NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
616045 | 5lah | 34008 | cing | 4-filtered-FRED | STAR | entry | full | 438 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5lah # This FRED archive file contains, for PDB entry <5lah>: # # - 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_5lah _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5lah _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 4770.08 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 $tau_AnmTx_Ueq_12_1 A . 1 1 stop_ save_ save_tau_AnmTx_Ueq_12_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "tau AnmTx Ueq 12 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CYPGQPGCGHCSRPNYCEGARCESGFHDCGSDHWCDASGDRCCCA _Entity.Number_of_monomers 45 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 CYS . 1 1 2 TYR . 1 1 3 PRO . 1 1 4 GLY . 1 1 5 GLN . 1 1 6 PRO . 1 1 7 GLY . 1 1 8 CYS . 1 1 9 GLY . 1 1 10 HIS . 1 1 11 CYS . 1 1 12 SER . 1 1 13 ARG . 1 1 14 PRO . 1 1 15 ASN . 1 1 16 TYR . 1 1 17 CYS . 1 1 18 GLU . 1 1 19 GLY . 1 1 20 ALA . 1 1 21 ARG . 1 1 22 CYS . 1 1 23 GLU . 1 1 24 SER . 1 1 25 GLY . 1 1 26 PHE . 1 1 27 HIS . 1 1 28 ASP . 1 1 29 CYS . 1 1 30 GLY . 1 1 31 SER . 1 1 32 ASP . 1 1 33 HIS . 1 1 34 TRP . 1 1 35 CYS . 1 1 36 ASP . 1 1 37 ALA . 1 1 38 SER . 1 1 39 GLY . 1 1 40 ASP . 1 1 41 ARG . 1 1 42 CYS . 1 1 43 CYS . 1 1 44 CYS . 1 1 45 ALA . 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 CYS 1 1 1 1 TYR 2 2 1 1 PRO 3 3 1 1 GLY 4 4 1 1 GLN 5 5 1 1 PRO 6 6 1 1 GLY 7 7 1 1 CYS 8 8 1 1 GLY 9 9 1 1 HIS 10 10 1 1 CYS 11 11 1 1 SER 12 12 1 1 ARG 13 13 1 1 PRO 14 14 1 1 ASN 15 15 1 1 TYR 16 16 1 1 CYS 17 17 1 1 GLU 18 18 1 1 GLY 19 19 1 1 ALA 20 20 1 1 ARG 21 21 1 1 CYS 22 22 1 1 GLU 23 23 1 1 SER 24 24 1 1 GLY 25 25 1 1 PHE 26 26 1 1 HIS 27 27 1 1 ASP 28 28 1 1 CYS 29 29 1 1 GLY 30 30 1 1 SER 31 31 1 1 ASP 32 32 1 1 HIS 33 33 1 1 TRP 34 34 1 1 CYS 35 35 1 1 ASP 36 36 1 1 ALA 37 37 1 1 SER 38 38 1 1 GLY 39 39 1 1 ASP 40 40 1 1 ARG 41 41 1 1 CYS 42 42 1 1 CYS 43 43 1 1 CYS 44 44 1 1 ALA 45 45 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 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 39 GLY H . 39 GLY H 1 1 1 1 2 1 1 39 GLY HA2 . 39 GLY HA2 1 1 2 1 1 1 1 39 GLY HA2 . 39 GLY HA2 1 1 2 1 2 1 1 40 ASP H . 40 ASP H 1 1 3 1 1 1 1 9 GLY H . 9 GLY H 1 1 3 1 2 1 1 33 HIS HA . 33 HIS HA 1 1 4 1 1 1 1 33 HIS H . 33 HIS H 1 1 4 1 2 1 1 33 HIS QB . 33 HIS HB2 1 1 5 1 1 1 1 17 CYS HB3 . 17 CYSS HB3 1 1 5 1 2 1 1 18 GLU H . 18 GLU H 1 1 6 1 1 1 1 41 ARG QB . 41 ARG HB3 1 1 6 1 2 1 1 42 CYS H . 42 CYSS H 1 1 7 1 1 1 1 41 ARG H . 41 ARG H 1 1 7 1 2 1 1 41 ARG QB . 41 ARG HB3 1 1 8 1 1 1 1 1 CYS QB . 1 CYSS HB3 1 1 8 1 2 1 1 2 TYR H . 2 TYR H 1 1 9 1 1 1 1 7 GLY HA2 . 7 GLY HA2 1 1 9 1 2 1 1 8 CYS H . 8 CYSS H 1 1 10 1 1 1 1 24 SER QB . 24 SER QB 1 1 10 1 2 1 1 25 GLY H . 25 GLY H 1 1 11 1 1 1 1 24 SER H . 24 SER H 1 1 11 1 2 1 1 24 SER QB . 24 SER QB 1 1 12 1 1 1 1 30 GLY H . 30 GLY H 1 1 12 1 2 1 1 31 SER H . 31 SER H 1 1 13 1 1 1 1 33 HIS HA . 33 HIS HA 1 1 13 1 2 1 1 34 TRP H . 34 TRP H 1 1 14 1 1 1 1 29 CYS H . 29 CYSS H 1 1 14 1 2 1 1 42 CYS H . 42 CYSS H 1 1 15 1 1 1 1 19 GLY QA . 19 GLY HA2 1 1 15 1 2 1 1 20 ALA H . 20 ALA H 1 1 16 1 1 1 1 2 TYR H . 2 TYR H 1 1 16 1 2 1 1 15 ASN QD . 15 ASN HD21 1 1 17 1 1 1 1 30 GLY QA . 30 GLY HA2 1 1 17 1 2 1 1 33 HIS H . 33 HIS H 1 1 18 1 1 1 1 30 GLY H . 30 GLY H 1 1 18 1 2 1 1 30 GLY QA . 30 GLY HA2 1 1 19 1 1 1 1 23 GLU H . 23 GLU H 1 1 19 1 2 1 1 26 PHE H . 26 PHE H 1 1 20 1 1 1 1 27 HIS H . 27 HIS H 1 1 20 1 2 1 1 44 CYS H . 44 CYSS H 1 1 21 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 21 1 2 1 1 27 HIS H . 27 HIS H 1 1 22 1 1 1 1 27 HIS H . 27 HIS H 1 1 22 1 2 1 1 27 HIS HB3 . 27 HIS HB3 1 1 23 1 1 1 1 27 HIS HB3 . 27 HIS HB3 1 1 23 1 2 1 1 28 ASP H . 28 ASP H 1 1 24 1 1 1 1 35 CYS HA . 35 CYSS HA 1 1 24 1 2 1 1 36 ASP H . 36 ASP H 1 1 25 1 1 1 1 37 ALA MB . 37 ALA QB 1 1 25 1 2 1 1 39 GLY H . 39 GLY H 1 1 26 1 1 1 1 37 ALA H . 37 ALA H 1 1 26 1 2 1 1 37 ALA MB . 37 ALA QB 1 1 27 1 1 1 1 37 ALA MB . 37 ALA QB 1 1 27 1 2 1 1 38 SER H . 38 SER H 1 1 28 1 1 1 1 37 ALA MB . 37 ALA QB 1 1 28 1 2 1 1 40 ASP H . 40 ASP H 1 1 29 1 1 1 1 16 TYR QB . 16 TYR QB 1 1 29 1 2 1 1 17 CYS H . 17 CYSS H 1 1 30 1 1 1 1 16 TYR H . 16 TYR H 1 1 30 1 2 1 1 16 TYR QB . 16 TYR QB 1 1 31 1 1 1 1 27 HIS H . 27 HIS H 1 1 31 1 2 1 1 27 HIS HB2 . 27 HIS HB2 1 1 32 1 1 1 1 27 HIS HB2 . 27 HIS HB2 1 1 32 1 2 1 1 28 ASP H . 28 ASP H 1 1 33 1 1 1 1 27 HIS HA . 27 HIS HA 1 1 33 1 2 1 1 28 ASP H . 28 ASP H 1 1 34 1 1 1 1 9 GLY HA2 . 9 GLY HA2 1 1 34 1 2 1 1 10 HIS H . 10 HIS H 1 1 35 1 1 1 1 11 CYS H . 11 CYSS H 1 1 35 1 2 1 1 12 SER H . 12 SER H 1 1 36 1 1 1 1 11 CYS H . 11 CYSS H 1 1 36 1 2 1 1 26 PHE H . 26 PHE H 1 1 37 1 1 1 1 39 GLY H . 39 GLY H 1 1 37 1 2 1 1 40 ASP H . 40 ASP H 1 1 38 1 1 1 1 14 PRO HA . 14 PRO HA 1 1 38 1 2 1 1 15 ASN H . 15 ASN H 1 1 39 1 1 1 1 31 SER H . 31 SER H 1 1 39 1 2 1 1 32 ASP H . 32 ASP H 1 1 40 1 1 1 1 43 CYS HB2 . 43 CYSS HB2 1 1 40 1 2 1 1 44 CYS H . 44 CYSS H 1 1 41 1 1 1 1 43 CYS H . 43 CYSS H 1 1 41 1 2 1 1 43 CYS HB2 . 43 CYSS HB2 1 1 42 1 1 1 1 16 TYR H . 16 TYR H 1 1 42 1 2 1 1 43 CYS HB2 . 43 CYSS HB2 1 1 43 1 1 1 1 6 PRO HA . 6 PRO HA 1 1 43 1 2 1 1 7 GLY H . 7 GLY H 1 1 44 1 1 1 1 36 ASP HB2 . 36 ASP HB2 1 1 44 1 2 1 1 37 ALA H . 37 ALA H 1 1 45 1 1 1 1 8 CYS QB . 8 CYSS HB2 1 1 45 1 2 1 1 9 GLY H . 9 GLY H 1 1 46 1 1 1 1 36 ASP H . 36 ASP H 1 1 46 1 2 1 1 36 ASP HB2 . 36 ASP HB2 1 1 47 1 1 1 1 28 ASP QB . 28 ASP HB2 1 1 47 1 2 1 1 29 CYS H . 29 CYSS H 1 1 48 1 1 1 1 28 ASP H . 28 ASP H 1 1 48 1 2 1 1 28 ASP QB . 28 ASP HB2 1 1 49 1 1 1 1 17 CYS HA . 17 CYSS HA 1 1 49 1 2 1 1 43 CYS H . 43 CYSS H 1 1 50 1 1 1 1 17 CYS HA . 17 CYSS HA 1 1 50 1 2 1 1 18 GLU H . 18 GLU H 1 1 51 1 1 1 1 35 CYS H . 35 CYSS H 1 1 51 1 2 1 1 35 CYS QB . 35 CYSS HB3 1 1 52 1 1 1 1 35 CYS QB . 35 CYSS HB3 1 1 52 1 2 1 1 36 ASP H . 36 ASP H 1 1 53 1 1 1 1 42 CYS H . 42 CYSS H 1 1 53 1 2 1 1 42 CYS QB . 42 CYSS HB2 1 1 54 1 1 1 1 42 CYS QB . 42 CYSS HB2 1 1 54 1 2 1 1 43 CYS H . 43 CYSS H 1 1 55 1 1 1 1 4 GLY HA3 . 4 GLY HA3 1 1 55 1 2 1 1 5 GLN H . 5 GLN H 1 1 56 1 1 1 1 4 GLY H . 4 GLY H 1 1 56 1 2 1 1 4 GLY HA3 . 4 GLY HA3 1 1 57 1 1 1 1 34 TRP HE3 . 34 TRP HE3 1 1 57 1 2 1 1 35 CYS H . 35 CYSS H 1 1 58 1 1 1 1 36 ASP H . 36 ASP H 1 1 58 1 2 1 1 36 ASP HB3 . 36 ASP HB3 1 1 59 1 1 1 1 15 ASN H . 15 ASN H 1 1 59 1 2 1 1 15 ASN QB . 15 ASN HB3 1 1 60 1 1 1 1 15 ASN QB . 15 ASN HB3 1 1 60 1 2 1 1 29 CYS H . 29 CYSS H 1 1 61 1 1 1 1 15 ASN QB . 15 ASN HB3 1 1 61 1 2 1 1 16 TYR H . 16 TYR H 1 1 62 1 1 1 1 7 GLY H . 7 GLY H 1 1 62 1 2 1 1 8 CYS H . 8 CYSS H 1 1 63 1 1 1 1 20 ALA HA . 20 ALA HA 1 1 63 1 2 1 1 21 ARG H . 21 ARG H 1 1 64 1 1 1 1 9 GLY HA3 . 9 GLY HA3 1 1 64 1 2 1 1 10 HIS H . 10 HIS H 1 1 65 1 1 1 1 9 GLY H . 9 GLY H 1 1 65 1 2 1 1 9 GLY HA3 . 9 GLY HA3 1 1 66 1 1 1 1 22 CYS H . 22 CYSS H 1 1 66 1 2 1 1 22 CYS QB . 22 CYSS HB3 1 1 67 1 1 1 1 22 CYS QB . 22 CYSS HB3 1 1 67 1 2 1 1 23 GLU H . 23 GLU H 1 1 68 1 1 1 1 11 CYS H . 11 CYSS H 1 1 68 1 2 1 1 11 CYS QB . 11 CYSS HB3 1 1 69 1 1 1 1 11 CYS QB . 11 CYSS HB3 1 1 69 1 2 1 1 12 SER H . 12 SER H 1 1 70 1 1 1 1 12 SER HA . 12 SER HA 1 1 70 1 2 1 1 13 ARG H . 13 ARG H 1 1 71 1 1 1 1 40 ASP HB3 . 40 ASP HB3 1 1 71 1 2 1 1 41 ARG H . 41 ARG H 1 1 72 1 1 1 1 7 GLY H . 7 GLY H 1 1 72 1 2 1 1 7 GLY HA3 . 7 GLY HA3 1 1 73 1 1 1 1 7 GLY HA3 . 7 GLY HA3 1 1 73 1 2 1 1 8 CYS H . 8 CYSS H 1 1 74 1 1 1 1 32 ASP H . 32 ASP H 1 1 74 1 2 1 1 33 HIS H . 33 HIS H 1 1 75 1 1 1 1 29 CYS H . 29 CYSS H 1 1 75 1 2 1 1 44 CYS H . 44 CYSS H 1 1 76 1 1 1 1 30 GLY H . 30 GLY H 1 1 76 1 2 1 1 41 ARG QH1 . 41 ARG QH1 1 1 77 1 1 1 1 18 GLU QB . 18 GLU QB 1 1 77 1 2 1 1 20 ALA H . 20 ALA H 1 1 78 1 1 1 1 30 GLY QA . 30 GLY HA3 1 1 78 1 2 1 1 42 CYS H . 42 CYSS H 1 1 79 1 1 1 1 41 ARG HA . 41 ARG HA 1 1 79 1 2 1 1 42 CYS H . 42 CYSS H 1 1 80 1 1 1 1 41 ARG H . 41 ARG H 1 1 80 1 2 1 1 41 ARG HA . 41 ARG HA 1 1 81 1 1 1 1 2 TYR H . 2 TYR H 1 1 81 1 2 1 1 5 GLN HG2 . 5 GLN HG2 1 1 82 1 1 1 1 5 GLN H . 5 GLN H 1 1 82 1 2 1 1 5 GLN HG2 . 5 GLN HG2 1 1 83 1 1 1 1 31 SER H . 31 SER H 1 1 83 1 2 1 1 31 SER QB . 31 SER QB 1 1 84 1 1 1 1 31 SER QB . 31 SER QB 1 1 84 1 2 1 1 32 ASP H . 32 ASP H 1 1 85 1 1 1 1 13 ARG HA . 13 ARG HA 1 1 85 1 2 1 1 41 ARG H . 41 ARG H 1 1 86 1 1 1 1 26 PHE H . 26 PHE H 1 1 86 1 2 1 1 26 PHE HB2 . 26 PHE HB2 1 1 87 1 1 1 1 26 PHE HB2 . 26 PHE HB2 1 1 87 1 2 1 1 27 HIS H . 27 HIS H 1 1 88 1 1 1 1 23 GLU H . 23 GLU H 1 1 88 1 2 1 1 26 PHE HB2 . 26 PHE HB2 1 1 89 1 1 1 1 45 ALA H . 45 ALA H 1 1 89 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 90 1 1 1 1 21 ARG HB3 . 21 ARG HB3 1 1 90 1 2 1 1 22 CYS H . 22 CYSS H 1 1 91 1 1 1 1 21 ARG H . 21 ARG H 1 1 91 1 2 1 1 21 ARG HB3 . 21 ARG HB3 1 1 92 1 1 1 1 8 CYS H . 8 CYSS H 1 1 92 1 2 1 1 8 CYS QB . 8 CYSS HB2 1 1 93 1 1 1 1 2 TYR H . 2 TYR H 1 1 93 1 2 1 1 2 TYR QB . 2 TYR HB3 1 1 94 1 1 1 1 34 TRP HA . 34 TRP HA 1 1 94 1 2 1 1 35 CYS H . 35 CYSS H 1 1 95 1 1 1 1 16 TYR H . 16 TYR H 1 1 95 1 2 1 1 43 CYS H . 43 CYSS H 1 1 96 1 1 1 1 18 GLU QG . 18 GLU QG 1 1 96 1 2 1 1 20 ALA H . 20 ALA H 1 1 97 1 1 1 1 26 PHE HB3 . 26 PHE HB3 1 1 97 1 2 1 1 27 HIS H . 27 HIS H 1 1 98 1 1 1 1 26 PHE HB3 . 26 PHE HB3 1 1 98 1 2 1 1 44 CYS H . 44 CYSS H 1 1 99 1 1 1 1 29 CYS H . 29 CYSS H 1 1 99 1 2 1 1 30 GLY H . 30 GLY H 1 1 100 1 1 1 1 2 TYR H . 2 TYR H 1 1 100 1 2 1 1 5 GLN QB . 5 GLN QB 1 1 101 1 1 1 1 5 GLN H . 5 GLN H 1 1 101 1 2 1 1 5 GLN QB . 5 GLN QB 1 1 102 1 1 1 1 23 GLU HA . 23 GLU HA 1 1 102 1 2 1 1 24 SER H . 24 SER H 1 1 103 1 1 1 1 18 GLU HA . 18 GLU HA 1 1 103 1 2 1 1 19 GLY H . 19 GLY H 1 1 104 1 1 1 1 15 ASN H . 15 ASN H 1 1 104 1 2 1 1 15 ASN QD . 15 ASN HD21 1 1 105 1 1 1 1 36 ASP HA . 36 ASP HA 1 1 105 1 2 1 1 37 ALA H . 37 ALA H 1 1 106 1 1 1 1 40 ASP HA . 40 ASP HA 1 1 106 1 2 1 1 41 ARG H . 41 ARG H 1 1 107 1 1 1 1 16 TYR HA . 16 TYR HA 1 1 107 1 2 1 1 17 CYS H . 17 CYSS H 1 1 108 1 1 1 1 34 TRP QB . 34 TRP HB2 1 1 108 1 2 1 1 35 CYS H . 35 CYSS H 1 1 109 1 1 1 1 13 ARG H . 13 ARG H 1 1 109 1 2 1 1 13 ARG HG2 . 13 ARG HG2 1 1 110 1 1 1 1 3 PRO HA . 3 PRO HA 1 1 110 1 2 1 1 5 GLN H . 5 GLN H 1 1 111 1 1 1 1 3 PRO HA . 3 PRO HA 1 1 111 1 2 1 1 4 GLY H . 4 GLY H 1 1 112 1 1 1 1 6 PRO HB2 . 6 PRO HB2 1 1 112 1 2 1 1 7 GLY H . 7 GLY H 1 1 113 1 1 1 1 21 ARG HA . 21 ARG HA 1 1 113 1 2 1 1 22 CYS H . 22 CYSS H 1 1 114 1 1 1 1 26 PHE HA . 26 PHE HA 1 1 114 1 2 1 1 27 HIS H . 27 HIS H 1 1 115 1 1 1 1 4 GLY HA2 . 4 GLY HA2 1 1 115 1 2 1 1 5 GLN H . 5 GLN H 1 1 116 1 1 1 1 21 ARG H . 21 ARG H 1 1 116 1 2 1 1 21 ARG HB2 . 21 ARG HB2 1 1 117 1 1 1 1 38 SER H . 38 SER H 1 1 117 1 2 1 1 38 SER QB . 38 SER QB 1 1 118 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 118 1 2 1 1 12 SER H . 12 SER H 1 1 119 1 1 1 1 39 GLY H . 39 GLY H 1 1 119 1 2 1 1 39 GLY HA3 . 39 GLY HA3 1 1 120 1 1 1 1 39 GLY HA3 . 39 GLY HA3 1 1 120 1 2 1 1 40 ASP H . 40 ASP H 1 1 121 1 1 1 1 40 ASP HB2 . 40 ASP HB2 1 1 121 1 2 1 1 41 ARG H . 41 ARG H 1 1 122 1 1 1 1 40 ASP H . 40 ASP H 1 1 122 1 2 1 1 40 ASP HB2 . 40 ASP HB2 1 1 123 1 1 1 1 44 CYS HA . 44 CYSS HA 1 1 123 1 2 1 1 45 ALA H . 45 ALA H 1 1 124 1 1 1 1 28 ASP HA . 28 ASP HA 1 1 124 1 2 1 1 44 CYS H . 44 CYSS H 1 1 125 1 1 1 1 28 ASP HA . 28 ASP HA 1 1 125 1 2 1 1 29 CYS H . 29 CYSS H 1 1 126 1 1 1 1 32 ASP HA . 32 ASP HA 1 1 126 1 2 1 1 33 HIS H . 33 HIS H 1 1 127 1 1 1 1 24 SER HA . 24 SER HA 1 1 127 1 2 1 1 25 GLY H . 25 GLY H 1 1 128 1 1 1 1 31 SER HA . 31 SER HA 1 1 128 1 2 1 1 32 ASP H . 32 ASP H 1 1 129 1 1 1 1 42 CYS H . 42 CYSS H 1 1 129 1 2 1 1 42 CYS HA . 42 CYSS HA 1 1 130 1 1 1 1 42 CYS HA . 42 CYSS HA 1 1 130 1 2 1 1 43 CYS H . 43 CYSS H 1 1 131 1 1 1 1 27 HIS H . 27 HIS H 1 1 131 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 132 1 1 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 132 1 2 1 1 44 CYS H . 44 CYSS H 1 1 133 1 1 1 1 43 CYS H . 43 CYSS H 1 1 133 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 134 1 1 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 134 1 2 1 1 44 CYS H . 44 CYSS H 1 1 135 1 1 1 1 29 CYS H . 29 CYSS H 1 1 135 1 2 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 136 1 1 1 1 34 TRP H . 34 TRP H 1 1 136 1 2 1 1 34 TRP QB . 34 TRP HB3 1 1 137 1 1 1 1 5 GLN H . 5 GLN H 1 1 137 1 2 1 1 8 CYS QB . 8 CYSS HB3 1 1 138 1 1 1 1 25 GLY HA3 . 25 GLY HA3 1 1 138 1 2 1 1 26 PHE H . 26 PHE H 1 1 139 1 1 1 1 25 GLY H . 25 GLY H 1 1 139 1 2 1 1 25 GLY HA3 . 25 GLY HA3 1 1 140 1 1 1 1 41 ARG H . 41 ARG H 1 1 140 1 2 1 1 41 ARG HG2 . 41 ARG HG2 1 1 141 1 1 1 1 43 CYS HA . 43 CYSS HA 1 1 141 1 2 1 1 44 CYS H . 44 CYSS H 1 1 142 1 1 1 1 43 CYS H . 43 CYSS H 1 1 142 1 2 1 1 43 CYS HA . 43 CYSS HA 1 1 143 1 1 1 1 14 PRO QD . 14 PRO QD 1 1 143 1 2 1 1 15 ASN H . 15 ASN H 1 1 144 1 1 1 1 29 CYS HA . 29 CYSS HA 1 1 144 1 2 1 1 31 SER H . 31 SER H 1 1 145 1 1 1 1 29 CYS HA . 29 CYSS HA 1 1 145 1 2 1 1 30 GLY H . 30 GLY H 1 1 146 1 1 1 1 10 HIS H . 10 HIS H 1 1 146 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 147 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 147 1 2 1 1 17 CYS H . 17 CYSS H 1 1 148 1 1 1 1 16 TYR H . 16 TYR H 1 1 148 1 2 1 1 16 TYR QD . 16 TYR QD 1 1 149 1 1 1 1 22 CYS HA . 22 CYSS HA 1 1 149 1 2 1 1 23 GLU H . 23 GLU H 1 1 150 1 1 1 1 38 SER HA . 38 SER HA 1 1 150 1 2 1 1 39 GLY H . 39 GLY H 1 1 151 1 1 1 1 38 SER HA . 38 SER HA 1 1 151 1 2 1 1 40 ASP H . 40 ASP H 1 1 152 1 1 1 1 1 CYS HA . 1 CYSS HA 1 1 152 1 2 1 1 2 TYR H . 2 TYR H 1 1 153 1 1 1 1 5 GLN H . 5 GLN H 1 1 153 1 2 1 1 5 GLN HG3 . 5 GLN HG3 1 1 154 1 1 1 1 17 CYS H . 17 CYSS H 1 1 154 1 2 1 1 17 CYS HB2 . 17 CYSS HB2 1 1 155 1 1 1 1 10 HIS HA . 10 HIS HA 1 1 155 1 2 1 1 11 CYS H . 11 CYSS H 1 1 156 1 1 1 1 27 HIS H . 27 HIS H 1 1 156 1 2 1 1 44 CYS QB . 44 CYSS HB2 1 1 157 1 1 1 1 44 CYS H . 44 CYSS H 1 1 157 1 2 1 1 44 CYS QB . 44 CYSS HB2 1 1 158 1 1 1 1 36 ASP HB3 . 36 ASP HB3 1 1 158 1 2 1 1 37 ALA H . 37 ALA H 1 1 159 1 1 1 1 37 ALA HA . 37 ALA HA 1 1 159 1 2 1 1 38 SER H . 38 SER H 1 1 160 1 1 1 1 13 ARG H . 13 ARG H 1 1 160 1 2 1 1 13 ARG HB2 . 13 ARG HB2 1 1 161 1 1 1 1 4 GLY H . 4 GLY H 1 1 161 1 2 1 1 5 GLN H . 5 GLN H 1 1 162 1 1 1 1 8 CYS HA . 8 CYSS HA 1 1 162 1 2 1 1 9 GLY H . 9 GLY H 1 1 163 1 1 1 1 20 ALA H . 20 ALA H 1 1 163 1 2 1 1 20 ALA MB . 20 ALA QB 1 1 164 1 1 1 1 20 ALA MB . 20 ALA QB 1 1 164 1 2 1 1 21 ARG H . 21 ARG H 1 1 165 1 1 1 1 44 CYS QB . 44 CYSS HB3 1 1 165 1 2 1 1 45 ALA H . 45 ALA H 1 1 166 1 1 1 1 28 ASP H . 28 ASP H 1 1 166 1 2 1 1 44 CYS QB . 44 CYSS HB3 1 1 167 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 167 1 2 1 1 23 GLU H . 23 GLU H 1 1 168 1 1 1 1 20 ALA H . 20 ALA H 1 1 168 1 2 1 1 21 ARG H . 21 ARG H 1 1 169 1 1 1 1 2 TYR H . 2 TYR H 1 1 169 1 2 1 1 15 ASN QB . 15 ASN HB2 1 1 170 1 1 1 1 23 GLU QG . 23 GLU QG 1 1 170 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 171 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 171 1 2 1 1 26 PHE HZ . 26 PHE HZ 1 1 172 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 172 1 2 1 1 45 ALA HA . 45 ALA HA 1 1 173 1 1 1 1 29 CYS HB2 . 29 CYSS HB2 1 1 173 1 2 1 1 33 HIS HE1 . 33 HIS HE1 1 1 174 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 174 1 2 1 1 26 PHE HB2 . 26 PHE HB2 1 1 175 1 1 1 1 17 CYS HA . 17 CYSS HA 1 1 175 1 2 1 1 42 CYS HA . 42 CYSS HA 1 1 176 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 176 1 2 1 1 23 GLU QG . 23 GLU QG 1 1 177 1 1 1 1 2 TYR HA . 2 TYR HA 1 1 177 1 2 1 1 3 PRO QD . 3 PRO HD3 1 1 178 1 1 1 1 37 ALA MB . 37 ALA QB 1 1 178 1 2 1 1 40 ASP HB2 . 40 ASP HB2 1 1 179 1 1 1 1 23 GLU QB . 23 GLU QB 1 1 179 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 180 1 1 1 1 15 ASN HA . 15 ASN HA 1 1 180 1 2 1 1 44 CYS HA . 44 CYSS HA 1 1 181 1 1 1 1 9 GLY QA . 9 GLY QA 1 1 181 1 2 1 1 34 TRP HH2 . 34 TRP HH2 1 1 182 1 1 1 1 35 CYS QB . 35 CYSS HB3 1 1 182 1 2 1 1 40 ASP HB2 . 40 ASP HB2 1 1 183 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 183 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 184 1 1 1 1 14 PRO HB2 . 14 PRO HB2 1 1 184 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 185 1 1 1 1 14 PRO HG3 . 14 PRO HG3 1 1 185 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 186 1 1 1 1 26 PHE HZ . 26 PHE HZ 1 1 186 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 187 1 1 1 1 14 PRO HG2 . 14 PRO HG2 1 1 187 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 188 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 188 1 2 1 1 45 ALA MB . 45 ALA QB 1 1 189 1 1 1 1 27 HIS HD2 . 27 HIS HD2 1 1 189 1 2 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 190 1 1 1 1 8 CYS QB . 8 CYSS HB3 1 1 190 1 2 1 1 34 TRP HD1 . 34 TRP HD1 1 1 191 1 1 1 1 29 CYS HB3 . 29 CYSS HB3 1 1 191 1 2 1 1 44 CYS QB . 44 CYSS HB2 1 1 192 1 1 1 1 22 CYS QB . 22 CYSS HB2 1 1 192 1 2 1 1 27 HIS HA . 27 HIS HA 1 1 193 1 1 1 1 26 PHE HB3 . 26 PHE HB3 1 1 193 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 194 1 1 1 1 11 CYS QB . 11 CYSS HB2 1 1 194 1 2 1 1 42 CYS QB . 42 CYSS HB2 1 1 195 1 1 1 1 11 CYS QB . 11 CYSS HB2 1 1 195 1 2 1 1 33 HIS QB . 33 HIS HB3 1 1 196 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 196 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 197 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 197 1 2 1 1 44 CYS HA . 44 CYSS HA 1 1 198 1 1 1 1 5 GLN HG2 . 5 GLN HG2 1 1 198 1 2 1 1 6 PRO HD3 . 6 PRO HD3 1 1 199 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 199 1 2 1 1 45 ALA HA . 45 ALA HA 1 1 200 1 1 1 1 26 PHE HA . 26 PHE HA 1 1 200 1 2 1 1 45 ALA HA . 45 ALA HA 1 1 201 1 1 1 1 26 PHE HB2 . 26 PHE HB2 1 1 201 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 202 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 202 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 203 1 1 1 1 22 CYS QB . 22 CYSS HB3 1 1 203 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 204 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 204 1 2 1 1 43 CYS HB3 . 43 CYSS HB3 1 1 205 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 205 1 2 1 1 18 GLU HG2 . 18 GLU HG2 1 1 206 1 1 1 1 15 ASN HA . 15 ASN HA 1 1 206 1 2 1 1 16 TYR QD . 16 TYR QD 1 1 207 1 1 1 1 9 GLY HA3 . 9 GLY HA3 1 1 207 1 2 1 1 33 HIS HD2 . 33 HIS HD2 1 1 208 1 1 1 1 2 TYR QD . 2 TYR QD 1 1 208 1 2 1 1 3 PRO QD . 3 PRO HD2 1 1 209 1 1 1 1 19 GLY QA . 19 GLY HA2 1 1 209 1 2 1 1 40 ASP HA . 40 ASP HA 1 1 210 1 1 1 1 18 GLU HG2 . 18 GLU HG2 1 1 210 1 2 1 1 22 CYS HA . 22 CYSS HA 1 1 211 1 1 1 1 3 PRO HA . 3 PRO HA 1 1 211 1 2 1 1 34 TRP HD1 . 34 TRP HD1 1 1 212 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 212 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 213 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 213 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 214 1 1 1 1 5 GLN QB . 5 GLN QB 1 1 214 1 2 1 1 8 CYS QB . 8 CYSS HB3 1 1 215 1 1 1 1 5 GLN QB . 5 GLN QB 1 1 215 1 2 1 1 16 TYR QE . 16 TYR QE 1 1 216 1 1 1 1 5 GLN QB . 5 GLN QB 1 1 216 1 2 1 1 6 PRO HD3 . 6 PRO HD3 1 1 217 1 1 1 1 30 GLY QA . 30 GLY HA3 1 1 217 1 2 1 1 33 HIS HD2 . 33 HIS HD2 1 1 218 1 1 1 1 35 CYS QB . 35 CYSS HB3 1 1 218 1 2 1 1 40 ASP HB3 . 40 ASP HB3 1 1 219 1 1 1 1 8 CYS HA . 8 CYSS HA 1 1 219 1 2 1 1 32 ASP HA . 32 ASP HA 1 1 220 1 1 1 1 5 GLN HA . 5 GLN HA 1 1 220 1 2 1 1 6 PRO HD2 . 6 PRO HD2 1 1 221 1 1 1 1 5 GLN HA . 5 GLN HA 1 1 221 1 2 1 1 6 PRO HB3 . 6 PRO HB3 1 1 222 1 1 1 1 5 GLN HA . 5 GLN HA 1 1 222 1 2 1 1 6 PRO HD3 . 6 PRO HD3 1 1 223 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 223 1 2 1 1 18 GLU QB . 18 GLU QB 1 1 224 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 224 1 2 1 1 41 ARG QB . 41 ARG HB2 1 1 225 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 225 1 2 1 1 15 ASN QB . 15 ASN HB2 1 1 226 1 1 1 1 35 CYS QB . 35 CYSS HB2 1 1 226 1 2 1 1 44 CYS HA . 44 CYSS HA 1 1 227 1 1 1 1 33 HIS QB . 33 HIS HB3 1 1 227 1 2 1 1 33 HIS HD2 . 33 HIS HD2 1 1 228 1 1 1 1 15 ASN QB . 15 ASN HB2 1 1 228 1 2 1 1 33 HIS QB . 33 HIS HB3 1 1 229 1 1 1 1 28 ASP QB . 28 ASP HB2 1 1 229 1 2 1 1 34 TRP QB . 34 TRP HB2 1 1 230 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 230 1 2 1 1 18 GLU HA . 18 GLU HA 1 1 231 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 231 1 2 1 1 43 CYS HB2 . 43 CYSS HB2 1 1 232 1 1 1 1 16 TYR QD . 16 TYR QD 1 1 232 1 2 1 1 43 CYS HB2 . 43 CYSS HB2 1 1 233 1 1 1 1 27 HIS HB2 . 27 HIS HB2 1 1 233 1 2 1 1 27 HIS HD2 . 27 HIS HD2 1 1 234 1 1 1 1 16 TYR QE . 16 TYR QE 1 1 234 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 235 1 1 1 1 28 ASP HA . 28 ASP HA 1 1 235 1 2 1 1 43 CYS HA . 43 CYSS HA 1 1 236 1 1 1 1 29 CYS SG . 29 CYSS SG 1 1 236 1 2 1 1 44 CYS SG . 44 CYSS SG 1 1 237 1 1 1 1 29 CYS SG . 29 CYSS SG 1 1 237 1 2 1 1 44 CYS CB . 44 CYSS CB 1 1 238 1 1 1 1 29 CYS CB . 29 CYSS CB 1 1 238 1 2 1 1 44 CYS SG . 44 CYSS SG 1 1 239 1 1 1 1 22 CYS SG . 22 CYSS SG 1 1 239 1 2 1 1 43 CYS SG . 43 CYSS SG 1 1 240 1 1 1 1 22 CYS SG . 22 CYSS SG 1 1 240 1 2 1 1 43 CYS CB . 43 CYSS CB 1 1 241 1 1 1 1 22 CYS CB . 22 CYSS CB 1 1 241 1 2 1 1 43 CYS SG . 43 CYSS SG 1 1 242 1 1 1 1 1 CYS SG . 1 CYSS SG 1 1 242 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1 243 1 1 1 1 1 CYS SG . 1 CYSS SG 1 1 243 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1 244 1 1 1 1 1 CYS CB . 1 CYSS CB 1 1 244 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1 245 1 1 1 1 11 CYS SG . 11 CYSS SG 1 1 245 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 246 1 1 1 1 11 CYS SG . 11 CYSS SG 1 1 246 1 2 1 1 42 CYS CB . 42 CYSS CB 1 1 247 1 1 1 1 11 CYS CB . 11 CYSS CB 1 1 247 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 248 1 1 1 1 17 CYS SG . 17 CYSS SG 1 1 248 1 2 1 1 35 CYS SG . 35 CYSS SG 1 1 249 1 1 1 1 17 CYS SG . 17 CYSS SG 1 1 249 1 2 1 1 35 CYS CB . 35 CYSS CB 1 1 250 1 1 1 1 17 CYS CB . 17 CYSS CB 1 1 250 1 2 1 1 35 CYS SG . 35 CYSS SG 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2.95 1 1 2 1 . . . . . . . 3.94 1 1 3 1 . . . . . . . 3.2 1 1 4 1 . . . . . . . 3.48 1 1 5 1 . . . . . . . 3.81 1 1 6 1 . . . . . . . 3.68 1 1 7 1 . . . . . . . 3.3 1 1 8 1 . . . . . . . 2.94 1 1 9 1 . . . . . . . 3.89 1 1 10 1 . . . . . . . 3.82 1 1 11 1 . . . . . . . 2.77 1 1 12 1 . . . . . . . 3.25 1 1 13 1 . . . . . . . 2.82 1 1 14 1 . . . . . . . 4.91 1 1 15 1 . . . . . . . 3.7 1 1 16 1 . . . . . . . 3.66 1 1 17 1 . . . . . . . 3.61 1 1 18 1 . . . . . . . 2.76 1 1 19 1 . . . . . . . 3.95 1 1 20 1 . . . . . . . 3.15 1 1 21 1 . . . . . . . 3.73 1 1 22 1 . . . . . . . 3.86 1 1 23 1 . . . . . . . 3.9 1 1 24 1 . . . . . . . 2.61 1 1 25 1 . . . . . . . 3.91 1 1 26 1 . . . . . . . 2.78 1 1 27 1 . . . . . . . 3.43 1 1 28 1 . . . . . . . 3.93 1 1 29 1 . . . . . . . 2.88 1 1 30 1 . . . . . . . 3.32 1 1 31 1 . . . . . . . 3.94 1 1 32 1 . . . . . . . 3.28 1 1 33 1 . . . . . . . 2.66 1 1 34 1 . . . . . . . 2.82 1 1 35 1 . . . . . . . 4.49 1 1 36 1 . . . . . . . 3.64 1 1 37 1 . . . . . . . 3.17 1 1 38 1 . . . . . . . 2.61 1 1 39 1 . . . . . . . 3.28 1 1 40 1 . . . . . . . 4.89 1 1 41 1 . . . . . . . 2.84 1 1 42 1 . . . . . . . 4.0 1 1 43 1 . . . . . . . 2.64 1 1 44 1 . . . . . . . 2.77 1 1 45 1 . . . . . . . 4.04 1 1 46 1 . . . . . . . 3.08 1 1 47 1 . . . . . . . 4.28 1 1 48 1 . . . . . . . 2.83 1 1 49 1 . . . . . . . 3.98 1 1 50 1 . . . . . . . 2.67 1 1 51 1 . . . . . . . 2.87 1 1 52 1 . . . . . . . 3.21 1 1 53 1 . . . . . . . 2.73 1 1 54 1 . . . . . . . 4.29 1 1 55 1 . . . . . . . 4.17 1 1 56 1 . . . . . . . 2.93 1 1 57 1 . . . . . . . 3.8 1 1 58 1 . . . . . . . 3.43 1 1 59 1 . . . . . . . 2.83 1 1 60 1 . . . . . . . 4.9 1 1 61 1 . . . . . . . 3.18 1 1 62 1 . . . . . . . 3.22 1 1 63 1 . . . . . . . 3.76 1 1 64 1 . . . . . . . 3.28 1 1 65 1 . . . . . . . 2.86 1 1 66 1 . . . . . . . 2.92 1 1 67 1 . . . . . . . 3.45 1 1 68 1 . . . . . . . 2.95 1 1 69 1 . . . . . . . 4.08 1 1 70 1 . . . . . . . 2.69 1 1 71 1 . . . . . . . 3.49 1 1 72 1 . . . . . . . 3.07 1 1 73 1 . . . . . . . 3.64 1 1 74 1 . . . . . . . 2.92 1 1 75 1 . . . . . . . 3.39 1 1 76 1 . . . . . . . 3.97 1 1 77 1 . . . . . . . 3.75 1 1 78 1 . . . . . . . 4.06 1 1 79 1 . . . . . . . 2.78 1 1 80 1 . . . . . . . 3.02 1 1 81 1 . . . . . . . 3.53 1 1 82 1 . . . . . . . 3.92 1 1 83 1 . . . . . . . 2.93 1 1 84 1 . . . . . . . 3.63 1 1 85 1 . . . . . . . 3.54 1 1 86 1 . . . . . . . 2.75 1 1 87 1 . . . . . . . 4.21 1 1 88 1 . . . . . . . 3.78 1 1 89 1 . . . . . . . 2.82 1 1 90 1 . . . . . . . 3.27 1 1 91 1 . . . . . . . 3.51 1 1 92 1 . . . . . . . 3.2 1 1 93 1 . . . . . . . 3.08 1 1 94 1 . . . . . . . 2.61 1 1 95 1 . . . . . . . 3.17 1 1 96 1 . . . . . . . 3.11 1 1 97 1 . . . . . . . 3.08 1 1 98 1 . . . . . . . 4.01 1 1 99 1 . . . . . . . 2.81 1 1 100 1 . . . . . . . 3.3 1 1 101 1 . . . . . . . 2.55 1 1 102 1 . . . . . . . 2.72 1 1 103 1 . . . . . . . 2.65 1 1 104 1 . . . . . . . 3.76 1 1 105 1 . . . . . . . 2.86 1 1 106 1 . . . . . . . 2.65 1 1 107 1 . . . . . . . 2.55 1 1 108 1 . . . . . . . 3.11 1 1 109 1 . . . . . . . 3.48 1 1 110 1 . . . . . . . 4.28 1 1 111 1 . . . . . . . 2.73 1 1 112 1 . . . . . . . 4.13 1 1 113 1 . . . . . . . 2.57 1 1 114 1 . . . . . . . 2.79 1 1 115 1 . . . . . . . 3.8 1 1 116 1 . . . . . . . 3.21 1 1 117 1 . . . . . . . 2.83 1 1 118 1 . . . . . . . 2.62 1 1 119 1 . . . . . . . 2.82 1 1 120 1 . . . . . . . 3.73 1 1 121 1 . . . . . . . 4.65 1 1 122 1 . . . . . . . 2.86 1 1 123 1 . . . . . . . 2.61 1 1 124 1 . . . . . . . 4.59 1 1 125 1 . . . . . . . 2.6 1 1 126 1 . . . . . . . 3.74 1 1 127 1 . . . . . . . 2.68 1 1 128 1 . . . . . . . 4.2 1 1 129 1 . . . . . . . 3.12 1 1 130 1 . . . . . . . 2.5 1 1 131 1 . . . . . . . 4.78 1 1 132 1 . . . . . . . 3.97 1 1 133 1 . . . . . . . 3.64 1 1 134 1 . . . . . . . 4.55 1 1 135 1 . . . . . . . 3.99 1 1 136 1 . . . . . . . 3.37 1 1 137 1 . . . . . . . 3.85 1 1 138 1 . . . . . . . 3.64 1 1 139 1 . . . . . . . 2.92 1 1 140 1 . . . . . . . 3.18 1 1 141 1 . . . . . . . 2.64 1 1 142 1 . . . . . . . 3.06 1 1 143 1 . . . . . . . 3.64 1 1 144 1 . . . . . . . 3.88 1 1 145 1 . . . . . . . 3.47 1 1 146 1 . . . . . . . 2.78 1 1 147 1 . . . . . . . 3.68 1 1 148 1 . . . . . . . 3.25 1 1 149 1 . . . . . . . 2.58 1 1 150 1 . . . . . . . 2.8 1 1 151 1 . . . . . . . 3.98 1 1 152 1 . . . . . . . 3.02 1 1 153 1 . . . . . . . 3.68 1 1 154 1 . . . . . . . 2.67 1 1 155 1 . . . . . . . 2.59 1 1 156 1 . . . . . . . 4.12 1 1 157 1 . . . . . . . 2.97 1 1 158 1 . . . . . . . 3.36 1 1 159 1 . . . . . . . 2.63 1 1 160 1 . . . . . . . 2.62 1 1 161 1 . . . . . . . 3.05 1 1 162 1 . . . . . . . 2.78 1 1 163 1 . . . . . . . 2.92 1 1 164 1 . . . . . . . 2.73 1 1 165 1 . . . . . . . 3.26 1 1 166 1 . . . . . . . 4.32 1 1 167 1 . . . . . . . 3.84 1 1 168 1 . . . . . . . 3.83 1 1 169 1 . . . . . . . 3.34 1 1 170 1 . . . . . . . 3.98 1 1 171 1 . . . . . . . 4.78 1 1 172 1 . . . . . . . 4.24 1 1 173 1 . . . . . . . 3.23 1 1 174 1 . . . . . . . 3.99 1 1 175 1 . . . . . . . 3.42 1 1 176 1 . . . . . . . 3.37 1 1 177 1 . . . . . . . 2.6 1 1 178 1 . . . . . . . 3.14 1 1 179 1 . . . . . . . 3.8 1 1 180 1 . . . . . . . 3.16 1 1 181 1 . . . . . . . 