHE CG 1 1 18 7112 1 1 6 PHE CZ C 4.754 4.099 -4.122 1.00 . A A . 6 PHE CZ 1 1 18 7113 1 1 6 PHE H H -0.312 5.303 -2.225 1.00 . A A . 6 PHE H 1 1 18 7114 1 1 6 PHE HA H 0.044 3.687 -4.603 1.00 . A A . 6 PHE HA 1 1 18 7115 1 1 6 PHE HB2 H 0.790 3.370 -1.724 1.00 . A A . 6 PHE HB2 1 1 18 7116 1 1 6 PHE HB3 H 0.801 1.985 -2.807 1.00 . A A . 6 PHE HB3 1 1 18 7117 1 1 6 PHE HD1 H 2.331 1.825 -4.565 1.00 . A A . 6 PHE HD1 1 1 18 7118 1 1 6 PHE HD2 H 2.404 5.149 -1.949 1.00 . A A . 6 PHE HD2 1 1 18 7119 1 1 6 PHE HE1 H 4.521 2.350 -5.379 1.00 . A A . 6 PHE HE1 1 1 18 7120 1 1 6 PHE HE2 H 4.645 5.742 -2.746 1.00 . A A . 6 PHE HE2 1 1 18 7121 1 1 6 PHE HZ H 5.740 4.352 -4.481 1.00 . A A . 6 PHE HZ 1 1 18 7122 1 1 6 PHE N N -0.492 5.034 -3.155 1.00 . A A . 6 PHE N 1 1 18 7123 1 1 6 PHE O O -1.908 2.653 -2.279 1.00 . A A . 6 PHE O 1 1 18 7124 1 1 7 CYS C C -2.813 0.251 -5.083 1.00 . A A . 7 CYS C 1 1 18 7125 1 1 7 CYS CA C -3.140 1.512 -4.350 1.00 . A A . 7 CYS CA 1 1 18 7126 1 1 7 CYS CB C -4.417 2.088 -4.911 1.00 . A A . 7 CYS CB 1 1 18 7127 1 1 7 CYS H H -1.712 2.664 -5.345 1.00 . A A . 7 CYS H 1 1 18 7128 1 1 7 CYS HA H -3.282 1.280 -3.306 1.00 . A A . 7 CYS HA 1 1 18 7129 1 1 7 CYS HB2 H -4.282 2.158 -5.974 1.00 . A A . 7 CYS HB2 1 1 18 7130 1 1 7 CYS HB3 H -5.204 1.370 -4.728 1.00 . A A . 7 CYS HB3 1 1 18 7131 1 1 7 CYS N N -2.034 2.406 -4.456 1.00 . A A . 7 CYS N 1 1 18 7132 1 1 7 CYS O O -2.389 0.270 -6.249 1.00 . A A . 7 CYS O 1 1 18 7133 1 1 7 CYS SG S -4.947 3.693 -4.229 1.00 . A A . 7 CYS SG 1 1 18 7134 1 1 8 VAL C C -3.836 -3.047 -4.370 1.00 . A A . 8 VAL C 1 1 18 7135 1 1 8 VAL CA C -2.746 -2.148 -4.934 1.00 . A A . 8 VAL CA 1 1 18 7136 1 1 8 VAL CB C -1.313 -2.699 -4.530 1.00 . A A . 8 VAL CB 1 1 18 7137 1 1 8 VAL CG1 C -1.051 -4.096 -5.091 1.00 . A A . 8 VAL CG1 1 1 18 7138 1 1 8 VAL CG2 C -0.189 -1.759 -4.967 1.00 . A A . 8 VAL CG2 1 1 18 7139 1 1 8 VAL H H -3.374 -0.714 -3.512 1.00 . A A . 8 VAL H 1 1 18 7140 1 1 8 VAL HA H -2.840 -2.109 -6.009 1.00 . A A . 8 VAL HA 1 1 18 7141 1 1 8 VAL HB H -1.296 -2.766 -3.457 1.00 . A A . 8 VAL HB 1 1 18 7142 1 1 8 VAL HG11 H -0.069 -4.429 -4.788 1.00 . A A . 8 VAL HG11 1 1 18 7143 1 1 8 VAL HG12 H -1.104 -4.066 -6.169 1.00 . A A . 8 VAL HG12 1 1 18 7144 1 1 8 VAL HG13 H -1.796 -4.781 -4.714 1.00 . A A . 8 VAL HG13 1 1 18 7145 1 1 8 VAL HG21 H 0.763 -2.170 -4.665 1.00 . A A . 8 VAL HG21 1 1 18 7146 1 1 8 VAL HG22 H -0.327 -0.792 -4.504 1.00 . A A . 8 VAL HG22 1 1 18 7147 1 1 8 VAL HG23 H -0.209 -1.649 -6.041 1.00 . A A . 8 VAL HG23 1 1 18 7148 1 1 8 VAL N N -3.000 -0.822 -4.415 1.00 . A A . 8 VAL N 1 1 18 7149 1 1 8 VAL O O -4.378 -2.769 -3.293 1.00 . A A . 8 VAL O 1 1 18 7150 1 1 9 GLU C C -4.711 -5.889 -3.609 1.00 . A A . 9 GLU C 1 1 18 7151 1 1 9 GLU CA C -5.229 -4.964 -4.685 1.00 . A A . 9 GLU CA 1 1 18 7152 1 1 9 GLU CB C -5.731 -5.753 -5.878 1.00 . A A . 9 GLU CB 1 1 18 7153 1 1 9 GLU CD C -7.501 -7.224 -6.817 1.00 . A A . 9 GLU CD 1 1 18 7154 1 1 9 GLU CG C -6.967 -6.571 -5.589 1.00 . A A . 9 GLU CG 1 1 18 7155 1 1 9 GLU H H -3.677 -4.223 -5.912 1.00 . A A . 9 GLU H 1 1 18 7156 1 1 9 GLU HA H -6.052 -4.398 -4.279 1.00 . A A . 9 GLU HA 1 1 18 7157 1 1 9 GLU HB2 H -5.957 -5.069 -6.683 1.00 . A A . 9 GLU HB2 1 1 18 7158 1 1 9 GLU HB3 H -4.948 -6.427 -6.196 1.00 . A A . 9 GLU HB3 1 1 18 7159 1 1 9 GLU HG2 H -6.720 -7.337 -4.868 1.00 . A A . 9 GLU HG2 1 1 18 7160 1 1 9 GLU HG3 H -7.728 -5.924 -5.180 1.00 . A A . 9 GLU HG3 1 1 18 7161 1 1 9 GLU N N -4.183 -4.061 -5.089 1.00 . A A . 9 GLU N 1 1 18 7162 1 1 9 GLU O O -3.764 -6.641 -3.835 1.00 . A A . 9 GLU O 1 1 18 7163 1 1 9 GLU OE1 O -7.350 -8.443 -6.975 1.00 . A A . 9 GLU OE1 1 1 18 7164 1 1 9 GLU OE2 O -8.082 -6.521 -7.667 1.00 . A A . 9 GLU OE2 1 1 18 7165 1 1 10 ASP C C -5.879 -7.750 -1.156 1.00 . A A . 10 ASP C 1 1 18 7166 1 1 10 ASP CA C -4.879 -6.642 -1.340 1.00 . A A . 10 ASP CA 1 1 18 7167 1 1 10 ASP CB C -4.749 -5.837 -0.049 1.00 . A A . 10 ASP CB 1 1 18 7168 1 1 10 ASP CG C -4.203 -6.668 1.083 1.00 . A A . 10 ASP CG 1 1 18 7169 1 1 10 ASP H H -6.056 -5.203 -2.302 1.00 . A A . 10 ASP H 1 1 18 7170 1 1 10 ASP HA H -3.921 -7.074 -1.589 1.00 . A A . 10 ASP HA 1 1 18 7171 1 1 10 ASP HB2 H -4.083 -5.003 -0.211 1.00 . A A . 10 ASP HB2 1 1 18 7172 1 1 10 ASP HB3 H -5.722 -5.466 0.235 1.00 . A A . 10 ASP HB3 1 1 18 7173 1 1 10 ASP N N -5.296 -5.812 -2.441 1.00 . A A . 10 ASP N 1 1 18 7174 1 1 10 ASP O O -7.024 -7.511 -0.747 1.00 . A A . 10 ASP O 1 1 18 7175 1 1 10 ASP OD1 O -2.976 -6.694 1.280 1.00 . A A . 10 ASP OD1 1 1 18 7176 1 1 10 ASP OD2 O -4.984 -7.320 1.792 1.00 . A A . 10 ASP OD2 1 1 18 7177 1 1 11 GLU C C -6.716 -10.485 0.028 1.00 . A A . 11 GLU C 1 1 18 7178 1 1 11 GLU CA C -6.324 -10.112 -1.413 1.00 . A A . 11 GLU CA 1 1 18 7179 1 1 11 GLU CB C -5.642 -11.287 -2.108 1.00 . A A . 11 GLU CB 1 1 18 7180 1 1 11 GLU CD C -5.817 -13.651 -2.933 1.00 . A A . 11 GLU CD 1 1 18 7181 1 1 11 GLU CG C -6.530 -12.506 -2.285 1.00 . A A . 11 GLU CG 1 1 18 7182 1 1 11 GLU H H -4.529 -9.063 -1.750 1.00 . A A . 11 GLU H 1 1 18 7183 1 1 11 GLU HA H -7.223 -9.869 -1.959 1.00 . A A . 11 GLU HA 1 1 18 7184 1 1 11 GLU HB2 H -5.302 -10.954 -3.076 1.00 . A A . 11 GLU HB2 1 1 18 7185 1 1 11 GLU HB3 H -4.781 -11.575 -1.523 1.00 . A A . 11 GLU HB3 1 1 18 7186 1 1 11 GLU HG2 H -6.877 -12.824 -1.313 1.00 . A A . 11 GLU HG2 1 1 18 7187 1 1 11 GLU HG3 H -7.378 -12.232 -2.893 1.00 . A A . 11 GLU HG3 1 1 18 7188 1 1 11 GLU N N -5.459 -8.949 -1.457 1.00 . A A . 11 GLU N 1 1 18 7189 1 1 11 GLU O O -7.733 -11.133 0.249 1.00 . A A . 11 GLU O 1 1 18 7190 1 1 11 GLU OE1 O -5.021 -14.311 -2.264 1.00 . A A . 11 GLU OE1 1 1 18 7191 1 1 11 GLU OE2 O -6.058 -13.934 -4.140 1.00 . A A . 11 GLU OE2 1 1 18 7192 1 1 12 THR C C -7.403 -9.502 2.872 1.00 . A A . 12 THR C 1 1 18 7193 1 1 12 THR CA C -6.238 -10.368 2.375 1.00 . A A . 12 THR CA 1 1 18 7194 1 1 12 THR CB C -4.986 -10.153 3.253 1.00 . A A . 12 THR CB 1 1 18 7195 1 1 12 THR CG2 C -5.226 -10.607 4.690 1.00 . A A . 12 THR CG2 1 1 18 7196 1 1 12 THR H H -5.203 -9.435 0.785 1.00 . A A . 12 THR H 1 1 18 7197 1 1 12 THR HA H -6.531 -11.407 2.415 1.00 . A A . 12 THR HA 1 1 18 7198 1 1 12 THR HB H -4.737 -9.103 3.241 1.00 . A A . 12 THR HB 1 1 18 7199 1 1 12 THR HG1 H -3.590 -10.458 1.899 1.00 . A A . 12 THR HG1 1 1 18 7200 1 1 12 THR HG21 H -5.465 -11.659 4.701 1.00 . A A . 12 THR HG21 1 1 18 7201 1 1 12 THR HG22 H -6.048 -10.046 5.111 1.00 . A A . 12 THR HG22 1 1 18 7202 1 1 12 THR HG23 H -4.335 -10.433 5.276 1.00 . A A . 12 THR HG23 1 1 18 7203 1 1 12 THR N N -5.952 -10.035 0.994 1.00 . A A . 12 THR N 1 1 18 7204 1 1 12 THR O O -8.296 -9.966 3.583 1.00 . A A . 12 THR O 1 1 18 7205 1 1 12 THR OG1 O -3.892 -10.905 2.699 1.00 . A A . 12 THR OG1 1 1 18 7206 1 1 13 SER C C -9.641 -7.546 1.889 1.00 . A A . 13 SER C 1 1 18 7207 1 1 13 SER CA C -8.429 -7.328 2.792 1.00 . A A . 13 SER CA 1 1 18 7208 1 1 13 SER CB C -7.885 -5.924 2.630 1.00 . A A . 13 SER CB 1 1 18 7209 1 1 13 SER H H -6.622 -7.948 1.925 1.00 . A A . 13 SER H 1 1 18 7210 1 1 13 SER HA H -8.717 -7.473 3.818 1.00 . A A . 13 SER HA 1 1 18 7211 1 1 13 SER HB2 H -7.759 -5.734 1.577 1.00 . A A . 13 SER HB2 1 1 18 7212 1 1 13 SER HB3 H -8.577 -5.213 3.054 1.00 . A A . 13 SER HB3 1 1 18 7213 1 1 13 SER HG H -5.979 -6.297 2.764 1.00 . A A . 13 SER HG 1 1 18 7214 1 1 13 SER N N -7.394 -8.261 2.455 1.00 . A A . 13 SER N 1 1 18 7215 1 1 13 SER O O -10.780 -7.250 2.263 1.00 . A A . 13 SER O 1 1 18 7216 1 1 13 SER OG O -6.630 -5.808 3.292 1.00 . A A . 13 SER OG 1 1 18 7217 1 1 14 GLY C C -10.847 -7.083 -0.928 1.00 . A A . 14 GLY C 1 1 18 7218 1 1 14 GLY CA C -10.439 -8.349 -0.239 1.00 . A A . 14 GLY CA 1 1 18 7219 1 1 14 GLY H H -8.464 -8.331 0.482 1.00 . A A . 14 GLY H 1 1 18 7220 1 1 14 GLY HA2 H -10.089 -9.057 -0.975 1.00 . A A . 14 GLY HA2 1 1 18 7221 1 1 14 GLY HA3 H -11.296 -8.760 0.275 1.00 . A A . 14 GLY HA3 1 1 18 7222 1 1 14 GLY N N -9.388 -8.097 0.712 1.00 . A A . 14 GLY N 1 1 18 7223 1 1 14 GLY O O -12.013 -6.917 -1.324 1.00 . A A . 14 GLY O 1 1 18 7224 1 1 15 ALA C C -8.796 -4.253 -2.029 1.00 . A A . 15 ALA C 1 1 18 7225 1 1 15 ALA CA C -10.119 -4.893 -1.668 1.00 . A A . 15 ALA CA 1 1 18 7226 1 1 15 ALA CB C -10.894 -3.976 -0.721 1.00 . A A . 15 ALA CB 1 1 18 7227 1 1 15 ALA H H -8.989 -6.384 -0.733 1.00 . A A . 15 ALA H 1 1 18 7228 1 1 15 ALA HA H -10.708 -5.037 -2.562 1.00 . A A . 15 ALA HA 1 1 18 7229 1 1 15 ALA HB1 H -11.064 -3.024 -1.202 1.00 . A A . 15 ALA HB1 1 1 18 7230 1 1 15 ALA HB2 H -10.321 -3.826 0.181 1.00 . A A . 15 ALA HB2 1 1 18 7231 1 1 15 ALA HB3 H -11.842 -4.431 -0.475 1.00 . A A . 15 ALA HB3 1 1 18 7232 1 1 15 ALA N N -9.894 -6.176 -1.054 1.00 . A A . 15 ALA N 1 1 18 7233 1 1 15 ALA O O -7.738 -4.649 -1.526 1.00 . A A . 15 ALA O 1 1 18 7234 1 1 16 LYS C C -7.470 -1.497 -2.227 1.00 . A A . 16 LYS C 1 1 18 7235 1 1 16 LYS CA C -7.727 -2.526 -3.301 1.00 . A A . 16 LYS CA 1 1 18 7236 1 1 16 LYS CB C -7.992 -1.905 -4.675 1.00 . A A . 16 LYS CB 1 1 18 7237 1 1 16 LYS CD C -7.248 -0.649 -6.685 1.00 . A A . 16 LYS CD 1 1 18 7238 1 1 16 LYS CE C -6.164 0.176 -7.350 1.00 . A A . 16 LYS CE 1 1 18 7239 1 1 16 LYS CG C -6.855 -1.112 -5.286 1.00 . A A . 16 LYS CG 1 1 18 7240 1 1 16 LYS H H -9.706 -3.113 -3.359 1.00 . A A . 16 LYS H 1 1 18 7241 1 1 16 LYS HA H -6.847 -3.137 -3.334 1.00 . A A . 16 LYS HA 1 1 18 7242 1 1 16 LYS HB2 H -8.245 -2.696 -5.364 1.00 . A A . 16 LYS HB2 1 1 18 7243 1 1 16 LYS HB3 H -8.846 -1.251 -4.581 1.00 . A A . 16 LYS HB3 1 1 18 7244 1 1 16 LYS HD2 H -7.441 -1.517 -7.297 1.00 . A A . 16 LYS HD2 1 1 18 7245 1 1 16 LYS HD3 H -8.148 -0.057 -6.614 1.00 . A A . 16 LYS HD3 1 1 18 7246 1 1 16 LYS HE2 H -6.009 1.071 -6.767 1.00 . A A . 16 LYS HE2 1 1 18 7247 1 1 16 LYS HE3 H -5.249 -0.396 -7.377 1.00 . A A . 16 LYS HE3 1 1 18 7248 1 1 16 LYS HG2 H -6.648 -0.258 -4.660 1.00 . A A . 16 LYS HG2 1 1 18 7249 1 1 16 LYS HG3 H -5.979 -1.739 -5.353 1.00 . A A . 16 LYS HG3 1 1 18 7250 1 1 16 LYS HZ1 H -5.811 1.177 -9.152 1.00 . A A . 16 LYS HZ1 1 1 18 7251 1 1 16 LYS HZ2 H -7.439 1.085 -8.736 1.00 . A A . 16 LYS HZ2 1 1 18 7252 1 1 16 LYS HZ3 H -6.644 -0.277 -9.325 1.00 . A A . 16 LYS HZ3 1 1 18 7253 1 1 16 LYS N N -8.856 -3.306 -2.916 1.00 . A A . 16 LYS N 1 1 18 7254 1 1 16 LYS NZ N -6.538 0.567 -8.726 1.00 . A A . 16 LYS NZ 1 1 18 7255 1 1 16 LYS O O -8.272 -0.574 -2.017 1.00 . A A . 16 LYS O 1 1 18 7256 1 1 17 THR C C -5.136 0.255 -0.937 1.00 . A A . 17 THR C 1 1 18 7257 1 1 17 THR CA C -6.039 -0.853 -0.438 1.00 . A A . 17 THR CA 1 1 18 7258 1 1 17 THR CB C -5.348 -1.688 0.698 1.00 . A A . 17 THR CB 1 1 18 7259 1 1 17 THR CG2 C -3.973 -2.204 0.269 1.00 . A A . 17 THR CG2 1 1 18 7260 1 1 17 THR H H -5.749 -2.375 -1.816 1.00 . A A . 17 THR H 1 1 18 7261 1 1 17 THR HA H -6.945 -0.413 -0.051 1.00 . A A . 17 THR HA 1 1 18 7262 1 1 17 THR HB H -5.984 -2.533 0.919 1.00 . A A . 17 THR HB 1 1 18 7263 1 1 17 THR HG1 H -5.743 -1.340 2.569 1.00 . A A . 17 THR HG1 1 1 18 7264 1 1 17 THR HG21 H -3.540 -2.786 1.069 1.00 . A A . 17 THR HG21 1 1 18 7265 1 1 17 THR HG22 H -3.330 -1.363 0.049 1.00 . A A . 17 THR HG22 1 1 18 7266 1 1 17 THR HG23 H -4.075 -2.817 -0.613 1.00 . A A . 17 THR HG23 1 1 18 7267 1 1 17 THR N N -6.384 -1.677 -1.541 1.00 . A A . 17 THR N 1 1 18 7268 1 1 17 THR O O -4.446 0.094 -1.969 1.00 . A A . 17 THR O 1 1 18 7269 1 1 17 THR OG1 O -5.209 -0.906 1.893 1.00 . A A . 17 THR OG1 1 1 18 7270 1 1 18 CYS C C -3.573 2.983 0.493 1.00 . A A . 18 CYS C 1 1 18 7271 1 1 18 CYS CA C -4.370 2.475 -0.664 1.00 . A A . 18 CYS CA 1 1 18 7272 1 1 18 CYS CB C -5.202 3.605 -1.221 1.00 . A A . 18 CYS CB 1 1 18 7273 1 1 18 CYS H H -5.750 1.456 0.512 1.00 . A A . 18 CYS H 1 1 18 7274 1 1 18 CYS HA H -3.692 2.144 -1.436 1.00 . A A . 18 CYS HA 1 1 18 7275 1 1 18 CYS HB2 H -5.839 3.981 -0.440 1.00 . A A . 18 CYS HB2 1 1 18 7276 1 1 18 CYS HB3 H -4.524 4.402 -1.492 1.00 . A A . 18 CYS HB3 1 1 18 7277 1 1 18 CYS N N -5.176 1.370 -0.278 1.00 . A A . 18 CYS N 1 1 18 7278 1 1 18 CYS O O -3.874 2.693 1.653 1.00 . A A . 18 CYS O 1 1 18 7279 1 1 18 CYS SG S -6.187 3.194 -2.697 1.00 . A A . 18 CYS SG 1 1 18 7280 1 1 19 VAL C C -1.536 5.802 0.641 1.00 . A A . 19 VAL C 1 1 18 7281 1 1 19 VAL CA C -1.708 4.370 1.119 1.00 . A A . 19 VAL CA 1 1 18 7282 1 1 19 VAL CB C -0.301 3.715 1.216 1.00 . A A . 19 VAL CB 1 1 18 7283 1 1 19 VAL CG1 C 0.515 4.377 2.315 1.00 . A A . 19 VAL CG1 1 1 18 7284 1 1 19 VAL CG2 C -0.387 2.215 1.448 1.00 . A A . 19 VAL CG2 1 1 18 7285 1 1 19 VAL H H -2.400 3.834 -0.791 1.00 . A A . 19 VAL H 1 1 18 7286 1 1 19 VAL HA H -2.193 4.353 2.083 1.00 . A A . 19 VAL HA 1 1 18 7287 1 1 19 VAL HB H 0.208 3.894 0.280 1.00 . A A . 19 VAL HB 1 1 18 7288 1 1 19 VAL HG11 H 1.478 3.897 2.383 1.00 . A A . 19 VAL HG11 1 1 18 7289 1 1 19 VAL HG12 H -0.004 4.278 3.257 1.00 . A A . 19 VAL HG12 1 1 18 7290 1 1 19 VAL HG13 H 0.649 5.424 2.084 1.00 . A A . 19 VAL HG13 1 1 18 7291 1 1 19 VAL HG21 H 0.608 1.802 1.514 1.00 . A A . 19 VAL HG21 1 1 18 7292 1 1 19 VAL HG22 H -0.918 1.752 0.628 1.00 . A A . 19 VAL HG22 1 1 18 7293 1 1 19 VAL HG23 H -0.918 2.028 2.370 1.00 . A A . 19 VAL HG23 1 1 18 7294 1 1 19 VAL N N -2.565 3.719 0.171 1.00 . A A . 19 VAL N 1 1 18 7295 1 1 19 VAL O O -0.923 6.024 -0.412 1.00 . A A . 19 VAL O 1 1 18 7296 1 1 20 PRO C C -4.244 5.919 2.329 1.00 . A A . 20 PRO C 1 1 18 7297 1 1 20 PRO CA C -2.886 6.574 2.585 1.00 . A A . 20 PRO CA 1 1 18 7298 1 1 20 PRO CB C -3.093 7.980 3.117 1.00 . A A . 20 PRO CB 1 1 18 7299 1 1 20 PRO CD C -2.017 8.213 1.004 1.00 . A A . 20 PRO CD 1 1 18 7300 1 1 20 PRO CG C -3.017 8.851 1.919 1.00 . A A . 20 PRO CG 1 1 18 7301 1 1 20 PRO HA H -2.333 5.993 3.307 1.00 . A A . 20 PRO HA 1 1 18 7302 1 1 20 PRO HB2 H -4.067 8.026 3.581 1.00 . A A . 20 PRO HB2 1 1 18 7303 1 1 20 PRO HB3 H -2.329 8.215 3.841 1.00 . A A . 20 PRO HB3 1 1 18 7304 1 1 20 PRO HD2 H -2.292 8.373 -0.029 1.00 . A A . 20 PRO HD2 1 1 18 7305 1 1 20 PRO HD3 H -1.026 8.596 1.194 1.00 . A A . 20 PRO HD3 1 1 18 7306 1 1 20 PRO HG2 H -3.987 8.895 1.447 1.00 . A A . 20 PRO HG2 1 1 18 7307 1 1 20 PRO HG3 H -2.700 9.844 2.195 1.00 . A A . 20 PRO HG3 1 1 18 7308 1 1 20 PRO N N -2.104 6.790 1.350 1.00 . A A . 20 PRO N 1 1 18 7309 1 1 20 PRO O O -4.762 5.943 1.190 1.00 . A A . 20 PRO O 1 1 18 7310 1 1 21 ASP C C -7.180 5.540 2.772 1.00 . A A . 21 ASP C 1 1 18 7311 1 1 21 ASP CA C -6.088 4.631 3.286 1.00 . A A . 21 ASP CA 1 1 18 7312 1 1 21 ASP CB C -6.501 4.036 4.630 1.00 . A A . 21 ASP CB 1 1 18 7313 1 1 21 ASP CG C -7.788 3.231 4.539 1.00 . A A . 21 ASP CG 1 1 18 7314 1 1 21 ASP H H -4.376 5.432 4.254 1.00 . A A . 21 ASP H 1 1 18 7315 1 1 21 ASP HA H -5.947 3.829 2.577 1.00 . A A . 21 ASP HA 1 1 18 7316 1 1 21 ASP HB2 H -5.714 3.391 4.988 1.00 . A A . 21 ASP HB2 1 1 18 7317 1 1 21 ASP HB3 H -6.651 4.840 5.335 1.00 . A A . 21 ASP HB3 1 1 18 7318 1 1 21 ASP N N -4.817 5.351 3.382 1.00 . A A . 21 ASP N 1 1 18 7319 1 1 21 ASP O O -7.432 6.614 3.351 1.00 . A A . 21 ASP O 1 1 18 7320 1 1 21 ASP OD1 O -7.726 2.012 4.234 1.00 . A A . 21 ASP OD1 1 1 18 7321 1 1 21 ASP OD2 O -8.888 3.793 4.771 1.00 . A A . 21 ASP OD2 1 1 18 7322 1 1 22 ASN C C -8.415 7.288 0.692 1.00 . A A . 22 ASN C 1 1 18 7323 1 1 22 ASN CA C -8.843 5.860 0.996 1.00 . A A . 22 ASN CA 1 1 18 7324 1 1 22 ASN CB C -10.183 5.821 1.738 1.00 . A A . 22 ASN CB 1 1 18 7325 1 1 22 ASN CG C -10.866 4.465 1.690 1.00 . A A . 22 ASN CG 1 1 18 7326 1 1 22 ASN H H -7.590 4.223 1.342 1.00 . A A . 22 ASN H 1 1 18 7327 1 1 22 ASN HA H -8.971 5.367 0.043 1.00 . A A . 22 ASN HA 1 1 18 7328 1 1 22 ASN HB2 H -10.033 6.098 2.770 1.00 . A A . 22 ASN HB2 1 1 18 7329 1 1 22 ASN HB3 H -10.819 6.544 1.260 1.00 . A A . 22 ASN HB3 1 1 18 7330 1 1 22 ASN HD21 H -10.030 3.887 3.413 1.00 . A A . 22 ASN HD21 1 1 18 7331 1 1 22 ASN HD22 H -11.085 2.764 2.663 1.00 . A A . 22 ASN HD22 1 1 18 7332 1 1 22 ASN N N -7.809 5.114 1.686 1.00 . A A . 22 ASN N 1 1 18 7333 1 1 22 ASN ND2 N -10.634 3.635 2.672 1.00 . A A . 22 ASN ND2 1 1 18 7334 1 1 22 ASN O O -9.136 8.240 0.999 1.00 . A A . 22 ASN O 1 1 18 7335 1 1 22 ASN OD1 O -11.614 4.174 0.764 1.00 . A A . 22 ASN OD1 1 1 18 7336 1 1 23 CYS C C -7.582 9.504 -1.142 1.00 . A A . 23 CYS C 1 1 18 7337 1 1 23 CYS CA C -6.630 8.694 -0.290 1.00 . A A . 23 CYS CA 1 1 18 7338 1 1 23 CYS CB C -5.346 8.418 -1.046 1.00 . A A . 23 CYS CB 1 1 18 7339 1 1 23 CYS H H -6.641 6.622 0.032 1.00 . A A . 23 CYS H 1 1 18 7340 1 1 23 CYS HA H -6.394 9.271 0.583 1.00 . A A . 23 CYS HA 1 1 18 7341 1 1 23 CYS HB2 H -5.025 9.315 -1.552 1.00 . A A . 23 CYS HB2 1 1 18 7342 1 1 23 CYS HB3 H -4.581 8.093 -0.357 1.00 . A A . 23 CYS HB3 1 1 18 7343 1 1 23 CYS N N -7.212 7.415 0.134 1.00 . A A . 23 CYS N 1 1 18 7344 1 1 23 CYS O O -7.793 10.689 -0.919 1.00 . A A . 23 CYS O 1 1 18 7345 1 1 23 CYS SG S -5.529 7.119 -2.309 1.00 . A A . 23 CYS SG 1 1 18 7346 1 1 24 ASP C C -10.495 9.333 -2.410 1.00 . A A . 24 ASP C 1 1 18 7347 1 1 24 ASP CA C -9.113 9.481 -2.955 1.00 . A A . 24 ASP CA 1 1 18 7348 1 1 24 ASP CB C -9.026 8.963 -4.399 1.00 . A A . 24 ASP CB 1 1 18 7349 1 1 24 ASP CG C -7.836 9.500 -5.163 1.00 . A A . 24 ASP CG 1 1 18 7350 1 1 24 ASP H H -7.952 7.908 -2.138 1.00 . A A . 24 ASP H 1 1 18 7351 1 1 24 ASP HA H -8.876 10.535 -2.953 1.00 . A A . 24 ASP HA 1 1 18 7352 1 1 24 ASP HB2 H -8.951 7.885 -4.381 1.00 . A A . 24 ASP HB2 1 1 18 7353 1 1 24 ASP HB3 H -9.927 9.241 -4.924 1.00 . A A . 24 ASP HB3 1 1 18 7354 1 1 24 ASP N N -8.172 8.856 -2.079 1.00 . A A . 24 ASP N 1 1 18 7355 1 1 24 ASP O O -11.230 8.411 -2.758 1.00 . A A . 24 ASP O 1 1 18 7356 1 1 24 ASP OD1 O -6.751 8.881 -5.154 1.00 . A A . 24 ASP OD1 1 1 18 7357 1 1 24 ASP OD2 O -7.970 10.544 -5.817 1.00 . A A . 24 ASP OD2 1 1 18 7358 1 1 25 ALA C C -12.716 11.583 -1.238 1.00 . A A . 25 ALA C 1 1 18 7359 1 1 25 ALA CA C -12.102 10.250 -0.865 1.00 . A A . 25 ALA CA 1 1 18 7360 1 1 25 ALA CB C -12.046 10.066 0.641 1.00 . A A . 25 ALA CB 1 1 18 7361 1 1 25 ALA H H -10.029 10.686 -1.094 1.00 . A A . 25 ALA H 1 1 18 7362 1 1 25 ALA HA H -12.703 9.467 -1.300 1.00 . A A . 25 ALA HA 1 1 18 7363 1 1 25 ALA HB1 H -13.044 10.127 1.049 1.00 . A A . 25 ALA HB1 1 1 18 7364 1 1 25 ALA HB2 H -11.427 10.833 1.081 1.00 . A A . 25 ALA HB2 1 1 18 7365 1 1 25 ALA HB3 H -11.626 9.097 0.867 1.00 . A A . 25 ALA HB3 1 1 18 7366 1 1 25 ALA N N -10.779 10.157 -1.447 1.00 . A A . 25 ALA N 1 1 18 7367 1 1 25 ALA O O -13.936 11.775 -1.173 1.00 . A A . 25 ALA O 1 1 18 7368 1 1 26 SER C C -11.513 13.956 -3.434 1.00 . A A . 26 SER C 1 1 18 7369 1 1 26 SER CA C -12.207 13.780 -2.096 1.00 . A A . 26 SER CA 1 1 18 7370 1 1 26 SER CB C -11.725 14.835 -1.110 1.00 . A A . 26 SER CB 1 1 18 7371 1 1 26 SER H H -10.910 12.251 -1.569 1.00 . A A . 26 SER H 1 1 18 7372 1 1 26 SER HA H -13.279 13.843 -2.216 1.00 . A A . 26 SER HA 1 1 18 7373 1 1 26 SER HB2 H -10.648 14.798 -1.045 1.00 . A A . 26 SER HB2 1 1 18 7374 1 1 26 SER HB3 H -12.035 15.810 -1.454 1.00 . A A . 26 SER HB3 1 1 18 7375 1 1 26 SER HG H -13.198 14.877 0.124 1.00 . A A . 26 SER HG 1 1 18 7376 1 1 26 SER N N -11.860 12.479 -1.617 1.00 . A A . 26 SER N 1 1 18 7377 1 1 26 SER O O -10.368 13.503 -3.589 1.00 . A A . 26 SER O 1 1 18 7378 1 1 26 SER OG O -12.270 14.611 0.182 1.00 . A A . 26 SER OG 1 1 18 7379 1 1 27 ARG C C -11.549 13.386 -6.477 1.00 . A A . 27 ARG C 1 1 18 7380 1 1 27 ARG CA C -11.725 14.740 -5.794 1.00 . A A . 27 ARG CA 1 1 18 7381 1 1 27 ARG CB C -10.429 15.563 -5.823 1.00 . A A . 27 ARG CB 1 1 18 7382 1 1 27 ARG CD C -9.283 17.724 -5.284 1.00 . A A . 27 ARG CD 1 1 18 7383 1 1 27 ARG CG C -10.593 16.970 -5.300 1.00 . A A . 27 ARG CG 1 1 18 7384 1 1 27 ARG CZ C -8.446 19.861 -4.320 1.00 . A A . 27 ARG CZ 1 1 18 7385 1 1 27 ARG H H -13.127 14.862 -4.202 1.00 . A A . 27 ARG H 1 1 18 7386 1 1 27 ARG HA H -12.503 15.268 -6.326 1.00 . A A . 27 ARG HA 1 1 18 7387 1 1 27 ARG HB2 H -9.702 15.067 -5.198 1.00 . A A . 27 ARG HB2 1 1 18 7388 1 1 27 ARG HB3 H -10.065 15.609 -6.838 1.00 . A A . 27 ARG HB3 1 1 18 7389 1 1 27 ARG HD2 H -8.569 17.175 -4.688 1.00 . A A . 27 ARG HD2 1 1 18 7390 1 1 27 ARG HD3 H -8.914 17.814 -6.295 1.00 . A A . 27 ARG HD3 1 1 18 7391 1 1 27 ARG HE H -10.381 19.364 -4.629 1.00 . A A . 27 ARG HE 1 1 18 7392 1 1 27 ARG HG2 H -11.288 17.497 -5.937 1.00 . A A . 27 ARG HG2 1 1 18 7393 1 1 27 ARG HG3 H -10.989 16.925 -4.297 1.00 . A A . 27 ARG HG3 1 1 18 7394 1 1 27 ARG HH11 H -6.915 18.603 -4.892 1.00 . A A . 27 ARG HH11 1 1 18 7395 1 1 27 ARG HH12 H -6.410 20.051 -4.181 1.00 . A A . 27 ARG HH12 1 1 18 7396 1 1 27 ARG HH21 H -9.650 21.385 -3.650 1.00 . A A . 27 ARG HH21 1 1 18 7397 1 1 27 ARG HH22 H -7.992 21.669 -3.472 1.00 . A A . 27 ARG HH22 1 1 18 7398 1 1 27 ARG N N -12.220 14.547 -4.410 1.00 . A A . 27 ARG N 1 1 18 7399 1 1 27 ARG NE N -9.447 19.069 -4.718 1.00 . A A . 27 ARG NE 1 1 18 7400 1 1 27 ARG NH1 N -7.179 19.478 -4.477 1.00 . A A . 27 ARG NH1 1 1 18 7401 1 1 27 ARG NH2 N -8.714 21.043 -3.779 1.00 . A A . 27 ARG NH2 1 1 18 7402 1 1 27 ARG O O -10.857 13.249 -7.491 1.00 . A A . 27 ARG O 1 1 18 7403 1 1 28 GLY C C -13.242 10.312 -5.618 1.00 . A A . 