3.02 1 1 182 1 . . . . . . . 2.57 1 1 183 1 . . . . . . . 3.67 1 1 184 1 . . . . . . . 3.28 1 1 185 1 . . . . . . . 3.04 1 1 186 1 . . . . . . . 3.64 1 1 187 1 . . . . . . . 3.54 1 1 188 1 . . . . . . . 3.16 1 1 189 1 . . . . . . . 3.69 1 1 190 1 . . . . . . . 3.56 1 1 191 1 . . . . . . . 2.9 1 1 192 1 . . . . . . . 4.07 1 1 193 1 . . . . . . . 2.57 1 1 194 1 . . . . . . . 2.73 1 1 195 1 . . . . . . . 3.13 1 1 196 1 . . . . . . . 3.6 1 1 197 1 . . . . . . . 3.72 1 1 198 1 . . . . . . . 4.12 1 1 199 1 . . . . . . . 3.66 1 1 200 1 . . . . . . . 3.19 1 1 201 1 . . . . . . . 3.23 1 1 202 1 . . . . . . . 3.43 1 1 203 1 . . . . . . . 2.91 1 1 204 1 . . . . . . . 3.67 1 1 205 1 . . . . . . . 3.43 1 1 206 1 . . . . . . . 4.23 1 1 207 1 . . . . . . . 4.08 1 1 208 1 . . . . . . . 3.94 1 1 209 1 . . . . . . . 2.9 1 1 210 1 . . . . . . . 2.99 1 1 211 1 . . . . . . . 3.81 1 1 212 1 . . . . . . . 3.39 1 1 213 1 . . . . . . . 3.35 1 1 214 1 . . . . . . . 3.29 1 1 215 1 . . . . . . . 3.3 1 1 216 1 . . . . . . . 3.06 1 1 217 1 . . . . . . . 3.34 1 1 218 1 . . . . . . . 3.4 1 1 219 1 . . . . . . . 3.74 1 1 220 1 . . . . . . . 2.44 1 1 221 1 . . . . . . . 4.92 1 1 222 1 . . . . . . . 2.84 1 1 223 1 . . . . . . . 3.78 1 1 224 1 . . . . . . . 3.97 1 1 225 1 . . . . . . . 3.88 1 1 226 1 . . . . . . . 3.07 1 1 227 1 . . . . . . . 3.19 1 1 228 1 . . . . . . . 2.65 1 1 229 1 . . . . . . . 2.91 1 1 230 1 . . . . . . . 3.96 1 1 231 1 . . . . . . . 3.48 1 1 232 1 . . . . . . . 3.89 1 1 233 1 . . . . . . . 3.46 1 1 234 1 . . . . . . . 3.94 1 1 235 1 . . . . . . . 3.5 1 1 236 1 . . . . . . . 2.0 1 1 237 1 . . . . . . . 3.0 1 1 238 1 . . . . . . . 3.0 1 1 239 1 . . . . . . . 2.0 1 1 240 1 . . . . . . . 3.0 1 1 241 1 . . . . . . . 3.0 1 1 242 1 . . . . . . . 2.0 1 1 243 1 . . . . . . . 3.0 1 1 244 1 . . . . . . . 3.0 1 1 245 1 . . . . . . . 2.0 1 1 246 1 . . . . . . . 3.0 1 1 247 1 . . . . . . . 3.0 1 1 248 1 . . . . . . . 2.0 1 1 249 1 . . . . . . . 3.0 1 1 250 1 . . . . . . . 3.0 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3_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 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 . . . 1 2 42 1 . . . 1 2 43 1 . . . 1 2 44 1 . . . 1 2 45 1 . . . 1 2 46 1 . . . 1 2 47 1 . . . 1 2 48 1 . . . 1 2 49 1 . . . 1 2 50 1 . . . 1 2 51 1 . . . 1 2 52 1 . . . 1 2 53 1 . . . 1 2 54 1 . . . 1 2 55 1 . . . 1 2 56 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 16 TYR H . 16 TYR H 1 2 1 1 2 1 1 43 CYS O . 43 CYSS O 1 2 2 1 1 1 1 16 TYR H . 16 TYR H 1 2 2 1 2 1 1 43 CYS C . 43 CYSS C 1 2 3 1 1 1 1 16 TYR N . 16 TYR N 1 2 3 1 2 1 1 43 CYS O . 43 CYSS O 1 2 4 1 1 1 1 16 TYR O . 16 TYR O 1 2 4 1 2 1 1 43 CYS H . 43 CYSS H 1 2 5 1 1 1 1 16 TYR C . 16 TYR C 1 2 5 1 2 1 1 43 CYS H . 43 CYSS H 1 2 6 1 1 1 1 16 TYR O . 16 TYR O 1 2 6 1 2 1 1 43 CYS N . 43 CYSS N 1 2 7 1 1 1 1 18 GLU H . 18 GLU H 1 2 7 1 2 1 1 41 ARG O . 41 ARG O 1 2 8 1 1 1 1 18 GLU H . 18 GLU H 1 2 8 1 2 1 1 41 ARG C . 41 ARG C 1 2 9 1 1 1 1 18 GLU N . 18 GLU N 1 2 9 1 2 1 1 41 ARG O . 41 ARG O 1 2 10 1 1 1 1 18 GLU O . 18 GLU O 1 2 10 1 2 1 1 41 ARG H . 41 ARG H 1 2 11 1 1 1 1 18 GLU C . 18 GLU C 1 2 11 1 2 1 1 41 ARG H . 41 ARG H 1 2 12 1 1 1 1 18 GLU O . 18 GLU O 1 2 12 1 2 1 1 41 ARG N . 41 ARG N 1 2 13 1 1 1 1 27 HIS O . 27 HIS O 1 2 13 1 2 1 1 44 CYS H . 44 CYSS H 1 2 14 1 1 1 1 27 HIS C . 27 HIS C 1 2 14 1 2 1 1 44 CYS H . 44 CYSS H 1 2 15 1 1 1 1 27 HIS O . 27 HIS O 1 2 15 1 2 1 1 44 CYS N . 44 CYSS N 1 2 16 1 1 1 1 27 HIS H . 27 HIS H 1 2 16 1 2 1 1 44 CYS O . 44 CYSS O 1 2 17 1 1 1 1 27 HIS H . 27 HIS H 1 2 17 1 2 1 1 44 CYS C . 44 CYSS C 1 2 18 1 1 1 1 27 HIS N . 27 HIS N 1 2 18 1 2 1 1 44 CYS O . 44 CYSS O 1 2 19 1 1 1 1 29 CYS H . 29 CYSS H 1 2 19 1 2 1 1 42 CYS O . 42 CYSS O 1 2 20 1 1 1 1 29 CYS H . 29 CYSS H 1 2 20 1 2 1 1 42 CYS C . 42 CYSS C 1 2 21 1 1 1 1 29 CYS N . 29 CYSS N 1 2 21 1 2 1 1 42 CYS O . 42 CYSS O 1 2 22 1 1 1 1 35 CYS H . 35 CYSS H 1 2 22 1 2 1 1 40 ASP O . 40 ASP O 1 2 23 1 1 1 1 35 CYS H . 35 CYSS H 1 2 23 1 2 1 1 40 ASP C . 40 ASP C 1 2 24 1 1 1 1 35 CYS N . 35 CYSS N 1 2 24 1 2 1 1 40 ASP O . 40 ASP O 1 2 25 1 1 1 1 12 SER O . 12 SER O 1 2 25 1 2 1 1 15 ASN H . 15 ASN H 1 2 26 1 1 1 1 12 SER C . 12 SER C 1 2 26 1 2 1 1 15 ASN H . 15 ASN H 1 2 27 1 1 1 1 12 SER O . 12 SER O 1 2 27 1 2 1 1 15 ASN N . 15 ASN N 1 2 28 1 1 1 1 23 GLU O . 23 GLU O 1 2 28 1 2 1 1 26 PHE H . 26 PHE H 1 2 29 1 1 1 1 23 GLU C . 23 GLU C 1 2 29 1 2 1 1 26 PHE H . 26 PHE H 1 2 30 1 1 1 1 23 GLU O . 23 GLU O 1 2 30 1 2 1 1 26 PHE N . 26 PHE N 1 2 31 1 1 1 1 9 GLY O . 9 GLY O 1 2 31 1 2 1 1 34 TRP H . 34 TRP H 1 2 32 1 1 1 1 9 GLY C . 9 GLY C 1 2 32 1 2 1 1 34 TRP H . 34 TRP H 1 2 33 1 1 1 1 9 GLY O . 9 GLY O 1 2 33 1 2 1 1 34 TRP N . 34 TRP N 1 2 34 1 1 1 1 33 HIS O . 33 HIS O 1 2 34 1 2 1 1 42 CYS H . 42 CYSS H 1 2 35 1 1 1 1 33 HIS C . 33 HIS C 1 2 35 1 2 1 1 42 CYS H . 42 CYSS H 1 2 36 1 1 1 1 33 HIS O . 33 HIS O 1 2 36 1 2 1 1 42 CYS N . 42 CYSS N 1 2 37 1 1 1 1 2 TYR O . 2 TYR O 1 2 37 1 2 1 1 5 GLN H . 5 GLN H 1 2 38 1 1 1 1 2 TYR C . 2 TYR C 1 2 38 1 2 1 1 5 GLN H . 5 GLN H 1 2 39 1 1 1 1 2 TYR O . 2 TYR O 1 2 39 1 2 1 1 5 GLN N . 5 GLN N 1 2 40 1 1 1 1 9 GLY H . 9 GLY H 1 2 40 1 2 1 1 32 ASP O . 32 ASP O 1 2 41 1 1 1 1 9 GLY H . 9 GLY H 1 2 41 1 2 1 1 32 ASP C . 32 ASP C 1 2 42 1 1 1 1 9 GLY N . 9 GLY N 1 2 42 1 2 1 1 32 ASP O . 32 ASP O 1 2 43 1 1 1 1 5 GLN O . 5 GLN O 1 2 43 1 2 1 1 8 CYS H . 8 CYSS H 1 2 44 1 1 1 1 5 GLN C . 5 GLN C 1 2 44 1 2 1 1 8 CYS H . 8 CYSS H 1 2 45 1 1 1 1 5 GLN O . 5 GLN O 1 2 45 1 2 1 1 8 CYS N . 8 CYSS N 1 2 46 1 1 1 1 14 PRO O . 14 PRO O 1 2 46 1 2 1 1 45 ALA H . 45 ALA H 1 2 47 1 1 1 1 14 PRO C . 14 PRO C 1 2 47 1 2 1 1 45 ALA H . 45 ALA H 1 2 48 1 1 1 1 14 PRO O . 14 PRO O 1 2 48 1 2 1 1 45 ALA N . 45 ALA N 1 2 49 1 1 1 1 30 GLY O . 30 GLY O 1 2 49 1 2 1 1 33 HIS H . 33 HIS H 1 2 50 1 1 1 1 30 GLY C . 30 GLY C 1 2 50 1 2 1 1 33 HIS H . 33 HIS H 1 2 51 1 1 1 1 30 GLY O . 30 GLY O 1 2 51 1 2 1 1 33 HIS N . 33 HIS N 1 2 52 1 1 1 1 37 ALA O . 37 ALA O 1 2 52 1 2 1 1 40 ASP H . 40 ASP H 1 2 53 1 1 1 1 37 ALA C . 37 ALA C 1 2 53 1 2 1 1 40 ASP H . 40 ASP H 1 2 54 1 1 1 1 37 ALA O . 37 ALA O 1 2 54 1 2 1 1 40 ASP N . 40 ASP N 1 2 55 1 1 1 1 2 TYR H . 2 TYR H 1 2 55 1 2 1 1 5 GLN OE1 . 5 GLN OE1 1 2 56 1 1 1 1 2 TYR N . 2 TYR N 1 2 56 1 2 1 1 5 GLN OE1 . 5 GLN OE1 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 . . . . . . . 1.7 1 2 2 1 . . . . . . . 2.6 1 2 3 1 . . . . . . . 2.6 1 2 4 1 . . . . . . . 1.7 1 2 5 1 . . . . . . . 2.6 1 2 6 1 . . . . . . . 2.6 1 2 7 1 . . . . . . . 1.7 1 2 8 1 . . . . . . . 2.6 1 2 9 1 . . . . . . . 2.6 1 2 10 1 . . . . . . . 1.7 1 2 11 1 . . . . . . . 2.6 1 2 12 1 . . . . . . . 2.6 1 2 13 1 . . . . . . . 1.7 1 2 14 1 . . . . . . . 2.6 1 2 15 1 . . . . . . . 2.6 1 2 16 1 . . . . . . . 1.7 1 2 17 1 . . . . . . . 2.6 1 2 18 1 . . . . . . . 2.6 1 2 19 1 . . . . . . . 1.7 1 2 20 1 . . . . . . . 2.6 1 2 21 1 . . . . . . . 2.6 1 2 22 1 . . . . . . . 1.7 1 2 23 1 . . . . . . . 2.6 1 2 24 1 . . . . . . . 2.6 1 2 25 1 . . . . . . . 1.7 1 2 26 1 . . . . . . . 2.6 1 2 27 1 . . . . . . . 2.6 1 2 28 1 . . . . . . . 1.7 1 2 29 1 . . . . . . . 2.6 1 2 30 1 . . . . . . . 2.6 1 2 31 1 . . . . . . . 1.7 1 2 32 1 . . . . . . . 2.6 1 2 33 1 . . . . . . . 2.6 1 2 34 1 . . . . . . . 1.7 1 2 35 1 . . . . . . . 2.6 1 2 36 1 . . . . . . . 2.6 1 2 37 1 . . . . . . . 1.7 1 2 38 1 . . . . . . . 2.6 1 2 39 1 . . . . . . . 2.6 1 2 40 1 . . . . . . . 1.7 1 2 41 1 . . . . . . . 2.6 1 2 42 1 . . . . . . . 2.6 1 2 43 1 . . . . . . . 1.7 1 2 44 1 . . . . . . . 2.6 1 2 45 1 . . . . . . . 2.6 1 2 46 1 . . . . . . . 1.7 1 2 47 1 . . . . . . . 2.6 1 2 48 1 . . . . . . . 2.6 1 2 49 1 . . . . . . . 1.7 1 2 50 1 . . . . . . . 2.6 1 2 51 1 . . . . . . . 2.6 1 2 52 1 . . . . . . . 1.7 1 2 53 1 . . . . . . . 2.6 1 2 54 1 . . . . . . . 2.6 1 2 55 1 . . . . . . . 1.8 1 2 56 1 . . . . . . . 2.7 1 2 stop_ save_ save_DYANA/DIANA_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 CHI1 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS CB 1 1 8 CYS SG -210.0 -150.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1 2 CHI1 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN CB 1 1 15 ASN CG -89.99999 -30.0 . 15 ASN . . 15 ASN . . 15 ASN . . 15 ASN . 1 1 3 CHI1 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS CB 1 1 17 CYS SG -89.99999 -30.0 . 17 CYSS . . 17 CYSS . . 17 CYSS . . 17 CYSS . 1 1 4 CHI1 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS CB 1 1 22 CYS SG -89.99999 -30.0 . 22 CYSS . . 22 CYSS . . 22 CYSS . . 22 CYSS . 1 1 5 CHI1 1 1 26 PHE N 1 1 26 PHE CA 1 1 26 PHE CB 1 1 26 PHE CG -89.99999 -30.0 . 26 PHE . . 26 PHE . . 26 PHE . . 26 PHE . 1 1 6 CHI1 1 1 27 HIS N 1 1 27 HIS CA 1 1 27 HIS CB 1 1 27 HIS CG 30.0 89.99999 . 27 HIS . . 27 HIS . . 27 HIS . . 27 HIS . 1 1 7 CHI1 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP CB 1 1 28 ASP CG -210.0 -150.0 . 28 ASP . . 28 ASP . . 28 ASP . . 28 ASP . 1 1 8 CHI1 1 1 29 CYS N 1 1 29 CYS CA 1 1 29 CYS CB 1 1 29 CYS SG 30.0 89.99999 . 29 CYSS . . 29 CYSS . . 29 CYSS . . 29 CYSS . 1 1 9 CHI1 1 1 32 ASP N 1 1 32 ASP CA 1 1 32 ASP CB 1 1 32 ASP CG 30.0 89.99999 . 32 ASP . . 32 ASP . . 32 ASP . . 32 ASP . 1 1 10 CHI1 1 1 33 HIS N 1 1 33 HIS CA 1 1 33 HIS CB 1 1 33 HIS CG -89.99999 -30.0 . 33 HIS . . 33 HIS . . 33 HIS . . 33 HIS . 1 1 11 CHI1 1 1 34 TRP N 1 1 34 TRP CA 1 1 34 TRP CB 1 1 34 TRP CG 30.0 89.99999 . 34 TRP . . 34 TRP . . 34 TRP . . 34 TRP . 1 1 12 CHI1 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS CB 1 1 35 CYS SG -89.99999 -30.0 . 35 CYSS . . 35 CYSS . . 35 CYSS . . 35 CYSS . 1 1 13 CHI1 1 1 36 ASP N 1 1 36 ASP CA 1 1 36 ASP CB 1 1 36 ASP CG -89.99999 -30.0 . 36 ASP . . 36 ASP . . 36 ASP . . 36 ASP . 1 1 14 CHI1 1 1 40 ASP N 1 1 40 ASP CA 1 1 40 ASP CB 1 1 40 ASP CG -89.99999 -30.0 . 40 ASP . . 40 ASP . . 40 ASP . . 40 ASP . 1 1 15 CHI1 1 1 42 CYS N 1 1 42 CYS CA 1 1 42 CYS CB 1 1 42 CYS SG -89.99999 -30.0 . 42 CYSS . . 42 CYSS . . 42 CYSS . . 42 CYSS . 1 1 16 CHI1 1 1 43 CYS N 1 1 43 CYS CA 1 1 43 CYS CB 1 1 43 CYS SG -89.99999 -30.0 . 43 CYSS . . 43 CYSS . . 43 CYSS . . 43 CYSS . 1 1 17 CHI1 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS CB 1 1 44 CYS SG -89.99999 -30.0 . 44 CYSS . . 44 CYSS . . 44 CYSS . . 44 CYSS . 1 1 18 PSI 1 1 1 CYS N 1 1 1 CYS CA 1 1 1 CYS C 1 1 2 TYR N -85.0 195.0 . 1 CYSS . . 1 CYSS . . 1 CYSS . . 1 CYSS . 1 1 19 PHI 1 1 1 CYS C 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR C -145.0 -85.0 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1 20 PHI 1 1 1 CYS C 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR C -105.0 235.00002 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1 21 PSI 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR C 1 1 3 PRO N 65.0 165.0 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1 22 PSI 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR C 1 1 3 PRO N -205.0 85.0 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1 23 PHI 1 1 3 PRO C 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C -315.0 -44.999996 . 4 GLY . . 4 GLY . . 4 GLY . . 4 GLY . 1 1 24 PHI 1 1 4 GLY C 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C -174.99998 -65.0 . 5 GLN . . 5 GLN . . 5 GLN . . 5 GLN . 1 1 25 PHI 1 1 4 GLY C 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C -75.0 195.0 . 5 GLN . . 5 GLN . . 5 GLN . . 5 GLN . 1 1 26 PSI 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C 1 1 6 PRO N 65.0 165.0 . 5 GLN . . 5 GLN . . 5 GLN . . 5 GLN . 1 1 27 PSI 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C 1 1 6 PRO N -205.0 85.0 . 5 GLN . . 5 GLN . . 5 GLN . . 5 GLN . 1 1 28 PHI 1 1 6 PRO C 1 1 7 GLY N 1 1 7 GLY CA 1 1 7 GLY C -315.0 -44.999996 . 7 GLY . . 7 GLY . . 7 GLY . . 7 GLY . 1 1 29 PHI 1 1 7 GLY C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -155.0 -85.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1 30 PHI 1 1 7 GLY C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -95.0 225.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1 31 PSI 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C 1 1 9 GLY N -85.0 195.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1 32 PHI 1 1 8 CYS C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -315.0 -44.999996 . 9 GLY . . 9 GLY . . 9 GLY . . 9 GLY . 1 1 33 PHI 1 1 9 GLY C 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C -185.0 -55.0 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 34 PHI 1 1 9 GLY C 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C -65.0 185.0 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 35 PSI 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C 1 1 11 CYS N -325.0 -15.0 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 36 PSI 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C 1 1 11 CYS N -85.0 195.0 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 37 PHI 1 1 10 HIS C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -174.99998 -65.0 . 11 CYSS . . 11 CYSS . . 11 CYSS . . 11 CYSS . 1 1 38 PHI 1 1 10 HIS C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -75.0 195.0 . 11 CYSS . . 11 CYSS . . 11 CYSS . . 11 CYSS . 1 1 39 PSI 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 1 1 12 SER N -335.0 -5.0 . 11 CYSS . . 11 CYSS . . 11 CYSS . . 11 CYSS . 1 1 40 PSI 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 1 1 12 SER N -85.0 195.0 . 11 CYSS . . 11 CYSS . . 11 CYSS . . 11 CYSS . 1 1 41 PHI 1 1 11 CYS C 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C -155.0 -85.0 . 12 SER . . 12 SER . . 12 SER . . 12 SER . 1 1 42 PHI 1 1 11 CYS C 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C -105.0 235.00002 . 12 SER . . 12 SER . . 12 SER . . 12 SER . 1 1 43 PSI 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C 1 1 13 ARG N -85.0 195.0 . 12 SER . . 12 SER . . 12 SER . . 12 SER . 1 1 44 PHI 1 1 12 SER C 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C -185.0 -44.999996 . 13 ARG . . 13 ARG . . 13 ARG . . 13 ARG . 1 1 45 PHI 1 1 12 SER C 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C -65.0 185.0 . 13 ARG . . 13 ARG . . 13 ARG . . 13 ARG . 1 1 46 PHI 1 1 14 PRO C 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C -155.0 -85.0 . 15 ASN . . 15 ASN . . 15 ASN . . 15 ASN . 1 1 47 PHI 1 1 14 PRO C 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C -105.0 235.00002 . 15 ASN . . 15 ASN . . 15 ASN . . 15 ASN . 1 1 48 PSI 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C 1 1 16 TYR N -85.0 195.0 . 15 ASN . . 15 ASN . . 15 ASN . . 15 ASN . 1 1 49 PHI 1 1 15 ASN C 1 1 16 TYR N 1 1 16 TYR CA 1 1 16 TYR C 44.999996 285.0 . 16 TYR . . 16 TYR . . 16 TYR . . 16 TYR . 1 1 50 PHI 1 1 15 ASN C 1 1 16 TYR N 1 1 16 TYR CA 1 1 16 TYR C -155.0 65.0 . 16 TYR . . 16 TYR . . 16 TYR . . 16 TYR . 1 1 51 PHI 1 1 15 ASN C 1 1 16 TYR N 1 1 16 TYR CA 1 1 16 TYR C -95.0 215.0 . 16 TYR . . 16 TYR . . 16 TYR . . 16 TYR . 1 1 52 PSI 1 1 16 TYR N 1 1 16 TYR CA 1 1 16 TYR C 1 1 17 CYS N -85.0 195.0 . 16 TYR . . 16 TYR . . 16 TYR . . 16 TYR . 1 1 53 PHI 1 1 16 TYR C 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C 44.999996 285.0 . 17 CYSS . . 17 CYSS . . 17 CYSS . . 17 CYSS . 1 1 54 PHI 1 1 16 TYR C 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C -165.0 65.0 . 17 CYSS . . 17 CYSS . . 17 CYSS . . 17 CYSS . 1 1 55 PHI 1 1 16 TYR C 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C -95.0 215.0 . 17 CYSS . . 17 CYSS . . 17 CYSS . . 17 CYSS . 1 1 56 PSI 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C 1 1 18 GLU N -85.0 195.0 . 17 CYSS . . 17 CYSS . . 17 CYSS . . 17 CYSS . 1 1 57 PHI 1 1 17 CYS C 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU C -145.0 -85.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 58 PHI 1 1 17 CYS C 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU C -115.00001 235.00002 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 59 PSI 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU C 1 1 19 GLY N -85.0 195.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 60 PHI 1 1 18 GLU C 1 1 19 GLY N 1 1 19 GLY CA 1 1 19 GLY C -315.0 -44.999996 . 19 GLY . . 19 GLY . . 19 GLY . . 19 GLY . 1 1 61 PHI 1 1 19 GLY C 1 1 20 ALA N 1 1 20 ALA CA 1 1 20 ALA C -145.0 -95.0 . 20 ALA . . 20 ALA . . 20 ALA . . 20 ALA . 1 1 62 PSI 1 1 20 ALA N 1 1 20 ALA CA 1 1 20 ALA C 1 1 21 ARG N -85.0 195.0 . 20 ALA . . 20 ALA . . 20 ALA . . 20 ALA . 1 1 63 PHI 1 1 20 ALA C 1 1 21 ARG N 1 1 21 ARG CA 1 1 21 ARG C 44.999996 295.0 . 21 ARG . . 21 ARG . . 21 ARG . . 21 ARG . 1 1 64 PHI 1 1 20 ALA C 1 1 21 ARG N 1 1 21 ARG CA 1 1 21 ARG C -165.0 65.0 . 21 ARG . . 21 ARG . . 21 ARG . . 21 ARG . 1 1 65 PHI 1 1 20 ALA C 1 1 21 ARG N 1 1 21 ARG CA 1 1 21 ARG C -85.0 205.0 . 21 ARG . . 21 ARG . . 21 ARG . . 21 ARG . 1 1 66 PSI 1 1 21 ARG N 1 1 21 ARG CA 1 1 21 ARG C 1 1 22 CYS N -345.0 5.0 . 21 ARG . . 21 ARG . . 21 ARG . . 21 ARG . 1 1 67 PSI 1 1 21 ARG N 1 1 21 ARG CA 1 1 21 ARG C 1 1 22 CYS N -85.0 195.0 . 21 ARG . . 21 ARG . . 21 ARG . . 21 ARG . 1 1 68 PHI 1 1 21 ARG C 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C -185.0 -55.0 . 22 CYSS . . 22 CYSS . . 22 CYSS . . 22 CYSS . 1 1 69 PHI 1 1 21 ARG C 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C -65.0 195.0 . 22 CYSS . . 22 CYSS . . 22 CYSS . . 22 CYSS . 1 1 70 PSI 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C 1 1 23 GLU N -335.0 -15.0 . 22 CYSS . . 22 CYSS . . 22 CYSS . . 22 CYSS . 1 1 71 PSI 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C 1 1 23 GLU N -85.0 195.0 . 22 CYSS . . 22 CYSS . . 22 CYSS . . 22 CYSS . 1 1 72 PHI 1 1 22 CYS C 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C -185.0 -55.0 . 23 GLU . . 23 GLU . . 23 GLU . . 23 GLU . 1 1 73 PHI 1 1 22 CYS C 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C -75.0 195.0 . 23 GLU . . 23 GLU . . 23 GLU . . 23 GLU . 1 1 74 PSI 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C 1 1 24 SER N -335.0 -5.0 . 23 GLU . . 23 GLU . . 23 GLU . . 23 GLU . 1 1 75 PSI 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C 1 1 24 SER N -85.0 195.0 . 23 GLU . . 23 GLU . . 23 GLU . . 23 GLU . 1 1 76 PHI 1 1 23 GLU C 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C -185.0 -44.999996 . 24 SER . . 24 SER . . 24 SER . . 24 SER . 1 1 77 PHI 1 1 23 GLU C 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C -65.0 185.0 . 24 SER . . 24 SER . . 24 SER . . 24 SER . 1 1 78 PSI 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C 1 1 25 GLY N -335.0 -15.0 . 24 SER . . 24 SER . . 24 SER . . 24 SER . 1 1 79 PSI 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C 1 1 25 GLY N -85.0 195.0 . 24 SER . . 24 SER . . 24 SER . . 24 SER . 1 1 80 PHI 1 1 24 SER C 1 1 25 GLY N 1 1 25 GLY CA 1 1 25 GLY C -315.0 -44.999996 . 25 GLY . . 25 GLY . . 25 GLY . . 25 GLY . 1 1 81 PHI 1 1 25 GLY C 1 1 26 PHE N 1 1 26 PHE CA 1 1 26 PHE C -135.0 -95.0 . 26 PHE . . 26 PHE . . 26 PHE . . 26 PHE . 1 1 82 PSI 1 1 26 PHE N 1 1 26 PHE CA 1 1 26 PHE C 1 1 27 HIS N -85.0 195.0 . 26 PHE . . 26 PHE . . 26 PHE . . 26 PHE . 1 1 83 PHI 1 1 26 PHE C 1 1 27 HIS N 1 1 27 HIS CA 1 1 27 HIS C -145.0 -95.0 . 27 HIS . . 27 HIS . . 27 HIS . . 27 HIS . 1 1 84 PSI 1 1 27 HIS N 1 1 27 HIS CA 1 1 27 HIS C 1 1 28 ASP N -85.0 195.0 . 27 HIS . . 27 HIS . . 27 HIS . . 27 HIS . 1 1 85 PHI 1 1 27 HIS C 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C -185.0 -44.999996 . 28 ASP . . 28 ASP . . 28 ASP . . 28 ASP . 1 1 86 PHI 1 1 27 HIS C 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C -65.0 185.0 . 28 ASP . . 28 ASP . . 28 ASP . . 28 ASP . 1 1 87 PSI 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C 1 1 29 CYS N -325.0 -15.0 . 28 ASP . . 28 ASP . . 28 ASP . . 28 ASP . 1 1 88 PSI 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C 1 1 29 CYS N -85.0 195.0 . 28 ASP . . 28 ASP . . 28 ASP . . 28 ASP . 1 1 89 PHI 1 1 28 ASP C 1 1 29 CYS N 1 1 29 CYS CA 1 1 29 CYS C -135.0 -105.0 . 29 CYSS . . 29 CYSS . . 29 CYSS . . 29 CYSS . 1 1 90 PSI 1 1 29 CYS N 1 1 29 CYS CA 1 1 29 CYS C 1 1 30 GLY N -85.0 195.0 . 29 CYSS . . 29 CYSS . . 29 CYSS . . 29 CYSS . 1 1 91 PHI 1 1 29 CYS C 1 1 30 GLY N 1 1 30 GLY CA 1 1 30 GLY C -315.0 -44.999996 . 30 GLY . . 30 GLY . . 30 GLY . . 30 GLY . 1 1 92 PHI 1 1 30 GLY C 1 1 31 SER N 1 1 31 SER CA 1 1 31 SER C -185.0 -44.999996 . 31 SER . . 31 SER . . 31 SER . . 31 SER . 1 1 93 PHI 1 1 30 GLY C 1 1 31 SER N 1 1 31 SER CA 1 1 31 SER C -65.0 185.0 . 31 SER . . 31 SER . . 31 SER . . 31 SER . 1 1 94 PSI 1 1 31 SER N 1 1 31 SER CA 1 1 31 SER C 1 1 32 ASP N -325.0 -15.0 . 31 SER . . 31 SER . . 31 SER . . 31 SER . 1 1 95 PSI 1 1 31 SER N 1 1 31 SER CA 1 1 31 SER C 1 1 32 ASP N -85.0 195.0 . 31 SER . . 31 SER . . 31 SER . . 31 SER . 1 1 96 PHI 1 1 31 SER C 1 1 32 ASP N 1 1 32 ASP CA 1 1 32 ASP C -155.0 -85.0 . 32 ASP . . 32 ASP . . 32 ASP . . 32 ASP . 1 1 97 PHI 1 1 31 SER C 1 1 32 ASP N 1 1 32 ASP CA 1 1 32 ASP C -105.0 225.0 . 32 ASP . . 32 ASP . . 32 ASP . . 32 ASP . 1 1 98 PSI 1 1 32 ASP N 1 1 32 ASP CA 1 1 32 ASP C 1 1 33 HIS N -85.0 195.0 . 32 ASP . . 32 ASP . . 32 ASP . . 32 ASP . 1 1 99 PHI 1 1 32 ASP C 1 1 33 HIS N 1 1 33 HIS CA 1 1 33 HIS C -145.0 -95.0 . 33 HIS . . 33 HIS . . 33 HIS . . 33 HIS . 1 1 100 PSI 1 1 33 HIS N 1 1 33 HIS CA 1 1 33 HIS C 1 1 34 TRP N -85.0 195.0 . 33 HIS . . 33 HIS . . 33 HIS . . 33 HIS . 1 1 101 PHI 1 1 33 HIS C 1 1 34 TRP N 1 1 34 TRP CA 1 1 34 TRP C -135.0 -105.0 . 34 TRP . . 34 TRP . . 34 TRP . . 34 TRP . 1 1 102 PSI 1 1 34 TRP N 1 1 34 TRP CA 1 1 34 TRP C 1 1 35 CYS N -85.0 195.0 . 34 TRP . . 34 TRP . . 34 TRP . . 34 TRP . 1 1 103 PHI 1 1 34 TRP C 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS C -145.0 -95.0 . 35 CYSS . . 35 CYSS . . 35 CYSS . . 35 CYSS . 1 1 104 PSI 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS C 1 1 36 ASP N -85.0 195.0 . 35 CYSS . . 35 CYSS . . 35 CYSS . . 35 CYSS . 1 1 105 PHI 1 1 35 CYS C 1 1 36 ASP N 1 1 36 ASP CA 1 1 36 ASP C -185.0 -44.999996 . 36 ASP . . 36 ASP . . 36 ASP . . 36 ASP . 1 1 106 PHI 1 1 35 CYS C 1 1 36 ASP N 1 1 36 ASP CA 1 1 36 ASP C -65.0 185.0 . 36 ASP . . 36 ASP . . 36 ASP . . 36 ASP . 1 1 107 PSI 1 1 36 ASP N 1 1 36 ASP CA 1 1 36 ASP C 1 1 37 ALA N -325.0 -15.0 . 36 ASP . . 36 ASP . . 36 ASP . . 36 ASP . 1 1 108 PSI 1 1 36 ASP N 1 1 36 ASP CA 1 1 36 ASP C 1 1 37 ALA N -85.0 195.0 . 36 ASP . . 36 ASP . . 36 ASP . . 36 ASP . 1 1 109 PHI 1 1 36 ASP C 1 1 37 ALA N 1 1 37 ALA CA 1 1 37 ALA C -145.0 -95.0 . 37 ALA . . 37 ALA . . 37 ALA . . 37 ALA . 1 1 110 PSI 1 1 37 ALA N 1 1 37 ALA CA 1 1 37 ALA C 1 1 38 SER N -85.0 195.0 . 37 ALA . . 37 ALA . . 37 ALA . . 37 ALA . 1 1 111 PHI 1 1 37 ALA C 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C -185.0 -44.999996 . 38 SER . . 38 SER . . 38 SER . . 38 SER . 1 1 112 PHI 1 1 37 ALA C 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C -65.0 185.0 . 38 SER . . 38 SER . . 38 SER . . 38 SER . 1 1 113 PSI 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C 1 1 39 GLY N -335.0 -15.0 . 38 SER . . 38 SER . . 38 SER . . 38 SER . 1 1 114 PSI 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C 1 1 39 GLY N -85.0 195.0 . 38 SER . . 38 SER . . 38 SER . . 38 SER . 1 1 115 PHI 1 1 38 SER C 1 1 39 GLY N 1 1 39 GLY CA 1 1 39 GLY C -315.0 -44.999996 . 39 GLY . . 39 GLY . . 39 GLY . . 39 GLY . 1 1 116 PHI 1 1 39 GLY C 1 1 40 ASP N 1 1 40 ASP CA 1 1 40 ASP C 44.999996 285.0 . 40 ASP . . 40 ASP . . 40 ASP . . 40 ASP . 1 1 117 PHI 1 1 39 GLY C 1 1 40 ASP N 1 1 40 ASP CA 1 1 40 ASP C -155.0 65.0 . 40 ASP . . 40 ASP . . 40 ASP . . 40 ASP . 1 1 118 PHI 1 1 39 GLY C 1 1 40 ASP N 1 1 40 ASP CA 1 1 40 ASP C -95.0 215.0 . 40 ASP . . 40 ASP . . 40 ASP . . 40 ASP . 1 1 119 PSI 1 1 40 ASP N 1 1 40 ASP CA 1 1 40 ASP C 1 1 41 ARG N -85.0 195.0 . 40 ASP . . 40 ASP . . 40 ASP . . 40 ASP . 1 1 120 PHI 1 1 40 ASP C 1 1 41 ARG N 1 1 41 ARG CA 1 1 41 ARG C -145.0 -95.0 . 41 ARG . . 41 ARG . . 41 ARG . . 41 ARG . 1 1 121 PSI 1 1 41 ARG N 1 1 41 ARG CA 1 1 41 ARG C 1 1 42 CYS N -85.0 195.0 . 41 ARG . . 41 ARG . . 41 ARG . . 41 ARG . 1 1 122 PHI 1 1 41 ARG C 1 1 42 CYS N 1 1 42 CYS CA 1 1 42 CYS C -185.0 -55.0 . 42 CYSS . . 42 CYSS . . 42 CYSS . . 42 CYSS . 1 1 123 PHI 1 1 41 ARG C 1 1 42 CYS N 1 1 42 CYS CA 1 1 42 CYS C -75.0 195.0 . 42 CYSS . . 42 CYSS . . 42 CYSS . . 42 CYSS . 1 1 124 PSI 1 1 42 CYS N 1 1 42 CYS CA 1 1 42 CYS C 1 1 43 CYS N -335.0 -5.0 . 42 CYSS . . 42 CYSS . . 42 CYSS . . 42 CYSS . 1 1 125 PSI 1 1 42 CYS N 1 1 42 CYS CA 1 1 42 CYS C 1 1 43 CYS N -85.0 195.0 . 42 CYSS . . 42 CYSS . . 42 CYSS . . 42 CYSS . 1 1 126 PHI 1 1 42 CYS C 1 1 43 CYS N 1 1 43 CYS CA 1 1 43 CYS C -145.0 -95.0 . 43 CYSS . . 43 CYSS . . 43 CYSS . . 43 CYSS . 1 1 127 PSI 1 1 43 CYS N 1 1 43 CYS CA 1 1 43 CYS C 1 1 44 CYS N -85.0 195.0 . 43 CYSS . . 43 CYSS . . 43 CYSS . . 43 CYSS . 1 1 128 PHI 1 1 43 CYS C 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS C -135.0 -95.0 . 44 CYSS . . 44 CYSS . . 44 CYSS . . 44 CYSS . 1 1 129 PSI 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS C 1 1 45 ALA N -85.0 195.0 . 44 CYSS . . 44 CYSS . . 44 CYSS . . 44 CYSS . 1 1 130 PHI 1 1 44 CYS C 1 1 45 ALA N 1 1 45 ALA CA 1 1 45 ALA C 55.0 275.0 . 45 ALA . . 45 ALA . . 45 ALA . . 45 ALA . 1 1 131 PHI 1 1 44 CYS C 1 1 45 ALA N 1 1 45 ALA CA 1 1 45 ALA C -155.0 65.0 . 45 ALA . . 45 ALA . . 45 ALA . . 45 ALA . 1 1 132 PHI 1 1 44 CYS C 1 1 45 ALA N 1 1 45 ALA CA 1 1 45 ALA C -95.0 215.0 . 45 ALA . . 45 ALA . . 45 ALA . . 45 ALA . 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 CYS C C 2.737 -1.363 -1.483 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C 2.094 0.000 -1.241 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C 3.172 1.085 -1.200 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS HA H 1.413 0.211 -2.051 1.00 . A A . 1 CYS HA 1 1 1 5 1 1 1 CYS HB2 H 3.946 0.839 -1.913 1.00 . A A . 1 CYS HB2 1 1 1 6 1 1 1 CYS HB3 H 2.728 2.032 -1.470 1.00 . A A . 1 CYS HB3 1 1 1 7 1 1 1 CYS N N 1.329 0.000 0.000 1.00 . A A . 1 CYS N 1 1 1 8 1 1 1 CYS O O 2.914 -2.152 -0.554 1.00 . A A . 1 CYS O 1 1 1 9 1 1 1 CYS SG S 3.963 1.286 0.428 1.00 . A A . 1 CYS SG 1 1 1 10 1 1 2 TYR C C 5.216 -2.850 -2.878 1.00 . A A . 2 TYR C 1 1 1 11 1 1 2 TYR CA C 3.708 -2.899 -3.101 1.00 . A A . 2 TYR CA 1 1 1 12 1 1 2 TYR CB C 3.408 -3.236 -4.563 1.00 . A A . 2 TYR CB 1 1 1 13 1 1 2 TYR CD1 C 1.678 -4.948 -3.891 1.00 . A A . 2 TYR CD1 1 1 1 14 1 1 2 TYR CD2 C 3.059 -5.424 -5.774 1.00 . A A . 2 TYR CD2 1 1 1 15 1 1 2 TYR CE1 C 1.030 -6.157 -4.054 1.00 . A A . 2 TYR CE1 1 1 1 16 1 1 2 TYR CE2 C 2.416 -6.634 -5.946 1.00 . A A . 2 TYR CE2 1 1 1 17 1 1 2 TYR CG C 2.702 -4.560 -4.746 1.00 . A A . 2 TYR CG 1 1 1 18 1 1 2 TYR CZ C 1.402 -6.997 -5.083 1.00 . A A . 2 TYR CZ 1 1 1 19 1 1 2 TYR H H 2.920 -0.963 -3.433 1.00 . A A . 2 TYR H 1 1 1 20 1 1 2 TYR HA H 3.287 -3.669 -2.471 1.00 . A A . 2 TYR HA 1 1 1 21 1 1 2 TYR HB2 H 2.779 -2.465 -4.981 1.00 . A A . 2 TYR HB2 1 1 1 22 1 1 2 TYR HB3 H 4.336 -3.275 -5.114 1.00 . A A . 2 TYR HB3 1 1 1 23 1 1 2 TYR HD1 H 1.388 -4.288 -3.086 1.00 . A A . 2 TYR HD1 1 1 1 24 1 1 2 TYR HD2 H 3.854 -5.137 -6.448 1.00 . A A . 2 TYR HD2 1 1 1 25 1 1 2 TYR HE1 H 0.236 -6.441 -3.379 1.00 . A A . 