28 GLY C 1 1 18 7404 1 1 28 GLY CA C -12.209 11.074 -6.383 1.00 . A A . 28 GLY CA 1 1 18 7405 1 1 28 GLY H H -12.774 12.619 -5.131 1.00 . A A . 28 GLY H 1 1 18 7406 1 1 28 GLY HA2 H -12.438 11.057 -7.437 1.00 . A A . 28 GLY HA2 1 1 18 7407 1 1 28 GLY HA3 H -11.240 10.631 -6.206 1.00 . A A . 28 GLY HA3 1 1 18 7408 1 1 28 GLY N N -12.222 12.416 -5.918 1.00 . A A . 28 GLY N 1 1 18 7409 1 1 28 GLY O O -13.354 10.481 -4.399 1.00 . A A . 28 GLY O 1 1 18 7410 1 1 29 THR C C -14.694 7.368 -5.377 1.00 . A A . 29 THR C 1 1 18 7411 1 1 29 THR CA C -15.081 8.812 -5.665 1.00 . A A . 29 THR CA 1 1 18 7412 1 1 29 THR CB C -16.361 8.887 -6.516 1.00 . A A . 29 THR CB 1 1 18 7413 1 1 29 THR CG2 C -17.017 10.253 -6.383 1.00 . A A . 29 THR CG2 1 1 18 7414 1 1 29 THR H H -13.878 9.409 -7.258 1.00 . A A . 29 THR H 1 1 18 7415 1 1 29 THR HA H -15.273 9.314 -4.730 1.00 . A A . 29 THR HA 1 1 18 7416 1 1 29 THR HB H -17.047 8.126 -6.173 1.00 . A A . 29 THR HB 1 1 18 7417 1 1 29 THR HG1 H -15.302 8.008 -7.930 1.00 . A A . 29 THR HG1 1 1 18 7418 1 1 29 THR HG21 H -17.908 10.284 -6.991 1.00 . A A . 29 THR HG21 1 1 18 7419 1 1 29 THR HG22 H -16.328 11.017 -6.713 1.00 . A A . 29 THR HG22 1 1 18 7420 1 1 29 THR HG23 H -17.281 10.430 -5.351 1.00 . A A . 29 THR HG23 1 1 18 7421 1 1 29 THR N N -14.018 9.533 -6.294 1.00 . A A . 29 THR N 1 1 18 7422 1 1 29 THR O O -14.490 6.578 -6.298 1.00 . A A . 29 THR O 1 1 18 7423 1 1 29 THR OG1 O -16.037 8.641 -7.905 1.00 . A A . 29 THR OG1 1 1 18 7424 1 1 30 ASN C C -15.038 5.234 -2.439 1.00 . A A . 30 ASN C 1 1 18 7425 1 1 30 ASN CA C -14.224 5.694 -3.663 1.00 . A A . 30 ASN CA 1 1 18 7426 1 1 30 ASN CB C -12.692 5.508 -3.449 1.00 . A A . 30 ASN CB 1 1 18 7427 1 1 30 ASN CG C -11.921 5.250 -4.735 1.00 . A A . 30 ASN CG 1 1 18 7428 1 1 30 ASN H H -14.785 7.725 -3.433 1.00 . A A . 30 ASN H 1 1 18 7429 1 1 30 ASN HA H -14.530 5.051 -4.475 1.00 . A A . 30 ASN HA 1 1 18 7430 1 1 30 ASN HB2 H -12.278 6.401 -3.009 1.00 . A A . 30 ASN HB2 1 1 18 7431 1 1 30 ASN HB3 H -12.529 4.675 -2.781 1.00 . A A . 30 ASN HB3 1 1 18 7432 1 1 30 ASN HD21 H -10.431 6.360 -4.087 1.00 . A A . 30 ASN HD21 1 1 18 7433 1 1 30 ASN HD22 H -10.222 5.681 -5.659 1.00 . A A . 30 ASN HD22 1 1 18 7434 1 1 30 ASN N N -14.585 7.040 -4.107 1.00 . A A . 30 ASN N 1 1 18 7435 1 1 30 ASN ND2 N -10.742 5.811 -4.838 1.00 . A A . 30 ASN ND2 1 1 18 7436 1 1 30 ASN O O -15.771 4.249 -2.552 1.00 . A A . 30 ASN O 1 1 18 7437 1 1 30 ASN OD1 O -12.409 4.579 -5.652 1.00 . A A . 30 ASN OD1 1 1 18 7438 1 1 31 PRO C C -17.107 6.073 -0.040 1.00 . A A . 31 PRO C 1 1 18 7439 1 1 31 PRO CA C -15.696 5.482 -0.083 1.00 . A A . 31 PRO CA 1 1 18 7440 1 1 31 PRO CB C -14.839 6.018 1.088 1.00 . A A . 31 PRO CB 1 1 18 7441 1 1 31 PRO CD C -14.216 7.134 -0.957 1.00 . A A . 31 PRO CD 1 1 18 7442 1 1 31 PRO CG C -13.785 6.889 0.459 1.00 . A A . 31 PRO CG 1 1 18 7443 1 1 31 PRO HA H -15.751 4.405 -0.031 1.00 . A A . 31 PRO HA 1 1 18 7444 1 1 31 PRO HB2 H -15.466 6.582 1.760 1.00 . A A . 31 PRO HB2 1 1 18 7445 1 1 31 PRO HB3 H -14.396 5.188 1.620 1.00 . A A . 31 PRO HB3 1 1 18 7446 1 1 31 PRO HD2 H -14.848 8.008 -1.009 1.00 . A A . 31 PRO HD2 1 1 18 7447 1 1 31 PRO HD3 H -13.363 7.241 -1.609 1.00 . A A . 31 PRO HD3 1 1 18 7448 1 1 31 PRO HG2 H -13.712 7.824 0.994 1.00 . A A . 31 PRO HG2 1 1 18 7449 1 1 31 PRO HG3 H -12.834 6.376 0.476 1.00 . A A . 31 PRO HG3 1 1 18 7450 1 1 31 PRO N N -14.968 5.917 -1.260 1.00 . A A . 31 PRO N 1 1 18 7451 1 1 31 PRO O O -17.324 7.102 0.639 1.00 . A A . 31 PRO O 1 1 18 7452 1 1 31 PRO OXT O -18.009 5.532 -0.717 1.00 . A A . 31 PRO OXT 1 1 19 7453 1 1 1 ASP C C 1.182 12.169 4.612 1.00 . A A . 1 ASP C 1 1 19 7454 1 1 1 ASP CA C 1.646 12.117 6.044 1.00 . A A . 1 ASP CA 1 1 19 7455 1 1 1 ASP CB C 1.971 10.675 6.426 1.00 . A A . 1 ASP CB 1 1 19 7456 1 1 1 ASP CG C 3.017 10.066 5.531 1.00 . A A . 1 ASP CG 1 1 19 7457 1 1 1 ASP H1 H 0.865 12.618 7.912 1.00 . A A . 1 ASP H1 1 1 19 7458 1 1 1 ASP H2 H -0.291 12.187 6.726 1.00 . A A . 1 ASP H2 1 1 19 7459 1 1 1 ASP H3 H 0.465 13.663 6.647 1.00 . A A . 1 ASP H3 1 1 19 7460 1 1 1 ASP HA H 2.535 12.723 6.144 1.00 . A A . 1 ASP HA 1 1 19 7461 1 1 1 ASP HB2 H 2.337 10.651 7.442 1.00 . A A . 1 ASP HB2 1 1 19 7462 1 1 1 ASP HB3 H 1.072 10.080 6.358 1.00 . A A . 1 ASP HB3 1 1 19 7463 1 1 1 ASP N N 0.612 12.666 6.907 1.00 . A A . 1 ASP N 1 1 19 7464 1 1 1 ASP O O 0.267 11.440 4.222 1.00 . A A . 1 ASP O 1 1 19 7465 1 1 1 ASP OD1 O 4.220 10.164 5.847 1.00 . A A . 1 ASP OD1 1 1 19 7466 1 1 1 ASP OD2 O 2.669 9.466 4.508 1.00 . A A . 1 ASP OD2 1 1 19 7467 1 1 2 VAL C C 2.390 12.418 1.548 1.00 . A A . 2 VAL C 1 1 19 7468 1 1 2 VAL CA C 1.394 13.150 2.460 1.00 . A A . 2 VAL CA 1 1 19 7469 1 1 2 VAL CB C 1.117 14.634 2.014 1.00 . A A . 2 VAL CB 1 1 19 7470 1 1 2 VAL CG1 C 2.320 15.553 2.236 1.00 . A A . 2 VAL CG1 1 1 19 7471 1 1 2 VAL CG2 C 0.632 14.699 0.566 1.00 . A A . 2 VAL CG2 1 1 19 7472 1 1 2 VAL H H 2.471 13.622 4.192 1.00 . A A . 2 VAL H 1 1 19 7473 1 1 2 VAL HA H 0.468 12.597 2.383 1.00 . A A . 2 VAL HA 1 1 19 7474 1 1 2 VAL HB H 0.324 15.005 2.646 1.00 . A A . 2 VAL HB 1 1 19 7475 1 1 2 VAL HG11 H 2.079 16.553 1.905 1.00 . A A . 2 VAL HG11 1 1 19 7476 1 1 2 VAL HG12 H 3.163 15.182 1.672 1.00 . A A . 2 VAL HG12 1 1 19 7477 1 1 2 VAL HG13 H 2.572 15.572 3.286 1.00 . A A . 2 VAL HG13 1 1 19 7478 1 1 2 VAL HG21 H 0.452 15.727 0.291 1.00 . A A . 2 VAL HG21 1 1 19 7479 1 1 2 VAL HG22 H -0.283 14.134 0.466 1.00 . A A . 2 VAL HG22 1 1 19 7480 1 1 2 VAL HG23 H 1.386 14.278 -0.083 1.00 . A A . 2 VAL HG23 1 1 19 7481 1 1 2 VAL N N 1.768 13.037 3.836 1.00 . A A . 2 VAL N 1 1 19 7482 1 1 2 VAL O O 3.391 12.975 1.074 1.00 . A A . 2 VAL O 1 1 19 7483 1 1 3 SER C C 2.138 10.132 -0.774 1.00 . A A . 3 SER C 1 1 19 7484 1 1 3 SER CA C 2.944 10.341 0.508 1.00 . A A . 3 SER CA 1 1 19 7485 1 1 3 SER CB C 3.284 9.003 1.170 1.00 . A A . 3 SER CB 1 1 19 7486 1 1 3 SER H H 1.448 10.733 1.925 1.00 . A A . 3 SER H 1 1 19 7487 1 1 3 SER HA H 3.855 10.877 0.284 1.00 . A A . 3 SER HA 1 1 19 7488 1 1 3 SER HB2 H 2.368 8.495 1.433 1.00 . A A . 3 SER HB2 1 1 19 7489 1 1 3 SER HB3 H 3.845 8.393 0.478 1.00 . A A . 3 SER HB3 1 1 19 7490 1 1 3 SER HG H 3.454 9.278 3.106 1.00 . A A . 3 SER HG 1 1 19 7491 1 1 3 SER N N 2.168 11.149 1.406 1.00 . A A . 3 SER N 1 1 19 7492 1 1 3 SER O O 0.914 10.339 -0.762 1.00 . A A . 3 SER O 1 1 19 7493 1 1 3 SER OG O 4.066 9.200 2.348 1.00 . A A . 3 SER OG 1 1 19 7494 1 1 4 PRO C C 1.063 8.412 -3.017 1.00 . A A . 4 PRO C 1 1 19 7495 1 1 4 PRO CA C 2.097 9.525 -3.160 1.00 . A A . 4 PRO CA 1 1 19 7496 1 1 4 PRO CB C 3.219 9.115 -4.116 1.00 . A A . 4 PRO CB 1 1 19 7497 1 1 4 PRO CD C 4.242 9.573 -2.041 1.00 . A A . 4 PRO CD 1 1 19 7498 1 1 4 PRO CG C 4.439 9.697 -3.514 1.00 . A A . 4 PRO CG 1 1 19 7499 1 1 4 PRO HA H 1.609 10.420 -3.519 1.00 . A A . 4 PRO HA 1 1 19 7500 1 1 4 PRO HB2 H 3.274 8.038 -4.148 1.00 . A A . 4 PRO HB2 1 1 19 7501 1 1 4 PRO HB3 H 3.032 9.510 -5.102 1.00 . A A . 4 PRO HB3 1 1 19 7502 1 1 4 PRO HD2 H 4.539 8.592 -1.701 1.00 . A A . 4 PRO HD2 1 1 19 7503 1 1 4 PRO HD3 H 4.787 10.341 -1.515 1.00 . A A . 4 PRO HD3 1 1 19 7504 1 1 4 PRO HG2 H 5.314 9.151 -3.833 1.00 . A A . 4 PRO HG2 1 1 19 7505 1 1 4 PRO HG3 H 4.525 10.738 -3.790 1.00 . A A . 4 PRO HG3 1 1 19 7506 1 1 4 PRO N N 2.789 9.768 -1.898 1.00 . A A . 4 PRO N 1 1 19 7507 1 1 4 PRO O O 1.270 7.436 -2.277 1.00 . A A . 4 PRO O 1 1 19 7508 1 1 5 CYS C C -0.785 6.348 -4.239 1.00 . A A . 5 CYS C 1 1 19 7509 1 1 5 CYS CA C -1.141 7.663 -3.615 1.00 . A A . 5 CYS CA 1 1 19 7510 1 1 5 CYS CB C -2.341 8.226 -4.352 1.00 . A A . 5 CYS CB 1 1 19 7511 1 1 5 CYS H H -0.095 9.322 -4.330 1.00 . A A . 5 CYS H 1 1 19 7512 1 1 5 CYS HA H -1.410 7.526 -2.578 1.00 . A A . 5 CYS HA 1 1 19 7513 1 1 5 CYS HB2 H -2.515 9.256 -4.080 1.00 . A A . 5 CYS HB2 1 1 19 7514 1 1 5 CYS HB3 H -2.091 8.151 -5.402 1.00 . A A . 5 CYS HB3 1 1 19 7515 1 1 5 CYS N N -0.032 8.572 -3.704 1.00 . A A . 5 CYS N 1 1 19 7516 1 1 5 CYS O O -0.425 6.286 -5.423 1.00 . A A . 5 CYS O 1 1 19 7517 1 1 5 CYS SG S -3.875 7.281 -4.098 1.00 . A A . 5 CYS SG 1 1 19 7518 1 1 6 PHE C C -1.641 3.090 -3.452 1.00 . A A . 6 PHE C 1 1 19 7519 1 1 6 PHE CA C -0.596 4.027 -4.007 1.00 . A A . 6 PHE CA 1 1 19 7520 1 1 6 PHE CB C 0.806 3.548 -3.666 1.00 . A A . 6 PHE CB 1 1 19 7521 1 1 6 PHE CD1 C 0.988 1.142 -4.337 1.00 . A A . 6 PHE CD1 1 1 19 7522 1 1 6 PHE CD2 C 1.994 2.803 -5.704 1.00 . A A . 6 PHE CD2 1 1 19 7523 1 1 6 PHE CE1 C 1.411 0.167 -5.203 1.00 . A A . 6 PHE CE1 1 1 19 7524 1 1 6 PHE CE2 C 2.423 1.841 -6.571 1.00 . A A . 6 PHE CE2 1 1 19 7525 1 1 6 PHE CG C 1.276 2.471 -4.579 1.00 . A A . 6 PHE CG 1 1 19 7526 1 1 6 PHE CZ C 2.132 0.513 -6.325 1.00 . A A . 6 PHE CZ 1 1 19 7527 1 1 6 PHE H H -1.001 5.417 -2.509 1.00 . A A . 6 PHE H 1 1 19 7528 1 1 6 PHE HA H -0.704 4.087 -5.079 1.00 . A A . 6 PHE HA 1 1 19 7529 1 1 6 PHE HB2 H 1.494 4.378 -3.740 1.00 . A A . 6 PHE HB2 1 1 19 7530 1 1 6 PHE HB3 H 0.816 3.165 -2.658 1.00 . A A . 6 PHE HB3 1 1 19 7531 1 1 6 PHE HD1 H 0.423 0.869 -3.459 1.00 . A A . 6 PHE HD1 1 1 19 7532 1 1 6 PHE HD2 H 2.224 3.839 -5.900 1.00 . A A . 6 PHE HD2 1 1 19 7533 1 1 6 PHE HE1 H 1.178 -0.867 -5.003 1.00 . A A . 6 PHE HE1 1 1 19 7534 1 1 6 PHE HE2 H 2.981 2.142 -7.444 1.00 . A A . 6 PHE HE2 1 1 19 7535 1 1 6 PHE HZ H 2.465 -0.252 -7.007 1.00 . A A . 6 PHE HZ 1 1 19 7536 1 1 6 PHE N N -0.828 5.315 -3.471 1.00 . A A . 6 PHE N 1 1 19 7537 1 1 6 PHE O O -1.828 3.017 -2.230 1.00 . A A . 6 PHE O 1 1 19 7538 1 1 7 CYS C C -2.969 0.087 -4.194 1.00 . A A . 7 CYS C 1 1 19 7539 1 1 7 CYS CA C -3.367 1.502 -3.885 1.00 . A A . 7 CYS CA 1 1 19 7540 1 1 7 CYS CB C -4.701 1.827 -4.544 1.00 . A A . 7 CYS CB 1 1 19 7541 1 1 7 CYS H H -2.141 2.480 -5.274 1.00 . A A . 7 CYS H 1 1 19 7542 1 1 7 CYS HA H -3.469 1.595 -2.817 1.00 . A A . 7 CYS HA 1 1 19 7543 1 1 7 CYS HB2 H -4.623 1.592 -5.592 1.00 . A A . 7 CYS HB2 1 1 19 7544 1 1 7 CYS HB3 H -5.460 1.193 -4.108 1.00 . A A . 7 CYS HB3 1 1 19 7545 1 1 7 CYS N N -2.334 2.405 -4.315 1.00 . A A . 7 CYS N 1 1 19 7546 1 1 7 CYS O O -2.352 -0.189 -5.229 1.00 . A A . 7 CYS O 1 1 19 7547 1 1 7 CYS SG S -5.242 3.570 -4.351 1.00 . A A . 7 CYS SG 1 1 19 7548 1 1 8 VAL C C -4.242 -2.972 -3.230 1.00 . A A . 8 VAL C 1 1 19 7549 1 1 8 VAL CA C -2.976 -2.191 -3.444 1.00 . A A . 8 VAL CA 1 1 19 7550 1 1 8 VAL CB C -1.929 -2.673 -2.392 1.00 . A A . 8 VAL CB 1 1 19 7551 1 1 8 VAL CG1 C -1.463 -4.098 -2.663 1.00 . A A . 8 VAL CG1 1 1 19 7552 1 1 8 VAL CG2 C -0.747 -1.727 -2.278 1.00 . A A . 8 VAL CG2 1 1 19 7553 1 1 8 VAL H H -3.802 -0.501 -2.510 1.00 . A A . 8 VAL H 1 1 19 7554 1 1 8 VAL HA H -2.595 -2.372 -4.437 1.00 . A A . 8 VAL HA 1 1 19 7555 1 1 8 VAL HB H -2.455 -2.693 -1.453 1.00 . A A . 8 VAL HB 1 1 19 7556 1 1 8 VAL HG11 H -2.309 -4.768 -2.636 1.00 . A A . 8 VAL HG11 1 1 19 7557 1 1 8 VAL HG12 H -0.745 -4.392 -1.912 1.00 . A A . 8 VAL HG12 1 1 19 7558 1 1 8 VAL HG13 H -1.002 -4.138 -3.639 1.00 . A A . 8 VAL HG13 1 1 19 7559 1 1 8 VAL HG21 H -0.058 -2.099 -1.534 1.00 . A A . 8 VAL HG21 1 1 19 7560 1 1 8 VAL HG22 H -1.101 -0.749 -1.989 1.00 . A A . 8 VAL HG22 1 1 19 7561 1 1 8 VAL HG23 H -0.246 -1.662 -3.232 1.00 . A A . 8 VAL HG23 1 1 19 7562 1 1 8 VAL N N -3.294 -0.794 -3.301 1.00 . A A . 8 VAL N 1 1 19 7563 1 1 8 VAL O O -5.072 -2.602 -2.390 1.00 . A A . 8 VAL O 1 1 19 7564 1 1 9 GLU C C -5.031 -6.047 -3.038 1.00 . A A . 9 GLU C 1 1 19 7565 1 1 9 GLU CA C -5.520 -4.868 -3.826 1.00 . A A . 9 GLU CA 1 1 19 7566 1 1 9 GLU CB C -6.035 -5.314 -5.197 1.00 . A A . 9 GLU CB 1 1 19 7567 1 1 9 GLU CD C -7.762 -6.587 -6.496 1.00 . A A . 9 GLU CD 1 1 19 7568 1 1 9 GLU CG C -7.323 -6.113 -5.142 1.00 . A A . 9 GLU CG 1 1 19 7569 1 1 9 GLU H H -3.687 -4.214 -4.611 1.00 . A A . 9 GLU H 1 1 19 7570 1 1 9 GLU HA H -6.316 -4.388 -3.275 1.00 . A A . 9 GLU HA 1 1 19 7571 1 1 9 GLU HB2 H -6.208 -4.438 -5.805 1.00 . A A . 9 GLU HB2 1 1 19 7572 1 1 9 GLU HB3 H -5.278 -5.923 -5.670 1.00 . A A . 9 GLU HB3 1 1 19 7573 1 1 9 GLU HG2 H -7.170 -6.975 -4.509 1.00 . A A . 9 GLU HG2 1 1 19 7574 1 1 9 GLU HG3 H -8.100 -5.493 -4.722 1.00 . A A . 9 GLU HG3 1 1 19 7575 1 1 9 GLU N N -4.401 -4.002 -3.974 1.00 . A A . 9 GLU N 1 1 19 7576 1 1 9 GLU O O -4.285 -6.875 -3.547 1.00 . A A . 9 GLU O 1 1 19 7577 1 1 9 GLU OE1 O -7.493 -7.758 -6.846 1.00 . A A . 9 GLU OE1 1 1 19 7578 1 1 9 GLU OE2 O -8.386 -5.821 -7.238 1.00 . A A . 9 GLU OE2 1 1 19 7579 1 1 10 ASP C C -5.818 -8.359 -1.238 1.00 . A A . 10 ASP C 1 1 19 7580 1 1 10 ASP CA C -4.974 -7.177 -0.934 1.00 . A A . 10 ASP CA 1 1 19 7581 1 1 10 ASP CB C -5.108 -6.819 0.548 1.00 . A A . 10 ASP CB 1 1 19 7582 1 1 10 ASP CG C -4.610 -7.922 1.456 1.00 . A A . 10 ASP CG 1 1 19 7583 1 1 10 ASP H H -5.998 -5.396 -1.447 1.00 . A A . 10 ASP H 1 1 19 7584 1 1 10 ASP HA H -3.943 -7.405 -1.161 1.00 . A A . 10 ASP HA 1 1 19 7585 1 1 10 ASP HB2 H -4.540 -5.927 0.759 1.00 . A A . 10 ASP HB2 1 1 19 7586 1 1 10 ASP HB3 H -6.149 -6.639 0.770 1.00 . A A . 10 ASP HB3 1 1 19 7587 1 1 10 ASP N N -5.400 -6.095 -1.793 1.00 . A A . 10 ASP N 1 1 19 7588 1 1 10 ASP O O -7.001 -8.356 -0.946 1.00 . A A . 10 ASP O 1 1 19 7589 1 1 10 ASP OD1 O -5.382 -8.821 1.793 1.00 . A A . 10 ASP OD1 1 1 19 7590 1 1 10 ASP OD2 O -3.425 -7.909 1.840 1.00 . A A . 10 ASP OD2 1 1 19 7591 1 1 11 GLU C C -6.364 -11.415 -1.082 1.00 . A A . 11 GLU C 1 1 19 7592 1 1 11 GLU CA C -5.975 -10.522 -2.269 1.00 . A A . 11 GLU CA 1 1 19 7593 1 1 11 GLU CB C -5.165 -11.318 -3.280 1.00 . A A . 11 GLU CB 1 1 19 7594 1 1 11 GLU CD C -7.052 -11.697 -4.882 1.00 . A A . 11 GLU CD 1 1 19 7595 1 1 11 GLU CG C -5.985 -12.343 -4.035 1.00 . A A . 11 GLU CG 1 1 19 7596 1 1 11 GLU H H -4.282 -9.269 -2.070 1.00 . A A . 11 GLU H 1 1 19 7597 1 1 11 GLU HA H -6.879 -10.182 -2.752 1.00 . A A . 11 GLU HA 1 1 19 7598 1 1 11 GLU HB2 H -4.728 -10.626 -3.983 1.00 . A A . 11 GLU HB2 1 1 19 7599 1 1 11 GLU HB3 H -4.370 -11.831 -2.759 1.00 . A A . 11 GLU HB3 1 1 19 7600 1 1 11 GLU HG2 H -5.333 -12.921 -4.672 1.00 . A A . 11 GLU HG2 1 1 19 7601 1 1 11 GLU HG3 H -6.464 -12.994 -3.320 1.00 . A A . 11 GLU HG3 1 1 19 7602 1 1 11 GLU N N -5.237 -9.349 -1.849 1.00 . A A . 11 GLU N 1 1 19 7603 1 1 11 GLU O O -7.212 -12.304 -1.204 1.00 . A A . 11 GLU O 1 1 19 7604 1 1 11 GLU OE1 O -8.120 -11.328 -4.360 1.00 . A A . 11 GLU OE1 1 1 19 7605 1 1 11 GLU OE2 O -6.832 -11.546 -6.105 1.00 . A A . 11 GLU OE2 1 1 19 7606 1 1 12 THR C C -7.414 -11.527 1.811 1.00 . A A . 12 THR C 1 1 19 7607 1 1 12 THR CA C -6.069 -11.978 1.208 1.00 . A A . 12 THR CA 1 1 19 7608 1 1 12 THR CB C -4.924 -11.868 2.223 1.00 . A A . 12 THR CB 1 1 19 7609 1 1 12 THR CG2 C -5.094 -12.863 3.365 1.00 . A A . 12 THR CG2 1 1 19 7610 1 1 12 THR H H -5.130 -10.445 0.137 1.00 . A A . 12 THR H 1 1 19 7611 1 1 12 THR HA H -6.163 -13.004 0.885 1.00 . A A . 12 THR HA 1 1 19 7612 1 1 12 THR HB H -4.891 -10.863 2.611 1.00 . A A . 12 THR HB 1 1 19 7613 1 1 12 THR HG1 H -3.791 -12.994 1.088 1.00 . A A . 12 THR HG1 1 1 19 7614 1 1 12 THR HG21 H -4.278 -12.753 4.064 1.00 . A A . 12 THR HG21 1 1 19 7615 1 1 12 THR HG22 H -5.093 -13.868 2.969 1.00 . A A . 12 THR HG22 1 1 19 7616 1 1 12 THR HG23 H -6.030 -12.677 3.870 1.00 . A A . 12 THR HG23 1 1 19 7617 1 1 12 THR N N -5.774 -11.183 0.052 1.00 . A A . 12 THR N 1 1 19 7618 1 1 12 THR O O -8.289 -12.345 2.076 1.00 . A A . 12 THR O 1 1 19 7619 1 1 12 THR OG1 O -3.691 -12.142 1.535 1.00 . A A . 12 THR OG1 1 1 19 7620 1 1 13 SER C C -9.765 -9.430 1.293 1.00 . A A . 13 SER C 1 1 19 7621 1 1 13 SER CA C -8.814 -9.666 2.456 1.00 . A A . 13 SER CA 1 1 19 7622 1 1 13 SER CB C -8.537 -8.349 3.206 1.00 . A A . 13 SER CB 1 1 19 7623 1 1 13 SER H H -6.821 -9.623 1.770 1.00 . A A . 13 SER H 1 1 19 7624 1 1 13 SER HA H -9.265 -10.365 3.138 1.00 . A A . 13 SER HA 1 1 19 7625 1 1 13 SER HB2 H -7.842 -8.526 4.012 1.00 . A A . 13 SER HB2 1 1 19 7626 1 1 13 SER HB3 H -8.110 -7.661 2.498 1.00 . A A . 13 SER HB3 1 1 19 7627 1 1 13 SER HG H -10.477 -8.175 3.304 1.00 . A A . 13 SER HG 1 1 19 7628 1 1 13 SER N N -7.580 -10.229 1.965 1.00 . A A . 13 SER N 1 1 19 7629 1 1 13 SER O O -10.949 -9.187 1.489 1.00 . A A . 13 SER O 1 1 19 7630 1 1 13 SER OG O -9.720 -7.776 3.757 1.00 . A A . 13 SER OG 1 1 19 7631 1 1 14 GLY C C -10.424 -7.811 -1.188 1.00 . A A . 14 GLY C 1 1 19 7632 1 1 14 GLY CA C -10.006 -9.255 -1.098 1.00 . A A . 14 GLY CA 1 1 19 7633 1 1 14 GLY H H -8.268 -9.660 0.004 1.00 . A A . 14 GLY H 1 1 19 7634 1 1 14 GLY HA2 H -9.415 -9.513 -1.964 1.00 . A A . 14 GLY HA2 1 1 19 7635 1 1 14 GLY HA3 H -10.890 -9.874 -1.070 1.00 . A A . 14 GLY HA3 1 1 19 7636 1 1 14 GLY N N -9.228 -9.484 0.091 1.00 . A A . 14 GLY N 1 1 19 7637 1 1 14 GLY O O -11.476 -7.495 -1.737 1.00 . A A . 14 GLY O 1 1 19 7638 1 1 15 ALA C C -8.809 -4.639 -1.036 1.00 . A A . 15 ALA C 1 1 19 7639 1 1 15 ALA CA C -9.952 -5.538 -0.601 1.00 . A A . 15 ALA CA 1 1 19 7640 1 1 15 ALA CB C -10.421 -5.175 0.794 1.00 . A A . 15 ALA CB 1 1 19 7641 1 1 15 ALA H H -8.731 -7.239 -0.325 1.00 . A A . 15 ALA H 1 1 19 7642 1 1 15 ALA HA H -10.784 -5.395 -1.274 1.00 . A A . 15 ALA HA 1 1 19 7643 1 1 15 ALA HB1 H -11.264 -5.796 1.060 1.00 . A A . 15 ALA HB1 1 1 19 7644 1 1 15 ALA HB2 H -10.711 -4.135 0.822 1.00 . A A . 15 ALA HB2 1 1 19 7645 1 1 15 ALA HB3 H -9.620 -5.347 1.496 1.00 . A A . 15 ALA HB3 1 1 19 7646 1 1 15 ALA N N -9.602 -6.933 -0.662 1.00 . A A . 15 ALA N 1 1 19 7647 1 1 15 ALA O O -7.649 -4.836 -0.653 1.00 . A A . 15 ALA O 1 1 19 7648 1 1 16 LYS C C -8.196 -1.525 -1.374 1.00 . A A . 16 LYS C 1 1 19 7649 1 1 16 LYS CA C -8.223 -2.704 -2.339 1.00 . A A . 16 LYS CA 1 1 19 7650 1 1 16 LYS CB C -8.666 -2.265 -3.732 1.00 . A A . 16 LYS CB 1 1 19 7651 1 1 16 LYS CD C -8.287 -0.858 -5.783 1.00 . A A . 16 LYS CD 1 1 19 7652 1 1 16 LYS CE C -8.666 -1.984 -6.752 1.00 . A A . 16 LYS CE 1 1 19 7653 1 1 16 LYS CG C -7.674 -1.391 -4.483 1.00 . A A . 16 LYS CG 1 1 19 7654 1 1 16 LYS H H -10.068 -3.621 -2.149 1.00 . A A . 16 LYS H 1 1 19 7655 1 1 16 LYS HA H -7.229 -3.111 -2.384 1.00 . A A . 16 LYS HA 1 1 19 7656 1 1 16 LYS HB2 H -8.838 -3.155 -4.319 1.00 . A A . 16 LYS HB2 1 1 19 7657 1 1 16 LYS HB3 H -9.598 -1.726 -3.642 1.00 . A A . 16 LYS HB3 1 1 19 7658 1 1 16 LYS HD2 H -9.180 -0.303 -5.540 1.00 . A A . 16 LYS HD2 1 1 19 7659 1 1 16 LYS HD3 H -7.578 -0.200 -6.264 1.00 . A A . 16 LYS HD3 1 1 19 7660 1 1 16 LYS HE2 H -7.767 -2.482 -7.084 1.00 . A A . 16 LYS HE2 1 1 19 7661 1 1 16 LYS HE3 H -9.292 -2.691 -6.232 1.00 . A A . 16 LYS HE3 1 1 19 7662 1 1 16 LYS HG2 H -7.372 -0.581 -3.836 1.00 . A A . 16 LYS HG2 1 1 19 7663 1 1 16 LYS HG3 H -6.807 -1.988 -4.721 1.00 . A A . 16 LYS HG3 1 1 19 7664 1 1 16 LYS HZ1 H -10.280 -1.011 -7.647 1.00 . A A . 16 LYS HZ1 1 1 19 7665 1 1 16 LYS HZ2 H -9.667 -2.235 -8.596 1.00 . A A . 16 LYS HZ2 1 1 19 7666 1 1 16 LYS HZ3 H -8.842 -0.777 -8.466 1.00 . A A . 16 LYS HZ3 1 1 19 7667 1 1 16 LYS N N -9.141 -3.682 -1.847 1.00 . A A . 16 LYS N 1 1 19 7668 1 1 16 LYS NZ N -9.396 -1.478 -7.938 1.00 . A A . 16 LYS NZ 1 1 19 7669 1 1 16 LYS O O -9.230 -0.949 -1.052 1.00 . A A . 16 LYS O 1 1 19 7670 1 1 17 THR C C -5.728 0.768 -0.484 1.00 . A A . 17 THR C 1 1 19 7671 1 1 17 THR CA C -6.831 -0.146 0.037 1.00 . A A . 17 THR CA 1 1 19 7672 1 1 17 THR CB C -6.465 -0.725 1.446 1.00 . A A . 17 THR CB 1 1 19 7673 1 1 17 THR CG2 C -5.176 -1.542 1.393 1.00 . A A . 17 THR CG2 1 1 19 7674 1 1 17 THR H H -6.237 -1.681 -1.249 1.00 . A A . 17 THR H 1 1 19 7675 1 1 17 THR HA H -7.749 0.418 0.109 1.00 . A A . 17 THR HA 1 1 19 7676 1 1 17 THR HB H -7.274 -1.370 1.759 1.00 . A A . 17 THR HB 1 1 19 7677 1 1 17 THR HG1 H -7.210 0.582 2.721 1.00 . A A . 17 THR HG1 1 1 19 7678 1 1 17 THR HG21 H -4.963 -1.940 2.374 1.00 . A A . 17 THR HG21 1 1 19 7679 1 1 17 THR HG22 H -4.361 -0.906 1.078 1.00 . A A . 17 THR HG22 1 1 19 7680 1 1 17 THR HG23 H -5.292 -2.354 0.691 1.00 . A A . 17 THR HG23 1 1 19 7681 1 1 17 THR N N -7.031 -1.202 -0.916 1.00 . A A . 17 THR N 1 1 19 7682 1 1 17 THR O O -4.886 0.330 -1.291 1.00 . A A . 17 THR O 1 1 19 7683 1 1 17 THR OG1 O -6.329 0.330 2.422 1.00 . A A . 17 THR OG1 1 1 19 7684 1 1 18 CYS C C -3.959 3.476 0.577 1.00 . A A . 18 CYS C 1 1 19 7685 1 1 18 CYS CA C -4.751 2.935 -0.569 1.00 . A A . 18 CYS CA 1 1 19 7686 1 1 18 CYS CB C -5.356 4.079 -1.350 1.00 . A A . 18 CYS CB 1 1 19 7687 1 1 18 CYS H H -6.435 2.337 0.523 1.00 . A A . 18 CYS H 1 1 19 7688 1 1 18 CYS HA H -4.081 2.396 -1.216 1.00 . A A . 18 CYS HA 1 1 19 7689 1 1 18 CYS HB2 H -5.883 4.706 -0.653 1.00 . A A . 18 CYS HB2 1 1 19 7690 1 1 18 CYS HB3 H -4.559 4.679 -1.764 1.00 . A A . 18 CYS HB3 1 1 19 7691 1 1 18 CYS N N -5.754 2.018 -0.110 1.00 . A A . 18 CYS N 1 1 19 7692 1 1 18 CYS O O -4.414 3.497 1.730 1.00 . A A . 18 CYS O 1 1 19 7693 1 1 18 CYS SG S -6.448 3.559 -2.720 1.00 . A A . 18 CYS SG 1 1 19 7694 1 1 19 VAL C C -1.351 5.761 0.558 1.00 . A A . 19 VAL C 1 1 19 7695 1 1 19 VAL CA C -1.871 4.473 1.193 1.00 . A A . 19 VAL CA 1 1 19 7696 1 1 19 VAL CB C -0.667 3.528 1.508 1.00 . A A . 19 VAL CB 1 1 19 7697 1 1 19 VAL CG1 C 0.217 4.123 2.588 1.00 . A A . 