2 TYR HE1 1 1 1 26 1 1 2 TYR HE2 H 2.708 -7.292 -6.751 1.00 . A A . 2 TYR HE2 1 1 1 27 1 1 2 TYR HH H 0.074 -8.294 -4.585 1.00 . A A . 2 TYR HH 1 1 1 28 1 1 2 TYR N N 3.086 -1.632 -2.736 1.00 . A A . 2 TYR N 1 1 1 29 1 1 2 TYR O O 5.837 -1.787 -2.886 1.00 . A A . 2 TYR O 1 1 1 30 1 1 2 TYR OH O 0.760 -8.202 -5.250 1.00 . A A . 2 TYR OH 1 1 1 31 1 1 3 PRO C C 8.078 -3.837 -3.699 1.00 . A A . 3 PRO C 1 1 1 32 1 1 3 PRO CA C 7.265 -4.149 -2.447 1.00 . A A . 3 PRO CA 1 1 1 33 1 1 3 PRO CB C 7.440 -5.617 -2.048 1.00 . A A . 3 PRO CB 1 1 1 34 1 1 3 PRO CD C 5.144 -5.337 -2.653 1.00 . A A . 3 PRO CD 1 1 1 35 1 1 3 PRO CG C 6.283 -6.319 -2.670 1.00 . A A . 3 PRO CG 1 1 1 36 1 1 3 PRO HA H 7.593 -3.513 -1.638 1.00 . A A . 3 PRO HA 1 1 1 37 1 1 3 PRO HB2 H 8.381 -5.987 -2.432 1.00 . A A . 3 PRO HB2 1 1 1 38 1 1 3 PRO HB3 H 7.424 -5.706 -0.972 1.00 . A A . 3 PRO HB3 1 1 1 39 1 1 3 PRO HD2 H 4.523 -5.464 -3.527 1.00 . A A . 3 PRO HD2 1 1 1 40 1 1 3 PRO HD3 H 4.560 -5.452 -1.752 1.00 . A A . 3 PRO HD3 1 1 1 41 1 1 3 PRO HG2 H 6.524 -6.596 -3.685 1.00 . A A . 3 PRO HG2 1 1 1 42 1 1 3 PRO HG3 H 6.030 -7.195 -2.090 1.00 . A A . 3 PRO HG3 1 1 1 43 1 1 3 PRO N N 5.822 -4.029 -2.675 1.00 . A A . 3 PRO N 1 1 1 44 1 1 3 PRO O O 8.475 -4.739 -4.434 1.00 . A A . 3 PRO O 1 1 1 45 1 1 4 GLY C C 8.368 -1.096 -5.926 1.00 . A A . 4 GLY C 1 1 1 46 1 1 4 GLY CA C 9.087 -2.143 -5.098 1.00 . A A . 4 GLY CA 1 1 1 47 1 1 4 GLY H H 7.980 -1.875 -3.313 1.00 . A A . 4 GLY H 1 1 1 48 1 1 4 GLY HA2 H 10.033 -1.739 -4.770 1.00 . A A . 4 GLY HA2 1 1 1 49 1 1 4 GLY HA3 H 9.271 -3.009 -5.716 1.00 . A A . 4 GLY HA3 1 1 1 50 1 1 4 GLY N N 8.322 -2.551 -3.934 1.00 . A A . 4 GLY N 1 1 1 51 1 1 4 GLY O O 8.748 -0.830 -7.066 1.00 . A A . 4 GLY O 1 1 1 52 1 1 5 GLN C C 7.305 1.842 -6.086 1.00 . A A . 5 GLN C 1 1 1 53 1 1 5 GLN CA C 6.550 0.517 -6.048 1.00 . A A . 5 GLN CA 1 1 1 54 1 1 5 GLN CB C 5.194 0.709 -5.367 1.00 . A A . 5 GLN CB 1 1 1 55 1 1 5 GLN CD C 2.832 -0.172 -5.536 1.00 . A A . 5 GLN CD 1 1 1 56 1 1 5 GLN CG C 4.303 -0.521 -5.427 1.00 . A A . 5 GLN CG 1 1 1 57 1 1 5 GLN H H 7.071 -0.760 -4.442 1.00 . A A . 5 GLN H 1 1 1 58 1 1 5 GLN HA H 6.390 0.179 -7.060 1.00 . A A . 5 GLN HA 1 1 1 59 1 1 5 GLN HB2 H 5.357 0.958 -4.329 1.00 . A A . 5 GLN HB2 1 1 1 60 1 1 5 GLN HB3 H 4.675 1.525 -5.848 1.00 . A A . 5 GLN HB3 1 1 1 61 1 1 5 GLN HE21 H 2.786 -0.844 -7.407 1.00 . A A . 5 GLN HE21 1 1 1 62 1 1 5 GLN HE22 H 1.294 -0.225 -6.794 1.00 . A A . 5 GLN HE22 1 1 1 63 1 1 5 GLN HG2 H 4.582 -1.110 -6.289 1.00 . A A . 5 GLN HG2 1 1 1 64 1 1 5 GLN HG3 H 4.455 -1.104 -4.531 1.00 . A A . 5 GLN HG3 1 1 1 65 1 1 5 GLN N N 7.325 -0.504 -5.353 1.00 . A A . 5 GLN N 1 1 1 66 1 1 5 GLN NE2 N 2.244 -0.440 -6.697 1.00 . A A . 5 GLN NE2 1 1 1 67 1 1 5 GLN O O 8.172 2.114 -5.255 1.00 . A A . 5 GLN O 1 1 1 68 1 1 5 GLN OE1 O 2.230 0.333 -4.588 1.00 . A A . 5 GLN OE1 1 1 1 69 1 1 6 PRO C C 7.217 4.976 -6.141 1.00 . A A . 6 PRO C 1 1 1 70 1 1 6 PRO CA C 7.605 3.996 -7.243 1.00 . A A . 6 PRO CA 1 1 1 71 1 1 6 PRO CB C 7.073 4.475 -8.596 1.00 . A A . 6 PRO CB 1 1 1 72 1 1 6 PRO CD C 5.946 2.427 -8.099 1.00 . A A . 6 PRO CD 1 1 1 73 1 1 6 PRO CG C 5.775 3.763 -8.766 1.00 . A A . 6 PRO CG 1 1 1 74 1 1 6 PRO HA H 8.681 3.913 -7.287 1.00 . A A . 6 PRO HA 1 1 1 75 1 1 6 PRO HB2 H 6.936 5.547 -8.573 1.00 . A A . 6 PRO HB2 1 1 1 76 1 1 6 PRO HB3 H 7.772 4.213 -9.376 1.00 . A A . 6 PRO HB3 1 1 1 77 1 1 6 PRO HD2 H 5.018 2.110 -7.646 1.00 . A A . 6 PRO HD2 1 1 1 78 1 1 6 PRO HD3 H 6.291 1.691 -8.810 1.00 . A A . 6 PRO HD3 1 1 1 79 1 1 6 PRO HG2 H 4.984 4.322 -8.290 1.00 . A A . 6 PRO HG2 1 1 1 80 1 1 6 PRO HG3 H 5.564 3.632 -9.817 1.00 . A A . 6 PRO HG3 1 1 1 81 1 1 6 PRO N N 6.970 2.686 -7.073 1.00 . A A . 6 PRO N 1 1 1 82 1 1 6 PRO O O 6.217 5.684 -6.250 1.00 . A A . 6 PRO O 1 1 1 83 1 1 7 GLY C C 7.788 5.206 -2.630 1.00 . A A . 7 GLY C 1 1 1 84 1 1 7 GLY CA C 7.739 5.909 -3.972 1.00 . A A . 7 GLY CA 1 1 1 85 1 1 7 GLY H H 8.800 4.424 -5.047 1.00 . A A . 7 GLY H 1 1 1 86 1 1 7 GLY HA2 H 8.469 6.705 -3.977 1.00 . A A . 7 GLY HA2 1 1 1 87 1 1 7 GLY HA3 H 6.756 6.335 -4.106 1.00 . A A . 7 GLY HA3 1 1 1 88 1 1 7 GLY N N 8.016 5.012 -5.079 1.00 . A A . 7 GLY N 1 1 1 89 1 1 7 GLY O O 8.088 5.823 -1.608 1.00 . A A . 7 GLY O 1 1 1 90 1 1 8 CYS C C 8.829 2.392 -1.237 1.00 . A A . 8 CYS C 1 1 1 91 1 1 8 CYS CA C 7.499 3.122 -1.405 1.00 . A A . 8 CYS CA 1 1 1 92 1 1 8 CYS CB C 6.349 2.114 -1.414 1.00 . A A . 8 CYS CB 1 1 1 93 1 1 8 CYS H H 7.259 3.473 -3.478 1.00 . A A . 8 CYS H 1 1 1 94 1 1 8 CYS HA H 7.367 3.799 -0.574 1.00 . A A . 8 CYS HA 1 1 1 95 1 1 8 CYS HB2 H 5.469 2.587 -1.823 1.00 . A A . 8 CYS HB2 1 1 1 96 1 1 8 CYS HB3 H 6.622 1.274 -2.035 1.00 . A A . 8 CYS HB3 1 1 1 97 1 1 8 CYS N N 7.491 3.910 -2.631 1.00 . A A . 8 CYS N 1 1 1 98 1 1 8 CYS O O 9.641 2.339 -2.159 1.00 . A A . 8 CYS O 1 1 1 99 1 1 8 CYS SG S 5.913 1.468 0.233 1.00 . A A . 8 CYS SG 1 1 1 100 1 1 9 GLY C C 10.334 0.569 1.632 1.00 . A A . 9 GLY C 1 1 1 101 1 1 9 GLY CA C 10.275 1.112 0.217 1.00 . A A . 9 GLY CA 1 1 1 102 1 1 9 GLY H H 8.360 1.906 0.648 1.00 . A A . 9 GLY H 1 1 1 103 1 1 9 GLY HA2 H 10.357 0.289 -0.477 1.00 . A A . 9 GLY HA2 1 1 1 104 1 1 9 GLY HA3 H 11.110 1.781 0.067 1.00 . A A . 9 GLY HA3 1 1 1 105 1 1 9 GLY N N 9.044 1.831 -0.051 1.00 . A A . 9 GLY N 1 1 1 106 1 1 9 GLY O O 9.393 0.737 2.408 1.00 . A A . 9 GLY O 1 1 1 107 1 1 10 HIS C C 11.772 0.443 4.345 1.00 . A A . 10 HIS C 1 1 1 108 1 1 10 HIS CA C 11.618 -0.656 3.298 1.00 . A A . 10 HIS CA 1 1 1 109 1 1 10 HIS CB C 12.840 -1.575 3.324 1.00 . A A . 10 HIS CB 1 1 1 110 1 1 10 HIS CD2 C 11.653 -3.131 5.025 1.00 . A A . 10 HIS CD2 1 1 1 111 1 1 10 HIS CE1 C 13.254 -4.607 5.282 1.00 . A A . 10 HIS CE1 1 1 1 112 1 1 10 HIS CG C 12.686 -2.751 4.239 1.00 . A A . 10 HIS CG 1 1 1 113 1 1 10 HIS H H 12.156 -0.187 1.305 1.00 . A A . 10 HIS H 1 1 1 114 1 1 10 HIS HA H 10.738 -1.236 3.530 1.00 . A A . 10 HIS HA 1 1 1 115 1 1 10 HIS HB2 H 13.020 -1.952 2.327 1.00 . A A . 10 HIS HB2 1 1 1 116 1 1 10 HIS HB3 H 13.701 -1.009 3.650 1.00 . A A . 10 HIS HB3 1 1 1 117 1 1 10 HIS HD1 H 14.552 -3.698 3.987 1.00 . A A . 10 HIS HD1 1 1 1 118 1 1 10 HIS HD2 H 10.706 -2.621 5.132 1.00 . A A . 10 HIS HD2 1 1 1 119 1 1 10 HIS HE1 H 13.815 -5.466 5.616 1.00 . A A . 10 HIS HE1 1 1 1 120 1 1 10 HIS N N 11.441 -0.086 1.967 1.00 . A A . 10 HIS N 1 1 1 121 1 1 10 HIS ND1 N 13.674 -3.695 4.423 1.00 . A A . 10 HIS ND1 1 1 1 122 1 1 10 HIS NE2 N 12.030 -4.287 5.663 1.00 . A A . 10 HIS NE2 1 1 1 123 1 1 10 HIS O O 12.692 1.258 4.274 1.00 . A A . 10 HIS O 1 1 1 124 1 1 11 CYS C C 12.153 1.307 7.229 1.00 . A A . 11 CYS C 1 1 1 125 1 1 11 CYS CA C 10.897 1.460 6.376 1.00 . A A . 11 CYS CA 1 1 1 126 1 1 11 CYS CB C 9.651 1.342 7.256 1.00 . A A . 11 CYS CB 1 1 1 127 1 1 11 CYS H H 10.154 -0.216 5.318 1.00 . A A . 11 CYS H 1 1 1 128 1 1 11 CYS HA H 10.909 2.435 5.913 1.00 . A A . 11 CYS HA 1 1 1 129 1 1 11 CYS HB2 H 9.619 2.181 7.935 1.00 . A A . 11 CYS HB2 1 1 1 130 1 1 11 CYS HB3 H 8.773 1.360 6.628 1.00 . A A . 11 CYS HB3 1 1 1 131 1 1 11 CYS N N 10.864 0.461 5.315 1.00 . A A . 11 CYS N 1 1 1 132 1 1 11 CYS O O 12.864 0.307 7.131 1.00 . A A . 11 CYS O 1 1 1 133 1 1 11 CYS SG S 9.589 -0.181 8.254 1.00 . A A . 11 CYS SG 1 1 1 134 1 1 12 SER C C 13.370 3.158 10.165 1.00 . A A . 12 SER C 1 1 1 135 1 1 12 SER CA C 13.589 2.282 8.935 1.00 . A A . 12 SER CA 1 1 1 136 1 1 12 SER CB C 14.827 2.757 8.170 1.00 . A A . 12 SER CB 1 1 1 137 1 1 12 SER H H 11.813 3.075 8.099 1.00 . A A . 12 SER H 1 1 1 138 1 1 12 SER HA H 13.744 1.263 9.256 1.00 . A A . 12 SER HA 1 1 1 139 1 1 12 SER HB2 H 15.680 2.750 8.831 1.00 . A A . 12 SER HB2 1 1 1 140 1 1 12 SER HB3 H 15.010 2.091 7.339 1.00 . A A . 12 SER HB3 1 1 1 141 1 1 12 SER HG H 15.130 4.171 6.850 1.00 . A A . 12 SER HG 1 1 1 142 1 1 12 SER N N 12.418 2.304 8.066 1.00 . A A . 12 SER N 1 1 1 143 1 1 12 SER O O 12.630 4.141 10.116 1.00 . A A . 12 SER O 1 1 1 144 1 1 12 SER OG O 14.645 4.071 7.672 1.00 . A A . 12 SER OG 1 1 1 145 1 1 13 ARG C C 13.916 5.048 12.241 1.00 . A A . 13 ARG C 1 1 1 146 1 1 13 ARG CA C 13.896 3.546 12.509 1.00 . A A . 13 ARG CA 1 1 1 147 1 1 13 ARG CB C 15.027 3.173 13.469 1.00 . A A . 13 ARG CB 1 1 1 148 1 1 13 ARG CD C 14.863 2.178 15.771 1.00 . A A . 13 ARG CD 1 1 1 149 1 1 13 ARG CG C 14.750 1.916 14.277 1.00 . A A . 13 ARG CG 1 1 1 150 1 1 13 ARG CZ C 14.087 0.128 16.885 1.00 . A A . 13 ARG CZ 1 1 1 151 1 1 13 ARG H H 14.596 2.002 11.242 1.00 . A A . 13 ARG H 1 1 1 152 1 1 13 ARG HA H 12.951 3.285 12.961 1.00 . A A . 13 ARG HA 1 1 1 153 1 1 13 ARG HB2 H 15.931 3.017 12.900 1.00 . A A . 13 ARG HB2 1 1 1 154 1 1 13 ARG HB3 H 15.182 3.990 14.158 1.00 . A A . 13 ARG HB3 1 1 1 155 1 1 13 ARG HD2 H 15.859 1.917 16.095 1.00 . A A . 13 ARG HD2 1 1 1 156 1 1 13 ARG HD3 H 14.688 3.228 15.953 1.00 . A A . 13 ARG HD3 1 1 1 157 1 1 13 ARG HE H 13.065 1.839 16.806 1.00 . A A . 13 ARG HE 1 1 1 158 1 1 13 ARG HG2 H 13.751 1.571 14.058 1.00 . A A . 13 ARG HG2 1 1 1 159 1 1 13 ARG HG3 H 15.465 1.156 13.999 1.00 . A A . 13 ARG HG3 1 1 1 160 1 1 13 ARG HH11 H 15.902 -0.015 16.011 1.00 . A A . 13 ARG HH11 1 1 1 161 1 1 13 ARG HH12 H 15.344 -1.452 16.800 1.00 . A A . 13 ARG HH12 1 1 1 162 1 1 13 ARG HH21 H 12.318 -0.047 17.848 1.00 . A A . 13 ARG HH21 1 1 1 163 1 1 13 ARG HH22 H 13.304 -1.470 17.844 1.00 . A A . 13 ARG HH22 1 1 1 164 1 1 13 ARG N N 14.020 2.795 11.266 1.00 . A A . 13 ARG N 1 1 1 165 1 1 13 ARG NE N 13.896 1.396 16.538 1.00 . A A . 13 ARG NE 1 1 1 166 1 1 13 ARG NH1 N 15.202 -0.498 16.536 1.00 . A A . 13 ARG NH1 1 1 1 167 1 1 13 ARG NH2 N 13.160 -0.516 17.583 1.00 . A A . 13 ARG NH2 1 1 1 168 1 1 13 ARG O O 14.585 5.532 11.328 1.00 . A A . 13 ARG O 1 1 1 169 1 1 14 PRO C C 11.174 4.436 13.633 1.00 . A A . 14 PRO C 1 1 1 170 1 1 14 PRO CA C 12.364 5.240 14.145 1.00 . A A . 14 PRO CA 1 1 1 171 1 1 14 PRO CB C 11.885 6.476 14.910 1.00 . A A . 14 PRO CB 1 1 1 172 1 1 14 PRO CD C 13.040 7.269 12.973 1.00 . A A . 14 PRO CD 1 1 1 173 1 1 14 PRO CG C 11.897 7.574 13.903 1.00 . A A . 14 PRO CG 1 1 1 174 1 1 14 PRO HA H 12.962 4.620 14.797 1.00 . A A . 14 PRO HA 1 1 1 175 1 1 14 PRO HB2 H 10.890 6.302 15.294 1.00 . A A . 14 PRO HB2 1 1 1 176 1 1 14 PRO HB3 H 12.560 6.683 15.727 1.00 . A A . 14 PRO HB3 1 1 1 177 1 1 14 PRO HD2 H 12.800 7.581 11.967 1.00 . A A . 14 PRO HD2 1 1 1 178 1 1 14 PRO HD3 H 13.943 7.753 13.315 1.00 . A A . 14 PRO HD3 1 1 1 179 1 1 14 PRO HG2 H 10.965 7.584 13.360 1.00 . A A . 14 PRO HG2 1 1 1 180 1 1 14 PRO HG3 H 12.058 8.521 14.395 1.00 . A A . 14 PRO HG3 1 1 1 181 1 1 14 PRO N N 13.165 5.805 13.055 1.00 . A A . 14 PRO N 1 1 1 182 1 1 14 PRO O O 10.263 4.107 14.392 1.00 . A A . 14 PRO O 1 1 1 183 1 1 15 ASN C C 10.319 1.858 11.940 1.00 . A A . 15 ASN C 1 1 1 184 1 1 15 ASN CA C 10.110 3.355 11.730 1.00 . A A . 15 ASN CA 1 1 1 185 1 1 15 ASN CB C 10.023 3.664 10.234 1.00 . A A . 15 ASN CB 1 1 1 186 1 1 15 ASN CG C 10.284 5.126 9.929 1.00 . A A . 15 ASN CG 1 1 1 187 1 1 15 ASN H H 11.943 4.411 11.788 1.00 . A A . 15 ASN H 1 1 1 188 1 1 15 ASN HA H 9.185 3.647 12.203 1.00 . A A . 15 ASN HA 1 1 1 189 1 1 15 ASN HB2 H 10.755 3.070 9.706 1.00 . A A . 15 ASN HB2 1 1 1 190 1 1 15 ASN HB3 H 9.036 3.411 9.877 1.00 . A A . 15 ASN HB3 1 1 1 191 1 1 15 ASN HD21 H 10.986 4.652 8.130 1.00 . A A . 15 ASN HD21 1 1 1 192 1 1 15 ASN HD22 H 10.983 6.336 8.515 1.00 . A A . 15 ASN HD22 1 1 1 193 1 1 15 ASN N N 11.189 4.121 12.342 1.00 . A A . 15 ASN N 1 1 1 194 1 1 15 ASN ND2 N 10.803 5.399 8.738 1.00 . A A . 15 ASN ND2 1 1 1 195 1 1 15 ASN O O 11.451 1.373 11.943 1.00 . A A . 15 ASN O 1 1 1 196 1 1 15 ASN OD1 O 10.022 6.000 10.756 1.00 . A A . 15 ASN OD1 1 1 1 197 1 1 16 TYR C C 8.125 -1.014 11.626 1.00 . A A . 16 TYR C 1 1 1 198 1 1 16 TYR CA C 9.282 -0.309 12.326 1.00 . A A . 16 TYR CA 1 1 1 199 1 1 16 TYR CB C 9.257 -0.627 13.822 1.00 . A A . 16 TYR CB 1 1 1 200 1 1 16 TYR CD1 C 7.516 0.924 14.793 1.00 . A A . 16 TYR CD1 1 1 1 201 1 1 16 TYR CD2 C 7.053 -1.414 14.771 1.00 . A A . 16 TYR CD2 1 1 1 202 1 1 16 TYR CE1 C 6.293 1.166 15.388 1.00 . A A . 16 TYR CE1 1 1 1 203 1 1 16 TYR CE2 C 5.827 -1.181 15.365 1.00 . A A . 16 TYR CE2 1 1 1 204 1 1 16 TYR CG C 7.917 -0.368 14.474 1.00 . A A . 16 TYR CG 1 1 1 205 1 1 16 TYR CZ C 5.452 0.110 15.672 1.00 . A A . 16 TYR CZ 1 1 1 206 1 1 16 TYR H H 8.347 1.575 12.101 1.00 . A A . 16 TYR H 1 1 1 207 1 1 16 TYR HA H 10.212 -0.666 11.908 1.00 . A A . 16 TYR HA 1 1 1 208 1 1 16 TYR HB2 H 9.499 -1.669 13.967 1.00 . A A . 16 TYR HB2 1 1 1 209 1 1 16 TYR HB3 H 9.994 -0.018 14.325 1.00 . A A . 16 TYR HB3 1 1 1 210 1 1 16 TYR HD1 H 8.177 1.749 14.569 1.00 . A A . 16 TYR HD1 1 1 1 211 1 1 16 TYR HD2 H 7.350 -2.424 14.529 1.00 . A A . 16 TYR HD2 1 1 1 212 1 1 16 TYR HE1 H 5.999 2.177 15.629 1.00 . A A . 16 TYR HE1 1 1 1 213 1 1 16 TYR HE2 H 5.169 -2.008 15.588 1.00 . A A . 16 TYR HE2 1 1 1 214 1 1 16 TYR HH H 4.168 -0.165 17.075 1.00 . A A . 16 TYR HH 1 1 1 215 1 1 16 TYR N N 9.220 1.132 12.114 1.00 . A A . 16 TYR N 1 1 1 216 1 1 16 TYR O O 7.311 -0.379 10.954 1.00 . A A . 16 TYR O 1 1 1 217 1 1 16 TYR OH O 4.233 0.346 16.265 1.00 . A A . 16 TYR OH 1 1 1 218 1 1 17 CYS C C 5.768 -3.181 12.072 1.00 . A A . 17 CYS C 1 1 1 219 1 1 17 CYS CA C 7.000 -3.124 11.172 1.00 . A A . 17 CYS CA 1 1 1 220 1 1 17 CYS CB C 7.500 -4.541 10.884 1.00 . A A . 17 CYS CB 1 1 1 221 1 1 17 CYS H H 8.735 -2.781 12.336 1.00 . A A . 17 CYS H 1 1 1 222 1 1 17 CYS HA H 6.729 -2.651 10.241 1.00 . A A . 17 CYS HA 1 1 1 223 1 1 17 CYS HB2 H 8.298 -4.780 11.571 1.00 . A A . 17 CYS HB2 1 1 1 224 1 1 17 CYS HB3 H 6.687 -5.237 11.028 1.00 . A A . 17 CYS HB3 1 1 1 225 1 1 17 CYS N N 8.057 -2.331 11.788 1.00 . A A . 17 CYS N 1 1 1 226 1 1 17 CYS O O 5.881 -3.357 13.284 1.00 . A A . 17 CYS O 1 1 1 227 1 1 17 CYS SG S 8.137 -4.774 9.193 1.00 . A A . 17 CYS SG 1 1 1 228 1 1 18 GLU C C 2.227 -3.687 11.379 1.00 . A A . 18 GLU C 1 1 1 229 1 1 18 GLU CA C 3.342 -3.063 12.214 1.00 . A A . 18 GLU CA 1 1 1 230 1 1 18 GLU CB C 2.941 -1.651 12.645 1.00 . A A . 18 GLU CB 1 1 1 231 1 1 18 GLU CD C 2.058 -2.829 14.698 1.00 . A A . 18 GLU CD 1 1 1 232 1 1 18 GLU CG C 1.936 -1.625 13.785 1.00 . A A . 18 GLU CG 1 1 1 233 1 1 18 GLU H H 4.569 -2.893 10.497 1.00 . A A . 18 GLU H 1 1 1 234 1 1 18 GLU HA H 3.496 -3.668 13.094 1.00 . A A . 18 GLU HA 1 1 1 235 1 1 18 GLU HB2 H 3.827 -1.120 12.961 1.00 . A A . 18 GLU HB2 1 1 1 236 1 1 18 GLU HB3 H 2.508 -1.139 11.799 1.00 . A A . 18 GLU HB3 1 1 1 237 1 1 18 GLU HG2 H 2.097 -0.731 14.369 1.00 . A A . 18 GLU HG2 1 1 1 238 1 1 18 GLU HG3 H 0.940 -1.606 13.368 1.00 . A A . 18 GLU HG3 1 1 1 239 1 1 18 GLU N N 4.594 -3.030 11.467 1.00 . A A . 18 GLU N 1 1 1 240 1 1 18 GLU O O 1.646 -3.034 10.513 1.00 . A A . 18 GLU O 1 1 1 241 1 1 18 GLU OE1 O 1.402 -3.854 14.417 1.00 . A A . 18 GLU OE1 1 1 1 242 1 1 18 GLU OE2 O 2.807 -2.747 15.693 1.00 . A A . 18 GLU OE2 1 1 1 243 1 1 19 GLY C C -0.485 -5.420 11.506 1.00 . A A . 19 GLY C 1 1 1 244 1 1 19 GLY CA C 0.891 -5.647 10.911 1.00 . A A . 19 GLY CA 1 1 1 245 1 1 19 GLY H H 2.431 -5.427 12.348 1.00 . A A . 19 GLY H 1 1 1 246 1 1 19 GLY HA2 H 0.893 -5.297 9.890 1.00 . A A . 19 GLY HA2 1 1 1 247 1 1 19 GLY HA3 H 1.103 -6.707 10.919 1.00 . A A . 19 GLY HA3 1 1 1 248 1 1 19 GLY N N 1.934 -4.956 11.646 1.00 . A A . 19 GLY N 1 1 1 249 1 1 19 GLY O O -1.478 -5.950 11.009 1.00 . A A . 19 GLY O 1 1 1 250 1 1 20 ALA C C -2.011 -2.831 13.383 1.00 . A A . 20 ALA C 1 1 1 251 1 1 20 ALA CA C -1.808 -4.335 13.236 1.00 . A A . 20 ALA CA 1 1 1 252 1 1 20 ALA CB C -1.862 -5.013 14.597 1.00 . A A . 20 ALA CB 1 1 1 253 1 1 20 ALA H H 0.283 -4.238 12.923 1.00 . A A . 20 ALA H 1 1 1 254 1 1 20 ALA HA H -2.605 -4.739 12.629 1.00 . A A . 20 ALA HA 1 1 1 255 1 1 20 ALA HB1 H -0.892 -5.430 14.829 1.00 . A A . 20 ALA HB1 1 1 1 256 1 1 20 ALA HB2 H -2.131 -4.287 15.350 1.00 . A A . 20 ALA HB2 1 1 1 257 1 1 20 ALA HB3 H -2.598 -5.802 14.578 1.00 . A A . 20 ALA HB3 1 1 1 258 1 1 20 ALA N N -0.544 -4.631 12.574 1.00 . A A . 20 ALA N 1 1 1 259 1 1 20 ALA O O -2.719 -2.210 12.589 1.00 . A A . 20 ALA O 1 1 1 260 1 1 21 ARG C C -0.295 -0.306 15.435 1.00 . A A . 21 ARG C 1 1 1 261 1 1 21 ARG CA C -1.503 -0.820 14.655 1.00 . A A . 21 ARG CA 1 1 1 262 1 1 21 ARG CB C -2.788 -0.518 15.428 1.00 . A A . 21 ARG CB 1 1 1 263 1 1 21 ARG CD C -5.154 -0.133 14.674 1.00 . A A . 21 ARG CD 1 1 1 264 1 1 21 ARG CG C -3.736 0.415 14.693 1.00 . A A . 21 ARG CG 1 1 1 265 1 1 21 ARG CZ C -5.980 0.649 16.854 1.00 . A A . 21 ARG CZ 1 1 1 266 1 1 21 ARG H H -0.838 -2.799 15.002 1.00 . A A . 21 ARG H 1 1 1 267 1 1 21 ARG HA H -1.541 -0.317 13.701 1.00 . A A . 21 ARG HA 1 1 1 268 1 1 21 ARG HB2 H -3.307 -1.446 15.617 1.00 . A A . 21 ARG HB2 1 1 1 269 1 1 21 ARG HB3 H -2.528 -0.062 16.371 1.00 . A A . 21 ARG HB3 1 1 1 270 1 1 21 ARG HD2 H -5.790 0.569 14.155 1.00 . A A . 21 ARG HD2 1 1 1 271 1 1 21 ARG HD3 H -5.154 -1.075 14.147 1.00 . A A . 21 ARG HD3 1 1 1 272 1 1 21 ARG HE H -5.811 -1.265 16.318 1.00 . A A . 21 ARG HE 1 1 1 273 1 1 21 ARG HG2 H -3.739 1.375 15.189 1.00 . A A . 21 ARG HG2 1 1 1 274 1 1 21 ARG HG3 H -3.391 0.535 13.676 1.00 . A A . 21 ARG HG3 1 1 1 275 1 1 21 ARG HH11 H -5.456 2.116 15.568 1.00 . A A . 21 ARG HH11 1 1 1 276 1 1 21 ARG HH12 H -6.040 2.653 17.108 1.00 . A A . 21 ARG HH12 1 1 1 277 1 1 21 ARG HH21 H -6.582 -0.571 18.349 1.00 . A A . 21 ARG HH21 1 1 1 278 1 1 21 ARG HH22 H -6.680 1.124 18.690 1.00 . A A . 21 ARG HH22 1 1 1 279 1 1 21 ARG N N -1.388 -2.251 14.404 1.00 . A A . 21 ARG N 1 1 1 280 1 1 21 ARG NE N -5.678 -0.341 16.021 1.00 . A A . 21 ARG NE 1 1 1 281 1 1 21 ARG NH1 N -5.811 1.909 16.479 1.00 . A A . 21 ARG NH1 1 1 1 282 1 1 21 ARG NH2 N -6.453 0.378 18.064 1.00 . A A . 21 ARG NH2 1 1 1 283 1 1 21 ARG O O 0.223 -0.989 16.319 1.00 . A A . 21 ARG O 1 1 1 284 1 1 22 CYS C C 0.984 1.788 17.234 1.00 . A A . 22 CYS C 1 1 1 285 1 1 22 CYS CA C 1.294 1.506 15.767 1.00 . A A . 22 CYS CA 1 1 1 286 1 1 22 CYS CB C 1.695 2.804 15.061 1.00 . A A . 22 CYS CB 1 1 1 287 1 1 22 CYS H H -0.307 1.397 14.387 1.00 . A A . 22 CYS H 1 1 1 288 1 1 22 CYS HA H 2.117 0.809 15.713 1.00 . A A . 22 CYS HA 1 1 1 289 1 1 22 CYS HB2 H 1.047 3.601 15.396 1.00 . A A . 22 CYS HB2 1 1 1 290 1 1 22 CYS HB3 H 2.716 3.044 15.318 1.00 . A A . 22 CYS HB3 1 1 1 291 1 1 22 CYS N N 0.148 0.901 15.100 1.00 . A A . 22 CYS N 1 1 1 292 1 1 22 CYS O O -0.151 2.102 17.589 1.00 . A A . 22 CYS O 1 1 1 293 1 1 22 CYS SG S 1.582 2.727 13.244 1.00 . A A . 22 CYS SG 1 1 1 294 1 1 23 GLU C C 1.466 3.369 19.776 1.00 . A A . 23 GLU C 1 1 1 295 1 1 23 GLU CA C 1.838 1.913 19.510 1.00 . A A . 23 GLU CA 1 1 1 296 1 1 23 GLU CB C 3.123 1.558 20.261 1.00 . A A . 23 GLU CB 1 1 1 297 1 1 23 GLU CD C 5.502 1.127 19.530 1.00 . A A . 23 GLU CD 1 1 1 298 1 1 23 GLU CG C 4.377 2.139 19.630 1.00 . A A . 23 GLU CG 1 1 1 299 1 1 23 GLU H H 2.884 1.418 17.738 1.00 . A A . 23 GLU H 1 1 1 300 1 1 23 GLU HA H 1.039 1.280 19.863 1.00 . A A . 23 GLU HA 1 1 1 301 1 1 23 GLU HB2 H 3.049 1.929 21.273 1.00 . A A . 23 GLU HB2 1 1 1 302 1 1 23 GLU HB3 H 3.224 0.483 20.288 1.00 . A A . 23 GLU HB3 1 1 1 303 1 1 23 GLU HG2 H 4.137 2.487 18.636 1.00 . A A . 23 GLU HG2 1 1 1 304 1 1 23 GLU HG3 H 4.714 2.972 20.229 1.00 . A A . 23 GLU HG3 1 1 1 305 1 1 23 GLU N N 2.003 1.672 18.081 1.00 . A A . 23 GLU N 1 1 1 306 1 1 23 GLU O O 1.497 4.204 18.873 1.00 . A A . 23 GLU O 1 1 1 307 1 1 23 GLU OE1 O 5.712 0.581 18.426 1.00 . A A . 23 GLU OE1 1 1 1 308 1 1 23 GLU OE2 O 6.172 0.881 20.554 1.00 . A A . 23 GLU OE2 1 1 1 309 1 1 24 SER C C 1.943 5.944 21.419 1.00 . A A . 24 SER C 1 1 1 310 1 1 24 SER CA C 0.730 5.018 21.409 1.00 . A A . 24 SER CA 1 1 1 311 1 1 24 SER CB C 0.069 5.010 22.789 1.00 . A A . 24 SER CB 1 1 1 312 1 1 24 SER H H 1.108 2.955 21.699 1.00 . A A . 24 SER H 1 1 1 313 1 1 24 SER HA H 0.020 5.382 20.681 1.00 . A A . 24 SER HA 1 1 1 314 1 1 24 SER HB2 H 0.093 4.009 23.191 1.00 . A A . 24 SER HB2 1 1 1 315 1 1 24 SER HB3 H 0.609 5.675 23.447 1.00 . A A . 24 SER HB3 1 1 1 316 1 1 24 SER HG H -1.451 6.082 23.403 1.00 . A A . 24 SER HG 1 1 1 317 1 1 24 SER N N 1.113 3.665 21.023 1.00 . A A . 24 SER N 1 1 1 318 1 1 24 SER O O 2.049 6.837 22.258 1.00 . A A . 24 SER O 1 1 1 319 1 1 24 SER OG O -1.279 5.439 22.711 1.00 . A A . 24 SER OG 1 1 1 320 1 1 25 GLY C C 4.554 6.692 18.973 1.00 . A A . 25 GLY C 1 1 1 321 1 1 25 GLY CA C 4.049 6.544 20.395 1.00 . A A . 25 GLY CA 1 1 1 322 1 1 25 GLY H H 2.718 4.995 19.835 1.00 . A A . 25 GLY H 1 1 1 323 1 1 25 GLY HA2 H 3.827 7.523 20.791 1.00 . A A . 25 GLY HA2 1 1 1 324 1 1 25 GLY HA3 H 4.826 6.091 20.994 1.00 . A A . 25 GLY HA3 1 1 1 325 1 1 25 GLY N N 2.856 5.722 20.478 1.00 . A A . 25 GLY N 1 1 1 326 1 1 25 GLY O O 5.487 7.452 18.714 1.00 . A A . 25 GLY O 1 1 1 327 1 1 26 PHE C C 3.148 6.408 15.764 1.00 . A A . 26 PHE C 1 1 1 328 1 1 26 PHE CA C 4.329 6.015 16.646 1.00 . A A . 26 PHE CA 1 1 1 329 1 1 26 PHE CB C 4.886 4.661 16.200 1.00 . A A . 26 PHE CB 1 1 1 330 1 1 26 PHE CD1 C 6.175 4.146 18.290 1.00 . A A . 26 PHE CD1 1 1 1 331 1 1 26 PHE CD2 C 7.313 4.024 16.198 1.00 . A A . 26 PHE CD2 1 1 1 332 1 1 26 PHE CE1 C 7.336 3.785 18.947 1.00 . A A . 26 PHE CE1 1 1 1 333 1 1 26 PHE CE2 C 8.477 3.662 16.849 1.00 . A A . 26 PHE CE2 1 1 1 334 1 1 26 PHE CG C 6.149 4.269 16.910 1.00 . A A . 26 PHE CG 1 1 1 335 1 1 26 PHE CZ C 8.489 3.544 18.226 1.00 . A A . 26 PHE CZ 1 1 1 336 1 1 26 PHE H H 3.198 5.376 18.318 1.00 . A A . 26 PHE H 1 1 1 337 1 1 26 PHE HA H 5.101 6.762 16.546 1.00 . A A . 26 PHE HA 1 1 1 338 1 1 26 PHE HB2 H 4.148 3.897 16.390 1.00 . A A . 26 PHE HB2 1 1 1 339 1 1 26 PHE HB3 H 5.096 4.698 15.142 1.00 . A A . 26 PHE HB3 1 1 1 340 1 1 26 PHE HD1 H 5.273 4.335 18.856 1.00 . A A . 26 PHE HD1 1 1 1 341 1 1 26 PHE HD2 H 7.305 4.117 15.122 1.00 . A A . 26 PHE HD2 1 1 1 342 1 1 26 PHE HE1 H 7.342 3.693 20.023 1.00 . A A . 26 PHE HE1 1 1 1 343 1 1 26 PHE HE2 H 9.377 3.474 16.283 1.00 . A A . 26 PHE HE2 1 1 1 344 1 1 26 PHE HZ H 9.397 3.261 18.737 1.00 . A A . 26 PHE HZ 1 1 1 345 1 1 26 PHE N N 3.936 5.963 18.049 1.00 . A A . 26 PHE N 1 1 1 346 1 1 26 PHE O O 2.038 6.621 16.252 1.00 . A A . 26 PHE O 1 1 1 347 1 1 27 HIS C C 2.395 5.965 12.281 1.00 . A A . 27 HIS C 1 1 1 348 1 1 27 HIS CA C 2.352 6.869 13.509 1.00 . A A . 27 HIS CA 1 1 1 349 1 1 27 HIS CB C 2.508 8.330 13.088 1.00 . A A . 27 HIS CB 1 1 1 350 1 1 27 HIS CD2 C 4.774 8.550 11.844 1.00 . A A . 27 HIS CD2 1 1 1 351 1 1 27 HIS CE1 C 5.871 9.674 13.373 1.00 . A A . 27 HIS CE1 1 1 1 352 1 1 27 HIS CG C 3.933 8.746 12.886 1.00 . A A . 27 HIS CG 1 1 1 353 1 1 27 HIS H H 4.300 6.320 14.132 1.00 . A A . 27 HIS H 1 1 1 354 1 1 27 HIS HA H 1.398 6.745 13.999 1.00 . A A . 27 HIS HA 1 1 1 355 1 1 27 HIS HB2 H 1.983 8.488 12.157 1.00 . A A . 27 HIS HB2 1 1 1 356 1 1 27 HIS HB3 H 2.081 8.966 13.850 1.00 . A A . 27 HIS HB3 1 1 1 357 1 1 27 HIS HD1 H 4.316 9.749 14.700 1.00 . A A . 27 HIS HD1 1 1 1 358 1 1 27 HIS HD2 H 4.545 8.030 10.924 1.00 . A A . 27 HIS HD2 1 1 1 359 1 1 27 HIS HE1 H 6.654 10.205 13.894 1.00 . A A . 27 HIS HE1 1 1 1 360 1 1 27 HIS N N 3.395 6.502 14.461 1.00 . A A . 27 HIS N 1 1 1 361 1 1 27 HIS ND1 N 4.651 9.453 13.828 1.00 . A A . 27 HIS ND1 1 1 1 362 1 1 27 HIS NE2 N 5.972 9.137 12.170 1.00 . A A . 27 HIS NE2 1 1 1 363 1 1 27 HIS O O 3.462 5.711 11.722 1.00 . A A . 27 HIS O 1 1 1 364 1 1 28 ASP C C 1.639 5.312 9.450 1.00 . A A . 28 ASP C 1 1 1 365 1 1 28 ASP CA C 1.133 4.607 10.704 1.00 . A A . 28 ASP CA 1 1 1 366 1 1 28 ASP CB C -0.313 4.152 10.500 1.00 . A A . 28 ASP CB 1 1 1 367 1 1 28 ASP CG C -0.553 3.595 9.111 1.00 . A A . 28 ASP CG 1 1 1 368 1 1 28 ASP H H 0.412 5.722 12.354 1.00 . A A . 28 ASP H 1 1 1 369 1 1 28 ASP HA H 1.751 3.742 10.889 1.00 . A A . 28 ASP HA 1 1 1 370 1 1 28 ASP HB2 H -0.546 3.382 11.221 1.00 . A A . 28 ASP HB2 1 1 1 371 1 1 28 ASP HB3 H -0.973 4.993 10.650 1.00 . A A . 28 ASP HB3 1 1 1 372 1 1 28 ASP N N 1.229 5.483 11.867 1.00 . A A . 28 ASP N 1 1 1 373 1 1 28 ASP O O 1.059 6.303 9.004 1.00 . A A . 28 ASP O 1 1 1 374 1 1 28 ASP OD1 O 0.384 2.997 8.540 1.00 . A A . 28 ASP OD1 1 1 1 375 1 1 28 ASP OD2 O -1.678 3.756 8.594 1.00 . A A . 28 ASP OD2 1 1 1 376 1 1 29 CYS C C 3.416 4.336 6.571 1.00 . A A . 29 CYS C 1 1 1 377 1 1 29 CYS CA C 3.312 5.376 7.683 1.00 . A A . 29 CYS CA 1 1 1 378 1 1 29 CYS CB C 4.697 5.949 7.991 1.00 . A A . 29 CYS CB 1 1 1 379 1 1 29 CYS H H 3.144 4.005 9.286 1.00 . A A . 29 CYS H 1 1 1 380 1 1 29 CYS HA H 2.667 6.176 7.351 1.00 . A A . 29 CYS HA 1 1 1 381 1 1 29 CYS HB2 H 5.192 6.194 7.062 1.00 . A A . 29 CYS HB2 1 1 1 382 1 1 29 CYS HB3 H 4.583 6.848 8.579 1.00 . A A . 29 CYS HB3 1 1 1 383 1 1 29 CYS N N 2.726 4.796 8.885 1.00 . A A . 29 CYS N 1 1 1 384 1 1 29 CYS O O 4.246 4.454 5.671 1.00 . A A . 29 CYS O 1 1 1 385 1 1 29 CYS SG S 5.782 4.815 8.914 1.00 . A A . 29 CYS SG 1 1 1 386 1 1 30 GLY C C 2.348 2.805 4.238 1.00 . A A . 30 GLY C 1 1 1 387 1 1 30 GLY CA C 2.579 2.268 5.637 1.00 . A A . 30 GLY CA 1 1 1 388 1 1 30 GLY H H 1.927 3.272 7.383 1.00 . A A . 30 GLY H 1 1 1 389 1 1 30 GLY HA2 H 3.536 1.768 5.666 1.00 . A A . 30 GLY HA2 1 1 1 390 1 1 30 GLY HA3 H 1.803 1.554 5.869 1.00 . A A . 30 GLY HA3 1 1 1 391 1 1 30 GLY N N 2.567 3.315 6.642 1.00 . A A . 30 GLY N 1 1 1 392 1 1 30 GLY O O 2.492 2.078 3.256 1.00 . A A . 30 GLY O 1 1 1 393 1 1 31 SER C C 2.835 4.381 1.861 1.00 . A A . 31 SER C 1 1 1 394 1 1 31 SER CA C 1.731 4.713 2.859 1.00 . A A . 31 SER CA 1 1 1 395 1 1 31 SER CB C 1.617 6.230 3.025 1.00 . A A . 31 SER CB 1 1 1 396 1 1 31 SER H H 1.890 4.609 4.968 1.00 . A A . 31 SER H 1 1 1 397 1 1 31 SER HA H 0.794 4.330 2.483 1.00 . A A . 31 SER HA 1 1 1 398 1 1 31 SER HB2 H 2.185 6.718 2.247 1.00 . A A . 31 SER HB2 1 1 1 399 1 1 31 SER HB3 H 0.580 6.521 2.950 1.00 . A A . 31 SER HB3 1 1 1 400 1 1 31 SER HG H 1.573 7.355 4.628 1.00 . A A . 31 SER HG 1 1 1 401 1 1 31 SER N N 1.988 4.081 4.148 1.00 . A A . 31 SER N 1 1 1 402 1 1 31 SER O O 2.618 3.639 0.902 1.00 . A A . 31 SER O 1 1 1 403 1 1 31 SER OG O 2.119 6.644 4.284 1.00 . A A . 31 SER OG 1 1 1 404 1 1 32 ASP C C 6.181 3.782 1.886 1.00 . A A . 32 ASP C 1 1 1 405 1 1 32 ASP CA C 5.161 4.697 1.216 1.00 . A A . 32 ASP CA 1 1 1 406 1 1 32 ASP CB C 5.820 6.022 0.831 1.00 . A A . 32 ASP CB 1 1 1 407 1 1 32 ASP CG C 6.001 6.945 2.020 1.00 . A A . 32 ASP CG 1 1 1 408 1 1 32 ASP H H 4.131 5.517 2.874 1.00 . A A . 32 ASP H 1 1 1 409 1 1 32 ASP HA H 4.796 4.214 0.322 1.00 . A A . 32 ASP HA 1 1 1 410 1 1 32 ASP HB2 H 6.792 5.822 0.403 1.00 . A A . 32 ASP HB2 1 1 1 411 1 1 32 ASP HB3 H 5.205 6.523 0.098 1.00 . A A . 32 ASP HB3 1 1 1 412 1 1 32 ASP N N 4.020 4.934 2.093 1.00 . A A . 32 ASP N 1 1 1 413 1 1 32 ASP O O 7.379 3.866 1.614 1.00 . A A . 32 ASP O 1 1 1 414 1 1 32 ASP OD1 O 4.983 7.325 2.637 1.00 . A A . 32 ASP OD1 1 1 1 415 1 1 32 ASP OD2 O 7.160 7.288 2.334 1.00 . A A . 32 ASP OD2 1 1 1 416 1 1 33 HIS C C 5.843 0.669 3.764 1.00 . A A . 33 HIS C 1 1 1 417 1 1 33 HIS CA C 6.569 1.979 3.476 1.00 . A A . 33 HIS CA 1 1 1 418 1 1 33 HIS CB C 7.058 2.603 4.783 1.00 . A A . 33 HIS CB 1 1 1 419 1 1 33 HIS CD2 C 8.717 4.380 3.879 1.00 . A A . 33 HIS CD2 1 1 1 420 1 1 33 HIS CE1 C 7.889 6.138 4.894 1.00 . A A . 33 HIS CE1 1 1 1 421 1 1 33 HIS CG C 7.656 3.965 4.610 1.00 . A A . 33 HIS CG 1 1 1 422 1 1 33 HIS H H 4.735 2.891 2.940 1.00 . A A . 33 HIS H 1 1 1 423 1 1 33 HIS HA H 7.420 1.774 2.845 1.00 . A A . 33 HIS HA 1 1 1 424 1 1 33 HIS HB2 H 6.226 2.691 5.466 1.00 . A A . 33 HIS HB2 1 1 1 425 1 1 33 HIS HB3 H 7.810 1.962 5.221 1.00 . A A . 33 HIS HB3 1 1 1 426 1 1 33 HIS HD1 H 6.388 5.116 5.837 1.00 . A A . 33 HIS HD1 1 1 1 427 1 1 33 HIS HD2 H 9.350 3.761 3.258 1.00 . A A . 33 HIS HD2 1 1 1 428 1 1 33 HIS HE1 H 7.734 7.152 5.230 1.00 . A A . 33 HIS HE1 1 1 1 429 1 1 33 HIS N N 5.699 2.910 2.766 1.00 . A A . 33 HIS N 1 1 1 430 1 1 33 HIS ND1 N 7.161 5.090 5.235 1.00 . A A . 33 HIS ND1 1 1 1 431 1 1 33 HIS NE2 N 8.841 5.734 4.072 1.00 . A A . 33 HIS NE2 1 1 1 432 1 1 33 HIS O O 4.783 0.660 4.390 1.00 . A A . 33 HIS O 1 1 1 433 1 1 34 TRP C C 6.770 -2.655 4.297 1.00 . A A . 34 TRP C 1 1 1 434 1 1 34 TRP CA C 5.827 -1.751 3.510 1.00 . A A . 34 TRP CA 1 1 1 435 1 1 34 TRP CB C 5.485 -2.397 2.167 1.00 . A A . 34 TRP CB 1 1 1 436 1 1 34 TRP CD1 C 6.092 -1.303 -0.070 1.00 . A A . 34 TRP CD1 1 1 1 437 1 1 34 TRP CD2 C 7.819 -2.267 0.982 1.00 . A A . 34 TRP CD2 1 1 1 438 1 1 34 TRP CE2 C 8.283 -1.708 -0.225 1.00 . A A . 34 TRP CE2 1 1 1 439 1 1 34 TRP CE3 C 8.729 -2.926 1.813 1.00 . A A . 34 TRP CE3 1 1 1 440 1 1 34 TRP CG C 6.415 -1.996 1.061 1.00 . A A . 34 TRP CG 1 1 1 441 1 1 34 TRP CH2 C 10.485 -2.440 0.215 1.00 . A A . 34 TRP CH2 1 1 1 442 1 1 34 TRP CZ2 C 9.616 -1.790 -0.618 1.00 . A A . 34 TRP CZ2 1 1 1 443 1 1 34 TRP CZ3 C 10.051 -3.007 1.421 1.00 . A A . 34 TRP CZ3 1 1 1 444 1 1 34 TRP H H 7.265 -0.363 2.811 1.00 . A A . 34 TRP H 1 1 1 445 1 1 34 TRP HA H 4.918 -1.618 4.078 1.00 . A A . 34 TRP HA 1 1 1 446 1 1 34 TRP HB2 H 5.531 -3.471 2.268 1.00 . A A . 34 TRP HB2 1 1 1 447 1 1 34 TRP HB3 H 4.484 -2.108 1.882 1.00 . A A . 34 TRP HB3 1 1 1 448 1 1 34 TRP HD1 H 5.099 -0.953 -0.306 1.00 . A A . 34 TRP HD1 1 1 1 449 1 1 34 TRP HE1 H 7.237 -0.658 -1.709 1.00 . A A . 34 TRP HE1 1 1 1 450 1 1 34 TRP HE3 H 8.413 -3.369 2.746 1.00 . A A . 34 TRP HE3 1 1 1 451 1 1 34 TRP HH2 H 11.527 -2.528 -0.051 1.00 . A A . 34 TRP HH2 1 1 1 452 1 1 34 TRP HZ2 H 9.966 -1.358 -1.544 1.00 . A A . 34 TRP HZ2 1 1 1 453 1 1 34 TRP HZ3 H 10.769 -3.512 2.050 1.00 . A A . 34 TRP HZ3 1 1 1 454 1 1 34 TRP N N 6.420 -0.435 3.303 1.00 . A A . 34 TRP N 1 1 1 455 1 1 34 TRP NE1 N 7.211 -1.126 -0.848 1.00 . A A . 34 TRP NE1 1 1 1 456 1 1 34 TRP O O 7.940 -2.325 4.496 1.00 . A A . 34 TRP O 1 1 1 457 1 1 35 CYS C C 7.442 -5.946 4.647 1.00 . A A . 35 CYS C 1 1 1 458 1 1 35 CYS CA C 7.051 -4.748 5.508 1.00 . A A . 35 CYS CA 1 1 1 459 1 1 35 CYS CB C 6.274 -5.222 6.737 1.00 . A A . 35 CYS CB 1 1 1 460 1 1 35 CYS H H 5.316 -4.004 4.551 1.00 . A A . 35 CYS H 1 1 1 461 1 1 35 CYS HA H 7.949 -4.245 5.832 1.00 . A A . 35 CYS HA 1 1 1 462 1 1 35 CYS HB2 H 5.228 -5.307 6.482 1.00 . A A . 35 CYS HB2 1 1 1 463 1 1 35 CYS HB3 H 6.646 -6.190 7.037 1.00 . A A . 35 CYS HB3 1 1 1 464 1 1 35 CYS N N 6.255 -3.796 4.742 1.00 . A A . 35 CYS N 1 1 1 465 1 1 35 CYS O O 6.947 -6.111 3.532 1.00 . A A . 35 CYS O 1 1 1 466 1 1 35 CYS SG S 6.404 -4.108 8.173 1.00 . A A . 35 CYS SG 1 1 1 467 1 1 36 ASP C C 7.611 -8.730 3.865 1.00 . A A . 36 ASP C 1 1 1 468 1 1 36 ASP CA C 8.790 -7.963 4.455 1.00 . A A . 36 ASP CA 1 1 1 469 1 1 36 ASP CB C 9.592 -8.873 5.386 1.00 . A A . 36 ASP CB 1 1 1 470 1 1 36 ASP CG C 11.065 -8.515 5.420 1.00 . A A . 36 ASP CG 1 1 1 471 1 1 36 ASP H H 8.692 -6.594 6.066 1.00 . A A . 36 ASP H 1 1 1 472 1 1 36 ASP HA H 9.430 -7.636 3.649 1.00 . A A . 36 ASP HA 1 1 1 473 1 1 36 ASP HB2 H 9.197 -8.789 6.388 1.00 . A A . 36 ASP HB2 1 1 1 474 1 1 36 ASP HB3 H 9.496 -9.895 5.051 1.00 . A A . 36 ASP HB3 1 1 1 475 1 1 36 ASP N N 8.333 -6.779 5.173 1.00 . A A . 36 ASP N 1 1 1 476 1 1 36 ASP O O 7.687 -9.242 2.748 1.00 . A A . 36 ASP O 1 1 1 477 1 1 36 ASP OD1 O 11.544 -7.883 4.456 1.00 . A A . 36 ASP OD1 1 1 1 478 1 1 36 ASP OD2 O 11.737 -8.866 6.411 1.00 . A A . 36 ASP OD2 1 1 1 479 1 1 37 ALA C C 4.346 -8.552 3.504 1.00 . A A . 37 ALA C 1 1 1 480 1 1 37 ALA CA C 5.326 -9.508 4.174 1.00 . A A . 37 ALA CA 1 1 1 481 1 1 37 ALA CB C 4.660 -10.215 5.345 1.00 . A A . 37 ALA CB 1 1 1 482 1 1 37 ALA H H 6.522 -8.376 5.503 1.00 . A A . 37 ALA H 1 1 1 483 1 1 37 ALA HA H 5.629 -10.258 3.458 1.00 . A A . 37 ALA HA 1 1 1 484 1 1 37 ALA HB1 H 4.352 -11.204 5.039 1.00 . A A . 37 ALA HB1 1 1 1 485 1 1 37 ALA HB2 H 5.359 -10.293 6.164 1.00 . A A . 37 ALA HB2 1 1 1 486 1 1 37 ALA HB3 H 3.796 -9.651 5.662 1.00 . A A . 37 ALA HB3 1 1 1 487 1 1 37 ALA N N 6.522 -8.805 4.623 1.00 . A A . 37 ALA N 1 1 1 488 1 1 37 ALA O O 3.913 -7.569 4.106 1.00 . A A . 37 ALA O 1 1 1 489 1 1 38 SER C C 1.729 -7.909 2.214 1.00 . A A . 38 SER C 1 1 1 490 1 1 38 SER CA C 3.074 -8.009 1.501 1.00 . A A . 38 SER CA 1 1 1 491 1 1 38 SER CB C 2.877 -8.571 0.092 1.00 . A A . 38 SER CB 1 1 1 492 1 1 38 SER H H 4.379 -9.643 1.829 1.00 . A A . 38 SER H 1 1 1 493 1 1 38 SER HA H 3.504 -7.021 1.428 1.00 . A A . 38 SER HA 1 1 1 494 1 1 38 SER HB2 H 2.222 -7.918 -0.465 1.00 . A A . 38 SER HB2 1 1 1 495 1 1 38 SER HB3 H 3.834 -8.630 -0.406 1.00 . A A . 38 SER HB3 1 1 1 496 1 1 38 SER HG H 1.518 -9.886 -0.417 1.00 . A A . 38 SER HG 1 1 1 497 1 1 38 SER N N 4.000 -8.845 2.255 1.00 . A A . 38 SER N 1 1 1 498 1 1 38 SER O O 0.766 -8.579 1.843 1.00 . A A . 38 SER O 1 1 1 499 1 1 38 SER OG O 2.303 -9.865 0.135 1.00 . A A . 38 SER OG 1 1 1 500 1 1 39 GLY C C 0.645 -6.100 5.265 1.00 . A A . 39 GLY C 1 1 1 501 1 1 39 GLY CA C 0.440 -6.892 3.989 1.00 . A A . 39 GLY CA 1 1 1 502 1 1 39 GLY H H 2.470 -6.557 3.490 1.00 . A A . 39 GLY H 1 1 1 503 1 1 39 GLY HA2 H -0.277 -6.377 3.369 1.00 . A A . 39 GLY HA2 1 1 1 504 1 1 39 GLY HA3 H 0.047 -7.866 4.244 1.00 . A A . 39 GLY HA3 1 1 1 505 1 1 39 GLY N N 1.671 -7.065 3.240 1.00 . A A . 39 GLY N 1 1 1 506 1 1 39 GLY O O -0.299 -5.516 5.800 1.00 . A A . 39 GLY O 1 1 1 507 1 1 40 ASP C C 2.605 -3.915 6.664 1.00 . A A . 40 ASP C 1 1 1 508 1 1 40 ASP CA C 2.205 -5.354 6.978 1.00 . A A . 40 ASP CA 1 1 1 509 1 1 40 ASP CB C 3.334 -6.059 7.730 1.00 . A A . 40 ASP CB 1 1 1 510 1 1 40 ASP CG C 2.818 -7.058 8.746 1.00 . A A . 40 ASP CG 1 1 1 511 1 1 40 ASP H H 2.589 -6.565 5.284 1.00 . A A . 40 ASP H 1 1 1 512 1 1 40 ASP HA H 1.323 -5.341 7.601 1.00 . A A . 40 ASP HA 1 1 1 513 1 1 40 ASP HB2 H 3.957 -6.584 7.021 1.00 . A A . 40 ASP HB2 1 1 1 514 1 1 40 ASP HB3 H 3.929 -5.320 8.247 1.00 . A A . 40 ASP HB3 1 1 1 515 1 1 40 ASP N N 1.879 -6.080 5.756 1.00 . A A . 40 ASP N 1 1 1 516 1 1 40 ASP O O 3.411 -3.666 5.768 1.00 . A A . 40 ASP O 1 1 1 517 1 1 40 ASP OD1 O 3.362 -7.096 9.870 1.00 . A A . 40 ASP OD1 1 1 1 518 1 1 40 ASP OD2 O 1.869 -7.801 8.419 1.00 . A A . 40 ASP OD2 1 1 1 519 1 1 41 ARG C C 3.441 -1.097 8.150 1.00 . A A . 41 ARG C 1 1 1 520 1 1 41 ARG CA C 2.333 -1.559 7.209 1.00 . A A . 41 ARG CA 1 1 1 521 1 1 41 ARG CB C 1.076 -0.716 7.432 1.00 . A A . 41 ARG CB 1 1 1 522 1 1 41 ARG CD C -1.147 -0.495 8.583 1.00 . A A . 41 ARG CD 1 1 1 523 1 1 41 ARG CG C -0.006 -1.433 8.223 1.00 . A A . 41 ARG CG 1 1 1 524 1 1 41 ARG CZ C -2.024 0.414 6.474 1.00 . A A . 41 ARG CZ 1 1 1 525 1 1 41 ARG H H 1.402 -3.233 8.109 1.00 . A A . 41 ARG H 1 1 1 526 1 1 41 ARG HA H 2.665 -1.431 6.190 1.00 . A A . 41 ARG HA 1 1 1 527 1 1 41 ARG HB2 H 1.348 0.181 7.968 1.00 . A A . 41 ARG HB2 1 1 1 528 1 1 41 ARG HB3 H 0.666 -0.442 6.471 1.00 . A A . 41 ARG HB3 1 1 1 529 1 1 41 ARG HD2 H -1.629 -0.862 9.477 1.00 . A A . 41 ARG HD2 1 1 1 530 1 1 41 ARG HD3 H -0.742 0.488 8.771 1.00 . A A . 41 ARG HD3 1 1 1 531 1 1 41 ARG HE H -2.928 -0.980 7.577 1.00 . A A . 41 ARG HE 1 1 1 532 1 1 41 ARG HG2 H -0.396 -2.245 7.628 1.00 . A A . 41 ARG HG2 1 1 1 533 1 1 41 ARG HG3 H 0.427 -1.826 9.132 1.00 . A A . 41 ARG HG3 1 1 1 534 1 1 41 ARG HH11 H -0.253 1.188 7.063 1.00 . A A . 41 ARG HH11 1 1 1 535 1 1 41 ARG HH12 H -0.882 1.821 5.578 1.00 . A A . 41 ARG HH12 1 1 1 536 1 1 41 ARG HH21 H -3.766 -0.156 5.623 1.00 . A A . 41 ARG HH21 1 1 1 537 1 1 41 ARG HH22 H -2.881 1.056 4.760 1.00 . A A . 41 ARG HH22 1 1 1 538 1 1 41 ARG N N 2.037 -2.973 7.409 1.00 . A A . 41 ARG N 1 1 1 539 1 1 41 ARG NE N -2.138 -0.404 7.515 1.00 . A A . 41 ARG NE 1 1 1 540 1 1 41 ARG NH1 N -0.967 1.207 6.363 1.00 . A A . 41 ARG NH1 1 1 1 541 1 1 41 ARG NH2 N -2.968 0.440 5.542 1.00 . A A . 41 ARG NH2 1 1 1 542 1 1 41 ARG O O 3.407 -1.374 9.350 1.00 . A A . 41 ARG O 1 1 1 543 1 1 42 CYS C C 5.157 1.381 9.133 1.00 . A A . 42 CYS C 1 1 1 544 1 1 42 CYS CA C 5.543 0.107 8.387 1.00 . A A . 42 CYS CA 1 1 1 545 1 1 42 CYS CB C 6.749 0.377 7.485 1.00 . A A . 42 CYS CB 1 1 1 546 1 1 42 CYS H H 4.395 -0.204 6.636 1.00 . A A . 42 CYS H 1 1 1 547 1 1 42 CYS HA H 5.806 -0.651 9.108 1.00 . A A . 42 CYS HA 1 1 1 548 1 1 42 CYS HB2 H 6.399 0.632 6.496 1.00 . A A . 42 CYS HB2 1 1 1 549 1 1 42 CYS HB3 H 7.311 1.206 7.888 1.00 . A A . 42 CYS HB3 1 1 1 550 1 1 42 CYS N N 4.423 -0.392 7.599 1.00 . A A . 42 CYS N 1 1 1 551 1 1 42 CYS O O 4.635 2.327 8.541 1.00 . A A . 42 CYS O 1 1 1 552 1 1 42 CYS SG S 7.886 -1.037 7.321 1.00 . A A . 42 CYS SG 1 1 1 553 1 1 43 CYS C C 6.324 3.444 11.454 1.00 . A A . 43 CYS C 1 1 1 554 1 1 43 CYS CA C 5.098 2.556 11.264 1.00 . A A . 43 CYS CA 1 1 1 555 1 1 43 CYS CB C 4.567 2.103 12.626 1.00 . A A . 43 CYS CB 1 1 1 556 1 1 43 CYS H H 5.834 0.615 10.852 1.00 . A A . 43 CYS H 1 1 1 557 1 1 43 CYS HA H 4.331 3.124 10.760 1.00 . A A . 43 CYS HA 1 1 1 558 1 1 43 CYS HB2 H 5.232 1.355 13.033 1.00 . A A . 43 CYS HB2 1 1 1 559 1 1 43 CYS HB3 H 4.537 2.952 13.293 1.00 . A A . 43 CYS HB3 1 1 1 560 1 1 43 CYS N N 5.417 1.399 10.436 1.00 . A A . 43 CYS N 1 1 1 561 1 1 43 CYS O O 7.459 3.002 11.273 1.00 . A A . 43 CYS O 1 1 1 562 1 1 43 CYS SG S 2.894 1.382 12.570 1.00 . A A . 43 CYS SG 1 1 1 563 1 1 44 CYS C C 6.942 6.456 13.311 1.00 . A A . 44 CYS C 1 1 1 564 1 1 44 CYS CA C 7.170 5.652 12.034 1.00 . A A . 44 CYS CA 1 1 1 565 1 1 44 CYS CB C 7.290 6.597 10.837 1.00 . A A . 44 CYS CB 1 1 1 566 1 1 44 CYS H H 5.160 4.994 11.949 1.00 . A A . 44 CYS H 1 1 1 567 1 1 44 CYS HA H 8.088 5.093 12.134 1.00 . A A . 44 CYS HA 1 1 1 568 1 1 44 CYS HB2 H 6.392 7.193 10.768 1.00 . A A . 44 CYS HB2 1 1 1 569 1 1 44 CYS HB3 H 8.138 7.249 10.987 1.00 . A A . 44 CYS HB3 1 1 1 570 1 1 44 CYS N N 6.087 4.700 11.820 1.00 . A A . 44 CYS N 1 1 1 571 1 1 44 CYS O O 5.856 6.990 13.535 1.00 . A A . 44 CYS O 1 1 1 572 1 1 44 CYS SG S 7.516 5.750 9.241 1.00 . A A . 44 CYS SG 1 1 1 573 1 1 45 ALA C C 8.040 8.777 15.160 1.00 . A A . 45 ALA C 1 1 1 574 1 1 45 ALA CA C 7.888 7.278 15.397 1.00 . A A . 45 ALA CA 1 1 1 575 1 1 45 ALA CB C 8.945 6.786 16.374 1.00 . A A . 45 ALA CB 1 1 1 576 1 1 45 ALA H H 8.814 6.090 13.910 1.00 . A A . 45 ALA H 1 1 1 577 1 1 45 ALA HA H 6.917 7.089 15.830 1.00 . A A . 45 ALA HA 1 1 1 578 1 1 45 ALA HB1 H 9.820 7.417 16.304 1.00 . A A . 45 ALA HB1 1 1 1 579 1 1 45 ALA HB2 H 8.553 6.826 17.379 1.00 . A A . 45 ALA HB2 1 1 1 580 1 1 45 ALA HB3 H 9.214 5.769 16.132 1.00 . A A . 45 ALA HB3 1 1 1 581 1 1 45 ALA N N 7.974 6.537 14.144 1.00 . A A . 45 ALA N 1 1 1 582 1 1 45 ALA O O 8.185 9.553 16.105 1.00 . A A . 45 ALA O 1 1 2 583 1 1 1 CYS C C 2.185 -0.730 -2.632 1.00 . A A . 1 CYS C 1 1 2 584 1 1 1 CYS CA C 1.748 0.717 -2.421 1.00 . A A . 1 CYS CA 1 1 2 585 1 1 1 CYS CB C 2.897 1.526 -1.817 1.00 . A A . 1 CYS CB 1 1 2 586 1 1 1 CYS HA H 1.483 1.143 -3.377 1.00 . A A . 1 CYS HA 1 1 2 587 1 1 1 CYS HB2 H 3.698 1.594 -2.539 1.00 . A A . 1 CYS HB2 1 1 2 588 1 1 1 CYS HB3 H 2.544 2.519 -1.583 1.00 . A A . 1 CYS HB3 1 1 2 589 1 1 1 CYS N N 0.574 0.784 -1.559 1.00 . A A . 1 CYS N 1 1 2 590 1 1 1 CYS O O 1.630 -1.651 -2.033 1.00 . A A . 1 CYS O 1 1 2 591 1 1 1 CYS SG S 3.589 0.809 -0.292 1.00 . A A . 1 CYS SG 1 1 2 592 1 1 2 TYR C C 5.195 -2.334 -3.514 1.00 . A A . 2 TYR C 1 1 2 593 1 1 2 TYR CA C 3.694 -2.255 -3.780 1.00 . A A . 2 TYR CA 1 1 2 594 1 1 2 TYR CB C 3.402 -2.629 -5.234 1.00 . A A . 2 TYR CB 1 1 2 595 1 1 2 TYR CD1 C 1.473 -4.105 -4.548 1.00 . A A . 2 TYR CD1 1 1 2 596 1 1 2 TYR CD2 C 2.851 -4.824 -6.354 1.00 . A A . 2 TYR CD2 1 1 2 597 1 1 2 TYR CE1 C 0.700 -5.243 -4.678 1.00 . A A . 2 TYR CE1 1 1 2 598 1 1 2 TYR CE2 C 2.083 -5.964 -6.493 1.00 . A A . 2 TYR CE2 1 1 2 599 1 1 2 TYR CG C 2.560 -3.875 -5.382 1.00 . A A . 2 TYR CG 1 1 2 600 1 1 2 TYR CZ C 1.009 -6.169 -5.652 1.00 . A A . 2 TYR CZ 1 1 2 601 1 1 2 TYR H H 3.585 -0.147 -3.935 1.00 . A A . 2 TYR H 1 1 2 602 1 1 2 TYR HA H 3.188 -2.954 -3.131 1.00 . A A . 2 TYR HA 1 1 2 603 1 1 2 TYR HB2 H 2.876 -1.815 -5.709 1.00 . A A . 2 TYR HB2 1 1 2 604 1 1 2 TYR HB3 H 4.337 -2.796 -5.750 1.00 . A A . 2 TYR HB3 1 1 2 605 1 1 2 TYR HD1 H 1.233 -3.378 -3.785 1.00 . A A . 2 TYR HD1 1 1 2 606 1 1 2 TYR HD2 H 3.694 -4.660 -7.011 1.00 . A A . 2 TYR HD2 1 1 2 607 1 1 2 TYR HE1 H -0.141 -5.404 -4.020 1.00 . A A . 2 TYR HE1 1 1 2 608 1 1 2 TYR HE2 H 2.326 -6.689 -7.256 1.00 . A A . 2 TYR HE2 1 1 2 609 1 1 2 TYR HH H -0.392 -7.180 -6.496 1.00 . A A . 2 TYR HH 1 1 2 610 1 1 2 TYR N N 3.183 -0.921 -3.488 1.00 . A A . 2 TYR N 1 1 2 611 1 1 2 TYR O O 5.903 -1.327 -3.500 1.00 . A A . 2 TYR O 1 1 2 612 1 1 2 TYR OH O 0.243 -7.304 -5.786 1.00 . A A . 2 TYR OH 1 1 2 613 1 1 3 PRO C C 7.985 -3.558 -4.257 1.00 . A A . 3 PRO C 1 1 2 614 1 1 3 PRO CA C 7.113 -3.803 -3.030 1.00 . A A . 3 PRO CA 1 1 2 615 1 1 3 PRO CB C 7.152 -5.280 -2.633 1.00 . A A . 3 PRO CB 1 1 2 616 1 1 3 PRO CD C 4.907 -4.806 -3.301 1.00 . A A . 3 PRO CD 1 1 2 617 1 1 3 PRO CG C 5.958 -5.881 -3.290 1.00 . A A . 3 PRO CG 1 1 2 618 1 1 3 PRO HA H 7.471 -3.198 -2.210 1.00 . A A . 3 PRO HA 1 1 2 619 1 1 3 PRO HB2 H 8.069 -5.728 -2.991 1.00 . A A . 3 PRO HB2 1 1 2 620 1 1 3 PRO HB3 H 7.098 -5.369 -1.558 1.00 . A A . 3 PRO HB3 1 1 2 621 1 1 3 PRO HD2 H 4.302 -4.879 -4.192 1.00 . A A . 3 PRO HD2 1 1 2 622 1 1 3 PRO HD3 H 4.289 -4.873 -2.417 1.00 . A A . 3 PRO HD3 1 1 2 623 1 1 3 PRO HG2 H 6.203 -6.176 -4.298 1.00 . A A . 3 PRO HG2 1 1 2 624 1 1 3 PRO HG3 H 5.616 -6.733 -2.720 1.00 . A A . 3 PRO HG3 1 1 2 625 1 1 3 PRO N N 5.692 -3.561 -3.299 1.00 . A A . 3 PRO N 1 1 2 626 1 1 3 PRO O O 8.384 -4.497 -4.945 1.00 . A A . 3 PRO O 1 1 2 627 1 1 4 GLY C C 8.579 -0.731 -6.415 1.00 . A A . 4 GLY C 1 1 2 628 1 1 4 GLY CA C 9.100 -1.944 -5.672 1.00 . A A . 4 GLY CA 1 1 2 629 1 1 4 GLY H H 7.931 -1.581 -3.944 1.00 . A A . 4 GLY H 1 1 2 630 1 1 4 GLY HA2 H 10.104 -1.741 -5.331 1.00 . A A . 4 GLY HA2 1 1 2 631 1 1 4 GLY HA3 H 9.123 -2.785 -6.350 1.00 . A A . 4 GLY HA3 1 1 2 632 1 1 4 GLY N N 8.277 -2.289 -4.527 1.00 . A A . 4 GLY N 1 1 2 633 1 1 4 GLY O O 9.138 -0.335 -7.438 1.00 . A A . 4 GLY O 1 1 2 634 1 1 5 GLN C C 7.747 2.279 -6.263 1.00 . A A . 5 GLN C 1 1 2 635 1 1 5 GLN CA C 6.907 1.034 -6.527 1.00 . A A . 5 GLN CA 1 1 2 636 1 1 5 GLN CB C 5.483 1.246 -6.008 1.00 . A A . 5 GLN CB 1 1 2 637 1 1 5 GLN CD C 3.088 0.463 -6.192 1.00 . A A . 5 GLN CD 1 1 2 638 1 1 5 GLN CG C 4.551 0.080 -6.297 1.00 . A A . 5 GLN CG 1 1 2 639 1 1 5 GLN H H 7.103 -0.503 -5.086 1.00 . A A . 5 GLN H 1 1 2 640 1 1 5 GLN HA H 6.869 0.860 -7.592 1.00 . A A . 5 GLN HA 1 1 2 641 1 1 5 GLN HB2 H 5.521 1.393 -4.939 1.00 . A A . 5 GLN HB2 1 1 2 642 1 1 5 GLN HB3 H 5.072 2.130 -6.471 1.00 . A A . 5 GLN HB3 1 1 2 643 1 1 5 GLN HE21 H 2.709 -0.406 -7.939 1.00 . A A . 5 GLN HE21 1 1 2 644 1 1 5 GLN HE22 H 1.355 0.324 -7.154 1.00 . A A . 5 GLN HE22 1 1 2 645 1 1 5 GLN HG2 H 4.742 -0.278 -7.298 1.00 . A A . 5 GLN HG2 1 1 2 646 1 1 5 GLN HG3 H 4.753 -0.710 -5.589 1.00 . A A . 5 GLN HG3 1 1 2 647 1 1 5 GLN N N 7.504 -0.140 -5.903 1.00 . A A . 5 GLN N 1 1 2 648 1 1 5 GLN NE2 N 2.304 0.090 -7.197 1.00 . A A . 5 GLN NE2 1 1 2 649 1 1 5 GLN O O 8.492 2.358 -5.285 1.00 . A A . 5 GLN O 1 1 2 650 1 1 5 GLN OE1 O 2.666 1.088 -5.218 1.00 . A A . 5 GLN OE1 1 1 2 651 1 1 6 PRO C C 7.884 5.387 -5.870 1.00 . A A . 6 PRO C 1 1 2 652 1 1 6 PRO CA C 8.369 4.534 -7.037 1.00 . A A . 6 PRO CA 1 1 2 653 1 1 6 PRO CB C 8.087 5.236 -8.367 1.00 . A A . 6 PRO CB 1 1 2 654 1 1 6 PRO CD C 6.759 3.248 -8.342 1.00 . A A . 6 PRO CD 1 1 2 655 1 1 6 PRO CG C 6.786 4.672 -8.824 1.00 . A A . 6 PRO CG 1 1 2 656 1 1 6 PRO HA H 9.431 4.361 -6.937 1.00 . A A . 6 PRO HA 1 1 2 657 1 1 6 PRO HB2 H 8.021 6.303 -8.207 1.00 . A A . 6 PRO HB2 1 1 2 658 1 1 6 PRO HB3 H 8.879 5.020 -9.068 1.00 . A A . 6 PRO HB3 1 1 2 659 1 1 6 PRO HD2 H 5.753 2.958 -8.078 1.00 . A A . 6 PRO HD2 1 1 2 660 1 1 6 PRO HD3 H 7.159 2.587 -9.096 1.00 . A A . 6 PRO HD3 1 1 2 661 1 1 6 PRO HG2 H 5.971 5.231 -8.389 1.00 . A A . 6 PRO HG2 1 1 2 662 1 1 6 PRO HG3 H 6.731 4.704 -9.902 1.00 . A A . 6 PRO HG3 1 1 2 663 1 1 6 PRO N N 7.628 3.275 -7.153 1.00 . A A . 6 PRO N 1 1 2 664 1 1 6 PRO O O 7.094 6.312 -6.052 1.00 . A A . 6 PRO O 1 1 2 665 1 1 7 GLY C C 7.879 4.945 -2.254 1.00 . A A . 7 GLY C 1 1 2 666 1 1 7 GLY CA C 7.965 5.817 -3.492 1.00 . A A . 7 GLY CA 1 1 2 667 1 1 7 GLY H H 8.989 4.321 -4.585 1.00 . A A . 7 GLY H 1 1 2 668 1 1 7 GLY HA2 H 8.685 6.602 -3.317 1.00 . A A . 7 GLY HA2 1 1 2 669 1 1 7 GLY HA3 H 6.998 6.263 -3.671 1.00 . A A . 7 GLY HA3 1 1 2 670 1 1 7 GLY N N 8.362 5.069 -4.670 1.00 . A A . 7 GLY N 1 1 2 671 1 1 7 GLY O O 8.092 5.418 -1.137 1.00 . A A . 7 GLY O 1 1 2 672 1 1 8 CYS C C 8.743 1.948 -1.155 1.00 . A A . 8 CYS C 1 1 2 673 1 1 8 CYS CA C 7.447 2.730 -1.343 1.00 . A A . 8 CYS CA 1 1 2 674 1 1 8 CYS CB C 6.286 1.764 -1.586 1.00 . A A . 8 CYS CB 1 1 2 675 1 1 8 CYS H H 7.404 3.352 -3.366 1.00 . A A . 8 CYS H 1 1 2 676 1 1 8 CYS HA H 7.250 3.297 -0.446 1.00 . A A . 8 CYS HA 1 1 2 677 1 1 8 CYS HB2 H 5.531 2.261 -2.179 1.00 . A A . 8 CYS HB2 1 1 2 678 1 1 8 CYS HB3 H 6.651 0.903 -2.127 1.00 . A A . 8 CYS HB3 1 1 2 679 1 1 8 CYS N N 7.563 3.670 -2.452 1.00 . A A . 8 CYS N 1 1 2 680 1 1 8 CYS O O 9.543 1.819 -2.081 1.00 . A A . 8 CYS O 1 1 2 681 1 1 8 CYS SG S 5.485 1.165 -0.063 1.00 . A A . 8 CYS SG 1 1 2 682 1 1 9 GLY C C 10.178 0.154 1.768 1.00 . A A . 9 GLY C 1 1 2 683 1 1 9 GLY CA C 10.144 0.663 0.340 1.00 . A A . 9 GLY CA 1 1 2 684 1 1 9 GLY H H 8.271 1.562 0.752 1.00 . A A . 9 GLY H 1 1 2 685 1 1 9 GLY HA2 H 10.191 -0.180 -0.333 1.00 . A A . 9 GLY HA2 1 1 2 686 1 1 9 GLY HA3 H 11.005 1.293 0.174 1.00 . A A . 9 GLY HA3 1 1 2 687 1 1 9 GLY N N 8.944 1.426 0.052 1.00 . A A . 9 GLY N 1 1 2 688 1 1 9 GLY O O 9.223 0.338 2.524 1.00 . A A . 9 GLY O 1 1 2 689 1 1 10 HIS C C 11.559 0.096 4.509 1.00 . A A . 10 HIS C 1 1 2 690 1 1 10 HIS CA C 11.435 -1.028 3.485 1.00 . A A . 10 HIS CA 1 1 2 691 1 1 10 HIS CB C 12.663 -1.936 3.556 1.00 . A A . 10 HIS CB 1 1 2 692 1 1 10 HIS CD2 C 14.798 -0.477 3.361 1.00 . A A . 10 HIS CD2 1 1 2 693 1 1 10 HIS CE1 C 15.359 -1.001 1.308 1.00 . A A . 10 HIS CE1 1 1 2 694 1 1 10 HIS CG C 13.877 -1.354 2.900 1.00 . A A . 10 HIS CG 1 1 2 695 1 1 10 HIS H H 12.007 -0.605 1.491 1.00 . A A . 10 HIS H 1 1 2 696 1 1 10 HIS HA H 10.554 -1.610 3.713 1.00 . A A . 10 HIS HA 1 1 2 697 1 1 10 HIS HB2 H 12.904 -2.123 4.592 1.00 . A A . 10 HIS HB2 1 1 2 698 1 1 10 HIS HB3 H 12.438 -2.874 3.069 1.00 . A A . 10 HIS HB3 1 1 2 699 1 1 10 HIS HD1 H 13.787 -2.276 1.008 1.00 . A A . 10 HIS HD1 1 1 2 700 1 1 10 HIS HD2 H 14.815 -0.020 4.341 1.00 . A A . 10 HIS HD2 1 1 2 701 1 1 10 HIS HE1 H 15.885 -1.047 0.366 1.00 . A A . 10 HIS HE1 1 1 2 702 1 1 10 HIS N N 11.280 -0.490 2.138 1.00 . A A . 10 HIS N 1 1 2 703 1 1 10 HIS ND1 N 14.256 -1.663 1.610 1.00 . A A . 10 HIS ND1 1 1 2 704 1 1 10 HIS NE2 N 15.708 -0.274 2.353 1.00 . A A . 10 HIS NE2 1 1 2 705 1 1 10 HIS O O 12.435 0.955 4.401 1.00 . A A . 10 HIS O 1 1 2 706 1 1 11 CYS C C 11.969 1.031 7.366 1.00 . A A . 11 CYS C 1 1 2 707 1 1 11 CYS CA C 10.685 1.104 6.545 1.00 . A A . 11 CYS CA 1 1 2 708 1 1 11 CYS CB C 9.471 0.937 7.461 1.00 . A A . 11 CYS CB 1 1 2 709 1 1 11 CYS H H 10.001 -0.625 5.534 1.00 . A A . 11 CYS H 1 1 2 710 1 1 11 CYS HA H 10.633 2.070 6.066 1.00 . A A . 11 CYS HA 1 1 2 711 1 1 11 CYS HB2 H 9.400 1.795 8.113 1.00 . A A . 11 CYS HB2 1 1 2 712 1 1 11 CYS HB3 H 8.578 0.877 6.856 1.00 . A A . 11 CYS HB3 1 1 2 713 1 1 11 CYS N N 10.676 0.086 5.502 1.00 . A A . 11 CYS N 1 1 2 714 1 1 11 CYS O O 12.685 0.031 7.329 1.00 . A A . 11 CYS O 1 1 2 715 1 1 11 CYS SG S 9.531 -0.551 8.510 1.00 . A A . 11 CYS SG 1 1 2 716 1 1 12 SER C C 13.245 3.087 10.125 1.00 . A A . 12 SER C 1 1 2 717 1 1 12 SER CA C 13.452 2.157 8.933 1.00 . A A . 12 SER CA 1 1 2 718 1 1 12 SER CB C 14.647 2.632 8.104 1.00 . A A . 12 SER CB 1 1 2 719 1 1 12 SER H H 11.642 2.865 8.093 1.00 . A A . 12 SER H 1 1 2 720 1 1 12 SER HA H 13.652 1.161 9.299 1.00 . A A . 12 SER HA 1 1 2 721 1 1 12 SER HB2 H 14.866 1.900 7.341 1.00 . A A . 12 SER HB2 1 1 2 722 1 1 12 SER HB3 H 14.406 3.576 7.638 1.00 . A A . 12 SER HB3 1 1 2 723 1 1 12 SER HG H 15.961 1.997 9.411 1.00 . A A . 12 SER HG 1 1 2 724 1 1 12 SER N N 12.253 2.098 8.106 1.00 . A A . 12 SER N 1 1 2 725 1 1 12 SER O O 12.495 4.060 10.044 1.00 . A A . 12 SER O 1 1 2 726 1 1 12 SER OG O 15.796 2.803 8.916 1.00 . A A . 12 SER OG 1 1 2 727 1 1 13 ARG C C 13.793 5.074 12.103 1.00 . A A . 13 ARG C 1 1 2 728 1 1 13 ARG CA C 13.804 3.586 12.440 1.00 . A A . 13 ARG CA 1 1 2 729 1 1 13 ARG CB C 14.960 3.276 13.393 1.00 . A A . 13 ARG CB 1 1 2 730 1 1 13 ARG CD C 13.639 2.317 15.304 1.00 . A A . 13 ARG CD 1 1 2 731 1 1 13 ARG CG C 14.719 2.055 14.266 1.00 . A A . 13 ARG CG 1 1 2 732 1 1 13 ARG CZ C 12.693 1.199 17.279 1.00 . A A . 13 ARG CZ 1 1 2 733 1 1 13 ARG H H 14.497 1.991 11.234 1.00 . A A . 13 ARG H 1 1 2 734 1 1 13 ARG HA H 12.872 3.332 12.924 1.00 . A A . 13 ARG HA 1 1 2 735 1 1 13 ARG HB2 H 15.854 3.105 12.812 1.00 . A A . 13 ARG HB2 1 1 2 736 1 1 13 ARG HB3 H 15.116 4.128 14.038 1.00 . A A . 13 ARG HB3 1 1 2 737 1 1 13 ARG HD2 H 13.941 3.154 15.916 1.00 . A A . 13 ARG HD2 1 1 2 738 1 1 13 ARG HD3 H 12.719 2.558 14.793 1.00 . A A . 13 ARG HD3 1 1 2 739 1 1 13 ARG HE H 13.824 0.309 15.897 1.00 . A A . 13 ARG HE 1 1 2 740 1 1 13 ARG HG2 H 14.409 1.232 13.640 1.00 . A A . 13 ARG HG2 1 1 2 741 1 1 13 ARG HG3 H 15.638 1.800 14.772 1.00 . A A . 13 ARG HG3 1 1 2 742 1 1 13 ARG HH11 H 12.244 3.162 17.117 1.00 . A A . 13 ARG HH11 1 1 2 743 1 1 13 ARG HH12 H 11.583 2.361 18.504 1.00 . A A . 13 ARG HH12 1 1 2 744 1 1 13 ARG HH21 H 12.959 -0.756 17.720 1.00 . A A . 13 ARG HH21 1 1 2 745 1 1 13 ARG HH22 H 11.991 0.133 18.847 1.00 . A A . 13 ARG HH22 1 1 2 746 1 1 13 ARG N N 13.915 2.780 11.231 1.00 . A A . 13 ARG N 1 1 2 747 1 1 13 ARG NE N 13.415 1.158 16.164 1.00 . A A . 13 ARG NE 1 1 2 748 1 1 13 ARG NH1 N 12.127 2.334 17.665 1.00 . A A . 13 ARG NH1 1 1 2 749 1 1 13 ARG NH2 N 12.535 0.102 18.008 1.00 . A A . 13 ARG NH2 1 1 2 750 1 1 13 ARG O O 14.443 5.526 11.160 1.00 . A A . 13 ARG O 1 1 2 751 1 1 14 PRO C C 11.078 4.479 13.555 1.00 . A A . 14 PRO C 1 1 2 752 1 1 14 PRO CA C 12.259 5.327 14.014 1.00 . A A . 14 PRO CA 1 1 2 753 1 1 14 PRO CB C 11.766 6.589 14.727 1.00 . A A . 14 PRO CB 1 1 2 754 1 1 14 PRO CD C 12.884 7.311 12.742 1.00 . A A . 14 PRO CD 1 1 2 755 1 1 14 PRO CG C 11.747 7.638 13.670 1.00 . A A . 14 PRO CG 1 1 2 756 1 1 14 PRO HA H 12.876 4.749 14.687 1.00 . A A . 14 PRO HA 1 1 2 757 1 1 14 PRO HB2 H 10.778 6.415 15.130 1.00 . A A . 14 PRO HB2 1 1 2 758 1 1 14 PRO HB3 H 12.447 6.845 15.525 1.00 . A A . 14 PRO HB3 1 1 2 759 1 1 14 PRO HD2 H 12.628 7.571 11.725 1.00 . A A . 14 PRO HD2 1 1 2 760 1 1 14 PRO HD3 H 13.783 7.826 13.050 1.00 . A A . 14 PRO HD3 1 1 2 761 1 1 14 PRO HG2 H 10.809 7.607 13.138 1.00 . A A . 14 PRO HG2 1 1 2 762 1 1 14 PRO HG3 H 11.896 8.611 14.116 1.00 . A A . 14 PRO HG3 1 1 2 763 1 1 14 PRO N N 13.038 5.854 12.890 1.00 . A A . 14 PRO N 1 1 2 764 1 1 14 PRO O O 10.190 4.156 14.343 1.00 . A A . 14 PRO O 1 1 2 765 1 1 15 ASN C C 10.266 1.824 11.940 1.00 . A A . 15 ASN C 1 1 2 766 1 1 15 ASN CA C 10.002 3.309 11.711 1.00 . A A . 15 ASN CA 1 1 2 767 1 1 15 ASN CB C 9.858 3.588 10.213 1.00 . A A . 15 ASN CB 1 1 2 768 1 1 15 ASN CG C 10.173 5.028 9.860 1.00 . A A . 15 ASN CG 1 1 2 769 1 1 15 ASN H H 11.811 4.409 11.696 1.00 . A A . 15 ASN H 1 1 2 770 1 1 15 ASN HA H 9.084 3.582 12.209 1.00 . A A . 15 ASN HA 1 1 2 771 1 1 15 ASN HB2 H 10.535 2.947 9.667 1.00 . A A . 15 ASN HB2 1 1 2 772 1 1 15 ASN HB3 H 8.844 3.375 9.910 1.00 . A A . 15 ASN HB3 1 1 2 773 1 1 15 ASN HD21 H 10.815 4.473 8.062 1.00 . A A . 15 ASN HD21 1 1 2 774 1 1 15 ASN HD22 H 10.890 6.166 8.396 1.00 . A A . 15 ASN HD22 1 1 2 775 1 1 15 ASN N N 11.075 4.121 12.275 1.00 . A A . 15 ASN N 1 1 2 776 1 1 15 ASN ND2 N 10.677 5.244 8.650 1.00 . A A . 15 ASN ND2 1 1 2 777 1 1 15 ASN O O 11.412 1.376 11.920 1.00 . A A . 15 ASN O 1 1 2 778 1 1 15 ASN OD1 O 9.966 5.936 10.665 1.00 . A A . 15 ASN OD1 1 1 2 779 1 1 16 TYR C C 8.149 -1.120 11.752 1.00 . A A . 16 TYR C 1 1 2 780 1 1 16 TYR CA C 9.311 -0.368 12.393 1.00 . A A . 16 TYR CA 1 1 2 781 1 1 16 TYR CB C 9.354 -0.658 13.895 1.00 . A A . 16 TYR CB 1 1 2 782 1 1 16 TYR CD1 C 7.193 -1.425 14.952 1.00 . A A . 16 TYR CD1 1 1 2 783 1 1 16 TYR CD2 C 7.662 0.912 14.919 1.00 . A A . 16 TYR CD2 1 1 2 784 1 1 16 TYR CE1 C 5.996 -1.181 15.597 1.00 . A A . 16 TYR CE1 1 1 2 785 1 1 16 TYR CE2 C 6.467 1.165 15.565 1.00 . A A . 16 TYR CE2 1 1 2 786 1 1 16 TYR CG C 8.046 -0.385 14.602 1.00 . A A . 16 TYR CG 1 1 2 787 1 1 16 TYR CZ C 5.638 0.115 15.902 1.00 . A A . 16 TYR CZ 1 1 2 788 1 1 16 TYR H H 8.309 1.482 12.163 1.00 . A A . 16 TYR H 1 1 2 789 1 1 16 TYR HA H 10.235 -0.705 11.945 1.00 . A A . 16 TYR HA 1 1 2 790 1 1 16 TYR HB2 H 9.602 -1.697 14.047 1.00 . A A . 16 TYR HB2 1 1 2 791 1 1 16 TYR HB3 H 10.114 -0.041 14.352 1.00 . A A . 16 TYR HB3 1 1 2 792 1 1 16 TYR HD1 H 7.476 -2.440 14.711 1.00 . A A . 16 TYR HD1 1 1 2 793 1 1 16 TYR HD2 H 8.313 1.731 14.653 1.00 . A A . 16 TYR HD2 1 1 2 794 1 1 16 TYR HE1 H 5.347 -2.003 15.861 1.00 . A A . 16 TYR HE1 1 1 2 795 1 1 16 TYR HE2 H 6.187 2.180 15.804 1.00 . A A . 16 TYR HE2 1 1 2 796 1 1 16 TYR HH H 4.065 1.178 16.208 1.00 . A A . 16 TYR HH 1 1 2 797 1 1 16 TYR N N 9.197 1.066 12.158 1.00 . A A . 16 TYR N 1 1 2 798 1 1 16 TYR O O 7.290 -0.522 11.103 1.00 . A A . 16 TYR O 1 1 2 799 1 1 16 TYR OH O 4.447 0.364 16.545 1.00 . A A . 16 TYR OH 1 1 2 800 1 1 17 CYS C C 5.859 -3.302 12.300 1.00 . A A . 17 CYS C 1 1 2 801 1 1 17 CYS CA C 7.075 -3.272 11.379 1.00 . A A . 17 CYS CA 1 1 2 802 1 1 17 CYS CB C 7.590 -4.694 11.149 1.00 . A A . 17 CYS CB 1 1 2 803 1 1 17 CYS H H 8.843 -2.855 12.465 1.00 . A A . 17 CYS H 1 1 2 804 1 1 17 CYS HA H 6.782 -2.847 10.431 1.00 . A A . 17 CYS HA 1 1 2 805 1 1 17 CYS HB2 H 8.407 -4.887 11.830 1.00 . A A . 17 CYS HB2 1 1 2 806 1 1 17 CYS HB3 H 6.792 -5.394 11.346 1.00 . A A . 17 CYS HB3 1 1 2 807 1 1 17 CYS N N 8.130 -2.435 11.938 1.00 . A A . 17 CYS N 1 1 2 808 1 1 17 CYS O O 5.992 -3.438 13.516 1.00 . A A . 17 CYS O 1 1 2 809 1 1 17 CYS SG S 8.195 -5.002 9.459 1.00 . A A . 17 CYS SG 1 1 2 810 1 1 18 GLU C C 2.306 -3.833 11.681 1.00 . A A . 18 GLU C 1 1 2 811 1 1 18 GLU CA C 3.434 -3.187 12.479 1.00 . A A . 18 GLU CA 1 1 2 812 1 1 18 GLU CB C 3.041 -1.763 12.878 1.00 . A A . 18 GLU CB 1 1 2 813 1 1 18 GLU CD C 1.978 -2.973 14.824 1.00 . A A . 18 GLU CD 1 1 2 814 1 1 18 GLU CG C 2.008 -1.706 13.991 1.00 . A A . 18 GLU CG 1 1 2 815 1 1 18 GLU H H 4.632 -3.069 10.738 1.00 . A A . 18 GLU H 1 1 2 816 1 1 18 GLU HA H 3.604 -3.768 13.374 1.00 . A A . 18 GLU HA 1 1 2 817 1 1 18 GLU HB2 H 3.925 -1.238 13.208 1.00 . A A . 