19 VAL CG1 1 1 19 7698 1 1 19 VAL CG2 C -1.129 2.131 1.918 1.00 . A A . 19 VAL CG2 1 1 19 7699 1 1 19 VAL H H -2.519 3.836 -0.683 1.00 . A A . 19 VAL H 1 1 19 7700 1 1 19 VAL HA H -2.414 4.696 2.099 1.00 . A A . 19 VAL HA 1 1 19 7701 1 1 19 VAL HB H -0.074 3.444 0.608 1.00 . A A . 19 VAL HB 1 1 19 7702 1 1 19 VAL HG11 H -0.353 4.236 3.498 1.00 . A A . 19 VAL HG11 1 1 19 7703 1 1 19 VAL HG12 H 0.561 5.095 2.263 1.00 . A A . 19 VAL HG12 1 1 19 7704 1 1 19 VAL HG13 H 1.063 3.477 2.766 1.00 . A A . 19 VAL HG13 1 1 19 7705 1 1 19 VAL HG21 H -0.265 1.508 2.093 1.00 . A A . 19 VAL HG21 1 1 19 7706 1 1 19 VAL HG22 H -1.732 1.702 1.131 1.00 . A A . 19 VAL HG22 1 1 19 7707 1 1 19 VAL HG23 H -1.714 2.192 2.824 1.00 . A A . 19 VAL HG23 1 1 19 7708 1 1 19 VAL N N -2.785 3.896 0.261 1.00 . A A . 19 VAL N 1 1 19 7709 1 1 19 VAL O O -0.774 5.717 -0.547 1.00 . A A . 19 VAL O 1 1 19 7710 1 1 20 PRO C C -3.939 6.799 2.120 1.00 . A A . 20 PRO C 1 1 19 7711 1 1 20 PRO CA C -2.439 7.040 2.390 1.00 . A A . 20 PRO CA 1 1 19 7712 1 1 20 PRO CB C -2.208 8.486 2.824 1.00 . A A . 20 PRO CB 1 1 19 7713 1 1 20 PRO CD C -1.135 8.233 0.715 1.00 . A A . 20 PRO CD 1 1 19 7714 1 1 20 PRO CG C -1.900 9.199 1.565 1.00 . A A . 20 PRO CG 1 1 19 7715 1 1 20 PRO HA H -2.097 6.366 3.161 1.00 . A A . 20 PRO HA 1 1 19 7716 1 1 20 PRO HB2 H -3.102 8.869 3.294 1.00 . A A . 20 PRO HB2 1 1 19 7717 1 1 20 PRO HB3 H -1.382 8.530 3.518 1.00 . A A . 20 PRO HB3 1 1 19 7718 1 1 20 PRO HD2 H -1.358 8.387 -0.331 1.00 . A A . 20 PRO HD2 1 1 19 7719 1 1 20 PRO HD3 H -0.074 8.329 0.893 1.00 . A A . 20 PRO HD3 1 1 19 7720 1 1 20 PRO HG2 H -2.825 9.468 1.078 1.00 . A A . 20 PRO HG2 1 1 19 7721 1 1 20 PRO HG3 H -1.319 10.086 1.757 1.00 . A A . 20 PRO HG3 1 1 19 7722 1 1 20 PRO N N -1.622 6.925 1.165 1.00 . A A . 20 PRO N 1 1 19 7723 1 1 20 PRO O O -4.392 6.785 0.959 1.00 . A A . 20 PRO O 1 1 19 7724 1 1 21 ASP C C -6.880 7.464 2.439 1.00 . A A . 21 ASP C 1 1 19 7725 1 1 21 ASP CA C -6.116 6.316 3.082 1.00 . A A . 21 ASP CA 1 1 19 7726 1 1 21 ASP CB C -6.693 5.997 4.463 1.00 . A A . 21 ASP CB 1 1 19 7727 1 1 21 ASP CG C -8.170 5.650 4.434 1.00 . A A . 21 ASP CG 1 1 19 7728 1 1 21 ASP H H -4.267 6.695 4.060 1.00 . A A . 21 ASP H 1 1 19 7729 1 1 21 ASP HA H -6.222 5.444 2.454 1.00 . A A . 21 ASP HA 1 1 19 7730 1 1 21 ASP HB2 H -6.157 5.164 4.892 1.00 . A A . 21 ASP HB2 1 1 19 7731 1 1 21 ASP HB3 H -6.562 6.865 5.092 1.00 . A A . 21 ASP HB3 1 1 19 7732 1 1 21 ASP N N -4.690 6.615 3.177 1.00 . A A . 21 ASP N 1 1 19 7733 1 1 21 ASP O O -6.705 8.637 2.824 1.00 . A A . 21 ASP O 1 1 19 7734 1 1 21 ASP OD1 O -8.535 4.597 3.862 1.00 . A A . 21 ASP OD1 1 1 19 7735 1 1 21 ASP OD2 O -8.983 6.381 5.046 1.00 . A A . 21 ASP OD2 1 1 19 7736 1 1 22 ASN C C -7.709 9.025 -0.180 1.00 . A A . 22 ASN C 1 1 19 7737 1 1 22 ASN CA C -8.502 8.053 0.681 1.00 . A A . 22 ASN CA 1 1 19 7738 1 1 22 ASN CB C -9.529 8.771 1.556 1.00 . A A . 22 ASN CB 1 1 19 7739 1 1 22 ASN CG C -10.759 7.926 1.860 1.00 . A A . 22 ASN CG 1 1 19 7740 1 1 22 ASN H H -7.775 6.185 1.180 1.00 . A A . 22 ASN H 1 1 19 7741 1 1 22 ASN HA H -9.050 7.436 -0.016 1.00 . A A . 22 ASN HA 1 1 19 7742 1 1 22 ASN HB2 H -9.069 9.079 2.483 1.00 . A A . 22 ASN HB2 1 1 19 7743 1 1 22 ASN HB3 H -9.832 9.634 0.992 1.00 . A A . 22 ASN HB3 1 1 19 7744 1 1 22 ASN HD21 H -11.745 8.735 0.348 1.00 . A A . 22 ASN HD21 1 1 19 7745 1 1 22 ASN HD22 H -12.591 7.541 1.262 1.00 . A A . 22 ASN HD22 1 1 19 7746 1 1 22 ASN N N -7.686 7.123 1.435 1.00 . A A . 22 ASN N 1 1 19 7747 1 1 22 ASN ND2 N -11.795 8.087 1.082 1.00 . A A . 22 ASN ND2 1 1 19 7748 1 1 22 ASN O O -8.218 10.082 -0.549 1.00 . A A . 22 ASN O 1 1 19 7749 1 1 22 ASN OD1 O -10.787 7.159 2.803 1.00 . A A . 22 ASN OD1 1 1 19 7750 1 1 23 CYS C C -6.376 9.440 -2.852 1.00 . A A . 23 CYS C 1 1 19 7751 1 1 23 CYS CA C -5.700 9.481 -1.489 1.00 . A A . 23 CYS CA 1 1 19 7752 1 1 23 CYS CB C -4.250 8.993 -1.592 1.00 . A A . 23 CYS CB 1 1 19 7753 1 1 23 CYS H H -6.031 7.868 -0.162 1.00 . A A . 23 CYS H 1 1 19 7754 1 1 23 CYS HA H -5.723 10.498 -1.138 1.00 . A A . 23 CYS HA 1 1 19 7755 1 1 23 CYS HB2 H -3.729 9.588 -2.326 1.00 . A A . 23 CYS HB2 1 1 19 7756 1 1 23 CYS HB3 H -3.770 9.114 -0.633 1.00 . A A . 23 CYS HB3 1 1 19 7757 1 1 23 CYS N N -6.470 8.661 -0.544 1.00 . A A . 23 CYS N 1 1 19 7758 1 1 23 CYS O O -6.380 10.411 -3.610 1.00 . A A . 23 CYS O 1 1 19 7759 1 1 23 CYS SG S -4.079 7.231 -2.079 1.00 . A A . 23 CYS SG 1 1 19 7760 1 1 24 ASP C C -9.146 8.065 -3.912 1.00 . A A . 24 ASP C 1 1 19 7761 1 1 24 ASP CA C -7.700 8.034 -4.311 1.00 . A A . 24 ASP CA 1 1 19 7762 1 1 24 ASP CB C -7.339 6.671 -4.914 1.00 . A A . 24 ASP CB 1 1 19 7763 1 1 24 ASP CG C -8.124 6.349 -6.167 1.00 . A A . 24 ASP CG 1 1 19 7764 1 1 24 ASP H H -6.861 7.606 -2.457 1.00 . A A . 24 ASP H 1 1 19 7765 1 1 24 ASP HA H -7.507 8.818 -5.029 1.00 . A A . 24 ASP HA 1 1 19 7766 1 1 24 ASP HB2 H -6.287 6.661 -5.161 1.00 . A A . 24 ASP HB2 1 1 19 7767 1 1 24 ASP HB3 H -7.534 5.903 -4.180 1.00 . A A . 24 ASP HB3 1 1 19 7768 1 1 24 ASP N N -6.934 8.302 -3.132 1.00 . A A . 24 ASP N 1 1 19 7769 1 1 24 ASP O O -9.704 7.058 -3.477 1.00 . A A . 24 ASP O 1 1 19 7770 1 1 24 ASP OD1 O -7.719 6.797 -7.265 1.00 . A A . 24 ASP OD1 1 1 19 7771 1 1 24 ASP OD2 O -9.152 5.624 -6.080 1.00 . A A . 24 ASP OD2 1 1 19 7772 1 1 25 ALA C C -11.902 10.065 -4.614 1.00 . A A . 25 ALA C 1 1 19 7773 1 1 25 ALA CA C -11.078 9.394 -3.523 1.00 . A A . 25 ALA CA 1 1 19 7774 1 1 25 ALA CB C -11.173 10.167 -2.219 1.00 . A A . 25 ALA CB 1 1 19 7775 1 1 25 ALA H H -9.116 9.986 -4.115 1.00 . A A . 25 ALA H 1 1 19 7776 1 1 25 ALA HA H -11.483 8.408 -3.349 1.00 . A A . 25 ALA HA 1 1 19 7777 1 1 25 ALA HB1 H -10.802 11.170 -2.366 1.00 . A A . 25 ALA HB1 1 1 19 7778 1 1 25 ALA HB2 H -10.582 9.673 -1.462 1.00 . A A . 25 ALA HB2 1 1 19 7779 1 1 25 ALA HB3 H -12.204 10.208 -1.901 1.00 . A A . 25 ALA HB3 1 1 19 7780 1 1 25 ALA N N -9.694 9.225 -3.903 1.00 . A A . 25 ALA N 1 1 19 7781 1 1 25 ALA O O -13.114 10.234 -4.467 1.00 . A A . 25 ALA O 1 1 19 7782 1 1 26 SER C C -12.566 10.081 -7.742 1.00 . A A . 26 SER C 1 1 19 7783 1 1 26 SER CA C -11.957 11.101 -6.779 1.00 . A A . 26 SER CA 1 1 19 7784 1 1 26 SER CB C -11.000 12.035 -7.517 1.00 . A A . 26 SER CB 1 1 19 7785 1 1 26 SER H H -10.308 10.248 -5.795 1.00 . A A . 26 SER H 1 1 19 7786 1 1 26 SER HA H -12.752 11.689 -6.348 1.00 . A A . 26 SER HA 1 1 19 7787 1 1 26 SER HB2 H -10.216 11.458 -7.983 1.00 . A A . 26 SER HB2 1 1 19 7788 1 1 26 SER HB3 H -11.544 12.580 -8.274 1.00 . A A . 26 SER HB3 1 1 19 7789 1 1 26 SER HG H -10.902 12.897 -5.781 1.00 . A A . 26 SER HG 1 1 19 7790 1 1 26 SER N N -11.265 10.438 -5.699 1.00 . A A . 26 SER N 1 1 19 7791 1 1 26 SER O O -11.843 9.289 -8.371 1.00 . A A . 26 SER O 1 1 19 7792 1 1 26 SER OG O -10.415 12.967 -6.615 1.00 . A A . 26 SER OG 1 1 19 7793 1 1 27 ARG C C -14.666 9.840 -10.107 1.00 . A A . 27 ARG C 1 1 19 7794 1 1 27 ARG CA C -14.570 9.193 -8.744 1.00 . A A . 27 ARG CA 1 1 19 7795 1 1 27 ARG CB C -15.984 8.787 -8.249 1.00 . A A . 27 ARG CB 1 1 19 7796 1 1 27 ARG CD C -15.781 8.855 -5.712 1.00 . A A . 27 ARG CD 1 1 19 7797 1 1 27 ARG CG C -16.039 7.989 -6.938 1.00 . A A . 27 ARG CG 1 1 19 7798 1 1 27 ARG CZ C -16.782 10.856 -4.603 1.00 . A A . 27 ARG CZ 1 1 19 7799 1 1 27 ARG H H -14.395 10.759 -7.340 1.00 . A A . 27 ARG H 1 1 19 7800 1 1 27 ARG HA H -13.953 8.311 -8.830 1.00 . A A . 27 ARG HA 1 1 19 7801 1 1 27 ARG HB2 H -16.564 9.686 -8.107 1.00 . A A . 27 ARG HB2 1 1 19 7802 1 1 27 ARG HB3 H -16.453 8.197 -9.023 1.00 . A A . 27 ARG HB3 1 1 19 7803 1 1 27 ARG HD2 H -15.754 8.221 -4.839 1.00 . A A . 27 ARG HD2 1 1 19 7804 1 1 27 ARG HD3 H -14.827 9.348 -5.828 1.00 . A A . 27 ARG HD3 1 1 19 7805 1 1 27 ARG HE H -17.613 9.774 -6.103 1.00 . A A . 27 ARG HE 1 1 19 7806 1 1 27 ARG HG2 H -17.016 7.542 -6.841 1.00 . A A . 27 ARG HG2 1 1 19 7807 1 1 27 ARG HG3 H -15.294 7.208 -6.980 1.00 . A A . 27 ARG HG3 1 1 19 7808 1 1 27 ARG HH11 H -14.871 10.453 -3.977 1.00 . A A . 27 ARG HH11 1 1 19 7809 1 1 27 ARG HH12 H -15.625 11.745 -3.173 1.00 . A A . 27 ARG HH12 1 1 19 7810 1 1 27 ARG HH21 H -18.655 11.599 -5.003 1.00 . A A . 27 ARG HH21 1 1 19 7811 1 1 27 ARG HH22 H -17.811 12.409 -3.762 1.00 . A A . 27 ARG HH22 1 1 19 7812 1 1 27 ARG N N -13.882 10.094 -7.849 1.00 . A A . 27 ARG N 1 1 19 7813 1 1 27 ARG NE N -16.826 9.879 -5.519 1.00 . A A . 27 ARG NE 1 1 19 7814 1 1 27 ARG NH1 N -15.691 11.029 -3.871 1.00 . A A . 27 ARG NH1 1 1 19 7815 1 1 27 ARG NH2 N -17.821 11.679 -4.448 1.00 . A A . 27 ARG NH2 1 1 19 7816 1 1 27 ARG O O -15.532 10.685 -10.349 1.00 . A A . 27 ARG O 1 1 19 7817 1 1 28 GLY C C -12.935 9.176 -13.188 1.00 . A A . 28 GLY C 1 1 19 7818 1 1 28 GLY CA C -13.719 10.057 -12.274 1.00 . A A . 28 GLY CA 1 1 19 7819 1 1 28 GLY H H -13.070 8.840 -10.709 1.00 . A A . 28 GLY H 1 1 19 7820 1 1 28 GLY HA2 H -14.729 10.160 -12.644 1.00 . A A . 28 GLY HA2 1 1 19 7821 1 1 28 GLY HA3 H -13.252 11.029 -12.238 1.00 . A A . 28 GLY HA3 1 1 19 7822 1 1 28 GLY N N -13.752 9.501 -10.959 1.00 . A A . 28 GLY N 1 1 19 7823 1 1 28 GLY O O -12.639 8.032 -12.840 1.00 . A A . 28 GLY O 1 1 19 7824 1 1 29 THR C C -10.310 9.055 -15.014 1.00 . A A . 29 THR C 1 1 19 7825 1 1 29 THR CA C -11.822 8.936 -15.294 1.00 . A A . 29 THR CA 1 1 19 7826 1 1 29 THR CB C -12.152 9.460 -16.708 1.00 . A A . 29 THR CB 1 1 19 7827 1 1 29 THR CG2 C -11.619 8.518 -17.783 1.00 . A A . 29 THR CG2 1 1 19 7828 1 1 29 THR H H -12.832 10.612 -14.539 1.00 . A A . 29 THR H 1 1 19 7829 1 1 29 THR HA H -12.120 7.901 -15.228 1.00 . A A . 29 THR HA 1 1 19 7830 1 1 29 THR HB H -11.713 10.440 -16.832 1.00 . A A . 29 THR HB 1 1 19 7831 1 1 29 THR HG1 H -13.843 10.459 -16.620 1.00 . A A . 29 THR HG1 1 1 19 7832 1 1 29 THR HG21 H -12.075 7.545 -17.666 1.00 . A A . 29 THR HG21 1 1 19 7833 1 1 29 THR HG22 H -10.548 8.427 -17.683 1.00 . A A . 29 THR HG22 1 1 19 7834 1 1 29 THR HG23 H -11.859 8.911 -18.760 1.00 . A A . 29 THR HG23 1 1 19 7835 1 1 29 THR N N -12.573 9.691 -14.321 1.00 . A A . 29 THR N 1 1 19 7836 1 1 29 THR O O -9.521 8.149 -15.328 1.00 . A A . 29 THR O 1 1 19 7837 1 1 29 THR OG1 O -13.587 9.554 -16.838 1.00 . A A . 29 THR OG1 1 1 19 7838 1 1 30 ASN C C -8.255 10.228 -12.613 1.00 . A A . 30 ASN C 1 1 19 7839 1 1 30 ASN CA C -8.524 10.418 -14.099 1.00 . A A . 30 ASN CA 1 1 19 7840 1 1 30 ASN CB C -8.113 11.841 -14.507 1.00 . A A . 30 ASN CB 1 1 19 7841 1 1 30 ASN CG C -7.993 12.063 -16.009 1.00 . A A . 30 ASN CG 1 1 19 7842 1 1 30 ASN H H -10.592 10.834 -14.182 1.00 . A A . 