18 GLU HB2 1 1 2 818 1 1 18 GLU HB3 H 2.635 -1.260 12.013 1.00 . A A . 18 GLU HB3 1 1 2 819 1 1 18 GLU HG2 H 2.241 -0.874 14.639 1.00 . A A . 18 GLU HG2 1 1 2 820 1 1 18 GLU HG3 H 1.033 -1.558 13.553 1.00 . A A . 18 GLU HG3 1 1 2 821 1 1 18 GLU N N 4.674 -3.175 11.711 1.00 . A A . 18 GLU N 1 1 2 822 1 1 18 GLU O O 1.739 -3.219 10.778 1.00 . A A . 18 GLU O 1 1 2 823 1 1 18 GLU OE1 O 3.011 -3.298 15.447 1.00 . A A . 18 GLU OE1 1 1 2 824 1 1 18 GLU OE2 O 0.922 -3.639 14.854 1.00 . A A . 18 GLU OE2 1 1 2 825 1 1 19 GLY C C -0.410 -5.667 12.030 1.00 . A A . 19 GLY C 1 1 2 826 1 1 19 GLY CA C 0.927 -5.788 11.326 1.00 . A A . 19 GLY CA 1 1 2 827 1 1 19 GLY H H 2.472 -5.519 12.749 1.00 . A A . 19 GLY H 1 1 2 828 1 1 19 GLY HA2 H 0.835 -5.387 10.328 1.00 . A A . 19 GLY HA2 1 1 2 829 1 1 19 GLY HA3 H 1.193 -6.833 11.261 1.00 . A A . 19 GLY HA3 1 1 2 830 1 1 19 GLY N N 1.986 -5.078 12.021 1.00 . A A . 19 GLY N 1 1 2 831 1 1 19 GLY O O -1.339 -6.422 11.744 1.00 . A A . 19 GLY O 1 1 2 832 1 1 20 ALA C C -2.011 -3.010 13.891 1.00 . A A . 20 ALA C 1 1 2 833 1 1 20 ALA CA C -1.741 -4.498 13.698 1.00 . A A . 20 ALA CA 1 1 2 834 1 1 20 ALA CB C -1.675 -5.204 15.045 1.00 . A A . 20 ALA CB 1 1 2 835 1 1 20 ALA H H 0.268 -4.145 13.135 1.00 . A A . 20 ALA H 1 1 2 836 1 1 20 ALA HA H -2.554 -4.931 13.132 1.00 . A A . 20 ALA HA 1 1 2 837 1 1 20 ALA HB1 H -2.304 -6.082 15.021 1.00 . A A . 20 ALA HB1 1 1 2 838 1 1 20 ALA HB2 H -0.656 -5.496 15.248 1.00 . A A . 20 ALA HB2 1 1 2 839 1 1 20 ALA HB3 H -2.019 -4.534 15.819 1.00 . A A . 20 ALA HB3 1 1 2 840 1 1 20 ALA N N -0.508 -4.716 12.952 1.00 . A A . 20 ALA N 1 1 2 841 1 1 20 ALA O O -2.847 -2.427 13.201 1.00 . A A . 20 ALA O 1 1 2 842 1 1 21 ARG C C -0.210 -0.409 15.775 1.00 . A A . 21 ARG C 1 1 2 843 1 1 21 ARG CA C -1.464 -0.981 15.119 1.00 . A A . 21 ARG CA 1 1 2 844 1 1 21 ARG CB C -2.675 -0.759 16.027 1.00 . A A . 21 ARG CB 1 1 2 845 1 1 21 ARG CD C -4.309 1.116 16.384 1.00 . A A . 21 ARG CD 1 1 2 846 1 1 21 ARG CG C -3.759 0.099 15.396 1.00 . A A . 21 ARG CG 1 1 2 847 1 1 21 ARG CZ C -4.206 3.235 15.141 1.00 . A A . 21 ARG CZ 1 1 2 848 1 1 21 ARG H H -0.648 -2.920 15.351 1.00 . A A . 21 ARG H 1 1 2 849 1 1 21 ARG HA H -1.630 -0.472 14.181 1.00 . A A . 21 ARG HA 1 1 2 850 1 1 21 ARG HB2 H -3.105 -1.718 16.276 1.00 . A A . 21 ARG HB2 1 1 2 851 1 1 21 ARG HB3 H -2.345 -0.275 16.934 1.00 . A A . 21 ARG HB3 1 1 2 852 1 1 21 ARG HD2 H -5.386 1.136 16.298 1.00 . A A . 21 ARG HD2 1 1 2 853 1 1 21 ARG HD3 H -4.034 0.813 17.383 1.00 . A A . 21 ARG HD3 1 1 2 854 1 1 21 ARG HE H -3.095 2.795 16.738 1.00 . A A . 21 ARG HE 1 1 2 855 1 1 21 ARG HG2 H -3.343 0.625 14.550 1.00 . A A . 21 ARG HG2 1 1 2 856 1 1 21 ARG HG3 H -4.564 -0.540 15.065 1.00 . A A . 21 ARG HG3 1 1 2 857 1 1 21 ARG HH11 H -5.540 1.896 14.429 1.00 . A A . 21 ARG HH11 1 1 2 858 1 1 21 ARG HH12 H -5.457 3.394 13.562 1.00 . A A . 21 ARG HH12 1 1 2 859 1 1 21 ARG HH21 H -2.976 4.771 15.606 1.00 . A A . 21 ARG HH21 1 1 2 860 1 1 21 ARG HH22 H -3.998 5.028 14.232 1.00 . A A . 21 ARG HH22 1 1 2 861 1 1 21 ARG N N -1.299 -2.402 14.834 1.00 . A A . 21 ARG N 1 1 2 862 1 1 21 ARG NE N -3.789 2.458 16.135 1.00 . A A . 21 ARG NE 1 1 2 863 1 1 21 ARG NH1 N -5.144 2.806 14.309 1.00 . A A . 21 ARG NH1 1 1 2 864 1 1 21 ARG NH2 N -3.684 4.444 14.980 1.00 . A A . 21 ARG NH2 1 1 2 865 1 1 21 ARG O O 0.436 -1.073 16.586 1.00 . A A . 21 ARG O 1 1 2 866 1 1 22 CYS C C 1.159 1.683 17.476 1.00 . A A . 22 CYS C 1 1 2 867 1 1 22 CYS CA C 1.303 1.487 15.970 1.00 . A A . 22 CYS CA 1 1 2 868 1 1 22 CYS CB C 1.521 2.838 15.287 1.00 . A A . 22 CYS CB 1 1 2 869 1 1 22 CYS H H -0.428 1.304 14.766 1.00 . A A . 22 CYS H 1 1 2 870 1 1 22 CYS HA H 2.158 0.856 15.781 1.00 . A A . 22 CYS HA 1 1 2 871 1 1 22 CYS HB2 H 0.730 3.513 15.580 1.00 . A A . 22 CYS HB2 1 1 2 872 1 1 22 CYS HB3 H 2.470 3.245 15.605 1.00 . A A . 22 CYS HB3 1 1 2 873 1 1 22 CYS N N 0.127 0.825 15.418 1.00 . A A . 22 CYS N 1 1 2 874 1 1 22 CYS O O 0.053 1.651 18.013 1.00 . A A . 22 CYS O 1 1 2 875 1 1 22 CYS SG S 1.533 2.758 13.467 1.00 . A A . 22 CYS SG 1 1 2 876 1 1 23 GLU C C 1.799 3.491 19.949 1.00 . A A . 23 GLU C 1 1 2 877 1 1 23 GLU CA C 2.286 2.089 19.595 1.00 . A A . 23 GLU CA 1 1 2 878 1 1 23 GLU CB C 3.688 1.865 20.164 1.00 . A A . 23 GLU CB 1 1 2 879 1 1 23 GLU CD C 5.044 -0.074 21.049 1.00 . A A . 23 GLU CD 1 1 2 880 1 1 23 GLU CG C 4.245 0.479 19.885 1.00 . A A . 23 GLU CG 1 1 2 881 1 1 23 GLU H H 3.138 1.903 17.666 1.00 . A A . 23 GLU H 1 1 2 882 1 1 23 GLU HA H 1.612 1.366 20.030 1.00 . A A . 23 GLU HA 1 1 2 883 1 1 23 GLU HB2 H 4.359 2.594 19.734 1.00 . A A . 23 GLU HB2 1 1 2 884 1 1 23 GLU HB3 H 3.656 2.008 21.234 1.00 . A A . 23 GLU HB3 1 1 2 885 1 1 23 GLU HG2 H 3.423 -0.191 19.682 1.00 . A A . 23 GLU HG2 1 1 2 886 1 1 23 GLU HG3 H 4.888 0.532 19.018 1.00 . A A . 23 GLU HG3 1 1 2 887 1 1 23 GLU N N 2.286 1.888 18.151 1.00 . A A . 23 GLU N 1 1 2 888 1 1 23 GLU O O 1.620 4.337 19.073 1.00 . A A . 23 GLU O 1 1 2 889 1 1 23 GLU OE1 O 5.135 -1.313 21.169 1.00 . A A . 23 GLU OE1 1 1 2 890 1 1 23 GLU OE2 O 5.579 0.732 21.839 1.00 . A A . 23 GLU OE2 1 1 2 891 1 1 24 SER C C 2.212 6.079 21.589 1.00 . A A . 24 SER C 1 1 2 892 1 1 24 SER CA C 1.114 5.026 21.710 1.00 . A A . 24 SER CA 1 1 2 893 1 1 24 SER CB C 0.645 4.926 23.162 1.00 . A A . 24 SER CB 1 1 2 894 1 1 24 SER H H 1.745 3.013 21.890 1.00 . A A . 24 SER H 1 1 2 895 1 1 24 SER HA H 0.280 5.321 21.090 1.00 . A A . 24 SER HA 1 1 2 896 1 1 24 SER HB2 H 0.779 3.914 23.512 1.00 . A A . 24 SER HB2 1 1 2 897 1 1 24 SER HB3 H 1.229 5.599 23.773 1.00 . A A . 24 SER HB3 1 1 2 898 1 1 24 SER HG H -0.849 6.184 23.005 1.00 . A A . 24 SER HG 1 1 2 899 1 1 24 SER N N 1.585 3.729 21.239 1.00 . A A . 24 SER N 1 1 2 900 1 1 24 SER O O 2.359 6.941 22.455 1.00 . A A . 24 SER O 1 1 2 901 1 1 24 SER OG O -0.724 5.273 23.281 1.00 . A A . 24 SER OG 1 1 2 902 1 1 25 GLY C C 4.571 6.932 18.867 1.00 . A A . 25 GLY C 1 1 2 903 1 1 25 GLY CA C 4.057 6.952 20.293 1.00 . A A . 25 GLY CA 1 1 2 904 1 1 25 GLY H H 2.818 5.292 19.851 1.00 . A A . 25 GLY H 1 1 2 905 1 1 25 GLY HA2 H 3.697 7.944 20.521 1.00 . A A . 25 GLY HA2 1 1 2 906 1 1 25 GLY HA3 H 4.872 6.713 20.960 1.00 . A A . 25 GLY HA3 1 1 2 907 1 1 25 GLY N N 2.982 6.001 20.508 1.00 . A A . 25 GLY N 1 1 2 908 1 1 25 GLY O O 5.637 7.476 18.576 1.00 . A A . 25 GLY O 1 1 2 909 1 1 26 PHE C C 3.017 6.523 15.660 1.00 . A A . 26 PHE C 1 1 2 910 1 1 26 PHE CA C 4.201 6.212 16.572 1.00 . A A . 26 PHE CA 1 1 2 911 1 1 26 PHE CB C 4.746 4.817 16.260 1.00 . A A . 26 PHE CB 1 1 2 912 1 1 26 PHE CD1 C 7.185 4.230 16.319 1.00 . A A . 26 PHE CD1 1 1 2 913 1 1 26 PHE CD2 C 6.019 4.434 18.388 1.00 . A A . 26 PHE CD2 1 1 2 914 1 1 26 PHE CE1 C 8.349 3.927 17.000 1.00 . A A . 26 PHE CE1 1 1 2 915 1 1 26 PHE CE2 C 7.179 4.131 19.075 1.00 . A A . 26 PHE CE2 1 1 2 916 1 1 26 PHE CG C 6.009 4.487 17.004 1.00 . A A . 26 PHE CG 1 1 2 917 1 1 26 PHE CZ C 8.345 3.876 18.380 1.00 . A A . 26 PHE CZ 1 1 2 918 1 1 26 PHE H H 2.975 5.889 18.267 1.00 . A A . 26 PHE H 1 1 2 919 1 1 26 PHE HA H 4.977 6.941 16.395 1.00 . A A . 26 PHE HA 1 1 2 920 1 1 26 PHE HB2 H 4.003 4.080 16.526 1.00 . A A . 26 PHE HB2 1 1 2 921 1 1 26 PHE HB3 H 4.954 4.748 15.203 1.00 . A A . 26 PHE HB3 1 1 2 922 1 1 26 PHE HD1 H 7.189 4.269 15.238 1.00 . A A . 26 PHE HD1 1 1 2 923 1 1 26 PHE HD2 H 5.107 4.632 18.933 1.00 . A A . 26 PHE HD2 1 1 2 924 1 1 26 PHE HE1 H 9.259 3.728 16.453 1.00 . A A . 26 PHE HE1 1 1 2 925 1 1 26 PHE HE2 H 7.174 4.092 20.154 1.00 . A A . 26 PHE HE2 1 1 2 926 1 1 26 PHE HZ H 9.253 3.640 18.914 1.00 . A A . 26 PHE HZ 1 1 2 927 1 1 26 PHE N N 3.814 6.303 17.975 1.00 . A A . 26 PHE N 1 1 2 928 1 1 26 PHE O O 1.906 6.772 16.129 1.00 . A A . 26 PHE O 1 1 2 929 1 1 27 HIS C C 2.299 5.816 12.202 1.00 . A A . 27 HIS C 1 1 2 930 1 1 27 HIS CA C 2.219 6.788 13.375 1.00 . A A . 27 HIS CA 1 1 2 931 1 1 27 HIS CB C 2.336 8.226 12.870 1.00 . A A . 27 HIS CB 1 1 2 932 1 1 27 HIS CD2 C 4.672 8.586 11.800 1.00 . A A . 27 HIS CD2 1 1 2 933 1 1 27 HIS CE1 C 5.597 9.727 13.427 1.00 . A A . 27 HIS CE1 1 1 2 934 1 1 27 HIS CG C 3.749 8.716 12.782 1.00 . A A . 27 HIS CG 1 1 2 935 1 1 27 HIS H H 4.169 6.302 14.041 1.00 . A A . 27 HIS H 1 1 2 936 1 1 27 HIS HA H 1.265 6.664 13.864 1.00 . A A . 27 HIS HA 1 1 2 937 1 1 27 HIS HB2 H 1.901 8.291 11.884 1.00 . A A . 27 HIS HB2 1 1 2 938 1 1 27 HIS HB3 H 1.798 8.881 13.540 1.00 . A A . 27 HIS HB3 1 1 2 939 1 1 27 HIS HD1 H 3.948 9.694 14.637 1.00 . A A . 27 HIS HD1 1 1 2 940 1 1 27 HIS HD2 H 4.537 8.076 10.857 1.00 . A A . 27 HIS HD2 1 1 2 941 1 1 27 HIS HE1 H 6.312 10.283 14.015 1.00 . A A . 27 HIS HE1 1 1 2 942 1 1 27 HIS N N 3.264 6.507 14.354 1.00 . A A . 27 HIS N 1 1 2 943 1 1 27 HIS ND1 N 4.360 9.435 13.787 1.00 . A A . 27 HIS ND1 1 1 2 944 1 1 27 HIS NE2 N 5.811 9.223 12.225 1.00 . A A . 27 HIS NE2 1 1 2 945 1 1 27 HIS O O 3.363 5.623 11.614 1.00 . A A . 27 HIS O 1 1 2 946 1 1 28 ASP C C 1.544 4.909 9.457 1.00 . A A . 28 ASP C 1 1 2 947 1 1 28 ASP CA C 1.109 4.254 10.764 1.00 . A A . 28 ASP CA 1 1 2 948 1 1 28 ASP CB C -0.307 3.693 10.621 1.00 . A A . 28 ASP CB 1 1 2 949 1 1 28 ASP CG C -0.533 3.028 9.277 1.00 . A A . 28 ASP CG 1 1 2 950 1 1 28 ASP H H 0.351 5.401 12.374 1.00 . A A . 28 ASP H 1 1 2 951 1 1 28 ASP HA H 1.786 3.444 10.989 1.00 . A A . 28 ASP HA 1 1 2 952 1 1 28 ASP HB2 H -0.477 2.960 11.397 1.00 . A A . 28 ASP HB2 1 1 2 953 1 1 28 ASP HB3 H -1.019 4.498 10.729 1.00 . A A . 28 ASP HB3 1 1 2 954 1 1 28 ASP N N 1.167 5.206 11.867 1.00 . A A . 28 ASP N 1 1 2 955 1 1 28 ASP O O 0.888 5.825 8.960 1.00 . A A . 28 ASP O 1 1 2 956 1 1 28 ASP OD1 O 0.063 1.957 9.037 1.00 . A A . 28 ASP OD1 1 1 2 957 1 1 28 ASP OD2 O -1.306 3.579 8.466 1.00 . A A . 28 ASP OD2 1 1 2 958 1 1 29 CYS C C 3.223 3.901 6.575 1.00 . A A . 29 CYS C 1 1 2 959 1 1 29 CYS CA C 3.182 4.976 7.658 1.00 . A A . 29 CYS CA 1 1 2 960 1 1 29 CYS CB C 4.583 5.549 7.876 1.00 . A A . 29 CYS CB 1 1 2 961 1 1 29 CYS H H 3.137 3.704 9.349 1.00 . A A . 29 CYS H 1 1 2 962 1 1 29 CYS HA H 2.524 5.768 7.336 1.00 . A A . 29 CYS HA 1 1 2 963 1 1 29 CYS HB2 H 5.035 5.752 6.915 1.00 . A A . 29 CYS HB2 1 1 2 964 1 1 29 CYS HB3 H 4.504 6.472 8.432 1.00 . A A . 29 CYS HB3 1 1 2 965 1 1 29 CYS N N 2.657 4.435 8.906 1.00 . A A . 29 CYS N 1 1 2 966 1 1 29 CYS O O 4.015 3.981 5.637 1.00 . A A . 29 CYS O 1 1 2 967 1 1 29 CYS SG S 5.705 4.444 8.792 1.00 . A A . 29 CYS SG 1 1 2 968 1 1 30 GLY C C 2.147 2.328 4.321 1.00 . A A . 30 GLY C 1 1 2 969 1 1 30 GLY CA C 2.317 1.821 5.739 1.00 . A A . 30 GLY CA 1 1 2 970 1 1 30 GLY H H 1.755 2.886 7.481 1.00 . A A . 30 GLY H 1 1 2 971 1 1 30 GLY HA2 H 3.235 1.255 5.801 1.00 . A A . 30 GLY HA2 1 1 2 972 1 1 30 GLY HA3 H 1.489 1.170 5.978 1.00 . A A . 30 GLY HA3 1 1 2 973 1 1 30 GLY N N 2.363 2.896 6.712 1.00 . A A . 30 GLY N 1 1 2 974 1 1 30 GLY O O 2.338 1.583 3.361 1.00 . A A . 30 GLY O 1 1 2 975 1 1 31 SER C C 2.697 3.801 1.916 1.00 . A A . 31 SER C 1 1 2 976 1 1 31 SER CA C 1.584 4.206 2.878 1.00 . A A . 31 SER CA 1 1 2 977 1 1 31 SER CB C 1.529 5.730 2.999 1.00 . A A . 31 SER CB 1 1 2 978 1 1 31 SER H H 1.649 4.144 4.993 1.00 . A A . 31 SER H 1 1 2 979 1 1 31 SER HA H 0.642 3.850 2.490 1.00 . A A . 31 SER HA 1 1 2 980 1 1 31 SER HB2 H 1.513 6.167 2.013 1.00 . A A . 31 SER HB2 1 1 2 981 1 1 31 SER HB3 H 0.633 6.013 3.533 1.00 . A A . 31 SER HB3 1 1 2 982 1 1 31 SER HG H 2.476 6.217 4.644 1.00 . A A . 31 SER HG 1 1 2 983 1 1 31 SER N N 1.786 3.601 4.189 1.00 . A A . 31 SER N 1 1 2 984 1 1 31 SER O O 2.493 2.978 1.024 1.00 . A A . 31 SER O 1 1 2 985 1 1 31 SER OG O 2.655 6.227 3.701 1.00 . A A . 31 SER OG 1 1 2 986 1 1 32 ASP C C 6.044 3.237 2.002 1.00 . A A . 32 ASP C 1 1 2 987 1 1 32 ASP CA C 5.022 4.088 1.255 1.00 . A A . 32 ASP CA 1 1 2 988 1 1 32 ASP CB C 5.675 5.382 0.769 1.00 . A A . 32 ASP CB 1 1 2 989 1 1 32 ASP CG C 5.599 6.492 1.799 1.00 . A A . 32 ASP CG 1 1 2 990 1 1 32 ASP H H 3.975 5.035 2.833 1.00 . A A . 32 ASP H 1 1 2 991 1 1 32 ASP HA H 4.666 3.532 0.401 1.00 . A A . 32 ASP HA 1 1 2 992 1 1 32 ASP HB2 H 6.716 5.192 0.548 1.00 . A A . 32 ASP HB2 1 1 2 993 1 1 32 ASP HB3 H 5.176 5.714 -0.129 1.00 . A A . 32 ASP HB3 1 1 2 994 1 1 32 ASP N N 3.875 4.387 2.104 1.00 . A A . 32 ASP N 1 1 2 995 1 1 32 ASP O O 7.247 3.333 1.755 1.00 . A A . 32 ASP O 1 1 2 996 1 1 32 ASP OD1 O 4.578 7.211 1.823 1.00 . A A . 32 ASP OD1 1 1 2 997 1 1 32 ASP OD2 O 6.559 6.640 2.583 1.00 . A A . 32 ASP OD2 1 1 2 998 1 1 33 HIS C C 5.741 0.213 4.014 1.00 . A A . 33 HIS C 1 1 2 999 1 1 33 HIS CA C 6.430 1.538 3.703 1.00 . A A . 33 HIS CA 1 1 2 1000 1 1 33 HIS CB C 6.838 2.231 5.003 1.00 . A A . 33 HIS CB 1 1 2 1001 1 1 33 HIS CD2 C 8.545 3.900 3.988 1.00 . A A . 33 HIS CD2 1 1 2 1002 1 1 33 HIS CE1 C 7.911 5.702 5.064 1.00 . A A . 33 HIS CE1 1 1 2 1003 1 1 33 HIS CG C 7.513 3.552 4.792 1.00 . A A . 33 HIS CG 1 1 2 1004 1 1 33 HIS H H 4.591 2.375 3.071 1.00 . A A . 33 HIS H 1 1 2 1005 1 1 33 HIS HA H 7.315 1.341 3.118 1.00 . A A . 33 HIS HA 1 1 2 1006 1 1 33 HIS HB2 H 5.958 2.402 5.605 1.00 . A A . 33 HIS HB2 1 1 2 1007 1 1 33 HIS HB3 H 7.520 1.592 5.546 1.00 . A A . 33 HIS HB3 1 1 2 1008 1 1 33 HIS HD1 H 6.415 4.776 6.109 1.00 . A A . 33 HIS HD1 1 1 2 1009 1 1 33 HIS HD2 H 9.089 3.245 3.322 1.00 . A A . 33 HIS HD2 1 1 2 1010 1 1 33 HIS HE1 H 7.848 6.722 5.413 1.00 . A A . 33 HIS HE1 1 1 2 1011 1 1 33 HIS N N 5.558 2.406 2.919 1.00 . A A . 33 HIS N 1 1 2 1012 1 1 33 HIS ND1 N 7.139 4.702 5.454 1.00 . A A . 33 HIS ND1 1 1 2 1013 1 1 33 HIS NE2 N 8.772 5.241 4.176 1.00 . A A . 33 HIS NE2 1 1 2 1014 1 1 33 HIS O O 4.722 0.179 4.705 1.00 . A A . 33 HIS O 1 1 2 1015 1 1 34 TRP C C 6.716 -3.083 4.494 1.00 . A A . 34 TRP C 1 1 2 1016 1 1 34 TRP CA C 5.741 -2.202 3.721 1.00 . A A . 34 TRP CA 1 1 2 1017 1 1 34 TRP CB C 5.389 -2.860 2.386 1.00 . A A . 34 TRP CB 1 1 2 1018 1 1 34 TRP CD1 C 5.943 -1.716 0.161 1.00 . A A . 34 TRP CD1 1 1 2 1019 1 1 34 TRP CD2 C 7.686 -2.732 1.133 1.00 . A A . 34 TRP CD2 1 1 2 1020 1 1 34 TRP CE2 C 8.122 -2.148 -0.072 1.00 . A A . 34 TRP CE2 1 1 2 1021 1 1 34 TRP CE3 C 8.611 -3.425 1.919 1.00 . A A . 34 TRP CE3 1 1 2 1022 1 1 34 TRP CG C 6.290 -2.444 1.263 1.00 . A A . 34 TRP CG 1 1 2 1023 1 1 34 TRP CH2 C 10.325 -2.923 0.280 1.00 . A A . 34 TRP CH2 1 1 2 1024 1 1 34 TRP CZ2 C 9.441 -2.239 -0.509 1.00 . A A . 34 TRP CZ2 1 1 2 1025 1 1 34 TRP CZ3 C 9.920 -3.514 1.484 1.00 . A A . 34 TRP CZ3 1 1 2 1026 1 1 34 TRP H H 7.114 -0.784 2.957 1.00 . A A . 34 TRP H 1 1 2 1027 1 1 34 TRP HA H 4.839 -2.086 4.304 1.00 . A A . 34 TRP HA 1 1 2 1028 1 1 34 TRP HB2 H 5.459 -3.932 2.490 1.00 . A A . 34 TRP HB2 1 1 2 1029 1 1 34 TRP HB3 H 4.376 -2.593 2.118 1.00 . A A . 34 TRP HB3 1 1 2 1030 1 1 34 TRP HD1 H 4.949 -1.346 -0.036 1.00 . A A . 34 TRP HD1 1 1 2 1031 1 1 34 TRP HE1 H 7.047 -1.045 -1.496 1.00 . A A . 34 TRP HE1 1 1 2 1032 1 1 34 TRP HE3 H 8.318 -3.888 2.850 1.00 . A A . 34 TRP HE3 1 1 2 1033 1 1 34 TRP HH2 H 11.357 -3.018 -0.020 1.00 . A A . 34 TRP HH2 1 1 2 1034 1 1 34 TRP HZ2 H 9.769 -1.788 -1.434 1.00 . A A . 34 TRP HZ2 1 1 2 1035 1 1 34 TRP HZ3 H 10.649 -4.046 2.078 1.00 . A A . 34 TRP HZ3 1 1 2 1036 1 1 34 TRP N N 6.302 -0.875 3.499 1.00 . A A . 34 TRP N 1 1 2 1037 1 1 34 TRP NE1 N 7.040 -1.535 -0.647 1.00 . A A . 34 TRP NE1 1 1 2 1038 1 1 34 TRP O O 7.900 -2.766 4.607 1.00 . A A . 34 TRP O 1 1 2 1039 1 1 35 CYS C C 7.418 -6.331 4.944 1.00 . A A . 35 CYS C 1 1 2 1040 1 1 35 CYS CA C 7.038 -5.119 5.789 1.00 . A A . 35 CYS CA 1 1 2 1041 1 1 35 CYS CB C 6.299 -5.574 7.050 1.00 . A A . 35 CYS CB 1 1 2 1042 1 1 35 CYS H H 5.259 -4.391 4.903 1.00 . A A . 35 CYS H 1 1 2 1043 1 1 35 CYS HA H 7.939 -4.600 6.078 1.00 . A A . 35 CYS HA 1 1 2 1044 1 1 35 CYS HB2 H 5.250 -5.691 6.821 1.00 . A A . 35 CYS HB2 1 1 2 1045 1 1 35 CYS HB3 H 6.701 -6.524 7.370 1.00 . A A . 35 CYS HB3 1 1 2 1046 1 1 35 CYS N N 6.211 -4.192 5.026 1.00 . A A . 35 CYS N 1 1 2 1047 1 1 35 CYS O O 6.940 -6.492 3.821 1.00 . A A . 35 CYS O 1 1 2 1048 1 1 35 CYS SG S 6.433 -4.415 8.449 1.00 . A A . 35 CYS SG 1 1 2 1049 1 1 36 ASP C C 7.533 -9.152 4.227 1.00 . A A . 36 ASP C 1 1 2 1050 1 1 36 ASP CA C 8.723 -8.380 4.789 1.00 . A A . 36 ASP CA 1 1 2 1051 1 1 36 ASP CB C 9.532 -9.277 5.728 1.00 . A A . 36 ASP CB 1 1 2 1052 1 1 36 ASP CG C 11.002 -8.907 5.757 1.00 . A A . 36 ASP CG 1 1 2 1053 1 1 36 ASP H H 8.625 -6.998 6.391 1.00 . A A . 36 ASP H 1 1 2 1054 1 1 36 ASP HA H 9.354 -8.070 3.970 1.00 . A A . 36 ASP HA 1 1 2 1055 1 1 36 ASP HB2 H 9.137 -9.187 6.730 1.00 . A A . 36 ASP HB2 1 1 2 1056 1 1 36 ASP HB3 H 9.443 -10.302 5.400 1.00 . A A . 36 ASP HB3 1 1 2 1057 1 1 36 ASP N N 8.279 -7.181 5.492 1.00 . A A . 36 ASP N 1 1 2 1058 1 1 36 ASP O O 7.595 -9.687 3.121 1.00 . A A . 36 ASP O 1 1 2 1059 1 1 36 ASP OD1 O 11.791 -9.555 5.038 1.00 . A A . 36 ASP OD1 1 1 2 1060 1 1 36 ASP OD2 O 11.363 -7.970 6.499 1.00 . A A . 36 ASP OD2 1 1 2 1061 1 1 37 ALA C C 4.268 -8.964 3.893 1.00 . A A . 37 ALA C 1 1 2 1062 1 1 37 ALA CA C 5.248 -9.911 4.577 1.00 . A A . 37 ALA CA 1 1 2 1063 1 1 37 ALA CB C 4.587 -10.586 5.770 1.00 . A A . 37 ALA CB 1 1 2 1064 1 1 37 ALA H H 6.464 -8.759 5.870 1.00 . A A . 37 ALA H 1 1 2 1065 1 1 37 ALA HA H 5.540 -10.680 3.876 1.00 . A A . 37 ALA HA 1 1 2 1066 1 1 37 ALA HB1 H 5.271 -10.587 6.606 1.00 . A A . 37 ALA HB1 1 1 2 1067 1 1 37 ALA HB2 H 3.691 -10.047 6.038 1.00 . A A . 37 ALA HB2 1 1 2 1068 1 1 37 ALA HB3 H 4.332 -11.603 5.512 1.00 . A A . 37 ALA HB3 1 1 2 1069 1 1 37 ALA N N 6.452 -9.206 4.998 1.00 . A A . 37 ALA N 1 1 2 1070 1 1 37 ALA O O 3.821 -7.983 4.486 1.00 . A A . 37 ALA O 1 1 2 1071 1 1 38 SER C C 1.672 -8.317 2.589 1.00 . A A . 38 SER C 1 1 2 1072 1 1 38 SER CA C 3.014 -8.437 1.874 1.00 . A A . 38 SER CA 1 1 2 1073 1 1 38 SER CB C 2.809 -9.025 0.476 1.00 . A A . 38 SER CB 1 1 2 1074 1 1 38 SER H H 4.328 -10.061 2.222 1.00 . A A . 38 SER H 1 1 2 1075 1 1 38 SER HA H 3.449 -7.453 1.781 1.00 . A A . 38 SER HA 1 1 2 1076 1 1 38 SER HB2 H 3.071 -10.072 0.487 1.00 . A A . 38 SER HB2 1 1 2 1077 1 1 38 SER HB3 H 1.773 -8.915 0.191 1.00 . A A . 38 SER HB3 1 1 2 1078 1 1 38 SER HG H 3.447 -7.418 -0.446 1.00 . A A . 38 SER HG 1 1 2 1079 1 1 38 SER N N 3.938 -9.265 2.641 1.00 . A A . 38 SER N 1 1 2 1080 1 1 38 SER O O 0.706 -8.992 2.237 1.00 . A A . 38 SER O 1 1 2 1081 1 1 38 SER OG O 3.619 -8.362 -0.479 1.00 . A A . 38 SER OG 1 1 2 1082 1 1 39 GLY C C 0.609 -6.457 5.615 1.00 . A A . 39 GLY C 1 1 2 1083 1 1 39 GLY CA C 0.393 -7.256 4.345 1.00 . A A . 39 GLY CA 1 1 2 1084 1 1 39 GLY H H 2.422 -6.938 3.832 1.00 . A A . 39 GLY H 1 1 2 1085 1 1 39 GLY HA2 H -0.318 -6.734 3.722 1.00 . A A . 39 GLY HA2 1 1 2 1086 1 1 39 GLY HA3 H -0.013 -8.222 4.606 1.00 . A A . 39 GLY HA3 1 1 2 1087 1 1 39 GLY N N 1.620 -7.450 3.596 1.00 . A A . 39 GLY N 1 1 2 1088 1 1 39 GLY O O -0.323 -5.849 6.141 1.00 . A A . 39 GLY O 1 1 2 1089 1 1 40 ASP C C 2.549 -4.286 7.012 1.00 . A A . 40 ASP C 1 1 2 1090 1 1 40 ASP CA C 2.178 -5.731 7.329 1.00 . A A . 40 ASP CA 1 1 2 1091 1 1 40 ASP CB C 3.333 -6.419 8.058 1.00 . A A . 40 ASP CB 1 1 2 1092 1 1 40 ASP CG C 2.853 -7.431 9.079 1.00 . A A . 40 ASP CG 1 1 2 1093 1 1 40 ASP H H 2.543 -6.964 5.646 1.00 . A A . 40 ASP H 1 1 2 1094 1 1 40 ASP HA H 1.308 -5.734 7.968 1.00 . A A . 40 ASP HA 1 1 2 1095 1 1 40 ASP HB2 H 3.953 -6.930 7.335 1.00 . A A . 40 ASP HB2 1 1 2 1096 1 1 40 ASP HB3 H 3.924 -5.672 8.568 1.00 . A A . 40 ASP HB3 1 1 2 1097 1 1 40 ASP N N 1.842 -6.460 6.111 1.00 . A A . 40 ASP N 1 1 2 1098 1 1 40 ASP O O 3.359 -4.023 6.123 1.00 . A A . 40 ASP O 1 1 2 1099 1 1 40 ASP OD1 O 3.623 -7.748 10.009 1.00 . A A . 40 ASP OD1 1 1 2 1100 1 1 40 ASP OD2 O 1.705 -7.907 8.947 1.00 . A A . 40 ASP OD2 1 1 2 1101 1 1 41 ARG C C 3.300 -1.440 8.492 1.00 . A A . 41 ARG C 1 1 2 1102 1 1 41 ARG CA C 2.215 -1.934 7.539 1.00 . A A . 41 ARG CA 1 1 2 1103 1 1 41 ARG CB C 0.935 -1.119 7.741 1.00 . A A . 41 ARG CB 1 1 2 1104 1 1 41 ARG CD C -1.331 -0.976 8.816 1.00 . A A . 41 ARG CD 1 1 2 1105 1 1 41 ARG CG C -0.169 -1.886 8.451 1.00 . A A . 41 ARG CG 1 1 2 1106 1 1 41 ARG CZ C -2.254 -0.125 6.703 1.00 . A A . 41 ARG CZ 1 1 2 1107 1 1 41 ARG H H 1.313 -3.624 8.438 1.00 . A A . 41 ARG H 1 1 2 1108 1 1 41 ARG HA H 2.558 -1.803 6.524 1.00 . A A . 41 ARG HA 1 1 2 1109 1 1 41 ARG HB2 H 1.169 -0.243 8.326 1.00 . A A . 41 ARG HB2 1 1 2 1110 1 1 41 ARG HB3 H 0.565 -0.809 6.775 1.00 . A A . 41 ARG HB3 1 1 2 1111 1 1 41 ARG HD2 H -1.791 -1.348 9.721 1.00 . A A . 41 ARG HD2 1 1 2 1112 1 1 41 ARG HD3 H -0.952 0.019 8.989 1.00 . A A . 41 ARG HD3 1 1 2 1113 1 1 41 ARG HE H -3.116 -1.514 7.845 1.00 . A A . 41 ARG HE 1 1 2 1114 1 1 41 ARG HG2 H -0.529 -2.667 7.798 1.00 . A A . 41 ARG HG2 1 1 2 1115 1 1 41 ARG HG3 H 0.233 -2.323 9.353 1.00 . A A . 41 ARG HG3 1 1 2 1116 1 1 41 ARG HH11 H -0.490 0.693 7.251 1.00 . A A . 41 ARG HH11 1 1 2 1117 1 1 41 ARG HH12 H -1.151 1.284 5.763 1.00 . A A . 41 ARG HH12 1 1 2 1118 1 1 41 ARG HH21 H -3.997 -0.744 5.887 1.00 . A A . 41 ARG HH21 1 1 2 1119 1 1 41 ARG HH22 H -3.146 0.466 4.988 1.00 . A A . 41 ARG HH22 1 1 2 1120 1 1 41 ARG N N 1.950 -3.352 7.744 1.00 . A A . 41 ARG N 1 1 2 1121 1 1 41 ARG NE N -2.339 -0.925 7.760 1.00 . A A . 41 ARG NE 1 1 2 1122 1 1 41 ARG NH1 N -1.213 0.684 6.561 1.00 . A A . 41 ARG NH1 1 1 2 1123 1 1 41 ARG NH2 N -3.211 -0.135 5.784 1.00 . A A . 41 ARG NH2 1 1 2 1124 1 1 41 ARG O O 3.224 -1.656 9.702 1.00 . A A . 41 ARG O 1 1 2 1125 1 1 42 CYS C C 5.020 1.061 9.406 1.00 . A A . 42 CYS C 1 1 2 1126 1 1 42 CYS CA C 5.411 -0.253 8.737 1.00 . A A . 42 CYS CA 1 1 2 1127 1 1 42 CYS CB C 6.649 -0.045 7.862 1.00 . A A . 42 CYS CB 1 1 2 1128 1 1 42 CYS H H 4.314 -0.636 6.967 1.00 . A A . 42 CYS H 1 1 2 1129 1 1 42 CYS HA H 5.640 -0.979 9.503 1.00 . A A . 42 CYS HA 1 1 2 1130 1 1 42 CYS HB2 H 6.334 0.162 6.850 1.00 . A A . 42 CYS HB2 1 1 2 1131 1 1 42 CYS HB3 H 7.209 0.798 8.240 1.00 . A A . 42 CYS HB3 1 1 2 1132 1 1 42 CYS N N 4.309 -0.777 7.938 1.00 . A A . 42 CYS N 1 1 2 1133 1 1 42 CYS O O 4.475 1.960 8.765 1.00 . A A . 42 CYS O 1 1 2 1134 1 1 42 CYS SG S 7.771 -1.479 7.809 1.00 . A A . 42 CYS SG 1 1 2 1135 1 1 43 CYS C C 6.198 3.286 11.564 1.00 . A A . 43 CYS C 1 1 2 1136 1 1 43 CYS CA C 4.982 2.370 11.458 1.00 . A A . 43 CYS CA 1 1 2 1137 1 1 43 CYS CB C 4.486 2.000 12.857 1.00 . A A . 43 CYS CB 1 1 2 1138 1 1 43 CYS H H 5.739 0.416 11.158 1.00 . A A . 43 CYS H 1 1 2 1139 1 1 43 CYS HA H 4.197 2.893 10.934 1.00 . A A . 43 CYS HA 1 1 2 1140 1 1 43 CYS HB2 H 5.146 1.256 13.280 1.00 . A A . 43 CYS HB2 1 1 2 1141 1 1 43 CYS HB3 H 4.500 2.881 13.481 1.00 . A A . 43 CYS HB3 1 1 2 1142 1 1 43 CYS N N 5.303 1.167 10.700 1.00 . A A . 43 CYS N 1 1 2 1143 1 1 43 CYS O O 7.335 2.853 11.373 1.00 . A A . 43 CYS O 1 1 2 1144 1 1 43 CYS SG S 2.795 1.322 12.891 1.00 . A A . 43 CYS SG 1 1 2 1145 1 1 44 CYS C C 6.811 6.411 13.231 1.00 . A A . 44 CYS C 1 1 2 1146 1 1 44 CYS CA C 7.022 5.535 12.001 1.00 . A A . 44 CYS CA 1 1 2 1147 1 1 44 CYS CB C 7.101 6.407 10.746 1.00 . A A . 44 CYS CB 1 1 2 1148 1 1 44 CYS H H 5.022 4.842 12.009 1.00 . A A . 44 CYS H 1 1 2 1149 1 1 44 CYS HA H 7.951 4.996 12.113 1.00 . A A . 44 CYS HA 1 1 2 1150 1 1 44 CYS HB2 H 6.178 6.959 10.643 1.00 . A A . 44 CYS HB2 1 1 2 1151 1 1 44 CYS HB3 H 7.920 7.103 10.852 1.00 . A A . 44 CYS HB3 1 1 2 1152 1 1 44 CYS N N 5.950 4.556 11.869 1.00 . A A . 44 CYS N 1 1 2 1153 1 1 44 CYS O O 5.726 6.952 13.442 1.00 . A A . 44 CYS O 1 1 2 1154 1 1 44 CYS SG S 7.362 5.472 9.205 1.00 . A A . 44 CYS SG 1 1 2 1155 1 1 45 ALA C C 7.932 8.842 14.923 1.00 . A A . 45 ALA C 1 1 2 1156 1 1 45 ALA CA C 7.786 7.359 15.249 1.00 . A A . 45 ALA CA 1 1 2 1157 1 1 45 ALA CB C 8.857 6.927 16.239 1.00 . A A . 45 ALA CB 1 1 2 1158 1 1 45 ALA H H 8.694 6.091 13.820 1.00 . A A . 45 ALA H 1 1 2 1159 1 1 45 ALA HA H 6.820 7.195 15.707 1.00 . A A . 45 ALA HA 1 1 2 1160 1 1 45 ALA HB1 H 8.469 7.004 17.245 1.00 . A A . 45 ALA HB1 1 1 2 1161 1 1 45 ALA HB2 H 9.139 5.904 16.040 1.00 . A A . 45 ALA HB2 1 1 2 1162 1 1 45 ALA HB3 H 9.721 7.566 16.136 1.00 . A A . 45 ALA HB3 1 1 2 1163 1 1 45 ALA N N 7.856 6.547 14.041 1.00 . A A . 45 ALA N 1 1 2 1164 1 1 45 ALA O O 7.801 9.696 15.801 1.00 . A A . 45 ALA O 1 1 3 1165 1 1 1 CYS C C 2.801 -1.426 -1.587 1.00 . A A . 1 CYS C 1 1 3 1166 1 1 1 CYS CA C 2.130 -0.073 -1.367 1.00 . A A . 1 CYS CA 1 1 3 1167 1 1 1 CYS CB C 3.191 1.024 -1.265 1.00 . A A . 1 CYS CB 1 1 3 1168 1 1 1 CYS HA H 1.487 0.137 -2.208 1.00 . A A . 1 CYS HA 1 1 3 1169 1 1 1 CYS HB2 H 3.987 0.811 -1.965 1.00 . A A . 1 CYS HB2 1 1 3 1170 1 1 1 CYS HB3 H 2.742 1.973 -1.517 1.00 . A A . 1 CYS HB3 1 1 3 1171 1 1 1 CYS N N 1.305 -0.092 -0.165 1.00 . A A . 1 CYS N 1 1 3 1172 1 1 1 CYS O O 2.981 -2.202 -0.648 1.00 . A A . 1 CYS O 1 1 3 1173 1 1 1 CYS SG S 3.938 1.184 0.388 1.00 . A A . 1 CYS SG 1 1 3 1174 1 1 2 TYR C C 5.321 -2.884 -2.936 1.00 . A A . 2 TYR C 1 1 3 1175 1 1 2 TYR CA C 3.817 -2.962 -3.177 1.00 . A A . 2 TYR CA 1 1 3 1176 1 1 2 TYR CB C 3.542 -3.318 -4.639 1.00 . A A . 2 TYR CB 1 1 3 1177 1 1 2 TYR CD1 C 1.832 -5.046 -3.957 1.00 . A A . 2 TYR CD1 1 1 3 1178 1 1 2 TYR CD2 C 3.209 -5.512 -5.846 1.00 . A A . 2 TYR CD2 1 1 3 1179 1 1 2 TYR CE1 C 1.195 -6.262 -4.115 1.00 . A A . 2 TYR CE1 1 1 3 1180 1 1 2 TYR CE2 C 2.577 -6.729 -6.013 1.00 . A A . 2 TYR CE2 1 1 3 1181 1 1 2 TYR CG C 2.848 -4.650 -4.818 1.00 . A A . 2 TYR CG 1 1 3 1182 1 1 2 TYR CZ C 1.571 -7.099 -5.145 1.00 . A A . 2 TYR CZ 1 1 3 1183 1 1 2 TYR H H 2.998 -1.044 -3.539 1.00 . A A . 2 TYR H 1 1 3 1184 1 1 2 TYR HA H 3.402 -3.733 -2.545 1.00 . A A . 2 TYR HA 1 1 3 1185 1 1 2 TYR HB2 H 2.915 -2.557 -5.077 1.00 . A A . 2 TYR HB2 1 1 3 1186 1 1 2 TYR HB3 H 4.479 -3.358 -5.175 1.00 . A A . 2 TYR HB3 1 1 3 1187 1 1 2 TYR HD1 H 1.540 -4.388 -3.151 1.00 . A A . 2 TYR HD1 1 1 3 1188 1 1 2 TYR HD2 H 3.998 -5.218 -6.523 1.00 . A A . 2 TYR HD2 1 1 3 1189 1 1 2 TYR HE1 H 0.407 -6.553 -3.436 1.00 . A A . 2 TYR HE1 1 1 3 1190 1 1 2 TYR HE2 H 2.871 -7.385 -6.818 1.00 . A A . 2 TYR HE2 1 1 3 1191 1 1 2 TYR HH H 1.141 -8.879 -4.559 1.00 . A A . 2 TYR HH 1 1 3 1192 1 1 2 TYR N N 3.168 -1.702 -2.833 1.00 . A A . 2 TYR N 1 1 3 1193 1 1 2 TYR O O 5.921 -1.809 -2.936 1.00 . A A . 2 TYR O 1 1 3 1194 1 1 2 TYR OH O 0.940 -8.311 -5.307 1.00 . A A . 2 TYR OH 1 1 3 1195 1 1 3 PRO C C 8.211 -3.815 -3.720 1.00 . A A . 3 PRO C 1 1 3 1196 1 1 3 PRO CA C 7.389 -4.144 -2.479 1.00 . A A . 3 PRO CA 1 1 3 1197 1 1 3 PRO CB C 7.588 -5.607 -2.078 1.00 . A A . 3 PRO CB 1 1 3 1198 1 1 3 PRO CD C 5.295 -5.372 -2.711 1.00 . A A . 3 PRO CD 1 1 3 1199 1 1 3 PRO CG C 6.452 -6.332 -2.714 1.00 . A A . 3 PRO CG 1 1 3 1200 1 1 3 PRO HA H 7.695 -3.501 -1.666 1.00 . A A . 3 PRO HA 1 1 3 1201 1 1 3 PRO HB2 H 8.540 -5.959 -2.450 1.00 . A A . 3 PRO HB2 1 1 3 1202 1 1 3 PRO HB3 H 7.560 -5.697 -1.002 1.00 . A A . 3 PRO HB3 1 1 3 1203 1 1 3 PRO HD2 H 4.687 -5.511 -3.592 1.00 . A A . 3 PRO HD2 1 1 3 1204 1 1 3 PRO HD3 H 4.701 -5.498 -1.817 1.00 . A A . 3 PRO HD3 1 1 3 1205 1 1 3 PRO HG2 H 6.711 -6.604 -3.725 1.00 . A A . 3 PRO HG2 1 1 3 1206 1 1 3 PRO HG3 H 6.209 -7.212 -2.137 1.00 . A A . 3 PRO HG3 1 1 3 1207 1 1 3 PRO N N 5.947 -4.051 -2.725 1.00 . A A . 3 PRO N 1 1 3 1208 1 1 3 PRO O O 8.644 -4.710 -4.445 1.00 . A A . 3 PRO O 1 1 3 1209 1 1 4 GLY C C 8.471 -1.058 -5.943 1.00 . A A . 4 GLY C 1 1 3 1210 1 1 4 GLY CA C 9.194 -2.101 -5.114 1.00 . A A . 4 GLY CA 1 1 3 1211 1 1 4 GLY H H 8.054 -1.854 -3.347 1.00 . A A . 4 GLY H 1 1 3 1212 1 1 4 GLY HA2 H 10.133 -1.690 -4.776 1.00 . A A . 4 GLY HA2 1 1 3 1213 1 1 4 GLY HA3 H 9.393 -2.963 -5.735 1.00 . A A . 4 GLY HA3 1 1 3 1214 1 1 4 GLY N N 8.424 -2.525 -3.960 1.00 . A A . 4 GLY N 1 1 3 1215 1 1 4 GLY O O 8.868 -0.768 -7.071 1.00 . A A . 4 GLY O 1 1 3 1216 1 1 5 GLN C C 7.355 1.862 -6.081 1.00 . A A . 5 GLN C 1 1 3 1217 1 1 5 GLN CA C 6.626 0.523 -6.078 1.00 . A A . 5 GLN CA 1 1 3 1218 1 1 5 GLN CB C 5.252 0.677 -5.424 1.00 . A A . 5 GLN CB 1 1 3 1219 1 1 5 GLN CD C 2.913 -0.252 -5.641 1.00 . A A . 5 GLN CD 1 1 3 1220 1 1 5 GLN CG C 4.389 -0.571 -5.517 1.00 . A A . 5 GLN CG 1 1 3 1221 1 1 5 GLN H H 7.140 -0.766 -4.480 1.00 . A A . 5 GLN H 1 1 3 1222 1 1 5 GLN HA H 6.493 0.197 -7.099 1.00 . A A . 5 GLN HA 1 1 3 1223 1 1 5 GLN HB2 H 5.389 0.918 -4.380 1.00 . A A . 5 GLN HB2 1 1 3 1224 1 1 5 GLN HB3 H 4.726 1.489 -5.906 1.00 . A A . 5 GLN HB3 1 1 3 1225 1 1 5 GLN HE21 H 2.841 -1.152 -7.412 1.00 . A A . 5 GLN HE21 1 1 3 1226 1 1 5 GLN HE22 H 1.353 -0.476 -6.853 1.00 . A A . 5 GLN HE22 1 1 3 1227 1 1 5 GLN HG2 H 4.693 -1.139 -6.384 1.00 . A A . 5 GLN HG2 1 1 3 1228 1 1 5 GLN HG3 H 4.542 -1.165 -4.628 1.00 . A A . 5 GLN HG3 1 1 3 1229 1 1 5 GLN N N 7.407 -0.493 -5.382 1.00 . A A . 5 GLN N 1 1 3 1230 1 1 5 GLN NE2 N 2.307 -0.668 -6.747 1.00 . A A . 5 GLN NE2 1 1 3 1231 1 1 5 GLN O O 8.197 2.140 -5.228 1.00 . A A . 5 GLN O 1 1 3 1232 1 1 5 GLN OE1 O 2.322 0.362 -4.752 1.00 . A A . 5 GLN OE1 1 1 3 1233 1 1 6 PRO C C 7.204 4.995 -6.095 1.00 . A A . 6 PRO C 1 1 3 1234 1 1 6 PRO CA C 7.636 4.039 -7.202 1.00 . A A . 6 PRO CA 1 1 3 1235 1 1 6 PRO CB C 7.124 4.526 -8.560 1.00 . A A . 6 PRO CB 1 1 3 1236 1 1 6 PRO CD C 6.029 2.449 -8.116 1.00 . A A . 6 PRO CD 1 1 3 1237 1 1 6 PRO CG C 5.846 3.791 -8.769 1.00 . A A . 6 PRO CG 1 1 3 1238 1 1 6 PRO HA H 8.715 3.978 -7.222 1.00 . A A . 6 PRO HA 1 1 3 1239 1 1 6 PRO HB2 H 6.965 5.595 -8.525 1.00 . A A . 6 PRO HB2 1 1 3 1240 1 1 6 PRO HB3 H 7.846 4.289 -9.327 1.00 . A A . 6 PRO HB3 1 1 3 1241 1 1 6 PRO HD2 H 5.098 2.107 -7.688 1.00 . A A . 6 PRO HD2 1 1 3 1242 1 1 6 PRO HD3 H 6.405 1.730 -8.829 1.00 . A A . 6 PRO HD3 1 1 3 1243 1 1 6 PRO HG2 H 5.033 4.327 -8.303 1.00 . A A . 6 PRO HG2 1 1 3 1244 1 1 6 PRO HG3 H 5.661 3.671 -9.826 1.00 . A A . 6 PRO HG3 1 1 3 1245 1 1 6 PRO N N 7.025 2.714 -7.064 1.00 . A A . 6 PRO N 1 1 3 1246 1 1 6 PRO O O 6.197 5.690 -6.220 1.00 . A A . 6 PRO O 1 1 3 1247 1 1 7 GLY C C 7.717 5.185 -2.563 1.00 . A A . 7 GLY C 1 1 3 1248 1 1 7 GLY CA C 7.653 5.899 -3.898 1.00 . A A . 7 GLY CA 1 1 3 1249 1 1 7 GLY H H 8.765 4.448 -4.967 1.00 . A A . 7 GLY H 1 1 3 1250 1 1 7 GLY HA2 H 8.352 6.722 -3.888 1.00 . A A . 7 GLY HA2 1 1 3 1251 1 1 7 GLY HA3 H 6.655 6.289 -4.037 1.00 . A A . 7 GLY HA3 1 1 3 1252 1 1 7 GLY N N 7.973 5.025 -5.011 1.00 . A A . 7 GLY N 1 1 3 1253 1 1 7 GLY O O 7.992 5.802 -1.533 1.00 . A A . 7 GLY O 1 1 3 1254 1 1 8 CYS C C 8.839 2.393 -1.190 1.00 . A A . 8 CYS C 1 1 3 1255 1 1 8 CYS CA C 7.488 3.082 -1.359 1.00 . A A . 8 CYS CA 1 1 3 1256 1 1 8 CYS CB C 6.370 2.038 -1.383 1.00 . A A . 8 CYS CB 1 1 3 1257 1 1 8 CYS H H 7.248 3.445 -3.430 1.00 . A A . 8 CYS H 1 1 3 1258 1 1 8 CYS HA H 7.330 3.746 -0.523 1.00 . A A . 8 CYS HA 1 1 3 1259 1 1 8 CYS HB2 H 5.494 2.471 -1.845 1.00 . A A . 8 CYS HB2 1 1 3 1260 1 1 8 CYS HB3 H 6.694 1.188 -1.965 1.00 . A A . 8 CYS HB3 1 1 3 1261 1 1 8 CYS N N 7.461 3.881 -2.578 1.00 . A A . 8 CYS N 1 1 3 1262 1 1 8 CYS O O 9.668 2.397 -2.099 1.00 . A A . 8 CYS O 1 1 3 1263 1 1 8 CYS SG S 5.883 1.431 0.264 1.00 . A A . 8 CYS SG 1 1 3 1264 1 1 9 GLY C C 10.376 0.568 1.659 1.00 . A A . 9 GLY C 1 1 3 1265 1 1 9 GLY CA C 10.304 1.114 0.247 1.00 . A A . 9 GLY CA 1 1 3 1266 1 1 9 GLY H H 8.355 1.828 0.669 1.00 . A A . 9 GLY H 1 1 3 1267 1 1 9 GLY HA2 H 10.410 0.297 -0.450 1.00 . A A . 9 GLY HA2 1 1 3 1268 1 1 9 GLY HA3 H 11.119 1.807 0.100 1.00 . A A . 9 GLY HA3 1 1 3 1269 1 1 9 GLY N N 9.053 1.800 -0.019 1.00 . A A . 9 GLY N 1 1 3 1270 1 1 9 GLY O O 9.434 0.716 2.439 1.00 . A A . 9 GLY O 1 1 3 1271 1 1 10 HIS C C 11.806 0.457 4.370 1.00 . A A . 10 HIS C 1 1 3 1272 1 1 10 HIS CA C 11.686 -0.641 3.318 1.00 . A A . 10 HIS CA 1 1 3 1273 1 1 10 HIS CB C 12.933 -1.525 3.341 1.00 . A A . 10 HIS CB 1 1 3 1274 1 1 10 HIS CD2 C 12.078 -3.081 5.231 1.00 . A A . 10 HIS CD2 1 1 3 1275 1 1 10 HIS CE1 C 12.935 -4.965 4.507 1.00 . A A . 10 HIS CE1 1 1 3 1276 1 1 10 HIS CG C 12.741 -2.812 4.083 1.00 . A A . 10 HIS CG 1 1 3 1277 1 1 10 HIS H H 12.210 -0.155 1.325 1.00 . A A . 10 HIS H 1 1 3 1278 1 1 10 HIS HA H 10.822 -1.246 3.545 1.00 . A A . 10 HIS HA 1 1 3 1279 1 1 10 HIS HB2 H 13.214 -1.766 2.327 1.00 . A A . 10 HIS HB2 1 1 3 1280 1 1 10 HIS HB3 H 13.740 -0.985 3.815 1.00 . A A . 10 HIS HB3 1 1 3 1281 1 1 10 HIS HD1 H 13.804 -4.146 2.846 1.00 . A A . 10 HIS HD1 1 1 3 1282 1 1 10 HIS HD2 H 11.541 -2.371 5.844 1.00 . A A . 10 HIS HD2 1 1 3 1283 1 1 10 HIS HE1 H 13.206 -6.007 4.428 1.00 . A A . 10 HIS HE1 1 1 3 1284 1 1 10 HIS N N 11.495 -0.068 1.990 1.00 . A A . 10 HIS N 1 1 3 1285 1 1 10 HIS ND1 N 13.268 -4.012 3.655 1.00 . A A . 10 HIS ND1 1 1 3 1286 1 1 10 HIS NE2 N 12.213 -4.426 5.473 1.00 . A A . 10 HIS NE2 1 1 3 1287 1 1 10 HIS O O 12.700 1.302 4.302 1.00 . A A . 10 HIS O 1 1 3 1288 1 1 11 CYS C C 12.171 1.322 7.253 1.00 . A A . 11 CYS C 1 1 3 1289 1 1 11 CYS CA C 10.904 1.434 6.409 1.00 . A A . 11 CYS CA 1 1 3 1290 1 1 11 CYS CB C 9.670 1.264 7.297 1.00 . A A . 11 CYS CB 1 1 3 1291 1 1 11 CYS H H 10.213 -0.259 5.343 1.00 . A A . 11 CYS H 1 1 3 1292 1 1 11 CYS HA H 10.876 2.411 5.952 1.00 . A A . 11 CYS HA 1 1 3 1293 1 1 11 CYS HB2 H 9.600 2.107 7.969 1.00 . A A . 11 CYS HB2 1 1 3 1294 1 1 11 CYS HB3 H 8.789 1.233 6.674 1.00 . A A . 11 CYS HB3 1 1 3 1295 1 1 11 CYS N N 10.901 0.440 5.343 1.00 . A A . 11 CYS N 1 1 3 1296 1 1 11 CYS O O 12.904 0.338 7.163 1.00 . A A . 11 CYS O 1 1 3 1297 1 1 11 CYS SG S 9.686 -0.250 8.311 1.00 . A A . 11 CYS SG 1 1 3 1298 1 1 12 SER C C 13.368 3.239 10.153 1.00 . A A . 12 SER C 1 1 3 1299 1 1 12 SER CA C 13.600 2.357 8.930 1.00 . A A . 12 SER CA 1 1 3 1300 1 1 12 SER CB C 14.817 2.858 8.149 1.00 . A A . 12 SER CB 1 1 3 1301 1 1 12 SER H H 11.798 3.095 8.099 1.00 . A A . 12 SER H 1 1 3 1302 1 1 12 SER HA H 13.786 1.346 9.260 1.00 . A A . 12 SER HA 1 1 3 1303 1 1 12 SER HB2 H 14.936 3.918 8.315 1.00 . A A . 12 SER HB2 1 1 3 1304 1 1 12 SER HB3 H 15.700 2.338 8.492 1.00 . A A . 12 SER HB3 1 1 3 1305 1 1 12 SER HG H 15.461 2.890 6.300 1.00 . A A . 12 SER HG 1 1 3 1306 1 1 12 SER N N 12.421 2.339 8.072 1.00 . A A . 12 SER N 1 1 3 1307 1 1 12 SER O O 12.620 4.215 10.096 1.00 . A A . 12 SER O 1 1 3 1308 1 1 12 SER OG O 14.661 2.627 6.760 1.00 . A A . 12 SER OG 1 1 3 1309 1 1 13 ARG C C 13.885 5.145 12.220 1.00 . A A . 13 ARG C 1 1 3 1310 1 1 13 ARG CA C 13.880 3.645 12.498 1.00 . A A . 13 ARG CA 1 1 3 1311 1 1 13 ARG CB C 15.012 3.290 13.464 1.00 . A A . 13 ARG CB 1 1 3 1312 1 1 13 ARG CD C 14.556 2.412 15.774 1.00 . A A . 13 ARG CD 1 1 3 1313 1 1 13 ARG CG C 14.730 2.056 14.306 1.00 . A A . 13 ARG CG 1 1 3 1314 1 1 13 ARG CZ C 12.889 1.942 17.519 1.00 . A A . 13 ARG CZ 1 1 3 1315 1 1 13 ARG H H 14.598 2.099 11.243 1.00 . A A . 13 ARG H 1 1 3 1316 1 1 13 ARG HA H 12.937 3.377 12.949 1.00 . A A . 13 ARG HA 1 1 3 1317 1 1 13 ARG HB2 H 15.913 3.112 12.895 1.00 . A A . 13 ARG HB2 1 1 3 1318 1 1 13 ARG HB3 H 15.175 4.124 14.130 1.00 . A A . 13 ARG HB3 1 1 3 1319 1 1 13 ARG HD2 H 15.500 2.274 16.279 1.00 . A A . 13 ARG HD2 1 1 3 1320 1 1 13 ARG HD3 H 14.257 3.447 15.847 1.00 . A A . 13 ARG HD3 1 1 3 1321 1 1 13 ARG HE H 13.348 0.709 16.019 1.00 . A A . 13 ARG HE 1 1 3 1322 1 1 13 ARG HG2 H 13.824 1.589 13.950 1.00 . A A . 13 ARG HG2 1 1 3 1323 1 1 13 ARG HG3 H 15.556 1.368 14.206 1.00 . A A . 13 ARG HG3 1 1 3 1324 1 1 13 ARG HH11 H 13.816 3.729 17.688 1.00 . A A . 13 ARG HH11 1 1 3 1325 1 1 13 ARG HH12 H 12.638 3.385 18.911 1.00 . A A . 13 ARG HH12 1 1 3 1326 1 1 13 ARG HH21 H 11.796 0.245 17.625 1.00 . A A . 13 ARG HH21 1 1 3 1327 1 1 13 ARG HH22 H 11.491 1.403 18.875 1.00 . A A . 13 ARG HH22 1 1 3 1328 1 1 13 ARG N N 14.016 2.887 11.259 1.00 . A A . 13 ARG N 1 1 3 1329 1 1 13 ARG NE N 13.546 1.580 16.422 1.00 . A A . 13 ARG NE 1 1 3 1330 1 1 13 ARG NH1 N 13.135 3.114 18.086 1.00 . A A . 13 ARG NH1 1 1 3 1331 1 1 13 ARG NH2 N 11.984 1.130 18.050 1.00 . A A . 13 ARG NH2 1 1 3 1332 1 1 13 ARG O O 14.553 5.630 11.306 1.00 . A A . 13 ARG O 1 1 3 1333 1 1 14 PRO C C 11.144 4.512 13.606 1.00 . A A . 14 PRO C 1 1 3 1334 1 1 14 PRO CA C 12.324 5.332 14.117 1.00 . A A . 14 PRO CA 1 1 3 1335 1 1 14 PRO CB C 11.828 6.568 14.872 1.00 . A A . 14 PRO CB 1 1 3 1336 1 1 14 PRO CD C 12.982 7.362 12.935 1.00 . A A . 14 PRO CD 1 1 3 1337 1 1 14 PRO CG C 11.833 7.659 13.858 1.00 . A A . 14 PRO CG 1 1 3 1338 1 1 14 PRO HA H 12.926 4.723 14.775 1.00 . A A . 14 PRO HA 1 1 3 1339 1 1 14 PRO HB2 H 10.833 6.385 15.253 1.00 . A A . 14 PRO HB2 1 1 3 1340 1 1 14 PRO HB3 H 12.498 6.787 15.690 1.00 . A A . 14 PRO HB3 1 1 3 1341 1 1 14 PRO HD2 H 12.743 7.664 11.926 1.00 . A A . 14 PRO HD2 1 1 3 1342 1 1 14 PRO HD3 H 13.879 7.857 13.277 1.00 . A A . 14 PRO HD3 1 1 3 1343 1 1 14 PRO HG2 H 10.902 7.656 13.312 1.00 . A A . 14 PRO HG2 1 1 3 1344 1 1 14 PRO HG3 H 11.981 8.612 14.345 1.00 . A A . 14 PRO HG3 1 1 3 1345 1 1 14 PRO N N 13.123 5.899 13.026 1.00 . A A . 14 PRO N 1 1 3 1346 1 1 14 PRO O O 10.235 4.176 14.364 1.00 . A A . 14 PRO O 1 1 3 1347 1 1 15 ASN C C 10.327 1.918 11.915 1.00 . A A . 15 ASN C 1 1 3 1348 1 1 15 ASN CA C 10.098 3.411 11.704 1.00 . A A . 15 ASN CA 1 1 3 1349 1 1 15 ASN CB C 10.006 3.718 10.208 1.00 . A A . 15 ASN CB 1 1 3 1350 1 1 15 ASN CG C 10.278 5.178 9.899 1.00 . A A . 15 ASN CG 1 1 3 1351 1 1 15 ASN H H 11.918 4.490 11.762 1.00 . A A . 15 ASN H 1 1 3 1352 1 1 15 ASN HA H 9.169 3.692 12.177 1.00 . A A . 15 ASN HA 1 1 3 1353 1 1 15 ASN HB2 H 10.732 3.117 9.678 1.00 . A A . 15 ASN HB2 1 1 3 1354 1 1 15 ASN HB3 H 9.016 3.472 9.855 1.00 . A A . 15 ASN HB3 1 1 3 1355 1 1 15 ASN HD21 H 11.001 4.691 8.112 1.00 . A A . 15 ASN HD21 1 1 3 1356 1 1 15 ASN HD22 H 11.000 6.377 8.488 1.00 . A A . 15 ASN HD22 1 1 3 1357 1 1 15 ASN N N 11.166 4.193 12.316 1.00 . A A . 15 ASN N 1 1 3 1358 1 1 15 ASN ND2 N 10.814 5.442 8.713 1.00 . A A . 15 ASN ND2 1 1 3 1359 1 1 15 ASN O O 11.465 1.450 11.930 1.00 . A A . 15 ASN O 1 1 3 1360 1 1 15 ASN OD1 O 10.008 6.057 10.717 1.00 . A A . 15 ASN OD1 1 1 3 1361 1 1 16 TYR C C 8.170 -0.985 11.589 1.00 . A A . 16 TYR C 1 1 3 1362 1 1 16 TYR CA C 9.319 -0.265 12.289 1.00 . A A . 16 TYR CA 1 1 3 1363 1 1 16 TYR CB C 9.299 -0.583 13.785 1.00 . A A . 16 TYR CB 1 1 3 1364 1 1 16 TYR CD1 C 7.111 -1.400 14.744 1.00 . A A . 16 TYR CD1 1 1 3 1365 1 1 16 TYR CD2 C 7.534 0.945 14.746 1.00 . A A . 16 TYR CD2 1 1 3 1366 1 1 16 TYR CE1 C 5.883 -1.184 15.340 1.00 . A A . 16 TYR CE1 1 1 3 1367 1 1 16 TYR CE2 C 6.308 1.171 15.343 1.00 . A A . 16 TYR CE2 1 1 3 1368 1 1 16 TYR CG C 7.956 -0.342 14.438 1.00 . A A . 16 TYR CG 1 1 3 1369 1 1 16 TYR CZ C 5.487 0.103 15.638 1.00 . A A . 16 TYR CZ 1 1 3 1370 1 1 16 TYR H H 8.357 1.605 12.055 1.00 . A A . 16 TYR H 1 1 3 1371 1 1 16 TYR HA H 10.253 -0.610 11.870 1.00 . A A . 16 TYR HA 1 1 3 1372 1 1 16 TYR HB2 H 9.554 -1.622 13.929 1.00 . A A . 16 TYR HB2 1 1 3 1373 1 1 16 TYR HB3 H 10.028 0.035 14.287 1.00 . A A . 16 TYR HB3 1 1 3 1374 1 1 16 TYR HD1 H 7.424 -2.408 14.510 1.00 . A A . 16 TYR HD1 1 1 3 1375 1 1 16 TYR HD2 H 8.180 1.780 14.514 1.00 . A A . 16 TYR HD2 1 1 3 1376 1 1 16 TYR HE1 H 5.239 -2.020 15.571 1.00 . A A . 16 TYR HE1 1 1 3 1377 1 1 16 TYR HE2 H 5.998 2.178 15.576 1.00 . A A . 16 TYR HE2 1 1 3 1378 1 1 16 TYR HH H 3.951 -0.492 16.630 1.00 . A A . 16 TYR HH 1 1 3 1379 1 1 16 TYR N N 9.237 1.175 12.077 1.00 . A A . 16 TYR N 1 1 3 1380 1 1 16 TYR O O 7.355 -0.362 10.907 1.00 . A A . 16 TYR O 1 1 3 1381 1 1 16 TYR OH O 4.265 0.323 16.231 1.00 . A A . 16 TYR OH 1 1 3 1382 1 1 17 CYS C C 5.830 -3.171 12.047 1.00 . A A . 17 CYS C 1 1 3 1383 1 1 17 CYS CA C 7.064 -3.108 11.150 1.00 . A A . 17 CYS CA 1 1 3 1384 1 1 17 CYS CB C 7.577 -4.522 10.871 1.00 . A A . 17 CYS CB 1 1 3 1385 1 1 17 CYS H H 8.790 -2.741 12.319 1.00 . A A . 17 CYS H 1 1 3 1386 1 1 17 CYS HA H 6.790 -2.643 10.215 1.00 . A A . 17 CYS HA 1 1 3 1387 1 1 17 CYS HB2 H 8.383 -4.745 11.556 1.00 . A A . 17 CYS HB2 1 1 3 1388 1 1 17 CYS HB3 H 6.774 -5.226 11.026 1.00 . A A . 17 CYS HB3 1 1 3 1389 1 1 17 CYS N N 8.111 -2.301 11.764 1.00 . A A . 17 CYS N 1 1 3 1390 1 1 17 CYS O O 5.941 -3.360 13.257 1.00 . A A . 17 CYS O 1 1 3 1391 1 1 17 CYS SG S 8.208 -4.763 9.179 1.00 . A A . 17 CYS SG 1 1 3 1392 1 1 18 GLU C C 2.289 -3.664 11.343 1.00 . A A . 18 GLU C 1 1 3 1393 1 1 18 GLU CA C 3.404 -3.050 12.186 1.00 . A A . 18 GLU CA 1 1 3 1394 1 1 18 GLU CB C 3.005 -1.641 12.630 1.00 . A A . 18 GLU CB 1 1 3 1395 1 1 18 GLU CD C 2.111 -2.839 14.666 1.00 . A A . 18 GLU CD 1 1 3 1396 1 1 18 GLU CG C 1.997 -1.623 13.766 1.00 . A A . 18 GLU CG 1 1 3 1397 1 1 18 GLU H H 4.634 -2.864 10.474 1.00 . A A . 18 GLU H 1 1 3 1398 1 1 18 GLU HA H 3.556 -3.663 13.061 1.00 . A A . 18 GLU HA 1 1 3 1399 1 1 18 GLU HB2 H 3.890 -1.114 12.953 1.00 . A A . 18 GLU HB2 1 1 3 1400 1 1 18 GLU HB3 H 2.574 -1.120 11.787 1.00 . A A . 18 GLU HB3 1 1 3 1401 1 1 18 GLU HG2 H 2.160 -0.738 14.362 1.00 . A A . 18 GLU HG2 1 1 3 1402 1 1 18 GLU HG3 H 1.001 -1.596 13.348 1.00 . A A . 18 GLU HG3 1 1 3 1403 1 1 18 GLU N N 4.657 -3.012 11.442 1.00 . A A . 18 GLU N 1 1 3 1404 1 1 18 GLU O O 1.726 -3.010 10.467 1.00 . A A . 18 GLU O 1 1 3 1405 1 1 18 GLU OE1 O 2.870 -2.774 15.656 1.00 . A A . 18 GLU OE1 1 1 3 1406 1 1 18 GLU OE2 O 1.442 -3.854 14.381 1.00 . A A . 18 GLU OE2 1 1 3 1407 1 1 19 GLY C C -0.428 -5.468 11.527 1.00 . A A . 19 GLY C 1 1 3 1408 1 1 19 GLY CA C 0.933 -5.610 10.875 1.00 . A A . 19 GLY CA 1 1 3 1409 1 1 19 GLY H H 2.461 -5.400 12.326 1.00 . A A . 19 GLY H 1 1 3 1410 1 1 19 GLY HA2 H 0.887 -5.200 9.877 1.00 . A A . 19 GLY HA2 1 1 3 1411 1 1 19 GLY HA3 H 1.180 -6.660 10.810 1.00 . A A . 19 GLY HA3 1 1 3 1412 1 1 19 GLY N N 1.977 -4.928 11.616 1.00 . A A . 19 GLY N 1 1 3 1413 1 1 19 GLY O O -1.387 -6.127 11.127 1.00 . A A . 19 GLY O 1 1 3 1414 1 1 20 ALA C C -2.018 -2.890 13.451 1.00 . A A . 20 ALA C 1 1 3 1415 1 1 20 ALA CA C -1.766 -4.380 13.243 1.00 . A A . 20 ALA CA 1 1 3 1416 1 1 20 ALA CB C -1.755 -5.106 14.580 1.00 . A A . 20 ALA CB 1 1 3 1417 1 1 20 ALA H H 0.287 -4.111 12.808 1.00 . A A . 20 ALA H 1 1 3 1418 1 1 20 ALA HA H -2.566 -4.790 12.645 1.00 . A A . 20 ALA HA 1 1 3 1419 1 1 20 ALA HB1 H -0.960 -4.712 15.197 1.00 . A A . 20 ALA HB1 1 1 3 1420 1 1 20 ALA HB2 H -2.703 -4.960 15.077 1.00 . A A . 20 ALA HB2 1 1 3 1421 1 1 20 ALA HB3 H -1.594 -6.161 14.415 1.00 . A A . 20 ALA HB3 1 1 3 1422 1 1 20 ALA N N -0.512 -4.607 12.535 1.00 . A A . 20 ALA N 1 1 3 1423 1 1 20 ALA O O -2.860 -2.294 12.779 1.00 . A A . 20 ALA O 1 1 3 1424 1 1 21 ARG C C -0.201 -0.344 15.414 1.00 . A A . 21 ARG C 1 1 3 1425 1 1 21 ARG CA C -1.429 -0.875 14.681 1.00 . A A . 21 ARG CA 1 1 3 1426 1 1 21 ARG CB C -2.683 -0.634 15.523 1.00 . A A . 21 ARG CB 1 1 3 1427 1 1 21 ARG CD C -3.850 1.591 15.601 1.00 . A A . 21 ARG CD 1 1 3 1428 1 1 21 ARG CG C -3.701 0.275 14.853 1.00 . A A . 21 ARG CG 1 1 3 1429 1 1 21 ARG CZ C -4.999 2.397 17.619 1.00 . A A . 21 ARG CZ 1 1 3 1430 1 1 21 ARG H H -0.628 -2.823 14.886 1.00 . A A . 21 ARG H 1 1 3 1431 1 1 21 ARG HA H -1.529 -0.349 13.743 1.00 . A A . 21 ARG HA 1 1 3 1432 1 1 21 ARG HB2 H -3.157 -1.584 15.721 1.00 . A A . 21 ARG HB2 1 1 3 1433 1 1 21 ARG HB3 H -2.392 -0.183 16.459 1.00 . A A . 21 ARG HB3 1 1 3 1434 1 1 21 ARG HD2 H -2.909 1.830 16.073 1.00 . A A . 21 ARG HD2 1 1 3 1435 1 1 21 ARG HD3 H -4.104 2.365 14.892 1.00 . A A . 21 ARG HD3 1 1 3 1436 1 1 21 ARG HE H -5.538 0.792 16.565 1.00 . A A . 21 ARG HE 1 1 3 1437 1 1 21 ARG HG2 H -3.376 0.482 13.844 1.00 . A A . 21 ARG HG2 1 1 3 1438 1 1 21 ARG HG3 H -4.657 -0.227 14.830 1.00 . A A . 21 ARG HG3 1 1 3 1439 1 1 21 ARG HH11 H -3.402 3.497 17.053 1.00 . A A . 21 ARG HH11 1 1 3 1440 1 1 21 ARG HH12 H -4.221 4.055 18.474 1.00 . A A . 21 ARG HH12 1 1 3 1441 1 1 21 ARG HH21 H -6.625 1.516 18.435 1.00 . A A . 21 ARG HH21 1 1 3 1442 1 1 21 ARG HH22 H -6.054 2.927 19.260 1.00 . A A . 21 ARG HH22 1 1 3 1443 1 1 21 ARG N N -1.283 -2.295 14.384 1.00 . A A . 21 ARG N 1 1 3 1444 1 1 21 ARG NE N -4.890 1.524 16.624 1.00 . A A . 21 ARG NE 1 1 3 1445 1 1 21 ARG NH1 N -4.136 3.398 17.724 1.00 . A A . 21 ARG NH1 1 1 3 1446 1 1 21 ARG NH2 N -5.973 2.270 18.511 1.00 . A A . 21 ARG NH2 1 1 3 1447 1 1 21 ARG O O 0.381 -1.033 16.253 1.00 . A A . 21 ARG O 1 1 3 1448 1 1 22 CYS C C 1.148 1.635 17.227 1.00 . A A . 22 CYS C 1 1 3 1449 1 1 22 CYS CA C 1.348 1.509 15.720 1.00 . A A . 22 CYS CA 1 1 3 1450 1 1 22 CYS CB C 1.602 2.890 15.111 1.00 . A A . 22 CYS CB 1 1 3 1451 1 1 22 CYS H H -0.315 1.385 14.416 1.00 . A A . 22 CYS H 1 1 3 1452 1 1 22 CYS HA H 2.205 0.880 15.534 1.00 . A A . 22 CYS HA 1 1 3 1453 1 1 22 CYS HB2 H 0.822 3.565 15.431 1.00 . A A . 22 CYS HB2 1 1 3 1454 1 1 22 CYS HB3 H 2.555 3.258 15.458 1.00 . A A . 22 CYS HB3 1 1 3 1455 1 1 22 CYS N N 0.189 0.885 15.093 1.00 . A A . 22 CYS N 1 1 3 1456 1 1 22 CYS O O 0.038 1.879 17.698 1.00 . A A . 22 CYS O 1 1 3 1457 1 1 22 CYS SG S 1.631 2.905 13.289 1.00 . A A . 22 CYS SG 1 1 3 1458 1 1 23 GLU C C 1.947 3.005 19.875 1.00 . A A . 23 GLU C 1 1 3 1459 1 1 23 GLU CA C 2.176 1.562 19.432 1.00 . A A . 23 GLU CA 1 1 3 1460 1 1 23 GLU CB C 3.469 1.027 20.051 1.00 . A A . 23 GLU CB 1 1 3 1461 1 1 23 GLU CD C 4.012 -1.361 20.670 1.00 . A A . 23 GLU CD 1 1 3 1462 1 1 23 GLU CG C 3.859 -0.353 19.548 1.00 . A A . 23 GLU CG 1 1 3 1463 1 1 23 GLU H H 3.090 1.276 17.544 1.00 . A A . 23 GLU H 1 1 3 1464 1 1 23 GLU HA H 1.349 0.958 19.772 1.00 . A A . 23 GLU HA 1 1 3 1465 1 1 23 GLU HB2 H 4.273 1.711 19.824 1.00 . A A . 23 GLU HB2 1 1 3 1466 1 1 23 GLU HB3 H 3.346 0.974 21.123 1.00 . A A . 23 GLU HB3 1 1 3 1467 1 1 23 GLU HG2 H 3.095 -0.704 18.871 1.00 . A A . 23 GLU HG2 1 1 3 1468 1 1 23 GLU HG3 H 4.798 -0.278 19.021 1.00 . A A . 23 GLU HG3 1 1 3 1469 1 1 23 GLU N N 2.233 1.468 17.978 1.00 . A A . 23 GLU N 1 1 3 1470 1 1 23 GLU O O 2.114 3.940 19.092 1.00 . A A . 23 GLU O 1 1 3 1471 1 1 23 GLU OE1 O 3.276 -2.371 20.663 1.00 . A A . 23 GLU OE1 1 1 3 1472 1 1 23 GLU OE2 O 4.865 -1.141 21.554 1.00 . A A . 23 GLU OE2 1 1 3 1473 1 1 24 SER C C 2.537 5.393 21.551 1.00 . A A . 24 SER C 1 1 3 1474 1 1 24 SER CA C 1.305 4.503 21.682 1.00 . A A . 24 SER CA 1 1 3 1475 1 1 24 SER CB C 0.889 4.401 23.151 1.00 . A A . 24 SER CB 1 1 3 1476 1 1 24 SER H H 1.445 2.391 21.711 1.00 . A A . 24 SER H 1 1 3 1477 1 1 24 SER HA H 0.496 4.943 21.118 1.00 . A A . 24 SER HA 1 1 3 1478 1 1 24 SER HB2 H 1.119 3.413 23.520 1.00 . A A . 24 SER HB2 1 1 3 1479 1 1 24 SER HB3 H 1.433 5.136 23.728 1.00 . A A . 24 SER HB3 1 1 3 1480 1 1 24 SER HG H -0.728 5.480 22.911 1.00 . A A . 24 SER HG 1 1 3 1481 1 1 24 SER N N 1.562 3.176 21.136 1.00 . A A . 24 SER N 1 1 3 1482 1 1 24 SER O O 3.371 5.455 22.454 1.00 . A A . 24 SER O 1 1 3 1483 1 1 24 SER OG O -0.500 4.635 23.306 1.00 . A A . 24 SER OG 1 1 3 1484 1 1 25 GLY C C 4.182 7.012 18.729 1.00 . A A . 25 GLY C 1 1 3 1485 1 1 25 GLY CA C 3.777 6.959 20.189 1.00 . A A . 25 GLY CA 1 1 3 1486 1 1 25 GLY H H 1.949 5.993 19.734 1.00 . A A . 25 GLY H 1 1 3 1487 1 1 25 GLY HA2 H 3.520 7.955 20.517 1.00 . A A . 25 GLY HA2 1 1 3 1488 1 1 25 GLY HA3 H 4.616 6.605 20.770 1.00 . A A . 25 GLY HA3 1 1 3 1489 1 1 25 GLY N N 2.645 6.081 20.419 1.00 . A A . 25 GLY N 1 1 3 1490 1 1 25 GLY O O 4.693 8.027 18.256 1.00 . A A . 25 GLY O 1 1 3 1491 1 1 26 PHE C C 3.094 6.161 15.724 1.00 . A A . 26 PHE C 1 1 3 1492 1 1 26 PHE CA C 4.303 5.841 16.599 1.00 . A A . 26 PHE CA 1 1 3 1493 1 1 26 PHE CB C 4.840 4.449 16.257 1.00 . A A . 26 PHE CB 1 1 3 1494 1 1 26 PHE CD1 C 6.147 3.878 18.322 1.00 . A A . 26 PHE CD1 1 1 3 1495 1 1 26 PHE CD2 C 7.315 4.037 16.249 1.00 . A A . 26 PHE CD2 1 1 3 1496 1 1 26 PHE CE1 C 7.329 3.569 18.969 1.00 . A A . 26 PHE CE1 1 1 3 1497 1 1 26 PHE CE2 C 8.500 3.728 16.891 1.00 . A A . 26 PHE CE2 1 1 3 1498 1 1 26 PHE CG C 6.126 4.114 16.957 1.00 . A A . 26 PHE CG 1 1 3 1499 1 1 26 PHE CZ C 8.507 3.496 18.252 1.00 . A A . 26 PHE CZ 1 1 3 1500 1 1 26 PHE H H 3.545 5.138 18.447 1.00 . A A . 26 PHE H 1 1 3 1501 1 1 26 PHE HA H 5.074 6.571 16.409 1.00 . A A . 26 PHE HA 1 1 3 1502 1 1 26 PHE HB2 H 4.107 3.709 16.540 1.00 . A A . 26 PHE HB2 1 1 3 1503 1 1 26 PHE HB3 H 5.014 4.390 15.193 1.00 . A A . 26 PHE HB3 1 1 3 1504 1 1 26 PHE HD1 H 5.225 3.936 18.884 1.00 . A A . 26 PHE HD1 1 1 3 1505 1 1 26 PHE HD2 H 7.312 4.220 15.185 1.00 . A A . 26 PHE HD2 1 1 3 1506 1 1 26 PHE HE1 H 7.330 3.388 20.033 1.00 . A A . 26 PHE HE1 1 1 3 1507 1 1 26 PHE HE2 H 9.420 3.671 16.328 1.00 . A A . 26 PHE HE2 1 1 3 1508 1 1 26 PHE HZ H 9.431 3.254 18.755 1.00 . A A . 26 PHE HZ 1 1 3 1509 1 1 26 PHE N N 3.956 5.916 18.013 1.00 . A A . 26 PHE N 1 1 3 1510 1 1 26 PHE O O 1.964 6.230 16.209 1.00 . A A . 26 PHE O 1 1 3 1511 1 1 27 HIS C C 2.343 5.756 12.268 1.00 . A A . 27 HIS C 1 1 3 1512 1 1 27 HIS CA C 2.274 6.668 13.489 1.00 . A A . 27 HIS CA 1 1 3 1513 1 1 27 HIS CB C 2.362 8.131 13.053 1.00 . A A . 27 HIS CB 1 1 3 1514 1 1 27 HIS CD2 C 4.592 8.486 11.776 1.00 . A A . 27 HIS CD2 1 1 3 1515 1 1 27 HIS CE1 C 5.678 9.590 13.328 1.00 . A A . 27 HIS CE1 1 1 3 1516 1 1 27 HIS CG C 3.766 8.609 12.842 1.00 . A A . 27 HIS CG 1 1 3 1517 1 1 27 HIS H H 4.262 6.286 14.107 1.00 . A A . 27 HIS H 1 1 3 1518 1 1 27 HIS HA H 1.331 6.508 13.990 1.00 . A A . 27 HIS HA 1 1 3 1519 1 1 27 HIS HB2 H 1.827 8.256 12.124 1.00 . A A . 27 HIS HB2 1 1 3 1520 1 1 27 HIS HB3 H 1.909 8.754 13.811 1.00 . A A . 27 HIS HB3 1 1 3 1521 1 1 27 HIS HD1 H 4.148 9.552 14.686 1.00 . A A . 27 HIS HD1 1 1 3 1522 1 1 27 HIS HD2 H 4.364 7.994 10.841 1.00 . A A . 27 HIS HD2 1 1 3 1523 1 1 27 HIS HE1 H 6.451 10.129 13.856 1.00 . A A . 27 HIS HE1 1 1 3 1524 1 1 27 HIS N N 3.341 6.355 14.433 1.00 . A A . 27 HIS N 1 1 3 1525 1 1 27 HIS ND1 N 4.476 9.304 13.797 1.00 . A A . 27 HIS ND1 1 1 3 1526 1 1 27 HIS NE2 N 5.774 9.104 12.104 1.00 . A A . 27 HIS NE2 1 1 3 1527 1 1 27 HIS O O 3.425 5.466 11.759 1.00 . A A . 27 HIS O 1 1 3 1528 1 1 28 ASP C C 1.588 5.147 9.387 1.00 . A A . 28 ASP C 1 1 3 1529 1 1 28 ASP CA C 1.110 4.427 10.644 1.00 . A A . 28 ASP CA 1 1 3 1530 1 1 28 ASP CB C -0.320 3.923 10.446 1.00 . A A . 28 ASP CB 1 1 3 1531 1 1 28 ASP CG C -0.553 3.374 9.053 1.00 . A A . 28 ASP CG 1 1 3 1532 1 1 28 ASP H H 0.352 5.573 12.255 1.00 . A A . 28 ASP H 1 1 3 1533 1 1 28 ASP HA H 1.757 3.582 10.828 1.00 . A A . 28 ASP HA 1 1 3 1534 1 1 28 ASP HB2 H -0.521 3.138 11.161 1.00 . A A . 28 ASP HB2 1 1 3 1535 1 1 28 ASP HB3 H -1.008 4.739 10.612 1.00 . A A . 28 ASP HB3 1 1 3 1536 1 1 28 ASP N N 1.182 5.307 11.805 1.00 . A A . 28 ASP N 1 1 3 1537 1 1 28 ASP O O 0.952 6.093 8.921 1.00 . A A . 28 ASP O 1 1 3 1538 1 1 28 ASP OD1 O -1.588 3.718 8.444 1.00 . A A . 28 ASP OD1 1 1 3 1539 1 1 28 ASP OD2 O 0.300 2.601 8.570 1.00 . A A . 28 ASP OD2 1 1 3 1540 1 1 29 CYS C C 3.376 4.269 6.515 1.00 . A A . 29 CYS C 1 1 3 1541 1 1 29 CYS CA C 3.277 5.294 7.641 1.00 . A A . 29 CYS CA 1 1 3 1542 1 1 29 CYS CB C 4.660 5.876 7.938 1.00 . A A . 29 CYS CB 1 1 3 1543 1 1 29 CYS H H 3.174 3.935 9.260 1.00 . A A . 29 CYS H 1 1 3 1544 1 1 29 CYS HA H 2.620 6.092 7.328 1.00 . A A . 29 CYS HA 1 1 3 1545 1 1 29 CYS HB2 H 5.165 6.080 7.004 1.00 . A A . 29 CYS HB2 1 1 3 1546 1 1 29 CYS HB3 H 4.544 6.799 8.487 1.00 . A A . 29 CYS HB3 1 1 3 1547 1 1 29 CYS N N 2.712 4.693 8.843 1.00 . A A . 29 CYS N 1 1 3 1548 1 1 29 CYS O O 4.220 4.384 5.628 1.00 . A A . 29 CYS O 1 1 3 1549 1 1 29 CYS SG S 5.734 4.778 8.917 1.00 . A A . 29 CYS SG 1 1 3 1550 1 1 30 GLY C C 2.362 2.801 4.139 1.00 . A A . 30 GLY C 1 1 3 1551 1 1 30 GLY CA C 2.510 2.234 5.537 1.00 . A A . 30 GLY CA 1 1 3 1552 1 1 30 GLY H H 1.854 3.224 7.290 1.00 . A A . 30 GLY H 1 1 3 1553 1 1 30 GLY HA2 H 3.440 1.688 5.596 1.00 . A A . 30 GLY HA2 1 1 3 1554 1 1 30 GLY HA3 H 1.693 1.553 5.725 1.00 . A A . 30 GLY HA3 1 1 3 1555 1 1 30 GLY N N 2.505 3.265 6.558 1.00 . A A . 30 GLY N 1 1 3 1556 1 1 30 GLY O O 2.543 2.090 3.151 1.00 . A A . 30 GLY O 1 1 3 1557 1 1 31 SER C C 2.967 4.359 1.800 1.00 . A A . 31 SER C 1 1 3 1558 1 1 31 SER CA C 1.854 4.747 2.768 1.00 . A A . 31 SER CA 1 1 3 1559 1 1 31 SER CB C 1.827 6.266 2.951 1.00 . A A . 31 SER CB 1 1 3 1560 1 1 31 SER H H 1.901 4.600 4.880 1.00 . A A . 31 SER H 1 1 3 1561 1 1 31 SER HA H 0.908 4.426 2.358 1.00 . A A . 31 SER HA 1 1 3 1562 1 1 31 SER HB2 H 2.217 6.516 3.926 1.00 . A A . 31 SER HB2 1 1 3 1563 1 1 31 SER HB3 H 2.439 6.728 2.189 1.00 . A A . 31 SER HB3 1 1 3 1564 1 1 31 SER HG H 0.486 7.480 2.199 1.00 . A A . 31 SER HG 1 1 3 1565 1 1 31 SER N N 2.031 4.086 4.056 1.00 . A A . 31 SER N 1 1 3 1566 1 1 31 SER O O 2.750 3.590 0.863 1.00 . A A . 31 SER O 1 1 3 1567 1 1 31 SER OG O 0.507 6.769 2.844 1.00 . A A . 31 SER OG 1 1 3 1568 1 1 32 ASP C C 6.307 3.711 1.907 1.00 . A A . 32 ASP C 1 1 3 1569 1 1 32 ASP CA C 5.308 4.607 1.183 1.00 . A A . 32 ASP CA 1 1 3 1570 1 1 32 ASP CB C 5.989 5.907 0.750 1.00 . A A . 32 ASP CB 1 1 3 1571 1 1 32 ASP CG C 5.927 6.978 1.821 1.00 . A A . 32 ASP CG 1 1 3 1572 1 1 32 ASP H H 4.269 5.503 2.796 1.00 . A A . 32 ASP H 1 1 3 1573 1 1 32 ASP HA H 4.949 4.090 0.306 1.00 . A A . 32 ASP HA 1 1 3 1574 1 1 32 ASP HB2 H 7.027 5.705 0.529 1.00 . A A . 32 ASP HB2 1 1 3 1575 1 1 32 ASP HB3 H 5.503 6.282 -0.138 1.00 . A A . 32 ASP HB3 1 1 3 1576 1 1 32 ASP N N 4.159 4.897 2.033 1.00 . A A . 32 ASP N 1 1 3 1577 1 1 32 ASP O O 7.515 3.802 1.682 1.00 . A A . 32 ASP O 1 1 3 1578 1 1 32 ASP OD1 O 6.076 6.635 3.013 1.00 . A A . 32 ASP OD1 1 1 3 1579 1 1 32 ASP OD2 O 5.730 8.159 1.468 1.00 . A A . 32 ASP OD2 1 1 3 1580 1 1 33 HIS C C 5.916 0.622 3.817 1.00 . A A . 33 HIS C 1 1 3 1581 1 1 33 HIS CA C 6.645 1.932 3.535 1.00 . A A . 33 HIS CA 1 1 3 1582 1 1 33 HIS CB C 7.081 2.580 4.849 1.00 . A A . 33 HIS CB 1 1 3 1583 1 1 33 HIS CD2 C 8.725 4.362 3.927 1.00 . A A . 33 HIS CD2 1 1 3 1584 1 1 33 HIS CE1 C 7.921 6.112 4.975 1.00 . A A . 33 HIS CE1 1 1 3 1585 1 1 33 HIS CG C 7.678 3.943 4.677 1.00 . A A . 33 HIS CG 1 1 3 1586 1 1 33 HIS H H 4.826 2.821 2.912 1.00 . A A . 33 HIS H 1 1 3 1587 1 1 33 HIS HA H 7.520 1.722 2.940 1.00 . A A . 33 HIS HA 1 1 3 1588 1 1 33 HIS HB2 H 6.223 2.675 5.498 1.00 . A A . 33 HIS HB2 1 1 3 1589 1 1 33 HIS HB3 H 7.819 1.951 5.326 1.00 . A A . 33 HIS HB3 1 1 3 1590 1 1 33 HIS HD1 H 6.438 5.085 5.939 1.00 . A A . 33 HIS HD1 1 1 3 1591 1 1 33 HIS HD2 H 9.344 3.747 3.288 1.00 . A A . 33 HIS HD2 1 1 3 1592 1 1 33 HIS HE1 H 7.775 7.124 5.323 1.00 . A A . 33 HIS HE1 1 1 3 1593 1 1 33 HIS N N 5.796 2.846 2.777 1.00 . A A . 33 HIS N 1 1 3 1594 1 1 33 HIS ND1 N 7.197 5.063 5.321 1.00 . A A . 33 HIS ND1 1 1 3 1595 1 1 33 HIS NE2 N 8.855 5.714 4.130 1.00 . A A . 33 HIS NE2 1 1 3 1596 1 1 33 HIS O O 4.865 0.611 4.457 1.00 . A A . 33 HIS O 1 1 3 1597 1 1 34 TRP C C 6.820 -2.703 4.324 1.00 . A A . 34 TRP C 1 1 3 1598 1 1 34 TRP CA C 5.884 -1.795 3.535 1.00 . A A . 