30 ASN H 1 1 19 7843 1 1 30 ASN HA H -7.931 9.717 -14.664 1.00 . A A . 30 ASN HA 1 1 19 7844 1 1 30 ASN HB2 H -8.842 12.540 -14.125 1.00 . A A . 30 ASN HB2 1 1 19 7845 1 1 30 ASN HB3 H -7.158 12.053 -14.053 1.00 . A A . 30 ASN HB3 1 1 19 7846 1 1 30 ASN HD21 H -6.640 13.475 -15.704 1.00 . A A . 30 ASN HD21 1 1 19 7847 1 1 30 ASN HD22 H -7.028 13.157 -17.353 1.00 . A A . 30 ASN HD22 1 1 19 7848 1 1 30 ASN N N -9.921 10.160 -14.417 1.00 . A A . 30 ASN N 1 1 19 7849 1 1 30 ASN ND2 N -7.144 12.986 -16.393 1.00 . A A . 30 ASN ND2 1 1 19 7850 1 1 30 ASN O O -8.934 10.844 -11.768 1.00 . A A . 30 ASN O 1 1 19 7851 1 1 30 ASN OD1 O -8.663 11.421 -16.817 1.00 . A A . 30 ASN OD1 1 1 19 7852 1 1 31 PRO C C -5.701 10.008 -10.486 1.00 . A A . 31 PRO C 1 1 19 7853 1 1 31 PRO CA C -6.914 9.144 -10.878 1.00 . A A . 31 PRO CA 1 1 19 7854 1 1 31 PRO CB C -6.554 7.657 -10.872 1.00 . A A . 31 PRO CB 1 1 19 7855 1 1 31 PRO CD C -6.532 8.484 -13.163 1.00 . A A . 31 PRO CD 1 1 19 7856 1 1 31 PRO CG C -6.072 7.352 -12.267 1.00 . A A . 31 PRO CG 1 1 19 7857 1 1 31 PRO HA H -7.732 9.329 -10.199 1.00 . A A . 31 PRO HA 1 1 19 7858 1 1 31 PRO HB2 H -5.783 7.475 -10.137 1.00 . A A . 31 PRO HB2 1 1 19 7859 1 1 31 PRO HB3 H -7.434 7.083 -10.631 1.00 . A A . 31 PRO HB3 1 1 19 7860 1 1 31 PRO HD2 H -5.685 9.005 -13.586 1.00 . A A . 31 PRO HD2 1 1 19 7861 1 1 31 PRO HD3 H -7.163 8.083 -13.943 1.00 . A A . 31 PRO HD3 1 1 19 7862 1 1 31 PRO HG2 H -4.994 7.292 -12.272 1.00 . A A . 31 PRO HG2 1 1 19 7863 1 1 31 PRO HG3 H -6.494 6.415 -12.600 1.00 . A A . 31 PRO HG3 1 1 19 7864 1 1 31 PRO N N -7.296 9.360 -12.257 1.00 . A A . 31 PRO N 1 1 19 7865 1 1 31 PRO O O -4.570 9.485 -10.367 1.00 . A A . 31 PRO O 1 1 19 7866 1 1 31 PRO OXT O -5.857 11.239 -10.346 1.00 . A A . 31 PRO OXT 1 1 20 7867 1 1 1 ASP C C 2.504 10.809 6.224 1.00 . A A . 1 ASP C 1 1 20 7868 1 1 1 ASP CA C 2.899 10.358 7.602 1.00 . A A . 1 ASP CA 1 1 20 7869 1 1 1 ASP CB C 3.421 8.917 7.538 1.00 . A A . 1 ASP CB 1 1 20 7870 1 1 1 ASP CG C 4.708 8.785 6.759 1.00 . A A . 1 ASP CG 1 1 20 7871 1 1 1 ASP H1 H 1.363 11.406 8.467 1.00 . A A . 1 ASP H1 1 1 20 7872 1 1 1 ASP H2 H 1.943 10.150 9.431 1.00 . A A . 1 ASP H2 1 1 20 7873 1 1 1 ASP H3 H 0.964 9.817 8.081 1.00 . A A . 1 ASP H3 1 1 20 7874 1 1 1 ASP HA H 3.666 11.009 7.995 1.00 . A A . 1 ASP HA 1 1 20 7875 1 1 1 ASP HB2 H 3.601 8.560 8.542 1.00 . A A . 1 ASP HB2 1 1 20 7876 1 1 1 ASP HB3 H 2.673 8.294 7.071 1.00 . A A . 1 ASP HB3 1 1 20 7877 1 1 1 ASP N N 1.717 10.429 8.458 1.00 . A A . 1 ASP N 1 1 20 7878 1 1 1 ASP O O 1.441 10.432 5.750 1.00 . A A . 1 ASP O 1 1 20 7879 1 1 1 ASP OD1 O 4.676 8.679 5.516 1.00 . A A . 1 ASP OD1 1 1 20 7880 1 1 1 ASP OD2 O 5.787 8.762 7.379 1.00 . A A . 1 ASP OD2 1 1 20 7881 1 1 2 VAL C C 3.529 11.027 3.270 1.00 . A A . 2 VAL C 1 1 20 7882 1 1 2 VAL CA C 3.036 12.085 4.248 1.00 . A A . 2 VAL CA 1 1 20 7883 1 1 2 VAL CB C 3.696 13.464 3.936 1.00 . A A . 2 VAL CB 1 1 20 7884 1 1 2 VAL CG1 C 3.329 13.949 2.542 1.00 . A A . 2 VAL CG1 1 1 20 7885 1 1 2 VAL CG2 C 3.296 14.502 4.979 1.00 . A A . 2 VAL CG2 1 1 20 7886 1 1 2 VAL H H 4.150 11.933 6.017 1.00 . A A . 2 VAL H 1 1 20 7887 1 1 2 VAL HA H 1.962 12.167 4.152 1.00 . A A . 2 VAL HA 1 1 20 7888 1 1 2 VAL HB H 4.768 13.342 3.972 1.00 . A A . 2 VAL HB 1 1 20 7889 1 1 2 VAL HG11 H 3.807 14.899 2.352 1.00 . A A . 2 VAL HG11 1 1 20 7890 1 1 2 VAL HG12 H 2.258 14.066 2.477 1.00 . A A . 2 VAL HG12 1 1 20 7891 1 1 2 VAL HG13 H 3.659 13.224 1.812 1.00 . A A . 2 VAL HG13 1 1 20 7892 1 1 2 VAL HG21 H 3.617 14.172 5.955 1.00 . A A . 2 VAL HG21 1 1 20 7893 1 1 2 VAL HG22 H 2.223 14.622 4.974 1.00 . A A . 2 VAL HG22 1 1 20 7894 1 1 2 VAL HG23 H 3.765 15.446 4.745 1.00 . A A . 2 VAL HG23 1 1 20 7895 1 1 2 VAL N N 3.318 11.630 5.593 1.00 . A A . 2 VAL N 1 1 20 7896 1 1 2 VAL O O 4.702 11.000 2.885 1.00 . A A . 2 VAL O 1 1 20 7897 1 1 3 SER C C 2.473 9.289 0.678 1.00 . A A . 3 SER C 1 1 20 7898 1 1 3 SER CA C 2.994 9.032 2.093 1.00 . A A . 3 SER CA 1 1 20 7899 1 1 3 SER CB C 2.339 7.779 2.654 1.00 . A A . 3 SER CB 1 1 20 7900 1 1 3 SER H H 1.746 10.203 3.284 1.00 . A A . 3 SER H 1 1 20 7901 1 1 3 SER HA H 4.063 8.894 2.093 1.00 . A A . 3 SER HA 1 1 20 7902 1 1 3 SER HB2 H 1.273 7.838 2.491 1.00 . A A . 3 SER HB2 1 1 20 7903 1 1 3 SER HB3 H 2.734 6.911 2.150 1.00 . A A . 3 SER HB3 1 1 20 7904 1 1 3 SER HG H 3.327 8.228 4.321 1.00 . A A . 3 SER HG 1 1 20 7905 1 1 3 SER N N 2.663 10.129 2.942 1.00 . A A . 3 SER N 1 1 20 7906 1 1 3 SER O O 1.413 9.908 0.513 1.00 . A A . 3 SER O 1 1 20 7907 1 1 3 SER OG O 2.589 7.649 4.064 1.00 . A A . 3 SER OG 1 1 20 7908 1 1 4 PRO C C 1.572 8.027 -1.940 1.00 . A A . 4 PRO C 1 1 20 7909 1 1 4 PRO CA C 2.755 8.962 -1.740 1.00 . A A . 4 PRO CA 1 1 20 7910 1 1 4 PRO CB C 3.944 8.457 -2.567 1.00 . A A . 4 PRO CB 1 1 20 7911 1 1 4 PRO CD C 4.593 8.334 -0.282 1.00 . A A . 4 PRO CD 1 1 20 7912 1 1 4 PRO CG C 5.117 8.575 -1.665 1.00 . A A . 4 PRO CG 1 1 20 7913 1 1 4 PRO HA H 2.491 9.969 -2.026 1.00 . A A . 4 PRO HA 1 1 20 7914 1 1 4 PRO HB2 H 3.761 7.428 -2.837 1.00 . A A . 4 PRO HB2 1 1 20 7915 1 1 4 PRO HB3 H 4.062 9.047 -3.463 1.00 . A A . 4 PRO HB3 1 1 20 7916 1 1 4 PRO HD2 H 4.585 7.278 -0.053 1.00 . A A . 4 PRO HD2 1 1 20 7917 1 1 4 PRO HD3 H 5.187 8.877 0.436 1.00 . A A . 4 PRO HD3 1 1 20 7918 1 1 4 PRO HG2 H 5.860 7.835 -1.926 1.00 . A A . 4 PRO HG2 1 1 20 7919 1 1 4 PRO HG3 H 5.531 9.569 -1.741 1.00 . A A . 4 PRO HG3 1 1 20 7920 1 1 4 PRO N N 3.226 8.880 -0.360 1.00 . A A . 4 PRO N 1 1 20 7921 1 1 4 PRO O O 1.587 6.890 -1.437 1.00 . A A . 4 PRO O 1 1 20 7922 1 1 5 CYS C C -0.316 6.480 -3.671 1.00 . A A . 5 CYS C 1 1 20 7923 1 1 5 CYS CA C -0.635 7.744 -2.912 1.00 . A A . 5 CYS CA 1 1 20 7924 1 1 5 CYS CB C -1.610 8.564 -3.743 1.00 . A A . 5 CYS CB 1 1 20 7925 1 1 5 CYS H H 0.641 9.401 -3.027 1.00 . A A . 5 CYS H 1 1 20 7926 1 1 5 CYS HA H -1.106 7.498 -1.973 1.00 . A A . 5 CYS HA 1 1 20 7927 1 1 5 CYS HB2 H -1.799 9.521 -3.280 1.00 . A A . 5 CYS HB2 1 1 20 7928 1 1 5 CYS HB3 H -1.137 8.702 -4.705 1.00 . A A . 5 CYS HB3 1 1 20 7929 1 1 5 CYS N N 0.571 8.499 -2.649 1.00 . A A . 5 CYS N 1 1 20 7930 1 1 5 CYS O O 0.143 6.529 -4.823 1.00 . A A . 5 CYS O 1 1 20 7931 1 1 5 CYS SG S -3.213 7.736 -4.049 1.00 . A A . 5 CYS SG 1 1 20 7932 1 1 6 PHE C C -1.442 3.211 -3.337 1.00 . A A . 6 PHE C 1 1 20 7933 1 1 6 PHE CA C -0.298 4.122 -3.698 1.00 . A A . 6 PHE CA 1 1 20 7934 1 1 6 PHE CB C 1.037 3.505 -3.295 1.00 . A A . 6 PHE CB 1 1 20 7935 1 1 6 PHE CD1 C 2.020 2.829 -5.447 1.00 . A A . 6 PHE CD1 1 1 20 7936 1 1 6 PHE CD2 C 1.359 1.112 -3.953 1.00 . A A . 6 PHE CD2 1 1 20 7937 1 1 6 PHE CE1 C 2.432 1.901 -6.358 1.00 . A A . 6 PHE CE1 1 1 20 7938 1 1 6 PHE CE2 C 1.773 0.164 -4.862 1.00 . A A . 6 PHE CE2 1 1 20 7939 1 1 6 PHE CG C 1.482 2.455 -4.244 1.00 . A A . 6 PHE CG 1 1 20 7940 1 1 6 PHE CZ C 2.311 0.559 -6.069 1.00 . A A . 6 PHE CZ 1 1 20 7941 1 1 6 PHE H H -0.743 5.392 -2.089 1.00 . A A . 6 PHE H 1 1 20 7942 1 1 6 PHE HA H -0.304 4.298 -4.764 1.00 . A A . 6 PHE HA 1 1 20 7943 1 1 6 PHE HB2 H 1.792 4.277 -3.265 1.00 . A A . 6 PHE HB2 1 1 20 7944 1 1 6 PHE HB3 H 0.942 3.058 -2.317 1.00 . A A . 6 PHE HB3 1 1 20 7945 1 1 6 PHE HD1 H 2.115 3.881 -5.667 1.00 . A A . 6 PHE HD1 1 1 20 7946 1 1 6 PHE HD2 H 0.936 0.807 -3.007 1.00 . A A . 6 PHE HD2 1 1 20 7947 1 1 6 PHE HE1 H 2.846 2.252 -7.290 1.00 . A A . 6 PHE HE1 1 1 20 7948 1 1 6 PHE HE2 H 1.674 -0.885 -4.627 1.00 . A A . 6 PHE HE2 1 1 20 7949 1 1 6 PHE HZ H 2.633 -0.181 -6.785 1.00 . A A . 6 PHE HZ 1 1 20 7950 1 1 6 PHE N N -0.491 5.368 -3.038 1.00 . A A . 6 PHE N 1 1 20 7951 1 1 6 PHE O O -1.805 3.129 -2.167 1.00 . A A . 6 PHE O 1 1 20 7952 1 1 7 CYS C C -2.856 0.313 -4.643 1.00 . A A . 7 CYS C 1 1 20 7953 1 1 7 CYS CA C -3.134 1.665 -4.065 1.00 . A A . 7 CYS CA 1 1 20 7954 1 1 7 CYS CB C -4.425 2.199 -4.672 1.00 . A A . 7 CYS CB 1 1 20 7955 1 1 7 CYS H H -1.691 2.634 -5.229 1.00 . A A . 7 CYS H 1 1 20 7956 1 1 7 CYS HA H -3.268 1.566 -2.999 1.00 . A A . 7 CYS HA 1 1 20 7957 1 1 7 CYS HB2 H -4.295 2.259 -5.739 1.00 . A A . 7 CYS HB2 1 1 20 7958 1 1 7 CYS HB3 H -5.214 1.490 -4.467 1.00 . A A . 7 CYS HB3 1 1 20 7959 1 1 7 CYS N N -2.018 2.554 -4.307 1.00 . A A . 7 CYS N 1 1 20 7960 1 1 7 CYS O O -2.186 0.196 -5.676 1.00 . A A . 7 CYS O 1 1 20 7961 1 1 7 CYS SG S -4.961 3.825 -4.052 1.00 . A A . 7 CYS SG 1 1 20 7962 1 1 8 VAL C C -4.510 -2.763 -4.051 1.00 . A A . 8 VAL C 1 1 20 7963 1 1 8 VAL CA C -3.208 -2.067 -4.407 1.00 . A A . 8 VAL CA 1 1 20 7964 1 1 8 VAL CB C -2.060 -2.826 -3.651 1.00 . A A . 8 VAL CB 1 1 20 7965 1 1 8 VAL CG1 C -1.733 -4.149 -4.324 1.00 . A A . 8 VAL CG1 1 1 20 7966 1 1 8 VAL CG2 C -0.803 -1.988 -3.468 1.00 . A A . 8 VAL CG2 1 1 20 7967 1 1 8 VAL H H -3.840 -0.507 -3.147 1.00 . A A . 8 VAL H 1 1 20 7968 1 1 8 VAL HA H -3.033 -2.099 -5.472 1.00 . A A . 8 VAL HA 1 1 20 7969 1 1 8 VAL HB H -2.460 -3.072 -2.679 1.00 . A A . 8 VAL HB 1 1 20 7970 1 1 8 VAL HG11 H -2.608 -4.781 -4.319 1.00 . A A . 8 VAL HG11 1 1 20 7971 1 1 8 VAL HG12 H -0.930 -4.636 -3.791 1.00 . A A . 8 VAL HG12 1 1 20 7972 1 1 8 VAL HG13 H -1.426 -3.967 -5.343 1.00 . A A . 8 VAL HG13 1 1 20 7973 1 1 8 VAL HG21 H -0.057 -2.564 -2.940 1.00 . A A . 8 VAL HG21 1 1 20 7974 1 1 8 VAL HG22 H -1.042 -1.100 -2.902 1.00 . A A . 8 VAL HG22 1 1 20 7975 1 1 8 VAL HG23 H -0.419 -1.703 -4.436 1.00 . A A . 8 VAL HG23 1 1 20 7976 1 1 8 VAL N N -3.341 -0.695 -3.975 1.00 . A A . 8 VAL N 1 1 20 7977 1 1 8 VAL O O -5.164 -2.386 -3.062 1.00 . A A . 8 VAL O 1 1 20 7978 1 1 9 GLU C C -5.545 -5.691 -3.705 1.00 . A A . 9 GLU C 1 1 20 7979 1 1 9 GLU CA C -6.059 -4.503 -4.481 1.00 . A A . 9 GLU CA 1 1 20 7980 1 1 9 GLU CB C -6.844 -4.939 -5.710 1.00 . A A . 9 GLU CB 1 1 20 7981 1 1 9 GLU CD C -8.971 -5.943 -6.574 1.00 . A A . 9 GLU CD 1 1 20 7982 1 1 9 GLU CG C -8.200 -5.529 -5.363 1.00 . A A . 9 GLU CG 1 1 20 7983 1 1 9 GLU H H -4.410 -3.951 -5.641 1.00 . A A . 9 GLU H 1 1 20 7984 1 1 9 GLU HA H -6.687 -3.924 -3.824 1.00 . A A . 9 GLU HA 1 1 20 7985 1 1 9 GLU HB2 H -6.995 -4.084 -6.352 1.00 . A A . 9 GLU HB2 1 1 20 7986 1 1 9 GLU HB3 H -6.276 -5.687 -6.242 1.00 . A A . 9 GLU HB3 1 1 20 7987 1 1 9 GLU HG2 H -8.058 -6.388 -4.726 1.00 . A A . 9 GLU HG2 1 1 20 7988 1 1 9 GLU HG3 H -8.770 -4.784 -4.827 1.00 . A A . 9 GLU HG3 1 1 20 7989 1 1 9 GLU N N -4.914 -3.727 -4.830 1.00 . A A . 9 GLU N 1 1 20 7990 1 1 9 GLU O O -4.896 -6.581 -4.262 1.00 . A A . 9 GLU O 1 1 20 7991 1 1 9 GLU OE1 O -8.928 -7.145 -6.946 1.00 . A A . 9 GLU OE1 1 1 20 7992 1 1 9 GLU OE2 O -9.629 -5.081 -7.194 1.00 . A A . 