34 TRP CA 1 1 3 1599 1 1 34 TRP CB C 5.549 -2.435 2.187 1.00 . A A . 34 TRP CB 1 1 3 1600 1 1 34 TRP CD1 C 6.164 -1.345 -0.050 1.00 . A A . 34 TRP CD1 1 1 3 1601 1 1 34 TRP CD2 C 7.891 -2.287 1.021 1.00 . A A . 34 TRP CD2 1 1 3 1602 1 1 34 TRP CE2 C 8.360 -1.728 -0.184 1.00 . A A . 34 TRP CE2 1 1 3 1603 1 1 34 TRP CE3 C 8.800 -2.932 1.863 1.00 . A A . 34 TRP CE3 1 1 3 1604 1 1 34 TRP CG C 6.484 -2.030 1.087 1.00 . A A . 34 TRP CG 1 1 3 1605 1 1 34 TRP CH2 C 10.565 -2.436 0.278 1.00 . A A . 34 TRP CH2 1 1 3 1606 1 1 34 TRP CZ2 C 9.697 -1.798 -0.566 1.00 . A A . 34 TRP CZ2 1 1 3 1607 1 1 34 TRP CZ3 C 10.127 -3.001 1.483 1.00 . A A . 34 TRP CZ3 1 1 3 1608 1 1 34 TRP H H 7.320 -0.406 2.832 1.00 . A A . 34 TRP H 1 1 3 1609 1 1 34 TRP HA H 4.971 -1.662 4.097 1.00 . A A . 34 TRP HA 1 1 3 1610 1 1 34 TRP HB2 H 5.594 -3.509 2.284 1.00 . A A . 34 TRP HB2 1 1 3 1611 1 1 34 TRP HB3 H 4.549 -2.146 1.898 1.00 . A A . 34 TRP HB3 1 1 3 1612 1 1 34 TRP HD1 H 5.169 -1.006 -0.296 1.00 . A A . 34 TRP HD1 1 1 3 1613 1 1 34 TRP HE1 H 7.315 -0.696 -1.682 1.00 . A A . 34 TRP HE1 1 1 3 1614 1 1 34 TRP HE3 H 8.481 -3.374 2.796 1.00 . A A . 34 TRP HE3 1 1 3 1615 1 1 34 TRP HH2 H 11.611 -2.514 0.021 1.00 . A A . 34 TRP HH2 1 1 3 1616 1 1 34 TRP HZ2 H 10.051 -1.367 -1.491 1.00 . A A . 34 TRP HZ2 1 1 3 1617 1 1 34 TRP HZ3 H 10.844 -3.496 2.121 1.00 . A A . 34 TRP HZ3 1 1 3 1618 1 1 34 TRP N N 6.481 -0.479 3.335 1.00 . A A . 34 TRP N 1 1 3 1619 1 1 34 TRP NE1 N 7.287 -1.161 -0.819 1.00 . A A . 34 TRP NE1 1 1 3 1620 1 1 34 TRP O O 7.985 -2.370 4.544 1.00 . A A . 34 TRP O 1 1 3 1621 1 1 35 CYS C C 7.462 -6.018 4.659 1.00 . A A . 35 CYS C 1 1 3 1622 1 1 35 CYS CA C 7.094 -4.809 5.514 1.00 . A A . 35 CYS CA 1 1 3 1623 1 1 35 CYS CB C 6.322 -5.263 6.754 1.00 . A A . 35 CYS CB 1 1 3 1624 1 1 35 CYS H H 5.369 -4.062 4.541 1.00 . A A . 35 CYS H 1 1 3 1625 1 1 35 CYS HA H 8.002 -4.315 5.826 1.00 . A A . 35 CYS HA 1 1 3 1626 1 1 35 CYS HB2 H 5.275 -5.350 6.504 1.00 . A A . 35 CYS HB2 1 1 3 1627 1 1 35 CYS HB3 H 6.694 -6.227 7.067 1.00 . A A . 35 CYS HB3 1 1 3 1628 1 1 35 CYS N N 6.305 -3.852 4.748 1.00 . A A . 35 CYS N 1 1 3 1629 1 1 35 CYS O O 7.127 -6.080 3.476 1.00 . A A . 35 CYS O 1 1 3 1630 1 1 35 CYS SG S 6.459 -4.128 8.172 1.00 . A A . 35 CYS SG 1 1 3 1631 1 1 36 ASP C C 7.420 -8.742 3.721 1.00 . A A . 36 ASP C 1 1 3 1632 1 1 36 ASP CA C 8.565 -8.185 4.562 1.00 . A A . 36 ASP CA 1 1 3 1633 1 1 36 ASP CB C 9.044 -9.243 5.557 1.00 . A A . 36 ASP CB 1 1 3 1634 1 1 36 ASP CG C 10.531 -9.146 5.834 1.00 . A A . 36 ASP CG 1 1 3 1635 1 1 36 ASP H H 8.390 -6.869 6.211 1.00 . A A . 36 ASP H 1 1 3 1636 1 1 36 ASP HA H 9.382 -7.925 3.906 1.00 . A A . 36 ASP HA 1 1 3 1637 1 1 36 ASP HB2 H 8.515 -9.116 6.491 1.00 . A A . 36 ASP HB2 1 1 3 1638 1 1 36 ASP HB3 H 8.833 -10.224 5.159 1.00 . A A . 36 ASP HB3 1 1 3 1639 1 1 36 ASP N N 8.152 -6.977 5.266 1.00 . A A . 36 ASP N 1 1 3 1640 1 1 36 ASP O O 7.614 -9.131 2.570 1.00 . A A . 36 ASP O 1 1 3 1641 1 1 36 ASP OD1 O 10.902 -8.697 6.939 1.00 . A A . 36 ASP OD1 1 1 3 1642 1 1 36 ASP OD2 O 11.325 -9.519 4.945 1.00 . A A . 36 ASP OD2 1 1 3 1643 1 1 37 ALA C C 4.216 -8.145 3.037 1.00 . A A . 37 ALA C 1 1 3 1644 1 1 37 ALA CA C 5.051 -9.285 3.610 1.00 . A A . 37 ALA CA 1 1 3 1645 1 1 37 ALA CB C 4.209 -10.137 4.549 1.00 . A A . 37 ALA CB 1 1 3 1646 1 1 37 ALA H H 6.135 -8.453 5.225 1.00 . A A . 37 ALA H 1 1 3 1647 1 1 37 ALA HA H 5.388 -9.914 2.799 1.00 . A A . 37 ALA HA 1 1 3 1648 1 1 37 ALA HB1 H 3.842 -9.523 5.359 1.00 . A A . 37 ALA HB1 1 1 3 1649 1 1 37 ALA HB2 H 3.374 -10.554 4.006 1.00 . A A . 37 ALA HB2 1 1 3 1650 1 1 37 ALA HB3 H 4.814 -10.936 4.950 1.00 . A A . 37 ALA HB3 1 1 3 1651 1 1 37 ALA N N 6.227 -8.777 4.306 1.00 . A A . 37 ALA N 1 1 3 1652 1 1 37 ALA O O 4.105 -7.079 3.643 1.00 . A A . 37 ALA O 1 1 3 1653 1 1 38 SER C C 1.486 -7.182 1.940 1.00 . A A . 38 SER C 1 1 3 1654 1 1 38 SER CA C 2.812 -7.365 1.208 1.00 . A A . 38 SER CA 1 1 3 1655 1 1 38 SER CB C 2.554 -7.756 -0.249 1.00 . A A . 38 SER CB 1 1 3 1656 1 1 38 SER H H 3.760 -9.245 1.431 1.00 . A A . 38 SER H 1 1 3 1657 1 1 38 SER HA H 3.355 -6.432 1.230 1.00 . A A . 38 SER HA 1 1 3 1658 1 1 38 SER HB2 H 2.175 -6.900 -0.786 1.00 . A A . 38 SER HB2 1 1 3 1659 1 1 38 SER HB3 H 3.480 -8.083 -0.700 1.00 . A A . 38 SER HB3 1 1 3 1660 1 1 38 SER HG H 1.884 -9.433 -1.006 1.00 . A A . 38 SER HG 1 1 3 1661 1 1 38 SER N N 3.633 -8.375 1.865 1.00 . A A . 38 SER N 1 1 3 1662 1 1 38 SER O O 0.426 -7.114 1.319 1.00 . A A . 38 SER O 1 1 3 1663 1 1 38 SER OG O 1.607 -8.806 -0.335 1.00 . A A . 38 SER OG 1 1 3 1664 1 1 39 GLY C C 0.614 -6.159 5.341 1.00 . A A . 39 GLY C 1 1 3 1665 1 1 39 GLY CA C 0.354 -6.927 4.061 1.00 . A A . 39 GLY CA 1 1 3 1666 1 1 39 GLY H H 2.428 -7.162 3.706 1.00 . A A . 39 GLY H 1 1 3 1667 1 1 39 GLY HA2 H -0.379 -6.394 3.475 1.00 . A A . 39 GLY HA2 1 1 3 1668 1 1 39 GLY HA3 H -0.041 -7.901 4.314 1.00 . A A . 39 GLY HA3 1 1 3 1669 1 1 39 GLY N N 1.555 -7.102 3.265 1.00 . A A . 39 GLY N 1 1 3 1670 1 1 39 GLY O O -0.309 -5.603 5.938 1.00 . A A . 39 GLY O 1 1 3 1671 1 1 40 ASP C C 2.669 -3.987 6.674 1.00 . A A . 40 ASP C 1 1 3 1672 1 1 40 ASP CA C 2.251 -5.421 6.984 1.00 . A A . 40 ASP CA 1 1 3 1673 1 1 40 ASP CB C 3.390 -6.156 7.692 1.00 . A A . 40 ASP CB 1 1 3 1674 1 1 40 ASP CG C 2.888 -7.169 8.701 1.00 . A A . 40 ASP CG 1 1 3 1675 1 1 40 ASP H H 2.564 -6.589 5.246 1.00 . A A . 40 ASP H 1 1 3 1676 1 1 40 ASP HA H 1.390 -5.398 7.635 1.00 . A A . 40 ASP HA 1 1 3 1677 1 1 40 ASP HB2 H 3.987 -6.674 6.956 1.00 . A A . 40 ASP HB2 1 1 3 1678 1 1 40 ASP HB3 H 4.008 -5.436 8.208 1.00 . A A . 40 ASP HB3 1 1 3 1679 1 1 40 ASP N N 1.872 -6.127 5.766 1.00 . A A . 40 ASP N 1 1 3 1680 1 1 40 ASP O O 3.498 -3.748 5.796 1.00 . A A . 40 ASP O 1 1 3 1681 1 1 40 ASP OD1 O 3.383 -7.161 9.847 1.00 . A A . 40 ASP OD1 1 1 3 1682 1 1 40 ASP OD2 O 1.998 -7.969 8.345 1.00 . A A . 40 ASP OD2 1 1 3 1683 1 1 41 ARG C C 3.479 -1.164 8.174 1.00 . A A . 41 ARG C 1 1 3 1684 1 1 41 ARG CA C 2.399 -1.626 7.200 1.00 . A A . 41 ARG CA 1 1 3 1685 1 1 41 ARG CB C 1.140 -0.775 7.376 1.00 . A A . 41 ARG CB 1 1 3 1686 1 1 41 ARG CD C -1.068 -0.517 8.549 1.00 . A A . 41 ARG CD 1 1 3 1687 1 1 41 ARG CG C 0.023 -1.487 8.121 1.00 . A A . 41 ARG CG 1 1 3 1688 1 1 41 ARG CZ C -2.486 -0.127 6.580 1.00 . A A . 41 ARG CZ 1 1 3 1689 1 1 41 ARG H H 1.435 -3.290 8.085 1.00 . A A . 41 ARG H 1 1 3 1690 1 1 41 ARG HA H 2.765 -1.506 6.191 1.00 . A A . 41 ARG HA 1 1 3 1691 1 1 41 ARG HB2 H 1.397 0.118 7.926 1.00 . A A . 41 ARG HB2 1 1 3 1692 1 1 41 ARG HB3 H 0.771 -0.494 6.401 1.00 . A A . 41 ARG HB3 1 1 3 1693 1 1 41 ARG HD2 H -1.292 -0.687 9.592 1.00 . A A . 41 ARG HD2 1 1 3 1694 1 1 41 ARG HD3 H -0.705 0.491 8.419 1.00 . A A . 41 ARG HD3 1 1 3 1695 1 1 41 ARG HE H -2.997 -1.248 8.148 1.00 . A A . 41 ARG HE 1 1 3 1696 1 1 41 ARG HG2 H -0.410 -2.235 7.473 1.00 . A A . 41 ARG HG2 1 1 3 1697 1 1 41 ARG HG3 H 0.435 -1.963 8.999 1.00 . A A . 41 ARG HG3 1 1 3 1698 1 1 41 ARG HH11 H -0.686 0.790 6.527 1.00 . A A . 41 ARG HH11 1 1 3 1699 1 1 41 ARG HH12 H -1.696 1.057 5.144 1.00 . A A . 41 ARG HH12 1 1 3 1700 1 1 41 ARG HH21 H -4.335 -0.904 6.333 1.00 . A A . 41 ARG HH21 1 1 3 1701 1 1 41 ARG HH22 H -3.771 0.094 5.035 1.00 . A A . 41 ARG HH22 1 1 3 1702 1 1 41 ARG N N 2.089 -3.037 7.399 1.00 . A A . 41 ARG N 1 1 3 1703 1 1 41 ARG NE N -2.289 -0.688 7.767 1.00 . A A . 41 ARG NE 1 1 3 1704 1 1 41 ARG NH1 N -1.546 0.637 6.040 1.00 . A A . 41 ARG NH1 1 1 3 1705 1 1 41 ARG NH2 N -3.624 -0.329 5.929 1.00 . A A . 41 ARG NH2 1 1 3 1706 1 1 41 ARG O O 3.400 -1.425 9.375 1.00 . A A . 41 ARG O 1 1 3 1707 1 1 42 CYS C C 5.185 1.307 9.188 1.00 . A A . 42 CYS C 1 1 3 1708 1 1 42 CYS CA C 5.584 0.021 8.469 1.00 . A A . 42 CYS CA 1 1 3 1709 1 1 42 CYS CB C 6.823 0.270 7.607 1.00 . A A . 42 CYS CB 1 1 3 1710 1 1 42 CYS H H 4.495 -0.300 6.683 1.00 . A A . 42 CYS H 1 1 3 1711 1 1 42 CYS HA H 5.815 -0.732 9.207 1.00 . A A . 42 CYS HA 1 1 3 1712 1 1 42 CYS HB2 H 6.509 0.516 6.602 1.00 . A A . 42 CYS HB2 1 1 3 1713 1 1 42 CYS HB3 H 7.378 1.100 8.018 1.00 . A A . 42 CYS HB3 1 1 3 1714 1 1 42 CYS N N 4.487 -0.477 7.648 1.00 . A A . 42 CYS N 1 1 3 1715 1 1 42 CYS O O 4.678 2.245 8.571 1.00 . A A . 42 CYS O 1 1 3 1716 1 1 42 CYS SG S 7.952 -1.156 7.499 1.00 . A A . 42 CYS SG 1 1 3 1717 1 1 43 CYS C C 6.298 3.422 11.469 1.00 . A A . 43 CYS C 1 1 3 1718 1 1 43 CYS CA C 5.084 2.513 11.300 1.00 . A A . 43 CYS CA 1 1 3 1719 1 1 43 CYS CB C 4.560 2.082 12.671 1.00 . A A . 43 CYS CB 1 1 3 1720 1 1 43 CYS H H 5.825 0.565 10.931 1.00 . A A . 43 CYS H 1 1 3 1721 1 1 43 CYS HA H 4.309 3.060 10.784 1.00 . A A . 43 CYS HA 1 1 3 1722 1 1 43 CYS HB2 H 5.190 1.294 13.057 1.00 . A A . 43 CYS HB2 1 1 3 1723 1 1 43 CYS HB3 H 4.597 2.927 13.344 1.00 . A A . 43 CYS HB3 1 1 3 1724 1 1 43 CYS N N 5.418 1.344 10.496 1.00 . A A . 43 CYS N 1 1 3 1725 1 1 43 CYS O O 7.438 2.996 11.281 1.00 . A A . 43 CYS O 1 1 3 1726 1 1 43 CYS SG S 2.848 1.461 12.652 1.00 . A A . 43 CYS SG 1 1 3 1727 1 1 44 CYS C C 6.882 6.468 13.286 1.00 . A A . 44 CYS C 1 1 3 1728 1 1 44 CYS CA C 7.116 5.647 12.021 1.00 . A A . 44 CYS CA 1 1 3 1729 1 1 44 CYS CB C 7.218 6.576 10.809 1.00 . A A . 44 CYS CB 1 1 3 1730 1 1 44 CYS H H 5.115 4.958 11.961 1.00 . A A . 44 CYS H 1 1 3 1731 1 1 44 CYS HA H 8.042 5.103 12.126 1.00 . A A . 44 CYS HA 1 1 3 1732 1 1 44 CYS HB2 H 6.305 7.147 10.725 1.00 . A A . 44 CYS HB2 1 1 3 1733 1 1 44 CYS HB3 H 8.048 7.251 10.952 1.00 . A A . 44 CYS HB3 1 1 3 1734 1 1 44 CYS N N 6.045 4.677 11.826 1.00 . A A . 44 CYS N 1 1 3 1735 1 1 44 CYS O O 5.791 6.995 13.504 1.00 . A A . 44 CYS O 1 1 3 1736 1 1 44 CYS SG S 7.474 5.708 9.228 1.00 . A A . 44 CYS SG 1 1 3 1737 1 1 45 ALA C C 7.969 8.827 15.100 1.00 . A A . 45 ALA C 1 1 3 1738 1 1 45 ALA CA C 7.822 7.331 15.358 1.00 . A A . 45 ALA CA 1 1 3 1739 1 1 45 ALA CB C 8.879 6.857 16.345 1.00 . A A . 45 ALA CB 1 1 3 1740 1 1 45 ALA H H 8.758 6.130 13.888 1.00 . A A . 45 ALA H 1 1 3 1741 1 1 45 ALA HA H 6.850 7.145 15.791 1.00 . A A . 45 ALA HA 1 1 3 1742 1 1 45 ALA HB1 H 8.480 6.904 17.348 1.00 . A A . 45 ALA HB1 1 1 3 1743 1 1 45 ALA HB2 H 9.156 5.840 16.114 1.00 . A A . 45 ALA HB2 1 1 3 1744 1 1 45 ALA HB3 H 9.749 7.493 16.273 1.00 . A A . 45 ALA HB3 1 1 3 1745 1 1 45 ALA N N 7.914 6.573 14.116 1.00 . A A . 45 ALA N 1 1 3 1746 1 1 45 ALA O O 7.471 9.651 15.867 1.00 . A A . 45 ALA O 1 1 4 1747 1 1 1 CYS C C 2.693 -1.494 -1.326 1.00 . A A . 1 CYS C 1 1 4 1748 1 1 1 CYS CA C 1.975 -0.148 -1.299 1.00 . A A . 1 CYS CA 1 1 4 1749 1 1 1 CYS CB C 3.000 0.989 -1.281 1.00 . A A . 1 CYS CB 1 1 4 1750 1 1 1 CYS HA H 1.368 -0.059 -2.187 1.00 . A A . 1 CYS HA 1 1 4 1751 1 1 1 CYS HB2 H 3.842 0.713 -1.898 1.00 . A A . 1 CYS HB2 1 1 4 1752 1 1 1 CYS HB3 H 2.543 1.881 -1.683 1.00 . A A . 1 CYS HB3 1 1 4 1753 1 1 1 CYS N N 1.094 -0.052 -0.141 1.00 . A A . 1 CYS N 1 1 4 1754 1 1 1 CYS O O 2.940 -2.099 -0.282 1.00 . A A . 1 CYS O 1 1 4 1755 1 1 1 CYS SG S 3.638 1.389 0.377 1.00 . A A . 1 CYS SG 1 1 4 1756 1 1 2 TYR C C 5.220 -3.062 -2.537 1.00 . A A . 2 TYR C 1 1 4 1757 1 1 2 TYR CA C 3.712 -3.232 -2.690 1.00 . A A . 2 TYR CA 1 1 4 1758 1 1 2 TYR CB C 3.392 -3.835 -4.059 1.00 . A A . 2 TYR CB 1 1 4 1759 1 1 2 TYR CD1 C 3.109 -6.244 -4.763 1.00 . A A . 2 TYR CD1 1 1 4 1760 1 1 2 TYR CD2 C 1.610 -5.366 -3.131 1.00 . A A . 2 TYR CD2 1 1 4 1761 1 1 2 TYR CE1 C 2.472 -7.468 -4.697 1.00 . A A . 2 TYR CE1 1 1 4 1762 1 1 2 TYR CE2 C 0.967 -6.586 -3.058 1.00 . A A . 2 TYR CE2 1 1 4 1763 1 1 2 TYR CG C 2.691 -5.173 -3.983 1.00 . A A . 2 TYR CG 1 1 4 1764 1 1 2 TYR CZ C 1.402 -7.634 -3.843 1.00 . A A . 2 TYR CZ 1 1 4 1765 1 1 2 TYR H H 2.800 -1.430 -3.321 1.00 . A A . 2 TYR H 1 1 4 1766 1 1 2 TYR HA H 3.356 -3.902 -1.921 1.00 . A A . 2 TYR HA 1 1 4 1767 1 1 2 TYR HB2 H 2.753 -3.158 -4.603 1.00 . A A . 2 TYR HB2 1 1 4 1768 1 1 2 TYR HB3 H 4.312 -3.974 -4.608 1.00 . A A . 2 TYR HB3 1 1 4 1769 1 1 2 TYR HD1 H 3.948 -6.111 -5.431 1.00 . A A . 2 TYR HD1 1 1 4 1770 1 1 2 TYR HD2 H 1.272 -4.543 -2.518 1.00 . A A . 2 TYR HD2 1 1 4 1771 1 1 2 TYR HE1 H 2.811 -8.289 -5.312 1.00 . A A . 2 TYR HE1 1 1 4 1772 1 1 2 TYR HE2 H 0.129 -6.717 -2.389 1.00 . A A . 2 TYR HE2 1 1 4 1773 1 1 2 TYR HH H 1.005 -9.293 -2.957 1.00 . A A . 2 TYR HH 1 1 4 1774 1 1 2 TYR N N 3.024 -1.957 -2.526 1.00 . A A . 2 TYR N 1 1 4 1775 1 1 2 TYR O O 5.765 -1.968 -2.680 1.00 . A A . 2 TYR O 1 1 4 1776 1 1 2 TYR OH O 0.763 -8.851 -3.774 1.00 . A A . 2 TYR OH 1 1 4 1777 1 1 3 PRO C C 8.112 -3.943 -3.369 1.00 . A A . 3 PRO C 1 1 4 1778 1 1 3 PRO CA C 7.367 -4.173 -2.059 1.00 . A A . 3 PRO CA 1 1 4 1779 1 1 3 PRO CB C 7.656 -5.575 -1.518 1.00 . A A . 3 PRO CB 1 1 4 1780 1 1 3 PRO CD C 5.327 -5.510 -2.052 1.00 . A A . 3 PRO CD 1 1 4 1781 1 1 3 PRO CG C 6.529 -6.413 -2.015 1.00 . A A . 3 PRO CG 1 1 4 1782 1 1 3 PRO HA H 7.678 -3.435 -1.335 1.00 . A A . 3 PRO HA 1 1 4 1783 1 1 3 PRO HB2 H 8.606 -5.922 -1.900 1.00 . A A . 3 PRO HB2 1 1 4 1784 1 1 3 PRO HB3 H 7.684 -5.550 -0.439 1.00 . A A . 3 PRO HB3 1 1 4 1785 1 1 3 PRO HD2 H 4.686 -5.770 -2.881 1.00 . A A . 3 PRO HD2 1 1 4 1786 1 1 3 PRO HD3 H 4.784 -5.567 -1.120 1.00 . A A . 3 PRO HD3 1 1 4 1787 1 1 3 PRO HG2 H 6.753 -6.781 -3.004 1.00 . A A . 3 PRO HG2 1 1 4 1788 1 1 3 PRO HG3 H 6.358 -7.237 -1.337 1.00 . A A . 3 PRO HG3 1 1 4 1789 1 1 3 PRO N N 5.912 -4.172 -2.238 1.00 . A A . 3 PRO N 1 1 4 1790 1 1 3 PRO O O 8.604 -4.886 -3.988 1.00 . A A . 3 PRO O 1 1 4 1791 1 1 4 GLY C C 8.134 -1.319 -5.841 1.00 . A A . 4 GLY C 1 1 4 1792 1 1 4 GLY CA C 8.880 -2.352 -5.021 1.00 . A A . 4 GLY CA 1 1 4 1793 1 1 4 GLY H H 7.781 -1.972 -3.251 1.00 . A A . 4 GLY H 1 1 4 1794 1 1 4 GLY HA2 H 9.860 -1.968 -4.782 1.00 . A A . 4 GLY HA2 1 1 4 1795 1 1 4 GLY HA3 H 8.990 -3.251 -5.609 1.00 . A A . 4 GLY HA3 1 1 4 1796 1 1 4 GLY N N 8.192 -2.683 -3.786 1.00 . A A . 4 GLY N 1 1 4 1797 1 1 4 GLY O O 8.577 -0.942 -6.925 1.00 . A A . 4 GLY O 1 1 4 1798 1 1 5 GLN C C 6.815 1.517 -5.908 1.00 . A A . 5 GLN C 1 1 4 1799 1 1 5 GLN CA C 6.188 0.131 -6.018 1.00 . A A . 5 GLN CA 1 1 4 1800 1 1 5 GLN CB C 4.769 0.153 -5.446 1.00 . A A . 5 GLN CB 1 1 4 1801 1 1 5 GLN CD C 2.527 -1.010 -5.508 1.00 . A A . 5 GLN CD 1 1 4 1802 1 1 5 GLN CG C 4.032 -1.168 -5.595 1.00 . A A . 5 GLN CG 1 1 4 1803 1 1 5 GLN H H 6.697 -1.203 -4.456 1.00 . A A . 5 GLN H 1 1 4 1804 1 1 5 GLN HA H 6.142 -0.148 -7.060 1.00 . A A . 5 GLN HA 1 1 4 1805 1 1 5 GLN HB2 H 4.821 0.395 -4.395 1.00 . A A . 5 GLN HB2 1 1 4 1806 1 1 5 GLN HB3 H 4.200 0.917 -5.956 1.00 . A A . 5 GLN HB3 1 1 4 1807 1 1 5 GLN HE21 H 2.284 -2.228 -7.060 1.00 . A A . 5 GLN HE21 1 1 4 1808 1 1 5 GLN HE22 H 0.834 -1.594 -6.370 1.00 . A A . 5 GLN HE22 1 1 4 1809 1 1 5 GLN HG2 H 4.278 -1.596 -6.555 1.00 . A A . 5 GLN HG2 1 1 4 1810 1 1 5 GLN HG3 H 4.356 -1.836 -4.811 1.00 . A A . 5 GLN HG3 1 1 4 1811 1 1 5 GLN N N 6.998 -0.863 -5.324 1.00 . A A . 5 GLN N 1 1 4 1812 1 1 5 GLN NE2 N 1.809 -1.677 -6.403 1.00 . A A . 5 GLN NE2 1 1 4 1813 1 1 5 GLN O O 7.568 1.813 -4.981 1.00 . A A . 5 GLN O 1 1 4 1814 1 1 5 GLN OE1 O 2.015 -0.296 -4.645 1.00 . A A . 5 GLN OE1 1 1 4 1815 1 1 6 PRO C C 6.437 4.628 -5.804 1.00 . A A . 6 PRO C 1 1 4 1816 1 1 6 PRO CA C 7.019 3.758 -6.912 1.00 . A A . 6 PRO CA 1 1 4 1817 1 1 6 PRO CB C 6.576 4.272 -8.284 1.00 . A A . 6 PRO CB 1 1 4 1818 1 1 6 PRO CD C 5.605 2.104 -8.014 1.00 . A A . 6 PRO CD 1 1 4 1819 1 1 6 PRO CG C 5.374 3.460 -8.623 1.00 . A A . 6 PRO CG 1 1 4 1820 1 1 6 PRO HA H 8.098 3.774 -6.851 1.00 . A A . 6 PRO HA 1 1 4 1821 1 1 6 PRO HB2 H 6.337 5.324 -8.217 1.00 . A A . 6 PRO HB2 1 1 4 1822 1 1 6 PRO HB3 H 7.369 4.122 -9.002 1.00 . A A . 6 PRO HB3 1 1 4 1823 1 1 6 PRO HD2 H 4.672 1.679 -7.675 1.00 . A A . 6 PRO HD2 1 1 4 1824 1 1 6 PRO HD3 H 6.085 1.448 -8.725 1.00 . A A . 6 PRO HD3 1 1 4 1825 1 1 6 PRO HG2 H 4.492 3.915 -8.200 1.00 . A A . 6 PRO HG2 1 1 4 1826 1 1 6 PRO HG3 H 5.278 3.377 -9.695 1.00 . A A . 6 PRO HG3 1 1 4 1827 1 1 6 PRO N N 6.498 2.389 -6.877 1.00 . A A . 6 PRO N 1 1 4 1828 1 1 6 PRO O O 5.228 4.852 -5.747 1.00 . A A . 6 PRO O 1 1 4 1829 1 1 7 GLY C C 6.842 5.224 -2.502 1.00 . A A . 7 GLY C 1 1 4 1830 1 1 7 GLY CA C 6.857 5.958 -3.828 1.00 . A A . 7 GLY CA 1 1 4 1831 1 1 7 GLY H H 8.257 4.905 -5.018 1.00 . A A . 7 GLY H 1 1 4 1832 1 1 7 GLY HA2 H 7.517 6.809 -3.749 1.00 . A A . 7 GLY HA2 1 1 4 1833 1 1 7 GLY HA3 H 5.858 6.308 -4.044 1.00 . A A . 7 GLY HA3 1 1 4 1834 1 1 7 GLY N N 7.305 5.117 -4.923 1.00 . A A . 7 GLY N 1 1 4 1835 1 1 7 GLY O O 6.438 5.780 -1.480 1.00 . A A . 7 GLY O 1 1 4 1836 1 1 8 CYS C C 8.643 2.415 -1.188 1.00 . A A . 8 CYS C 1 1 4 1837 1 1 8 CYS CA C 7.314 3.156 -1.307 1.00 . A A . 8 CYS CA 1 1 4 1838 1 1 8 CYS CB C 6.157 2.155 -1.308 1.00 . A A . 8 CYS CB 1 1 4 1839 1 1 8 CYS H H 7.590 3.581 -3.363 1.00 . A A . 8 CYS H 1 1 4 1840 1 1 8 CYS HA H 7.207 3.816 -0.460 1.00 . A A . 8 CYS HA 1 1 4 1841 1 1 8 CYS HB2 H 5.320 2.585 -1.839 1.00 . A A . 8 CYS HB2 1 1 4 1842 1 1 8 CYS HB3 H 6.472 1.254 -1.812 1.00 . A A . 8 CYS HB3 1 1 4 1843 1 1 8 CYS N N 7.281 3.970 -2.517 1.00 . A A . 8 CYS N 1 1 4 1844 1 1 8 CYS O O 9.311 2.152 -2.186 1.00 . A A . 8 CYS O 1 1 4 1845 1 1 8 CYS SG S 5.576 1.689 0.354 1.00 . A A . 8 CYS SG 1 1 4 1846 1 1 9 GLY C C 10.352 0.789 1.668 1.00 . A A . 9 GLY C 1 1 4 1847 1 1 9 GLY CA C 10.264 1.372 0.272 1.00 . A A . 9 GLY CA 1 1 4 1848 1 1 9 GLY H H 8.445 2.316 0.802 1.00 . A A . 9 GLY H 1 1 4 1849 1 1 9 GLY HA2 H 10.348 0.571 -0.448 1.00 . A A . 9 GLY HA2 1 1 4 1850 1 1 9 GLY HA3 H 11.086 2.058 0.129 1.00 . A A . 9 GLY HA3 1 1 4 1851 1 1 9 GLY N N 9.018 2.080 0.043 1.00 . A A . 9 GLY N 1 1 4 1852 1 1 9 GLY O O 9.419 0.914 2.461 1.00 . A A . 9 GLY O 1 1 4 1853 1 1 10 HIS C C 11.820 0.610 4.359 1.00 . A A . 10 HIS C 1 1 4 1854 1 1 10 HIS CA C 11.682 -0.460 3.281 1.00 . A A . 10 HIS CA 1 1 4 1855 1 1 10 HIS CB C 12.926 -1.349 3.265 1.00 . A A . 10 HIS CB 1 1 4 1856 1 1 10 HIS CD2 C 13.103 -2.225 5.700 1.00 . A A . 10 HIS CD2 1 1 4 1857 1 1 10 HIS CE1 C 15.037 -1.334 6.221 1.00 . A A . 10 HIS CE1 1 1 4 1858 1 1 10 HIS CG C 13.541 -1.542 4.617 1.00 . A A . 10 HIS CG 1 1 4 1859 1 1 10 HIS H H 12.184 0.080 1.296 1.00 . A A . 10 HIS H 1 1 4 1860 1 1 10 HIS HA H 10.818 -1.068 3.504 1.00 . A A . 10 HIS HA 1 1 4 1861 1 1 10 HIS HB2 H 12.660 -2.322 2.880 1.00 . A A . 10 HIS HB2 1 1 4 1862 1 1 10 HIS HB3 H 13.671 -0.904 2.621 1.00 . A A . 10 HIS HB3 1 1 4 1863 1 1 10 HIS HD1 H 15.325 -0.441 4.404 1.00 . A A . 10 HIS HD1 1 1 4 1864 1 1 10 HIS HD2 H 12.179 -2.781 5.777 1.00 . A A . 10 HIS HD2 1 1 4 1865 1 1 10 HIS HE1 H 15.923 -1.050 6.769 1.00 . A A . 10 HIS HE1 1 1 4 1866 1 1 10 HIS N N 11.476 0.147 1.970 1.00 . A A . 10 HIS N 1 1 4 1867 1 1 10 HIS ND1 N 14.755 -0.995 4.976 1.00 . A A . 10 HIS ND1 1 1 4 1868 1 1 10 HIS NE2 N 14.050 -2.081 6.683 1.00 . A A . 10 HIS NE2 1 1 4 1869 1 1 10 HIS O O 12.723 1.446 4.307 1.00 . A A . 10 HIS O 1 1 4 1870 1 1 11 CYS C C 12.208 1.398 7.262 1.00 . A A . 11 CYS C 1 1 4 1871 1 1 11 CYS CA C 10.940 1.547 6.426 1.00 . A A . 11 CYS CA 1 1 4 1872 1 1 11 CYS CB C 9.706 1.371 7.314 1.00 . A A . 11 CYS CB 1 1 4 1873 1 1 11 CYS H H 10.223 -0.111 5.322 1.00 . A A . 11 CYS H 1 1 4 1874 1 1 11 CYS HA H 10.923 2.536 5.993 1.00 . A A . 11 CYS HA 1 1 4 1875 1 1 11 CYS HB2 H 9.638 2.210 7.992 1.00 . A A . 11 CYS HB2 1 1 4 1876 1 1 11 CYS HB3 H 8.825 1.346 6.691 1.00 . A A . 11 CYS HB3 1 1 4 1877 1 1 11 CYS N N 10.920 0.580 5.335 1.00 . A A . 11 CYS N 1 1 4 1878 1 1 11 CYS O O 12.936 0.413 7.134 1.00 . A A . 11 CYS O 1 1 4 1879 1 1 11 CYS SG S 9.723 -0.149 8.317 1.00 . A A . 11 CYS SG 1 1 4 1880 1 1 12 SER C C 13.423 3.203 10.226 1.00 . A A . 12 SER C 1 1 4 1881 1 1 12 SER CA C 13.646 2.363 8.972 1.00 . A A . 12 SER CA 1 1 4 1882 1 1 12 SER CB C 14.864 2.883 8.206 1.00 . A A . 12 SER CB 1 1 4 1883 1 1 12 SER H H 11.846 3.141 8.173 1.00 . A A . 12 SER H 1 1 4 1884 1 1 12 SER HA H 13.826 1.339 9.266 1.00 . A A . 12 SER HA 1 1 4 1885 1 1 12 SER HB2 H 14.554 3.226 7.231 1.00 . A A . 12 SER HB2 1 1 4 1886 1 1 12 SER HB3 H 15.306 3.703 8.753 1.00 . A A . 12 SER HB3 1 1 4 1887 1 1 12 SER HG H 16.080 1.514 8.904 1.00 . A A . 12 SER HG 1 1 4 1888 1 1 12 SER N N 12.465 2.382 8.117 1.00 . A A . 12 SER N 1 1 4 1889 1 1 12 SER O O 12.676 4.181 10.206 1.00 . A A . 12 SER O 1 1 4 1890 1 1 12 SER OG O 15.837 1.865 8.044 1.00 . A A . 12 SER OG 1 1 4 1891 1 1 13 ARG C C 13.954 5.037 12.354 1.00 . A A . 13 ARG C 1 1 4 1892 1 1 13 ARG CA C 13.949 3.528 12.580 1.00 . A A . 13 ARG CA 1 1 4 1893 1 1 13 ARG CB C 15.086 3.140 13.526 1.00 . A A . 13 ARG CB 1 1 4 1894 1 1 13 ARG CD C 16.145 1.363 14.954 1.00 . A A . 13 ARG CD 1 1 4 1895 1 1 13 ARG CG C 15.095 1.665 13.896 1.00 . A A . 13 ARG CG 1 1 4 1896 1 1 13 ARG CZ C 17.065 -0.781 14.178 1.00 . A A . 13 ARG CZ 1 1 4 1897 1 1 13 ARG H H 14.657 2.025 11.269 1.00 . A A . 13 ARG H 1 1 4 1898 1 1 13 ARG HA H 13.008 3.246 13.028 1.00 . A A . 13 ARG HA 1 1 4 1899 1 1 13 ARG HB2 H 16.029 3.376 13.054 1.00 . A A . 13 ARG HB2 1 1 4 1900 1 1 13 ARG HB3 H 14.994 3.716 14.435 1.00 . A A . 13 ARG HB3 1 1 4 1901 1 1 13 ARG HD2 H 17.065 1.858 14.682 1.00 . A A . 13 ARG HD2 1 1 4 1902 1 1 13 ARG HD3 H 15.799 1.743 15.903 1.00 . A A . 13 ARG HD3 1 1 4 1903 1 1 13 ARG HE H 16.051 -0.524 15.876 1.00 . A A . 13 ARG HE 1 1 4 1904 1 1 13 ARG HG2 H 14.123 1.394 14.281 1.00 . A A . 13 ARG HG2 1 1 4 1905 1 1 13 ARG HG3 H 15.310 1.084 13.011 1.00 . A A . 13 ARG HG3 1 1 4 1906 1 1 13 ARG HH11 H 17.406 0.786 12.949 1.00 . A A . 13 ARG HH11 1 1 4 1907 1 1 13 ARG HH12 H 18.050 -0.731 12.414 1.00 . A A . 13 ARG HH12 1 1 4 1908 1 1 13 ARG HH21 H 16.894 -2.527 15.182 1.00 . A A . 13 ARG HH21 1 1 4 1909 1 1 13 ARG HH22 H 17.757 -2.615 13.685 1.00 . A A . 13 ARG HH22 1 1 4 1910 1 1 13 ARG N N 14.076 2.813 11.316 1.00 . A A . 13 ARG N 1 1 4 1911 1 1 13 ARG NE N 16.397 -0.070 15.080 1.00 . A A . 13 ARG NE 1 1 4 1912 1 1 13 ARG NH1 N 17.546 -0.194 13.091 1.00 . A A . 13 ARG NH1 1 1 4 1913 1 1 13 ARG NH2 N 17.255 -2.081 14.364 1.00 . A A . 13 ARG NH2 1 1 4 1914 1 1 13 ARG O O 14.616 5.552 11.453 1.00 . A A . 13 ARG O 1 1 4 1915 1 1 14 PRO C C 11.220 4.359 13.733 1.00 . A A . 14 PRO C 1 1 4 1916 1 1 14 PRO CA C 12.403 5.161 14.265 1.00 . A A . 14 PRO CA 1 1 4 1917 1 1 14 PRO CB C 11.914 6.370 15.065 1.00 . A A . 14 PRO CB 1 1 4 1918 1 1 14 PRO CD C 13.056 7.228 13.149 1.00 . A A . 14 PRO CD 1 1 4 1919 1 1 14 PRO CG C 11.913 7.495 14.088 1.00 . A A . 14 PRO CG 1 1 4 1920 1 1 14 PRO HA H 13.009 4.529 14.898 1.00 . A A . 14 PRO HA 1 1 4 1921 1 1 14 PRO HB2 H 10.921 6.175 15.445 1.00 . A A . 14 PRO HB2 1 1 4 1922 1 1 14 PRO HB3 H 12.588 6.561 15.886 1.00 . A A . 14 PRO HB3 1 1 4 1923 1 1 14 PRO HD2 H 12.812 7.565 12.152 1.00 . A A . 14 PRO HD2 1 1 4 1924 1 1 14 PRO HD3 H 13.956 7.711 13.502 1.00 . A A . 14 PRO HD3 1 1 4 1925 1 1 14 PRO HG2 H 10.979 7.512 13.547 1.00 . A A . 14 PRO HG2 1 1 4 1926 1 1 14 PRO HG3 H 12.065 8.431 14.606 1.00 . A A . 14 PRO HG3 1 1 4 1927 1 1 14 PRO N N 13.197 5.763 13.189 1.00 . A A . 14 PRO N 1 1 4 1928 1 1 14 PRO O O 10.317 3.996 14.485 1.00 . A A . 14 PRO O 1 1 4 1929 1 1 15 ASN C C 10.392 1.827 11.952 1.00 . A A . 15 ASN C 1 1 4 1930 1 1 15 ASN CA C 10.160 3.327 11.800 1.00 . A A . 15 ASN CA 1 1 4 1931 1 1 15 ASN CB C 10.054 3.691 10.318 1.00 . A A . 15 ASN CB 1 1 4 1932 1 1 15 ASN CG C 10.336 5.159 10.061 1.00 . A A . 15 ASN CG 1 1 4 1933 1 1 15 ASN H H 11.980 4.404 11.884 1.00 . A A . 15 ASN H 1 1 4 1934 1 1 15 ASN HA H 9.235 3.588 12.292 1.00 . A A . 15 ASN HA 1 1 4 1935 1 1 15 ASN HB2 H 10.768 3.104 9.758 1.00 . A A . 15 ASN HB2 1 1 4 1936 1 1 15 ASN HB3 H 9.058 3.467 9.968 1.00 . A A . 15 ASN HB3 1 1 4 1937 1 1 15 ASN HD21 H 11.038 4.733 8.250 1.00 . A A . 15 ASN HD21 1 1 4 1938 1 1 15 ASN HD22 H 11.055 6.404 8.689 1.00 . A A . 15 ASN HD22 1 1 4 1939 1 1 15 ASN N N 11.233 4.086 12.432 1.00 . A A . 15 ASN N 1 1 4 1940 1 1 15 ASN ND2 N 10.863 5.462 8.881 1.00 . A A . 15 ASN ND2 1 1 4 1941 1 1 15 ASN O O 11.530 1.358 11.917 1.00 . A A . 15 ASN O 1 1 4 1942 1 1 15 ASN OD1 O 10.082 6.009 10.914 1.00 . A A . 15 ASN OD1 1 1 4 1943 1 1 16 TYR C C 8.222 -1.061 11.590 1.00 . A A . 16 TYR C 1 1 4 1944 1 1 16 TYR CA C 9.392 -0.367 12.280 1.00 . A A . 16 TYR CA 1 1 4 1945 1 1 16 TYR CB C 9.416 -0.737 13.764 1.00 . A A . 16 TYR CB 1 1 4 1946 1 1 16 TYR CD1 C 7.566 0.615 14.826 1.00 . A A . 16 TYR CD1 1 1 4 1947 1 1 16 TYR CD2 C 7.295 -1.750 14.689 1.00 . A A . 16 TYR CD2 1 1 4 1948 1 1 16 TYR CE1 C 6.335 0.725 15.443 1.00 . A A . 16 TYR CE1 1 1 4 1949 1 1 16 TYR CE2 C 6.063 -1.649 15.304 1.00 . A A . 16 TYR CE2 1 1 4 1950 1 1 16 TYR CG C 8.068 -0.622 14.438 1.00 . A A . 16 TYR CG 1 1 4 1951 1 1 16 TYR CZ C 5.587 -0.410 15.679 1.00 . A A . 16 TYR CZ 1 1 4 1952 1 1 16 TYR H H 8.428 1.511 12.141 1.00 . A A . 16 TYR H 1 1 4 1953 1 1 16 TYR HA H 10.313 -0.697 11.822 1.00 . A A . 16 TYR HA 1 1 4 1954 1 1 16 TYR HB2 H 9.752 -1.757 13.868 1.00 . A A . 16 TYR HB2 1 1 4 1955 1 1 16 TYR HB3 H 10.103 -0.083 14.280 1.00 . A A . 16 TYR HB3 1 1 4 1956 1 1 16 TYR HD1 H 8.154 1.501 14.639 1.00 . A A . 16 TYR HD1 1 1 4 1957 1 1 16 TYR HD2 H 7.671 -2.719 14.394 1.00 . A A . 16 TYR HD2 1 1 4 1958 1 1 16 TYR HE1 H 5.962 1.695 15.736 1.00 . A A . 16 TYR HE1 1 1 4 1959 1 1 16 TYR HE2 H 5.477 -2.537 15.490 1.00 . A A . 16 TYR HE2 1 1 4 1960 1 1 16 TYR HH H 4.264 0.573 16.668 1.00 . A A . 16 TYR HH 1 1 4 1961 1 1 16 TYR N N 9.307 1.080 12.121 1.00 . A A . 16 TYR N 1 1 4 1962 1 1 16 TYR O O 7.389 -0.414 10.954 1.00 . A A . 16 TYR O 1 1 4 1963 1 1 16 TYR OH O 4.360 -0.305 16.293 1.00 . A A . 16 TYR OH 1 1 4 1964 1 1 17 CYS C C 5.890 -3.252 12.036 1.00 . A A . 17 CYS C 1 1 4 1965 1 1 17 CYS CA C 7.100 -3.167 11.110 1.00 . A A . 17 CYS CA 1 1 4 1966 1 1 17 CYS CB C 7.600 -4.573 10.775 1.00 . A A . 17 CYS CB 1 1 4 1967 1 1 17 CYS H H 8.860 -2.842 12.239 1.00 . A A . 17 CYS H 1 1 4 1968 1 1 17 CYS HA H 6.804 -2.672 10.197 1.00 . A A . 17 CYS HA 1 1 4 1969 1 1 17 CYS HB2 H 8.408 -4.828 11.445 1.00 . A A . 17 CYS HB2 1 1 4 1970 1 1 17 CYS HB3 H 6.791 -5.276 10.910 1.00 . A A . 17 CYS HB3 1 1 4 1971 1 1 17 CYS N N 8.166 -2.382 11.720 1.00 . A A . 17 CYS N 1 1 4 1972 1 1 17 CYS O O 6.026 -3.536 13.226 1.00 . A A . 17 CYS O 1 1 4 1973 1 1 17 CYS SG S 8.217 -4.757 9.071 1.00 . A A . 17 CYS SG 1 1 4 1974 1 1 18 GLU C C 2.306 -3.523 11.394 1.00 . A A . 18 GLU C 1 1 4 1975 1 1 18 GLU CA C 3.474 -3.054 12.257 1.00 . A A . 18 GLU CA 1 1 4 1976 1 1 18 GLU CB C 3.164 -1.678 12.850 1.00 . A A . 18 GLU CB 1 1 4 1977 1 1 18 GLU CD C 2.641 -2.905 14.996 1.00 . A A . 18 GLU CD 1 1 4 1978 1 1 18 GLU CG C 2.295 -1.735 14.096 1.00 . A A . 18 GLU CG 1 1 4 1979 1 1 18 GLU H H 4.664 -2.785 10.526 1.00 . A A . 18 GLU H 1 1 4 1980 1 1 18 GLU HA H 3.617 -3.759 13.062 1.00 . A A . 18 GLU HA 1 1 4 1981 1 1 18 GLU HB2 H 4.094 -1.192 13.106 1.00 . A A . 18 GLU HB2 1 1 4 1982 1 1 18 GLU HB3 H 2.652 -1.086 12.106 1.00 . A A . 18 GLU HB3 1 1 4 1983 1 1 18 GLU HG2 H 2.429 -0.820 14.654 1.00 . A A . 18 GLU HG2 1 1 4 1984 1 1 18 GLU HG3 H 1.262 -1.824 13.794 1.00 . A A . 18 GLU HG3 1 1 4 1985 1 1 18 GLU N N 4.707 -3.005 11.480 1.00 . A A . 18 GLU N 1 1 4 1986 1 1 18 GLU O O 1.928 -2.860 10.428 1.00 . A A . 18 GLU O 1 1 4 1987 1 1 18 GLU OE1 O 3.357 -2.692 15.997 1.00 . A A . 