9 GLU OE2 1 1 20 7993 1 1 10 ASP C C -6.172 -7.852 -1.481 1.00 . A A . 10 ASP C 1 1 20 7994 1 1 10 ASP CA C -5.210 -6.695 -1.572 1.00 . A A . 10 ASP CA 1 1 20 7995 1 1 10 ASP CB C -4.915 -6.139 -0.186 1.00 . A A . 10 ASP CB 1 1 20 7996 1 1 10 ASP CG C -4.092 -7.081 0.649 1.00 . A A . 10 ASP CG 1 1 20 7997 1 1 10 ASP H H -6.323 -4.982 -2.019 1.00 . A A . 10 ASP H 1 1 20 7998 1 1 10 ASP HA H -4.287 -7.032 -2.018 1.00 . A A . 10 ASP HA 1 1 20 7999 1 1 10 ASP HB2 H -4.373 -5.210 -0.285 1.00 . A A . 10 ASP HB2 1 1 20 8000 1 1 10 ASP HB3 H -5.848 -5.952 0.326 1.00 . A A . 10 ASP HB3 1 1 20 8001 1 1 10 ASP N N -5.759 -5.676 -2.420 1.00 . A A . 10 ASP N 1 1 20 8002 1 1 10 ASP O O -7.243 -7.732 -0.896 1.00 . A A . 10 ASP O 1 1 20 8003 1 1 10 ASP OD1 O -2.863 -6.884 0.737 1.00 . A A . 10 ASP OD1 1 1 20 8004 1 1 10 ASP OD2 O -4.634 -8.023 1.227 1.00 . A A . 10 ASP OD2 1 1 20 8005 1 1 11 GLU C C -6.669 -10.854 -0.750 1.00 . A A . 11 GLU C 1 1 20 8006 1 1 11 GLU CA C -6.633 -10.146 -2.109 1.00 . A A . 11 GLU CA 1 1 20 8007 1 1 11 GLU CB C -6.125 -11.101 -3.204 1.00 . A A . 11 GLU CB 1 1 20 8008 1 1 11 GLU CD C -8.416 -11.744 -4.085 1.00 . A A . 11 GLU CD 1 1 20 8009 1 1 11 GLU CG C -7.084 -12.243 -3.560 1.00 . A A . 11 GLU CG 1 1 20 8010 1 1 11 GLU H H -4.889 -8.988 -2.442 1.00 . A A . 11 GLU H 1 1 20 8011 1 1 11 GLU HA H -7.634 -9.827 -2.359 1.00 . A A . 11 GLU HA 1 1 20 8012 1 1 11 GLU HB2 H -5.932 -10.528 -4.098 1.00 . A A . 11 GLU HB2 1 1 20 8013 1 1 11 GLU HB3 H -5.195 -11.535 -2.868 1.00 . A A . 11 GLU HB3 1 1 20 8014 1 1 11 GLU HG2 H -6.626 -12.861 -4.318 1.00 . A A . 11 GLU HG2 1 1 20 8015 1 1 11 GLU HG3 H -7.260 -12.834 -2.674 1.00 . A A . 11 GLU HG3 1 1 20 8016 1 1 11 GLU N N -5.786 -8.966 -2.047 1.00 . A A . 11 GLU N 1 1 20 8017 1 1 11 GLU O O -7.556 -11.669 -0.477 1.00 . A A . 11 GLU O 1 1 20 8018 1 1 11 GLU OE1 O -9.398 -11.691 -3.317 1.00 . A A . 11 GLU OE1 1 1 20 8019 1 1 11 GLU OE2 O -8.500 -11.363 -5.267 1.00 . A A . 11 GLU OE2 1 1 20 8020 1 1 12 THR C C -6.719 -10.477 2.319 1.00 . A A . 12 THR C 1 1 20 8021 1 1 12 THR CA C -5.680 -11.149 1.405 1.00 . A A . 12 THR CA 1 1 20 8022 1 1 12 THR CB C -4.263 -11.035 1.991 1.00 . A A . 12 THR CB 1 1 20 8023 1 1 12 THR CG2 C -4.123 -11.865 3.263 1.00 . A A . 12 THR CG2 1 1 20 8024 1 1 12 THR H H -5.057 -9.861 -0.122 1.00 . A A . 12 THR H 1 1 20 8025 1 1 12 THR HA H -5.941 -12.191 1.296 1.00 . A A . 12 THR HA 1 1 20 8026 1 1 12 THR HB H -4.064 -9.998 2.208 1.00 . A A . 12 THR HB 1 1 20 8027 1 1 12 THR HG1 H -2.607 -10.860 0.970 1.00 . A A . 12 THR HG1 1 1 20 8028 1 1 12 THR HG21 H -3.122 -11.757 3.655 1.00 . A A . 12 THR HG21 1 1 20 8029 1 1 12 THR HG22 H -4.310 -12.904 3.036 1.00 . A A . 12 THR HG22 1 1 20 8030 1 1 12 THR HG23 H -4.838 -11.523 3.997 1.00 . A A . 12 THR HG23 1 1 20 8031 1 1 12 THR N N -5.732 -10.538 0.104 1.00 . A A . 12 THR N 1 1 20 8032 1 1 12 THR O O -7.411 -11.146 3.095 1.00 . A A . 12 THR O 1 1 20 8033 1 1 12 THR OG1 O -3.316 -11.513 1.012 1.00 . A A . 12 THR OG1 1 1 20 8034 1 1 13 SER C C -9.153 -8.510 2.183 1.00 . A A . 13 SER C 1 1 20 8035 1 1 13 SER CA C -7.810 -8.390 2.909 1.00 . A A . 13 SER CA 1 1 20 8036 1 1 13 SER CB C -7.343 -6.925 2.987 1.00 . A A . 13 SER CB 1 1 20 8037 1 1 13 SER H H -6.165 -8.697 1.632 1.00 . A A . 13 SER H 1 1 20 8038 1 1 13 SER HA H -7.916 -8.781 3.905 1.00 . A A . 13 SER HA 1 1 20 8039 1 1 13 SER HB2 H -6.347 -6.879 3.402 1.00 . A A . 13 SER HB2 1 1 20 8040 1 1 13 SER HB3 H -7.328 -6.549 1.978 1.00 . A A . 13 SER HB3 1 1 20 8041 1 1 13 SER HG H -8.121 -6.375 4.695 1.00 . A A . 13 SER HG 1 1 20 8042 1 1 13 SER N N -6.826 -9.168 2.197 1.00 . A A . 13 SER N 1 1 20 8043 1 1 13 SER O O -10.224 -8.527 2.806 1.00 . A A . 13 SER O 1 1 20 8044 1 1 13 SER OG O -8.207 -6.109 3.771 1.00 . A A . 13 SER OG 1 1 20 8045 1 1 14 GLY C C -10.799 -7.444 -0.356 1.00 . A A . 14 GLY C 1 1 20 8046 1 1 14 GLY CA C -10.269 -8.780 0.072 1.00 . A A . 14 GLY CA 1 1 20 8047 1 1 14 GLY H H -8.210 -8.597 0.424 1.00 . A A . 14 GLY H 1 1 20 8048 1 1 14 GLY HA2 H -10.036 -9.373 -0.800 1.00 . A A . 14 GLY HA2 1 1 20 8049 1 1 14 GLY HA3 H -11.025 -9.285 0.653 1.00 . A A . 14 GLY HA3 1 1 20 8050 1 1 14 GLY N N -9.085 -8.634 0.872 1.00 . A A . 14 GLY N 1 1 20 8051 1 1 14 GLY O O -11.982 -7.303 -0.668 1.00 . A A . 14 GLY O 1 1 20 8052 1 1 15 ALA C C -9.123 -4.294 -1.119 1.00 . A A . 15 ALA C 1 1 20 8053 1 1 15 ALA CA C -10.326 -5.113 -0.719 1.00 . A A . 15 ALA CA 1 1 20 8054 1 1 15 ALA CB C -11.045 -4.437 0.446 1.00 . A A . 15 ALA CB 1 1 20 8055 1 1 15 ALA H H -8.996 -6.623 -0.128 1.00 . A A . 15 ALA H 1 1 20 8056 1 1 15 ALA HA H -11.015 -5.176 -1.546 1.00 . A A . 15 ALA HA 1 1 20 8057 1 1 15 ALA HB1 H -10.372 -4.361 1.288 1.00 . A A . 15 ALA HB1 1 1 20 8058 1 1 15 ALA HB2 H -11.909 -5.021 0.726 1.00 . A A . 15 ALA HB2 1 1 20 8059 1 1 15 ALA HB3 H -11.358 -3.448 0.146 1.00 . A A . 15 ALA HB3 1 1 20 8060 1 1 15 ALA N N -9.935 -6.452 -0.359 1.00 . A A . 15 ALA N 1 1 20 8061 1 1 15 ALA O O -7.989 -4.609 -0.738 1.00 . A A . 15 ALA O 1 1 20 8062 1 1 16 LYS C C -7.929 -1.542 -1.068 1.00 . A A . 16 LYS C 1 1 20 8063 1 1 16 LYS CA C -8.355 -2.330 -2.290 1.00 . A A . 16 LYS CA 1 1 20 8064 1 1 16 LYS CB C -8.886 -1.397 -3.390 1.00 . A A . 16 LYS CB 1 1 20 8065 1 1 16 LYS CD C -8.494 0.587 -4.969 1.00 . A A . 16 LYS CD 1 1 20 8066 1 1 16 LYS CE C -9.695 1.452 -4.511 1.00 . A A . 16 LYS CE 1 1 20 8067 1 1 16 LYS CG C -7.910 -0.333 -3.869 1.00 . A A . 16 LYS CG 1 1 20 8068 1 1 16 LYS H H -10.263 -3.175 -2.294 1.00 . A A . 16 LYS H 1 1 20 8069 1 1 16 LYS HA H -7.484 -2.844 -2.647 1.00 . A A . 16 LYS HA 1 1 20 8070 1 1 16 LYS HB2 H -9.198 -1.979 -4.243 1.00 . A A . 16 LYS HB2 1 1 20 8071 1 1 16 LYS HB3 H -9.740 -0.885 -2.978 1.00 . A A . 16 LYS HB3 1 1 20 8072 1 1 16 LYS HD2 H -7.714 1.252 -5.308 1.00 . A A . 16 LYS HD2 1 1 20 8073 1 1 16 LYS HD3 H -8.806 -0.034 -5.796 1.00 . A A . 16 LYS HD3 1 1 20 8074 1 1 16 LYS HE2 H -9.474 1.867 -3.540 1.00 . A A . 16 LYS HE2 1 1 20 8075 1 1 16 LYS HE3 H -9.804 2.259 -5.220 1.00 . A A . 16 LYS HE3 1 1 20 8076 1 1 16 LYS HG2 H -7.624 0.275 -3.024 1.00 . A A . 16 LYS HG2 1 1 20 8077 1 1 16 LYS HG3 H -7.032 -0.829 -4.257 1.00 . A A . 16 LYS HG3 1 1 20 8078 1 1 16 LYS HZ1 H -10.984 -0.065 -3.728 1.00 . A A . 16 LYS HZ1 1 1 20 8079 1 1 16 LYS HZ2 H -11.229 0.294 -5.342 1.00 . A A . 16 LYS HZ2 1 1 20 8080 1 1 16 LYS HZ3 H -11.762 1.353 -4.170 1.00 . A A . 16 LYS HZ3 1 1 20 8081 1 1 16 LYS N N -9.364 -3.282 -1.918 1.00 . A A . 16 LYS N 1 1 20 8082 1 1 16 LYS NZ N -10.984 0.709 -4.420 1.00 . A A . 16 LYS NZ 1 1 20 8083 1 1 16 LYS O O -8.749 -1.230 -0.191 1.00 . A A . 16 LYS O 1 1 20 8084 1 1 17 THR C C -5.179 0.490 -0.544 1.00 . A A . 17 THR C 1 1 20 8085 1 1 17 THR CA C -6.136 -0.523 0.065 1.00 . A A . 17 THR CA 1 1 20 8086 1 1 17 THR CB C -5.424 -1.445 1.107 1.00 . A A . 17 THR CB 1 1 20 8087 1 1 17 THR CG2 C -4.265 -2.224 0.483 1.00 . A A . 17 THR CG2 1 1 20 8088 1 1 17 THR H H -6.059 -1.586 -1.689 1.00 . A A . 17 THR H 1 1 20 8089 1 1 17 THR HA H -6.948 -0.001 0.548 1.00 . A A . 17 THR HA 1 1 20 8090 1 1 17 THR HB H -6.160 -2.147 1.473 1.00 . A A . 17 THR HB 1 1 20 8091 1 1 17 THR HG1 H -5.699 -0.504 2.810 1.00 . A A . 17 THR HG1 1 1 20 8092 1 1 17 THR HG21 H -4.639 -2.839 -0.323 1.00 . A A . 17 THR HG21 1 1 20 8093 1 1 17 THR HG22 H -3.805 -2.851 1.231 1.00 . A A . 17 THR HG22 1 1 20 8094 1 1 17 THR HG23 H -3.536 -1.529 0.094 1.00 . A A . 17 THR HG23 1 1 20 8095 1 1 17 THR N N -6.681 -1.276 -0.989 1.00 . A A . 17 THR N 1 1 20 8096 1 1 17 THR O O -4.588 0.235 -1.609 1.00 . A A . 17 THR O 1 1 20 8097 1 1 17 THR OG1 O -4.949 -0.679 2.225 1.00 . A A . 17 THR OG1 1 1 20 8098 1 1 18 CYS C C -3.433 3.210 0.737 1.00 . A A . 18 CYS C 1 1 20 8099 1 1 18 CYS CA C -4.217 2.658 -0.412 1.00 . A A . 18 CYS CA 1 1 20 8100 1 1 18 CYS CB C -5.012 3.800 -1.045 1.00 . A A . 18 CYS CB 1 1 20 8101 1 1 18 CYS H H -5.604 1.783 0.876 1.00 . A A . 18 CYS H 1 1 20 8102 1 1 18 CYS HA H -3.543 2.250 -1.151 1.00 . A A . 18 CYS HA 1 1 20 8103 1 1 18 CYS HB2 H -5.624 4.258 -0.285 1.00 . A A . 18 CYS HB2 1 1 20 8104 1 1 18 CYS HB3 H -4.309 4.541 -1.396 1.00 . A A . 18 CYS HB3 1 1 20 8105 1 1 18 CYS N N -5.081 1.626 0.061 1.00 . A A . 18 CYS N 1 1 20 8106 1 1 18 CYS O O -3.710 2.894 1.896 1.00 . A A . 18 CYS O 1 1 20 8107 1 1 18 CYS SG S -6.091 3.358 -2.439 1.00 . A A . 18 CYS SG 1 1 20 8108 1 1 19 VAL C C -1.542 6.180 0.971 1.00 . A A . 19 VAL C 1 1 20 8109 1 1 19 VAL CA C -1.717 4.714 1.420 1.00 . A A . 19 VAL CA 1 1 20 8110 1 1 19 VAL CB C -0.351 4.017 1.737 1.00 . A A . 19 VAL CB 1 1 20 8111 1 1 19 VAL CG1 C 0.544 3.881 0.511 1.00 . A A . 19 VAL CG1 1 1 20 8112 1 1 19 VAL CG2 C 0.374 4.722 2.871 1.00 . A A . 19 VAL CG2 1 1 20 8113 1 1 19 VAL H H -2.247 4.144 -0.516 1.00 . A A . 19 VAL H 1 1 20 8114 1 1 19 VAL HA H -2.334 4.710 2.307 1.00 . A A . 19 VAL HA 1 1 20 8115 1 1 19 VAL HB H -0.584 3.015 2.067 1.00 . A A . 19 VAL HB 1 1 20 8116 1 1 19 VAL HG11 H 0.765 4.863 0.119 1.00 . A A . 19 VAL HG11 1 1 20 8117 1 1 19 VAL HG12 H 0.030 3.303 -0.243 1.00 . A A . 19 VAL HG12 1 1 20 8118 1 1 19 VAL HG13 H 1.462 3.385 0.785 1.00 . A A . 19 VAL HG13 1 1 20 8119 1 1 19 VAL HG21 H 0.566 5.747 2.589 1.00 . A A . 19 VAL HG21 1 1 20 8120 1 1 19 VAL HG22 H 1.310 4.221 3.067 1.00 . A A . 19 VAL HG22 1 1 20 8121 1 1 19 VAL HG23 H -0.238 4.701 3.759 1.00 . A A . 19 VAL HG23 1 1 20 8122 1 1 19 VAL N N -2.469 4.016 0.430 1.00 . A A . 19 VAL N 1 1 20 8123 1 1 19 VAL O O -0.915 6.447 -0.048 1.00 . A A . 19 VAL O 1 1 20 8124 1 1 20 PRO C C -4.450 6.202 2.158 1.00 . A A . 20 PRO C 1 1 20 8125 1 1 20 PRO CA C -3.190 6.859 2.714 1.00 . A A . 20 PRO CA 1 1 20 8126 1 1 20 PRO CB C -3.530 8.248 3.258 1.00 . A A . 20 PRO CB 1 1 20 8127 1 1 20 PRO CD C -2.099 8.575 1.377 1.00 . A A . 20 PRO CD 1 1 20 8128 1 1 20 PRO CG C -3.262 9.170 2.127 1.00 . A A . 20 PRO CG 1 1 20 8129 1 1 20 PRO HA H -2.761 6.245 3.492 1.00 . A A . 20 PRO HA 1 1 20 8130 1 1 20 PRO HB2 H -4.571 8.268 3.551 1.00 . A A . 20 PRO HB2 1 1 20 8131 1 1 20 PRO HB3 H -2.908 8.464 4.112 1.00 . A A . 20 PRO HB3 1 1 20 8132 1 1 20 PRO HD2 H -2.178 8.782 0.319 1.00 . A A . 20 PRO HD2 1 1 20 8133 1 1 20 PRO HD3 H -1.159 8.946 1.755 1.00 . A A . 20 PRO HD3 1 1 20 8134 1 1 20 PRO HG2 H -4.137 9.227 1.497 1.00 . A A . 20 PRO HG2 1 1 20 8135 1 1 20 PRO HG3 H -3.014 10.154 2.493 1.00 . A A . 20 PRO HG3 1 1 20 8136 1 1 20 PRO N N -2.226 7.137 1.635 1.00 . A A . 20 PRO N 1 1 20 8137 1 1 20 PRO O O -4.676 6.224 0.934 1.00 . A A . 20 PRO O 1 1 20 8138 1 1 21 ASP C C -7.353 5.747 1.754 1.00 . A A . 21 ASP C 1 1 20 8139 1 1 21 ASP CA C -6.460 4.908 2.650 1.00 . A A . 21 ASP CA 1 1 20 8140 1 1 21 ASP CB C -7.232 4.445 3.874 1.00 . A A . 21 ASP CB 1 1 20 8141 1 1 21 ASP CG C -8.539 3.784 3.516 1.00 . A A . 21 ASP CG 1 1 20 8142 1 1 21 ASP H H -5.005 5.696 3.982 1.00 . A A . 21 ASP H 1 1 20 8143 1 1 21 ASP HA H -6.149 4.036 2.091 1.00 . A A . 21 ASP HA 1 1 20 8144 1 1 21 ASP HB2 H -6.633 3.748 4.442 1.00 . A A . 21 ASP HB2 1 1 20 8145 1 1 21 ASP HB3 H -7.446 5.313 4.479 1.00 . A A . 21 ASP HB3 1 1 20 8146 1 1 21 ASP N N -5.241 5.627 3.032 1.00 . A A . 21 ASP N 1 1 20 8147 1 1 21 ASP O O -7.700 6.884 2.095 1.00 . A A . 21 ASP O 1 1 20 8148 1 1 21 ASP OD1 O -9.602 4.407 3.717 1.00 . A A . 21 ASP OD1 1 1 20 8149 1 1 21 ASP OD2 O -8.529 2.631 3.030 1.00 . A A . 21 ASP OD2 1 1 20 8150 1 1 22 ASN C C -7.961 7.167 -0.869 1.00 . A A . 22 ASN C 1 1 20 8151 1 1 22 ASN CA C -8.470 5.806 -0.433 1.00 . A A . 22 ASN CA 1 1 20 8152 1 1 22 ASN CB C -9.953 5.827 -0.083 1.00 . A A . 22 ASN CB 1 1 20 8153 1 1 22 ASN CG C -10.628 4.497 -0.360 1.00 . A A . 22 ASN CG 1 1 20 8154 1 1 22 ASN H H -7.397 4.256 0.446 1.00 . A A . 22 ASN H 1 1 20 8155 1 1 22 ASN HA H -8.352 5.164 -1.294 1.00 . A A . 22 ASN HA 1 1 20 8156 1 1 22 ASN HB2 H -10.076 6.074 0.961 1.00 . A A . 22 ASN HB2 1 1 20 8157 1 1 22 ASN HB3 H -10.414 6.583 -0.695 1.00 . A A . 22 ASN HB3 1 1 20 8158 1 1 22 ASN HD21 H -11.142 5.098 -2.177 1.00 . A A . 22 ASN HD21 1 1 20 8159 1 1 22 ASN HD22 H -11.613 3.494 -1.735 1.00 . A A . 22 ASN HD22 1 1 20 8160 1 1 22 ASN N N -7.673 5.181 0.600 1.00 . A A . 22 ASN N 1 1 20 8161 1 1 22 ASN ND2 N -11.180 4.353 -1.540 1.00 . A A . 22 ASN ND2 1 1 20 8162 1 1 22 ASN O O -8.750 8.064 -1.184 1.00 . A A . 22 ASN O 1 1 20 8163 1 1 22 ASN OD1 O -10.662 3.609 0.482 1.00 . A A . 22 ASN OD1 1 1 20 8164 1 1 23 CYS C C -6.462 8.743 -2.874 1.00 . A A . 23 CYS C 1 1 20 8165 1 1 23 CYS CA C -6.010 8.536 -1.442 1.00 . A A . 23 CYS CA 1 1 20 8166 1 1 23 CYS CB C -4.479 8.446 -1.370 1.00 . A A . 23 CYS CB 1 1 20 8167 1 1 23 CYS H H -6.040 6.635 -0.524 1.00 . A A . 23 CYS H 1 1 20 8168 1 1 23 CYS HA H -6.354 9.369 -0.856 1.00 . A A . 23 CYS HA 1 1 20 8169 1 1 23 CYS HB2 H -4.042 9.330 -1.809 1.00 . A A . 23 CYS HB2 1 1 20 8170 1 1 23 CYS HB3 H -4.186 8.384 -0.333 1.00 . A A . 23 CYS HB3 1 1 20 8171 1 1 23 CYS N N -6.629 7.323 -0.906 1.00 . A A . 23 CYS N 1 1 20 8172 1 1 23 CYS O O -6.767 9.868 -3.313 1.00 . A A . 23 CYS O 1 1 20 8173 1 1 23 CYS SG S -3.754 6.998 -2.230 1.00 . A A . 23 CYS SG 1 1 20 8174 1 1 24 ASP C C -8.523 7.626 -4.973 1.00 . A A . 24 ASP C 1 1 20 8175 1 1 24 ASP CA C -7.024 7.627 -4.913 1.00 . A A . 24 ASP CA 1 1 20 8176 1 1 24 ASP CB C -6.418 6.487 -5.716 1.00 . A A . 24 ASP CB 1 1 20 8177 1 1 24 ASP CG C -6.991 6.375 -7.113 1.00 . A A . 24 ASP CG 1 1 20 8178 1 1 24 ASP H H -6.368 6.817 -3.095 1.00 . A A . 24 ASP H 1 1 20 8179 1 1 24 ASP HA H -6.696 8.562 -5.344 1.00 . A A . 24 ASP HA 1 1 20 8180 1 1 24 ASP HB2 H -5.352 6.643 -5.800 1.00 . A A . 24 ASP HB2 1 1 20 8181 1 1 24 ASP HB3 H -6.598 5.557 -5.197 1.00 . A A . 24 ASP HB3 1 1 20 8182 1 1 24 ASP N N -6.582 7.646 -3.562 1.00 . A A . 24 ASP N 1 1 20 8183 1 1 24 ASP O O -9.189 6.597 -5.004 1.00 . A A . 24 ASP O 1 1 20 8184 1 1 24 ASP OD1 O -7.154 5.230 -7.597 1.00 . A A . 24 ASP OD1 1 1 20 8185 1 1 24 ASP OD2 O -7.309 7.399 -7.736 1.00 . A A . 24 ASP OD2 1 1 20 8186 1 1 25 ALA C C -10.400 10.297 -5.932 1.00 . A A . 25 ALA C 1 1 20 8187 1 1 25 ALA CA C -10.392 9.125 -4.981 1.00 . A A . 25 ALA CA 1 1 20 8188 1 1 25 ALA CB C -11.008 9.501 -3.640 1.00 . A A . 25 ALA CB 1 1 20 8189 1 1 25 ALA H H -8.368 9.469 -4.516 1.00 . A A . 25 ALA H 1 1 20 8190 1 1 25 ALA HA H -10.913 8.284 -5.416 1.00 . A A . 25 ALA HA 1 1 20 8191 1 1 25 ALA HB1 H -10.440 10.304 -3.197 1.00 . A A . 25 ALA HB1 1 1 20 8192 1 1 25 ALA HB2 H -10.993 8.644 -2.982 1.00 . A A . 25 ALA HB2 1 1 20 8193 1 1 25 ALA HB3 H -12.028 9.822 -3.791 1.00 . A A . 25 ALA HB3 1 1 20 8194 1 1 25 ALA N N -9.012 8.788 -4.809 1.00 . A A . 25 ALA N 1 1 20 8195 1 1 25 ALA O O -11.353 11.063 -6.029 1.00 . A A . 25 ALA O 1 1 20 8196 1 1 26 SER C C -9.688 11.155 -8.902 1.00 . A A . 26 SER C 1 1 20 8197 1 1 26 SER CA C -9.030 11.455 -7.559 1.00 . A A . 26 SER CA 1 1 20 8198 1 1 26 SER CB C -7.515 11.564 -7.677 1.00 . A A . 26 SER CB 1 1 20 8199 1 1 26 SER H H -8.629 9.689 -6.570 1.00 . A A . 26 SER H 1 1 20 8200 1 1 26 SER HA H -9.415 12.381 -7.159 1.00 . A A . 26 SER HA 1 1 20 8201 1 1 26 SER HB2 H -7.126 10.636 -8.067 1.00 . A A . 26 SER HB2 1 1 20 8202 1 1 26 SER HB3 H -7.229 12.375 -8.329 1.00 . A A . 26 SER HB3 1 1 20 8203 1 1 26 SER HG H -7.630 12.282 -5.890 1.00 . A A . 26 SER HG 1 1 20 8204 1 1 26 SER N N -9.300 10.400 -6.639 1.00 . A A . 26 SER N 1 1 20 8205 1 1 26 SER O O -9.921 9.988 -9.234 1.00 . A A . 26 SER O 1 1 20 8206 1 1 26 SER OG O -6.958 11.790 -6.377 1.00 . A A . 26 SER OG 1 1 20 8207 1 1 27 ARG C C -9.950 12.775 -11.977 1.00 . A A . 27 ARG C 1 1 20 8208 1 1 27 ARG CA C -10.675 11.998 -10.911 1.00 . A A . 27 ARG CA 1 1 20 8209 1 1 27 ARG CB C -12.137 12.444 -10.858 1.00 . A A . 27 ARG CB 1 1 20 8210 1 1 27 ARG CD C -14.439 12.161 -9.928 1.00 . A A . 27 ARG CD 1 1 20 8211 1 1 27 ARG CG C -12.978 11.784 -9.777 1.00 . A A . 27 ARG CG 1 1 20 8212 1 1 27 ARG CZ C -15.675 14.227 -10.580 1.00 . A A . 27 ARG CZ 1 1 20 8213 1 1 27 ARG H H -9.760 13.095 -9.402 1.00 . A A . 27 ARG H 1 1 20 8214 1 1 27 ARG HA H -10.637 10.947 -11.156 1.00 . A A . 27 ARG HA 1 1 20 8215 1 1 27 ARG HB2 H -12.165 13.511 -10.694 1.00 . A A . 27 ARG HB2 1 1 20 8216 1 1 27 ARG HB3 H -12.592 12.233 -11.814 1.00 . A A . 27 ARG HB3 1 1 20 8217 1 1 27 ARG HD2 H -14.825 11.715 -10.833 1.00 . A A . 27 ARG HD2 1 1 20 8218 1 1 27 ARG HD3 H -14.983 11.778 -9.077 1.00 . A A . 27 ARG HD3 1 1 20 8219 1 1 27 ARG HE H -13.917 14.159 -9.602 1.00 . A A . 27 ARG HE 1 1 20 8220 1 1 27 ARG HG2 H -12.878 10.712 -9.860 1.00 . A A . 27 ARG HG2 1 1 20 8221 1 1 27 ARG HG3 H -12.626 12.108 -8.810 1.00 . A A . 27 ARG HG3 1 1 20 8222 1 1 27 ARG HH11 H -16.703 12.514 -11.049 1.00 . A A . 27 ARG HH11 1 1 20 8223 1 1 27 ARG HH12 H -17.466 13.953 -11.533 1.00 . A A . 27 ARG HH12 1 1 20 8224 1 1 27 ARG HH21 H -14.974 16.110 -10.252 1.00 . A A . 27 ARG HH21 1 1 20 8225 1 1 27 ARG HH22 H -16.478 16.036 -11.063 1.00 . A A . 27 ARG HH22 1 1 20 8226 1 1 27 ARG N N -10.013 12.182 -9.655 1.00 . A A . 27 ARG N 1 1 20 8227 1 1 27 ARG NE N -14.634 13.615 -9.998 1.00 . A A . 27 ARG NE 1 1 20 8228 1 1 27 ARG NH1 N -16.682 13.517 -11.086 1.00 . A A . 27 ARG NH1 1 1 20 8229 1 1 27 ARG NH2 N -15.711 15.548 -10.637 1.00 . A A . 27 ARG NH2 1 1 20 8230 1 1 27 ARG O O -9.101 13.639 -11.680 1.00 . A A . 27 ARG O 1 1 20 8231 1 1 28 GLY C C -8.372 12.383 -14.658 1.00 . A A . 28 GLY C 1 1 20 8232 1 1 28 GLY CA C -9.641 13.107 -14.325 1.00 . A A . 28 GLY CA 1 1 20 8233 1 1 28 GLY H H -10.959 11.798 -13.333 1.00 . A A . 28 GLY H 1 1 20 8234 1 1 28 GLY HA2 H -10.312 13.076 -15.171 1.00 . A A . 28 GLY HA2 1 1 20 8235 1 1 28 GLY HA3 H -9.406 14.133 -14.083 1.00 . A A . 28 GLY HA3 1 1 20 8236 1 1 28 GLY N N -10.273 12.483 -13.197 1.00 . A A . 28 GLY N 1 1 20 8237 1 1 28 GLY O O -8.251 11.738 -15.706 1.00 . A A . 28 GLY O 1 1 20 8238 1 1 29 THR C C -6.335 10.512 -13.004 1.00 . A A . 29 THR C 1 1 20 8239 1 1 29 THR CA C -6.222 11.764 -13.879 1.00 . A A . 29 THR CA 1 1 20 8240 1 1 29 THR CB C -5.000 12.680 -13.503 1.00 . A A . 29 THR CB 1 1 20 8241 1 1 29 THR CG2 C -5.115 13.282 -12.098 1.00 . A A . 29 THR CG2 1 1 20 8242 1 1 29 THR H H -7.622 12.982 -12.950 1.00 . A A . 29 THR H 1 1 20 8243 1 1 29 THR HA H -6.139 11.447 -14.909 1.00 . A A . 29 THR HA 1 1 20 8244 1 1 29 THR HB H -4.982 13.486 -14.224 1.00 . A A . 29 THR HB 1 1 20 8245 1 1 29 THR HG1 H -3.555 11.567 -12.783 1.00 . A A . 29 THR HG1 1 1 20 8246 1 1 29 THR HG21 H -5.175 12.484 -11.371 1.00 . A A . 29 THR HG21 1 1 20 8247 1 1 29 THR HG22 H -6.006 13.890 -12.037 1.00 . A A . 29 THR HG22 1 1 20 8248 1 1 29 THR HG23 H -4.248 13.892 -11.895 1.00 . A A . 29 THR HG23 1 1 20 8249 1 1 29 THR N N -7.446 12.459 -13.763 1.00 . A A . 29 THR N 1 1 20 8250 1 1 29 THR O O -6.520 10.599 -11.782 1.00 . A A . 29 THR O 1 1 20 8251 1 1 29 THR OG1 O -3.762 11.976 -13.634 1.00 . A A . 29 THR OG1 1 1 20 8252 1 1 30 ASN C C -5.217 7.377 -12.760 1.00 . A A . 30 ASN C 1 1 20 8253 1 1 30 ASN CA C -6.521 8.114 -12.940 1.00 . A A . 30 ASN CA 1 1 20 8254 1 1 30 ASN CB C -7.535 7.206 -13.680 1.00 . A A . 30 ASN CB 1 1 20 8255 1 1 30 ASN CG C -8.977 7.716 -13.645 1.00 . A A . 30 ASN CG 1 1 20 8256 1 1 30 ASN H H -6.124 9.345 -14.600 1.00 . A A . 30 ASN H 1 1 20 8257 1 1 30 ASN HA H -6.928 8.351 -11.969 1.00 . A A . 30 ASN HA 1 1 20 8258 1 1 30 ASN HB2 H -7.239 7.125 -14.715 1.00 . A A . 30 ASN HB2 1 1 20 8259 1 1 30 ASN HB3 H -7.509 6.223 -13.234 1.00 . A A . 30 ASN HB3 1 1 20 8260 1 1 30 ASN HD21 H -9.661 5.864 -13.737 1.00 . A A . 30 ASN HD21 1 1 20 8261 1 1 30 ASN HD22 H -10.853 7.109 -13.610 1.00 . A A . 30 ASN HD22 1 1 20 8262 1 1 30 ASN N N -6.313 9.367 -13.637 1.00 . A A . 30 ASN N 1 1 20 8263 1 1 30 ASN ND2 N -9.921 6.810 -13.679 1.00 . A A . 30 ASN ND2 1 1 20 8264 1 1 30 ASN O O -4.625 6.921 -13.742 1.00 . A A . 30 ASN O 1 1 20 8265 1 1 30 ASN OD1 O -9.243 8.921 -13.599 1.00 . A A . 30 ASN OD1 1 1 20 8266 1 1 31 PRO C C -3.776 5.030 -11.248 1.00 . A A . 31 PRO C 1 1 20 8267 1 1 31 PRO CA C -3.511 6.535 -11.213 1.00 . A A . 31 PRO CA 1 1 20 8268 1 1 31 PRO CB C -3.127 6.977 -9.787 1.00 . A A . 31 PRO CB 1 1 20 8269 1 1 31 PRO CD C -5.290 7.909 -10.310 1.00 . A A . 31 PRO CD 1 1 20 8270 1 1 31 PRO CG C -4.119 8.021 -9.380 1.00 . A A . 31 PRO CG 1 1 20 8271 1 1 31 PRO HA H -2.718 6.777 -11.905 1.00 . A A . 31 PRO HA 1 1 20 8272 1 1 31 PRO HB2 H -3.169 6.121 -9.129 1.00 . A A . 31 PRO HB2 1 1 20 8273 1 1 31 PRO HB3 H -2.122 7.372 -9.795 1.00 . A A . 31 PRO HB3 1 1 20 8274 1 1 31 PRO HD2 H -6.067 7.298 -9.874 1.00 . A A . 31 PRO HD2 1 1 20 8275 1 1 31 PRO HD3 H -5.666 8.897 -10.532 1.00 . A A . 31 PRO HD3 1 1 20 8276 1 1 31 PRO HG2 H -4.438 7.842 -8.364 1.00 . A A . 31 PRO HG2 1 1 20 8277 1 1 31 PRO HG3 H -3.672 9.001 -9.455 1.00 . A A . 31 PRO HG3 1 1 20 8278 1 1 31 PRO N N -4.719 7.281 -11.515 1.00 . A A . 31 PRO N 1 1 20 8279 1 1 31 PRO O O -4.285 4.482 -10.252 1.00 . A A . 31 PRO O 1 1 20 8280 1 1 31 PRO OXT O -3.503 4.381 -12.276 1.00 . A A . 31 PRO OXT 1 1 stop_ save_
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