18 GLU OE1 1 1 4 1988 1 1 18 GLU OE2 O 2.196 -4.034 14.699 1.00 . A A . 18 GLU OE2 1 1 4 1989 1 1 19 GLY C C -0.689 -4.523 11.333 1.00 . A A . 19 GLY C 1 1 4 1990 1 1 19 GLY CA C 0.620 -5.210 10.997 1.00 . A A . 19 GLY CA 1 1 4 1991 1 1 19 GLY H H 2.082 -5.157 12.528 1.00 . A A . 19 GLY H 1 1 4 1992 1 1 19 GLY HA2 H 0.818 -5.090 9.943 1.00 . A A . 19 GLY HA2 1 1 4 1993 1 1 19 GLY HA3 H 0.527 -6.264 11.218 1.00 . A A . 19 GLY HA3 1 1 4 1994 1 1 19 GLY N N 1.738 -4.671 11.749 1.00 . A A . 19 GLY N 1 1 4 1995 1 1 19 GLY O O -1.644 -4.580 10.559 1.00 . A A . 19 GLY O 1 1 4 1996 1 1 20 ALA C C -1.618 -1.737 13.331 1.00 . A A . 20 ALA C 1 1 4 1997 1 1 20 ALA CA C -1.935 -3.173 12.928 1.00 . A A . 20 ALA CA 1 1 4 1998 1 1 20 ALA CB C -2.588 -3.915 14.085 1.00 . A A . 20 ALA CB 1 1 4 1999 1 1 20 ALA H H 0.060 -3.864 13.066 1.00 . A A . 20 ALA H 1 1 4 2000 1 1 20 ALA HA H -2.632 -3.159 12.102 1.00 . A A . 20 ALA HA 1 1 4 2001 1 1 20 ALA HB1 H -2.501 -3.325 14.985 1.00 . A A . 20 ALA HB1 1 1 4 2002 1 1 20 ALA HB2 H -3.632 -4.081 13.862 1.00 . A A . 20 ALA HB2 1 1 4 2003 1 1 20 ALA HB3 H -2.094 -4.865 14.227 1.00 . A A . 20 ALA HB3 1 1 4 2004 1 1 20 ALA N N -0.734 -3.873 12.492 1.00 . A A . 20 ALA N 1 1 4 2005 1 1 20 ALA O O -0.601 -1.178 12.920 1.00 . A A . 20 ALA O 1 1 4 2006 1 1 21 ARG C C -1.054 0.347 15.453 1.00 . A A . 21 ARG C 1 1 4 2007 1 1 21 ARG CA C -2.308 0.227 14.592 1.00 . A A . 21 ARG CA 1 1 4 2008 1 1 21 ARG CB C -3.530 0.694 15.384 1.00 . A A . 21 ARG CB 1 1 4 2009 1 1 21 ARG CD C -5.728 1.415 14.402 1.00 . A A . 21 ARG CD 1 1 4 2010 1 1 21 ARG CG C -4.852 0.235 14.791 1.00 . A A . 21 ARG CG 1 1 4 2011 1 1 21 ARG CZ C -7.791 1.830 13.130 1.00 . A A . 21 ARG CZ 1 1 4 2012 1 1 21 ARG H H -3.286 -1.643 14.429 1.00 . A A . 21 ARG H 1 1 4 2013 1 1 21 ARG HA H -2.193 0.854 13.721 1.00 . A A . 21 ARG HA 1 1 4 2014 1 1 21 ARG HB2 H -3.460 0.311 16.391 1.00 . A A . 21 ARG HB2 1 1 4 2015 1 1 21 ARG HB3 H -3.531 1.773 15.417 1.00 . A A . 21 ARG HB3 1 1 4 2016 1 1 21 ARG HD2 H -6.170 1.829 15.296 1.00 . A A . 21 ARG HD2 1 1 4 2017 1 1 21 ARG HD3 H -5.111 2.162 13.925 1.00 . A A . 21 ARG HD3 1 1 4 2018 1 1 21 ARG HE H -6.767 0.118 13.114 1.00 . A A . 21 ARG HE 1 1 4 2019 1 1 21 ARG HG2 H -4.654 -0.358 13.910 1.00 . A A . 21 ARG HG2 1 1 4 2020 1 1 21 ARG HG3 H -5.374 -0.365 15.521 1.00 . A A . 21 ARG HG3 1 1 4 2021 1 1 21 ARG HH11 H -7.152 3.388 14.246 1.00 . A A . 21 ARG HH11 1 1 4 2022 1 1 21 ARG HH12 H -8.605 3.668 13.344 1.00 . A A . 21 ARG HH12 1 1 4 2023 1 1 21 ARG HH21 H -8.679 0.474 11.922 1.00 . A A . 21 ARG HH21 1 1 4 2024 1 1 21 ARG HH22 H -9.473 2.009 12.023 1.00 . A A . 21 ARG HH22 1 1 4 2025 1 1 21 ARG N N -2.494 -1.145 14.136 1.00 . A A . 21 ARG N 1 1 4 2026 1 1 21 ARG NE N -6.795 1.025 13.484 1.00 . A A . 21 ARG NE 1 1 4 2027 1 1 21 ARG NH1 N -7.855 3.063 13.613 1.00 . A A . 21 ARG NH1 1 1 4 2028 1 1 21 ARG NH2 N -8.725 1.403 12.289 1.00 . A A . 21 ARG NH2 1 1 4 2029 1 1 21 ARG O O -0.859 -0.421 16.396 1.00 . A A . 21 ARG O 1 1 4 2030 1 1 22 CYS C C 0.747 1.705 17.355 1.00 . A A . 22 CYS C 1 1 4 2031 1 1 22 CYS CA C 1.029 1.537 15.865 1.00 . A A . 22 CYS CA 1 1 4 2032 1 1 22 CYS CB C 1.755 2.773 15.330 1.00 . A A . 22 CYS CB 1 1 4 2033 1 1 22 CYS H H -0.416 1.896 14.361 1.00 . A A . 22 CYS H 1 1 4 2034 1 1 22 CYS HA H 1.660 0.672 15.726 1.00 . A A . 22 CYS HA 1 1 4 2035 1 1 22 CYS HB2 H 1.282 3.659 15.727 1.00 . A A . 22 CYS HB2 1 1 4 2036 1 1 22 CYS HB3 H 2.785 2.745 15.654 1.00 . A A . 22 CYS HB3 1 1 4 2037 1 1 22 CYS N N -0.206 1.316 15.123 1.00 . A A . 22 CYS N 1 1 4 2038 1 1 22 CYS O O -0.382 1.988 17.754 1.00 . A A . 22 CYS O 1 1 4 2039 1 1 22 CYS SG S 1.749 2.911 13.513 1.00 . A A . 22 CYS SG 1 1 4 2040 1 1 23 GLU C C 1.502 3.125 20.019 1.00 . A A . 23 GLU C 1 1 4 2041 1 1 23 GLU CA C 1.643 1.660 19.617 1.00 . A A . 23 GLU CA 1 1 4 2042 1 1 23 GLU CB C 2.849 1.039 20.325 1.00 . A A . 23 GLU CB 1 1 4 2043 1 1 23 GLU CD C 4.553 -0.825 20.298 1.00 . A A . 23 GLU CD 1 1 4 2044 1 1 23 GLU CG C 3.587 0.012 19.483 1.00 . A A . 23 GLU CG 1 1 4 2045 1 1 23 GLU H H 2.656 1.304 17.793 1.00 . A A . 23 GLU H 1 1 4 2046 1 1 23 GLU HA H 0.751 1.130 19.915 1.00 . A A . 23 GLU HA 1 1 4 2047 1 1 23 GLU HB2 H 3.542 1.825 20.587 1.00 . A A . 23 GLU HB2 1 1 4 2048 1 1 23 GLU HB3 H 2.510 0.555 21.229 1.00 . A A . 23 GLU HB3 1 1 4 2049 1 1 23 GLU HG2 H 2.864 -0.645 19.024 1.00 . A A . 23 GLU HG2 1 1 4 2050 1 1 23 GLU HG3 H 4.142 0.528 18.713 1.00 . A A . 23 GLU HG3 1 1 4 2051 1 1 23 GLU N N 1.781 1.529 18.171 1.00 . A A . 23 GLU N 1 1 4 2052 1 1 23 GLU O O 1.858 4.026 19.259 1.00 . A A . 23 GLU O 1 1 4 2053 1 1 23 GLU OE1 O 5.187 -0.270 21.220 1.00 . A A . 23 GLU OE1 1 1 4 2054 1 1 23 GLU OE2 O 4.676 -2.035 20.015 1.00 . A A . 23 GLU OE2 1 1 4 2055 1 1 24 SER C C 2.105 5.482 21.725 1.00 . A A . 24 SER C 1 1 4 2056 1 1 24 SER CA C 0.788 4.711 21.722 1.00 . A A . 24 SER CA 1 1 4 2057 1 1 24 SER CB C 0.201 4.676 23.135 1.00 . A A . 24 SER CB 1 1 4 2058 1 1 24 SER H H 0.717 2.596 21.780 1.00 . A A . 24 SER H 1 1 4 2059 1 1 24 SER HA H 0.093 5.213 21.065 1.00 . A A . 24 SER HA 1 1 4 2060 1 1 24 SER HB2 H 0.528 3.777 23.635 1.00 . A A . 24 SER HB2 1 1 4 2061 1 1 24 SER HB3 H 0.545 5.539 23.686 1.00 . A A . 24 SER HB3 1 1 4 2062 1 1 24 SER HG H -1.551 5.120 23.889 1.00 . A A . 24 SER HG 1 1 4 2063 1 1 24 SER N N 0.981 3.356 21.220 1.00 . A A . 24 SER N 1 1 4 2064 1 1 24 SER O O 2.774 5.585 22.752 1.00 . A A . 24 SER O 1 1 4 2065 1 1 24 SER OG O -1.215 4.690 23.099 1.00 . A A . 24 SER OG 1 1 4 2066 1 1 25 GLY C C 4.159 6.938 19.019 1.00 . A A . 25 GLY C 1 1 4 2067 1 1 25 GLY CA C 3.706 6.775 20.456 1.00 . A A . 25 GLY CA 1 1 4 2068 1 1 25 GLY H H 1.898 5.906 19.780 1.00 . A A . 25 GLY H 1 1 4 2069 1 1 25 GLY HA2 H 3.558 7.753 20.889 1.00 . A A . 25 GLY HA2 1 1 4 2070 1 1 25 GLY HA3 H 4.479 6.261 21.009 1.00 . A A . 25 GLY HA3 1 1 4 2071 1 1 25 GLY N N 2.471 6.021 20.566 1.00 . A A . 25 GLY N 1 1 4 2072 1 1 25 GLY O O 4.679 7.987 18.639 1.00 . A A . 25 GLY O 1 1 4 2073 1 1 26 PHE C C 3.179 6.307 15.924 1.00 . A A . 26 PHE C 1 1 4 2074 1 1 26 PHE CA C 4.359 5.927 16.813 1.00 . A A . 26 PHE CA 1 1 4 2075 1 1 26 PHE CB C 4.916 4.567 16.388 1.00 . A A . 26 PHE CB 1 1 4 2076 1 1 26 PHE CD1 C 6.169 4.068 18.505 1.00 . A A . 26 PHE CD1 1 1 4 2077 1 1 26 PHE CD2 C 7.338 3.913 16.433 1.00 . A A . 26 PHE CD2 1 1 4 2078 1 1 26 PHE CE1 C 7.317 3.707 19.184 1.00 . A A . 26 PHE CE1 1 1 4 2079 1 1 26 PHE CE2 C 8.489 3.551 17.107 1.00 . A A . 26 PHE CE2 1 1 4 2080 1 1 26 PHE CG C 6.166 4.175 17.123 1.00 . A A . 26 PHE CG 1 1 4 2081 1 1 26 PHE CZ C 8.479 3.449 18.484 1.00 . A A . 26 PHE CZ 1 1 4 2082 1 1 26 PHE H H 3.545 5.087 18.578 1.00 . A A . 26 PHE H 1 1 4 2083 1 1 26 PHE HA H 5.131 6.673 16.704 1.00 . A A . 26 PHE HA 1 1 4 2084 1 1 26 PHE HB2 H 4.172 3.808 16.572 1.00 . A A . 26 PHE HB2 1 1 4 2085 1 1 26 PHE HB3 H 5.145 4.594 15.333 1.00 . A A . 26 PHE HB3 1 1 4 2086 1 1 26 PHE HD1 H 5.259 4.270 19.053 1.00 . A A . 26 PHE HD1 1 1 4 2087 1 1 26 PHE HD2 H 7.349 3.993 15.356 1.00 . A A . 26 PHE HD2 1 1 4 2088 1 1 26 PHE HE1 H 7.305 3.629 20.261 1.00 . A A . 26 PHE HE1 1 1 4 2089 1 1 26 PHE HE2 H 9.397 3.350 16.557 1.00 . A A . 26 PHE HE2 1 1 4 2090 1 1 26 PHE HZ H 9.377 3.166 19.013 1.00 . A A . 26 PHE HZ 1 1 4 2091 1 1 26 PHE N N 3.964 5.896 18.217 1.00 . A A . 26 PHE N 1 1 4 2092 1 1 26 PHE O O 2.069 6.531 16.408 1.00 . A A . 26 PHE O 1 1 4 2093 1 1 27 HIS C C 2.462 5.840 12.424 1.00 . A A . 27 HIS C 1 1 4 2094 1 1 27 HIS CA C 2.385 6.728 13.662 1.00 . A A . 27 HIS CA 1 1 4 2095 1 1 27 HIS CB C 2.510 8.198 13.257 1.00 . A A . 27 HIS CB 1 1 4 2096 1 1 27 HIS CD2 C 4.831 8.604 12.173 1.00 . A A . 27 HIS CD2 1 1 4 2097 1 1 27 HIS CE1 C 5.796 9.625 13.856 1.00 . A A . 27 HIS CE1 1 1 4 2098 1 1 27 HIS CG C 3.926 8.678 13.177 1.00 . A A . 27 HIS CG 1 1 4 2099 1 1 27 HIS H H 4.331 6.186 14.294 1.00 . A A . 27 HIS H 1 1 4 2100 1 1 27 HIS HA H 1.429 6.576 14.140 1.00 . A A . 27 HIS HA 1 1 4 2101 1 1 27 HIS HB2 H 2.058 8.337 12.286 1.00 . A A . 27 HIS HB2 1 1 4 2102 1 1 27 HIS HB3 H 1.991 8.809 13.981 1.00 . A A . 27 HIS HB3 1 1 4 2103 1 1 27 HIS HD1 H 4.167 9.528 15.090 1.00 . A A . 27 HIS HD1 1 1 4 2104 1 1 27 HIS HD2 H 4.675 8.160 11.200 1.00 . A A . 27 HIS HD2 1 1 4 2105 1 1 27 HIS HE1 H 6.527 10.133 14.467 1.00 . A A . 27 HIS HE1 1 1 4 2106 1 1 27 HIS N N 3.426 6.376 14.620 1.00 . A A . 27 HIS N 1 1 4 2107 1 1 27 HIS ND1 N 4.562 9.322 14.218 1.00 . A A . 27 HIS ND1 1 1 4 2108 1 1 27 HIS NE2 N 5.985 9.200 12.620 1.00 . A A . 27 HIS NE2 1 1 4 2109 1 1 27 HIS O O 3.533 5.655 11.846 1.00 . A A . 27 HIS O 1 1 4 2110 1 1 28 ASP C C 1.705 5.166 9.600 1.00 . A A . 28 ASP C 1 1 4 2111 1 1 28 ASP CA C 1.258 4.422 10.854 1.00 . A A . 28 ASP CA 1 1 4 2112 1 1 28 ASP CB C -0.162 3.886 10.666 1.00 . A A . 28 ASP CB 1 1 4 2113 1 1 28 ASP CG C -0.365 3.250 9.304 1.00 . A A . 28 ASP CG 1 1 4 2114 1 1 28 ASP H H 0.499 5.477 12.526 1.00 . A A . 28 ASP H 1 1 4 2115 1 1 28 ASP HA H 1.927 3.592 11.023 1.00 . A A . 28 ASP HA 1 1 4 2116 1 1 28 ASP HB2 H -0.362 3.141 11.423 1.00 . A A . 28 ASP HB2 1 1 4 2117 1 1 28 ASP HB3 H -0.864 4.699 10.772 1.00 . A A . 28 ASP HB3 1 1 4 2118 1 1 28 ASP N N 1.320 5.291 12.023 1.00 . A A . 28 ASP N 1 1 4 2119 1 1 28 ASP O O 1.049 6.110 9.158 1.00 . A A . 28 ASP O 1 1 4 2120 1 1 28 ASP OD1 O -1.529 3.155 8.861 1.00 . A A . 28 ASP OD1 1 1 4 2121 1 1 28 ASP OD2 O 0.640 2.849 8.682 1.00 . A A . 28 ASP OD2 1 1 4 2122 1 1 29 CYS C C 3.425 4.360 6.676 1.00 . A A . 29 CYS C 1 1 4 2123 1 1 29 CYS CA C 3.362 5.360 7.827 1.00 . A A . 29 CYS CA 1 1 4 2124 1 1 29 CYS CB C 4.756 5.928 8.101 1.00 . A A . 29 CYS CB 1 1 4 2125 1 1 29 CYS H H 3.304 3.977 9.429 1.00 . A A . 29 CYS H 1 1 4 2126 1 1 29 CYS HA H 2.702 6.168 7.550 1.00 . A A . 29 CYS HA 1 1 4 2127 1 1 29 CYS HB2 H 5.245 6.131 7.159 1.00 . A A . 29 CYS HB2 1 1 4 2128 1 1 29 CYS HB3 H 4.658 6.849 8.656 1.00 . A A . 29 CYS HB3 1 1 4 2129 1 1 29 CYS N N 2.825 4.735 9.030 1.00 . A A . 29 CYS N 1 1 4 2130 1 1 29 CYS O O 4.225 4.509 5.754 1.00 . A A . 29 CYS O 1 1 4 2131 1 1 29 CYS SG S 5.837 4.816 9.056 1.00 . A A . 29 CYS SG 1 1 4 2132 1 1 30 GLY C C 2.348 2.926 4.317 1.00 . A A . 30 GLY C 1 1 4 2133 1 1 30 GLY CA C 2.550 2.330 5.696 1.00 . A A . 30 GLY CA 1 1 4 2134 1 1 30 GLY H H 1.959 3.272 7.498 1.00 . A A . 30 GLY H 1 1 4 2135 1 1 30 GLY HA2 H 3.485 1.790 5.711 1.00 . A A . 30 GLY HA2 1 1 4 2136 1 1 30 GLY HA3 H 1.744 1.640 5.899 1.00 . A A . 30 GLY HA3 1 1 4 2137 1 1 30 GLY N N 2.575 3.340 6.738 1.00 . A A . 30 GLY N 1 1 4 2138 1 1 30 GLY O O 2.510 2.240 3.308 1.00 . A A . 30 GLY O 1 1 4 2139 1 1 31 SER C C 2.865 4.567 2.005 1.00 . A A . 31 SER C 1 1 4 2140 1 1 31 SER CA C 1.761 4.892 3.007 1.00 . A A . 31 SER CA 1 1 4 2141 1 1 31 SER CB C 1.687 6.404 3.228 1.00 . A A . 31 SER CB 1 1 4 2142 1 1 31 SER H H 1.878 4.699 5.112 1.00 . A A . 31 SER H 1 1 4 2143 1 1 31 SER HA H 0.818 4.548 2.610 1.00 . A A . 31 SER HA 1 1 4 2144 1 1 31 SER HB2 H 0.875 6.626 3.904 1.00 . A A . 31 SER HB2 1 1 4 2145 1 1 31 SER HB3 H 2.617 6.748 3.657 1.00 . A A . 31 SER HB3 1 1 4 2146 1 1 31 SER HG H 1.185 7.987 2.190 1.00 . A A . 31 SER HG 1 1 4 2147 1 1 31 SER N N 1.991 4.205 4.273 1.00 . A A . 31 SER N 1 1 4 2148 1 1 31 SER O O 2.643 3.846 1.032 1.00 . A A . 31 SER O 1 1 4 2149 1 1 31 SER OG O 1.465 7.088 2.007 1.00 . A A . 31 SER OG 1 1 4 2150 1 1 32 ASP C C 6.216 3.956 2.036 1.00 . A A . 32 ASP C 1 1 4 2151 1 1 32 ASP CA C 5.195 4.872 1.371 1.00 . A A . 32 ASP CA 1 1 4 2152 1 1 32 ASP CB C 5.853 6.200 0.992 1.00 . A A . 32 ASP CB 1 1 4 2153 1 1 32 ASP CG C 5.891 7.178 2.149 1.00 . A A . 32 ASP CG 1 1 4 2154 1 1 32 ASP H H 4.169 5.671 3.042 1.00 . A A . 32 ASP H 1 1 4 2155 1 1 32 ASP HA H 4.830 4.393 0.475 1.00 . A A . 32 ASP HA 1 1 4 2156 1 1 32 ASP HB2 H 6.867 6.013 0.669 1.00 . A A . 32 ASP HB2 1 1 4 2157 1 1 32 ASP HB3 H 5.299 6.650 0.181 1.00 . A A . 32 ASP HB3 1 1 4 2158 1 1 32 ASP N N 4.055 5.105 2.250 1.00 . A A . 32 ASP N 1 1 4 2159 1 1 32 ASP O O 7.417 4.057 1.780 1.00 . A A . 32 ASP O 1 1 4 2160 1 1 32 ASP OD1 O 5.543 8.359 1.941 1.00 . A A . 32 ASP OD1 1 1 4 2161 1 1 32 ASP OD2 O 6.269 6.762 3.265 1.00 . A A . 32 ASP OD2 1 1 4 2162 1 1 33 HIS C C 5.887 0.805 3.854 1.00 . A A . 33 HIS C 1 1 4 2163 1 1 33 HIS CA C 6.604 2.126 3.595 1.00 . A A . 33 HIS CA 1 1 4 2164 1 1 33 HIS CB C 7.075 2.732 4.918 1.00 . A A . 33 HIS CB 1 1 4 2165 1 1 33 HIS CD2 C 8.742 4.507 4.026 1.00 . A A . 33 HIS CD2 1 1 4 2166 1 1 33 HIS CE1 C 7.965 6.249 5.108 1.00 . A A . 33 HIS CE1 1 1 4 2167 1 1 33 HIS CG C 7.691 4.089 4.769 1.00 . A A . 33 HIS CG 1 1 4 2168 1 1 33 HIS H H 4.767 3.029 3.054 1.00 . A A . 33 HIS H 1 1 4 2169 1 1 33 HIS HA H 7.463 1.939 2.969 1.00 . A A . 33 HIS HA 1 1 4 2170 1 1 33 HIS HB2 H 6.231 2.823 5.585 1.00 . A A . 33 HIS HB2 1 1 4 2171 1 1 33 HIS HB3 H 7.812 2.079 5.363 1.00 . A A . 33 HIS HB3 1 1 4 2172 1 1 33 HIS HD1 H 6.469 5.224 6.056 1.00 . A A . 33 HIS HD1 1 1 4 2173 1 1 33 HIS HD2 H 9.351 3.897 3.374 1.00 . A A . 33 HIS HD2 1 1 4 2174 1 1 33 HIS HE1 H 7.834 7.255 5.475 1.00 . A A . 33 HIS HE1 1 1 4 2175 1 1 33 HIS N N 5.732 3.061 2.892 1.00 . A A . 33 HIS N 1 1 4 2176 1 1 33 HIS ND1 N 7.228 5.203 5.436 1.00 . A A . 33 HIS ND1 1 1 4 2177 1 1 33 HIS NE2 N 8.892 5.853 4.254 1.00 . A A . 33 HIS NE2 1 1 4 2178 1 1 33 HIS O O 4.841 0.772 4.504 1.00 . A A . 33 HIS O 1 1 4 2179 1 1 34 TRP C C 6.812 -2.521 4.288 1.00 . A A . 34 TRP C 1 1 4 2180 1 1 34 TRP CA C 5.868 -1.605 3.517 1.00 . A A . 34 TRP CA 1 1 4 2181 1 1 34 TRP CB C 5.536 -2.222 2.157 1.00 . A A . 34 TRP CB 1 1 4 2182 1 1 34 TRP CD1 C 6.149 -1.100 -0.064 1.00 . A A . 34 TRP CD1 1 1 4 2183 1 1 34 TRP CD2 C 7.881 -2.037 1.003 1.00 . A A . 34 TRP CD2 1 1 4 2184 1 1 34 TRP CE2 C 8.349 -1.459 -0.194 1.00 . A A . 34 TRP CE2 1 1 4 2185 1 1 34 TRP CE3 C 8.794 -2.683 1.841 1.00 . A A . 34 TRP CE3 1 1 4 2186 1 1 34 TRP CG C 6.471 -1.795 1.067 1.00 . A A . 34 TRP CG 1 1 4 2187 1 1 34 TRP CH2 C 10.560 -2.150 0.269 1.00 . A A . 34 TRP CH2 1 1 4 2188 1 1 34 TRP CZ2 C 9.688 -1.511 -0.571 1.00 . A A . 34 TRP CZ2 1 1 4 2189 1 1 34 TRP CZ3 C 10.123 -2.733 1.465 1.00 . A A . 34 TRP CZ3 1 1 4 2190 1 1 34 TRP H H 7.288 -0.190 2.833 1.00 . A A . 34 TRP H 1 1 4 2191 1 1 34 TRP HA H 4.955 -1.490 4.082 1.00 . A A . 34 TRP HA 1 1 4 2192 1 1 34 TRP HB2 H 5.585 -3.298 2.236 1.00 . A A . 34 TRP HB2 1 1 4 2193 1 1 34 TRP HB3 H 4.535 -1.931 1.873 1.00 . A A . 34 TRP HB3 1 1 4 2194 1 1 34 TRP HD1 H 5.152 -0.768 -0.310 1.00 . A A . 34 TRP HD1 1 1 4 2195 1 1 34 TRP HE1 H 7.300 -0.420 -1.684 1.00 . A A . 34 TRP HE1 1 1 4 2196 1 1 34 TRP HE3 H 8.476 -3.138 2.767 1.00 . A A . 34 TRP HE3 1 1 4 2197 1 1 34 TRP HH2 H 11.607 -2.214 0.015 1.00 . A A . 34 TRP HH2 1 1 4 2198 1 1 34 TRP HZ2 H 10.041 -1.066 -1.489 1.00 . A A . 34 TRP HZ2 1 1 4 2199 1 1 34 TRP HZ3 H 10.843 -3.229 2.100 1.00 . A A . 34 TRP HZ3 1 1 4 2200 1 1 34 TRP N N 6.454 -0.281 3.342 1.00 . A A . 34 TRP N 1 1 4 2201 1 1 34 TRP NE1 N 7.273 -0.895 -0.827 1.00 . A A . 34 TRP NE1 1 1 4 2202 1 1 34 TRP O O 7.970 -2.176 4.527 1.00 . A A . 34 TRP O 1 1 4 2203 1 1 35 CYS C C 7.513 -5.828 4.531 1.00 . A A . 35 CYS C 1 1 4 2204 1 1 35 CYS CA C 7.110 -4.655 5.420 1.00 . A A . 35 CYS CA 1 1 4 2205 1 1 35 CYS CB C 6.331 -5.164 6.634 1.00 . A A . 35 CYS CB 1 1 4 2206 1 1 35 CYS H H 5.381 -3.907 4.455 1.00 . A A . 35 CYS H 1 1 4 2207 1 1 35 CYS HA H 8.004 -4.154 5.761 1.00 . A A . 35 CYS HA 1 1 4 2208 1 1 35 CYS HB2 H 5.286 -5.247 6.372 1.00 . A A . 35 CYS HB2 1 1 4 2209 1 1 35 CYS HB3 H 6.706 -6.139 6.909 1.00 . A A . 35 CYS HB3 1 1 4 2210 1 1 35 CYS N N 6.312 -3.689 4.675 1.00 . A A . 35 CYS N 1 1 4 2211 1 1 35 CYS O O 7.045 -5.952 3.399 1.00 . A A . 35 CYS O 1 1 4 2212 1 1 35 CYS SG S 6.450 -4.089 8.099 1.00 . A A . 35 CYS SG 1 1 4 2213 1 1 36 ASP C C 7.676 -8.604 3.689 1.00 . A A . 36 ASP C 1 1 4 2214 1 1 36 ASP CA C 8.849 -7.850 4.308 1.00 . A A . 36 ASP CA 1 1 4 2215 1 1 36 ASP CB C 9.645 -8.782 5.222 1.00 . A A . 36 ASP CB 1 1 4 2216 1 1 36 ASP CG C 11.117 -8.421 5.277 1.00 . A A . 36 ASP CG 1 1 4 2217 1 1 36 ASP H H 8.721 -6.532 5.960 1.00 . A A . 36 ASP H 1 1 4 2218 1 1 36 ASP HA H 9.494 -7.501 3.515 1.00 . A A . 36 ASP HA 1 1 4 2219 1 1 36 ASP HB2 H 9.242 -8.724 6.223 1.00 . A A . 36 ASP HB2 1 1 4 2220 1 1 36 ASP HB3 H 9.555 -9.795 4.859 1.00 . A A . 36 ASP HB3 1 1 4 2221 1 1 36 ASP N N 8.384 -6.685 5.052 1.00 . A A . 36 ASP N 1 1 4 2222 1 1 36 ASP O O 7.758 -9.079 2.557 1.00 . A A . 36 ASP O 1 1 4 2223 1 1 36 ASP OD1 O 11.570 -7.641 4.412 1.00 . A A . 36 ASP OD1 1 1 4 2224 1 1 36 ASP OD2 O 11.816 -8.917 6.185 1.00 . A A . 36 ASP OD2 1 1 4 2225 1 1 37 ALA C C 4.408 -8.432 3.330 1.00 . A A . 37 ALA C 1 1 4 2226 1 1 37 ALA CA C 5.395 -9.405 3.967 1.00 . A A . 37 ALA CA 1 1 4 2227 1 1 37 ALA CB C 4.733 -10.158 5.110 1.00 . A A . 37 ALA CB 1 1 4 2228 1 1 37 ALA H H 6.580 -8.310 5.335 1.00 . A A . 37 ALA H 1 1 4 2229 1 1 37 ALA HA H 5.704 -10.126 3.224 1.00 . A A . 37 ALA HA 1 1 4 2230 1 1 37 ALA HB1 H 4.402 -11.125 4.760 1.00 . A A . 37 ALA HB1 1 1 4 2231 1 1 37 ALA HB2 H 5.442 -10.290 5.913 1.00 . A A . 37 ALA HB2 1 1 4 2232 1 1 37 ALA HB3 H 3.884 -9.595 5.468 1.00 . A A . 37 ALA HB3 1 1 4 2233 1 1 37 ALA N N 6.585 -8.710 4.441 1.00 . A A . 37 ALA N 1 1 4 2234 1 1 37 ALA O O 3.993 -7.457 3.955 1.00 . A A . 37 ALA O 1 1 4 2235 1 1 38 SER C C 1.766 -7.766 2.091 1.00 . A A . 38 SER C 1 1 4 2236 1 1 38 SER CA C 3.103 -7.850 1.360 1.00 . A A . 38 SER CA 1 1 4 2237 1 1 38 SER CB C 2.888 -8.379 -0.060 1.00 . A A . 38 SER CB 1 1 4 2238 1 1 38 SER H H 4.403 -9.497 1.638 1.00 . A A . 38 SER H 1 1 4 2239 1 1 38 SER HA H 3.532 -6.861 1.305 1.00 . A A . 38 SER HA 1 1 4 2240 1 1 38 SER HB2 H 2.117 -7.800 -0.544 1.00 . A A . 38 SER HB2 1 1 4 2241 1 1 38 SER HB3 H 3.809 -8.290 -0.617 1.00 . A A . 38 SER HB3 1 1 4 2242 1 1 38 SER HG H 2.009 -9.923 0.765 1.00 . A A . 38 SER HG 1 1 4 2243 1 1 38 SER N N 4.037 -8.704 2.083 1.00 . A A . 38 SER N 1 1 4 2244 1 1 38 SER O O 0.801 -8.433 1.721 1.00 . A A . 38 SER O 1 1 4 2245 1 1 38 SER OG O 2.495 -9.740 -0.042 1.00 . A A . 38 SER OG 1 1 4 2246 1 1 39 GLY C C 0.719 -6.028 5.195 1.00 . A A . 39 GLY C 1 1 4 2247 1 1 39 GLY CA C 0.497 -6.784 3.900 1.00 . A A . 39 GLY CA 1 1 4 2248 1 1 39 GLY H H 2.520 -6.434 3.381 1.00 . A A . 39 GLY H 1 1 4 2249 1 1 39 GLY HA2 H -0.225 -6.249 3.302 1.00 . A A . 39 GLY HA2 1 1 4 2250 1 1 39 GLY HA3 H 0.103 -7.763 4.131 1.00 . A A . 39 GLY HA3 1 1 4 2251 1 1 39 GLY N N 1.719 -6.941 3.132 1.00 . A A . 39 GLY N 1 1 4 2252 1 1 39 GLY O O -0.217 -5.460 5.758 1.00 . A A . 39 GLY O 1 1 4 2253 1 1 40 ASP C C 2.708 -3.886 6.628 1.00 . A A . 40 ASP C 1 1 4 2254 1 1 40 ASP CA C 2.302 -5.330 6.907 1.00 . A A . 40 ASP CA 1 1 4 2255 1 1 40 ASP CB C 3.435 -6.062 7.628 1.00 . A A . 40 ASP CB 1 1 4 2256 1 1 40 ASP CG C 2.923 -7.083 8.624 1.00 . A A . 40 ASP CG 1 1 4 2257 1 1 40 ASP H H 2.663 -6.493 5.174 1.00 . A A . 40 ASP H 1 1 4 2258 1 1 40 ASP HA H 1.427 -5.330 7.539 1.00 . A A . 40 ASP HA 1 1 4 2259 1 1 40 ASP HB2 H 4.047 -6.573 6.899 1.00 . A A . 40 ASP HB2 1 1 4 2260 1 1 40 ASP HB3 H 4.040 -5.341 8.157 1.00 . A A . 40 ASP HB3 1 1 4 2261 1 1 40 ASP N N 1.960 -6.022 5.669 1.00 . A A . 40 ASP N 1 1 4 2262 1 1 40 ASP O O 3.515 -3.619 5.738 1.00 . A A . 40 ASP O 1 1 4 2263 1 1 40 ASP OD1 O 2.561 -8.200 8.196 1.00 . A A . 40 ASP OD1 1 1 4 2264 1 1 40 ASP OD2 O 2.886 -6.767 9.831 1.00 . A A . 40 ASP OD2 1 1 4 2265 1 1 41 ARG C C 3.537 -1.103 8.196 1.00 . A A . 41 ARG C 1 1 4 2266 1 1 41 ARG CA C 2.442 -1.543 7.228 1.00 . A A . 41 ARG CA 1 1 4 2267 1 1 41 ARG CB C 1.183 -0.703 7.449 1.00 . A A . 41 ARG CB 1 1 4 2268 1 1 41 ARG CD C -1.057 -0.516 8.573 1.00 . A A . 41 ARG CD 1 1 4 2269 1 1 41 ARG CG C 0.068 -1.452 8.161 1.00 . A A . 41 ARG CG 1 1 4 2270 1 1 41 ARG CZ C -2.220 0.173 6.520 1.00 . A A . 41 ARG CZ 1 1 4 2271 1 1 41 ARG H H 1.505 -3.235 8.087 1.00 . A A . 41 ARG H 1 1 4 2272 1 1 41 ARG HA H 2.791 -1.394 6.217 1.00 . A A . 41 ARG HA 1 1 4 2273 1 1 41 ARG HB2 H 1.441 0.163 8.042 1.00 . A A . 41 ARG HB2 1 1 4 2274 1 1 41 ARG HB3 H 0.811 -0.375 6.490 1.00 . A A . 41 ARG HB3 1 1 4 2275 1 1 41 ARG HD2 H -1.413 -0.810 9.549 1.00 . A A . 41 ARG HD2 1 1 4 2276 1 1 41 ARG HD3 H -0.671 0.491 8.620 1.00 . A A . 41 ARG HD3 1 1 4 2277 1 1 41 ARG HE H -2.922 -1.149 7.838 1.00 . A A . 41 ARG HE 1 1 4 2278 1 1 41 ARG HG2 H -0.329 -2.204 7.496 1.00 . A A . 41 ARG HG2 1 1 4 2279 1 1 41 ARG HG3 H 0.472 -1.926 9.044 1.00 . A A . 41 ARG HG3 1 1 4 2280 1 1 41 ARG HH11 H -0.428 1.057 6.819 1.00 . A A . 41 ARG HH11 1 1 4 2281 1 1 41 ARG HH12 H -1.259 1.533 5.375 1.00 . A A . 41 ARG HH12 1 1 4 2282 1 1 41 ARG HH21 H -4.025 -0.530 5.940 1.00 . A A . 41 ARG HH21 1 1 4 2283 1 1 41 ARG HH22 H -3.305 0.631 4.877 1.00 . A A . 41 ARG HH22 1 1 4 2284 1 1 41 ARG N N 2.141 -2.960 7.394 1.00 . A A . 41 ARG N 1 1 4 2285 1 1 41 ARG NE N -2.172 -0.553 7.631 1.00 . A A . 41 ARG NE 1 1 4 2286 1 1 41 ARG NH1 N -1.221 0.988 6.213 1.00 . A A . 41 ARG NH1 1 1 4 2287 1 1 41 ARG NH2 N -3.269 0.084 5.712 1.00 . A A . 41 ARG NH2 1 1 4 2288 1 1 41 ARG O O 3.479 -1.397 9.391 1.00 . A A . 41 ARG O 1 1 4 2289 1 1 42 CYS C C 5.250 1.351 9.247 1.00 . A A . 42 CYS C 1 1 4 2290 1 1 42 CYS CA C 5.641 0.085 8.489 1.00 . A A . 42 CYS CA 1 1 4 2291 1 1 42 CYS CB C 6.865 0.359 7.614 1.00 . A A . 42 CYS CB 1 1 4 2292 1 1 42 CYS H H 4.523 -0.192 6.714 1.00 . A A . 42 CYS H 1 1 4 2293 1 1 42 CYS HA H 5.886 -0.686 9.204 1.00 . A A . 42 CYS HA 1 1 4 2294 1 1 42 CYS HB2 H 6.535 0.623 6.619 1.00 . A A . 42 CYS HB2 1 1 4 2295 1 1 42 CYS HB3 H 7.421 1.184 8.034 1.00 . A A . 42 CYS HB3 1 1 4 2296 1 1 42 CYS N N 4.533 -0.396 7.673 1.00 . A A . 42 CYS N 1 1 4 2297 1 1 42 CYS O O 4.753 2.311 8.658 1.00 . A A . 42 CYS O 1 1 4 2298 1 1 42 CYS SG S 8.002 -1.056 7.461 1.00 . A A . 42 CYS SG 1 1 4 2299 1 1 43 CYS C C 6.367 3.391 11.585 1.00 . A A . 43 CYS C 1 1 4 2300 1 1 43 CYS CA C 5.150 2.491 11.395 1.00 . A A . 43 CYS CA 1 1 4 2301 1 1 43 CYS CB C 4.631 2.021 12.755 1.00 . A A . 43 CYS CB 1 1 4 2302 1 1 43 CYS H H 5.876 0.549 10.968 1.00 . A A . 43 CYS H 1 1 4 2303 1 1 43 CYS HA H 4.374 3.054 10.899 1.00 . A A . 43 CYS HA 1 1 4 2304 1 1 43 CYS HB2 H 5.232 1.190 13.094 1.00 . A A . 43 CYS HB2 1 1 4 2305 1 1 43 CYS HB3 H 4.716 2.832 13.464 1.00 . A A . 43 CYS HB3 1 1 4 2306 1 1 43 CYS N N 5.477 1.345 10.556 1.00 . A A . 43 CYS N 1 1 4 2307 1 1 43 CYS O O 7.504 2.972 11.367 1.00 . A A . 43 CYS O 1 1 4 2308 1 1 43 CYS SG S 2.892 1.477 12.741 1.00 . A A . 43 CYS SG 1 1 4 2309 1 1 44 CYS C C 6.975 6.364 13.513 1.00 . A A . 44 CYS C 1 1 4 2310 1 1 44 CYS CA C 7.194 5.592 12.215 1.00 . A A . 44 CYS CA 1 1 4 2311 1 1 44 CYS CB C 7.285 6.566 11.039 1.00 . A A . 44 CYS CB 1 1 4 2312 1 1 44 CYS H H 5.192 4.907 12.152 1.00 . A A . 44 CYS H 1 1 4 2313 1 1 44 CYS HA H 8.120 5.043 12.290 1.00 . A A . 44 CYS HA 1 1 4 2314 1 1 44 CYS HB2 H 6.365 7.129 10.976 1.00 . A A . 44 CYS HB2 1 1 4 2315 1 1 44 CYS HB3 H 8.106 7.247 11.207 1.00 . A A . 44 CYS HB3 1 1 4 2316 1 1 44 CYS N N 6.120 4.631 11.995 1.00 . A A . 44 CYS N 1 1 4 2317 1 1 44 CYS O O 5.891 6.894 13.757 1.00 . A A . 44 CYS O 1 1 4 2318 1 1 44 CYS SG S 7.552 5.761 9.427 1.00 . A A . 44 CYS SG 1 1 4 2319 1 1 45 ALA C C 8.089 8.636 15.415 1.00 . A A . 45 ALA C 1 1 4 2320 1 1 45 ALA CA C 7.934 7.132 15.614 1.00 . A A . 45 ALA CA 1 1 4 2321 1 1 45 ALA CB C 8.995 6.613 16.573 1.00 . A A . 45 ALA CB 1 1 4 2322 1 1 45 ALA H H 8.849 5.981 14.092 1.00 . A A . 45 ALA H 1 1 4 2323 1 1 45 ALA HA H 6.964 6.934 16.047 1.00 . A A . 45 ALA HA 1 1 4 2324 1 1 45 ALA HB1 H 9.270 5.606 16.294 1.00 . A A . 45 ALA HB1 1 1 4 2325 1 1 45 ALA HB2 H 9.865 7.250 16.526 1.00 . A A . 45 ALA HB2 1 1 4 2326 1 1 45 ALA HB3 H 8.602 6.613 17.579 1.00 . A A . 45 ALA HB3 1 1 4 2327 1 1 45 ALA N N 8.012 6.423 14.342 1.00 . A A . 45 ALA N 1 1 4 2328 1 1 45 ALA O O 7.719 9.428 16.282 1.00 . A A . 45 ALA O 1 1 5 2329 1 1 1 CYS C C 2.670 -1.446 -1.690 1.00 . A A . 1 CYS C 1 1 5 2330 1 1 1 CYS CA C 1.972 -0.096 -1.553 1.00 . A A . 1 CYS CA 1 1 5 2331 1 1 1 CYS CB C 3.012 1.015 -1.399 1.00 . A A . 1 CYS CB 1 1 5 2332 1 1 1 CYS HA H 1.392 0.087 -2.445 1.00 . A A . 1 CYS HA 1 1 5 2333 1 1 1 CYS HB2 H 3.845 0.811 -2.056 1.00 . A A . 1 CYS HB2 1 1 5 2334 1 1 1 CYS HB3 H 2.565 1.958 -1.676 1.00 . A A . 1 CYS HB3 1 1 5 2335 1 1 1 CYS N N 1.059 -0.095 -0.417 1.00 . A A . 1 CYS N 1 1 5 2336 1 1 1 CYS O O 2.839 -2.171 -0.709 1.00 . A A . 1 CYS O 1 1 5 2337 1 1 1 CYS SG S 3.671 1.187 0.291 1.00 . A A . 1 CYS SG 1 1 5 2338 1 1 2 TYR C C 5.245 -2.926 -2.900 1.00 . A A . 2 TYR C 1 1 5 2339 1 1 2 TYR CA C 3.750 -3.041 -3.177 1.00 . A A . 2 TYR CA 1 1 5 2340 1 1 2 TYR CB C 3.520 -3.472 -4.627 1.00 . A A . 2 TYR CB 1 1 5 2341 1 1 2 TYR CD1 C 1.686 -5.096 -4.015 1.00 . A A . 2 TYR CD1 1 1 5 2342 1 1 2 TYR CD2 C 3.305 -5.782 -5.624 1.00 . A A . 2 TYR CD2 1 1 5 2343 1 1 2 TYR CE1 C 1.047 -6.316 -4.131 1.00 . A A . 2 TYR CE1 1 1 5 2344 1 1 2 TYR CE2 C 2.672 -7.004 -5.747 1.00 . A A . 2 TYR CE2 1 1 5 2345 1 1 2 TYR CG C 2.824 -4.808 -4.758 1.00 . A A . 2 TYR CG 1 1 5 2346 1 1 2 TYR CZ C 1.544 -7.266 -4.999 1.00 . A A . 2 TYR CZ 1 1 5 2347 1 1 2 TYR H H 2.909 -1.158 -3.653 1.00 . A A . 2 TYR H 1 1 5 2348 1 1 2 TYR HA H 3.329 -3.787 -2.519 1.00 . A A . 2 TYR HA 1 1 5 2349 1 1 2 TYR HB2 H 2.911 -2.732 -5.123 1.00 . A A . 2 TYR HB2 1 1 5 2350 1 1 2 TYR HB3 H 4.473 -3.543 -5.129 1.00 . A A . 2 TYR HB3 1 1 5 2351 1 1 2 TYR HD1 H 1.299 -4.350 -3.336 1.00 . A A . 2 TYR HD1 1 1 5 2352 1 1 2 TYR HD2 H 4.190 -5.573 -6.208 1.00 . A A . 2 TYR HD2 1 1 5 2353 1 1 2 TYR HE1 H 0.163 -6.521 -3.546 1.00 . A A . 2 TYR HE1 1 1 5 2354 1 1 2 TYR HE2 H 3.062 -7.748 -6.426 1.00 . A A . 2 TYR HE2 1 1 5 2355 1 1 2 TYR HH H 0.632 -8.784 -4.250 1.00 . A A . 2 TYR HH 1 1 5 2356 1 1 2 TYR N N 3.072 -1.777 -2.911 1.00 . A A . 2 TYR N 1 1 5 2357 1 1 2 TYR O O 5.821 -1.837 -2.900 1.00 . A A . 2 TYR O 1 1 5 2358 1 1 2 TYR OH O 0.911 -8.482 -5.118 1.00 . A A . 2 TYR OH 1 1 5 2359 1 1 3 PRO C C 8.173 -3.802 -3.602 1.00 . A A . 3 PRO C 1 1 5 2360 1 1 3 PRO CA C 7.329 -4.133 -2.377 1.00 . A A . 3 PRO CA 1 1 5 2361 1 1 3 PRO CB C 7.550 -5.587 -1.952 1.00 . A A . 3 PRO CB 1 1 5 2362 1 1 3 PRO CD C 5.268 -5.410 -2.643 1.00 . A A . 3 PRO CD 1 1 5 2363 1 1 3 PRO CG C 6.446 -6.344 -2.605 1.00 . A A . 3 PRO CG 1 1 5 2364 1 1 3 PRO HA H 7.600 -3.473 -1.565 1.00 . A A . 3 PRO HA 1 1 5 2365 1 1 3 PRO HB2 H 8.518 -5.922 -2.296 1.00 . A A . 3 PRO HB2 1 1 5 2366 1 1 3 PRO HB3 H 7.498 -5.663 -0.876 1.00 . A A . 3 PRO HB3 1 1 5 2367 1 1 3 PRO HD2 H 4.685 -5.574 -3.537 1.00 . A A . 3 PRO HD2 1 1 5 2368 1 1 3 PRO HD3 H 4.656 -5.539 -1.762 1.00 . A A . 3 PRO HD3 1 1 5 2369 1 1 3 PRO HG2 H 6.735 -6.624 -3.607 1.00 . A A . 3 PRO HG2 1 1 5 2370 1 1 3 PRO HG3 H 6.209 -7.222 -2.023 1.00 . A A . 3 PRO HG3 1 1 5 2371 1 1 3 PRO N N 5.891 -4.076 -2.659 1.00 . A A . 3 PRO N 1 1 5 2372 1 1 3 PRO O O 8.623 -4.696 -4.318 1.00 . A A . 3 PRO O 1 1 5 2373 1 1 4 GLY C C 8.449 -1.076 -5.844 1.00 . A A . 4 GLY C 1 1 5 2374 1 1 4 GLY CA C 9.177 -2.085 -4.978 1.00 . A A . 4 GLY CA 1 1 5 2375 1 1 4 GLY H H 8.003 -1.842 -3.233 1.00 . A A . 4 GLY H 1 1 5 2376 1 1 4 GLY HA2 H 10.094 -1.642 -4.621 1.00 . A A . 4 GLY HA2 1 1 5 2377 1 1 4 GLY HA3 H 9.417 -2.951 -5.578 1.00 . A A . 4 GLY HA3 1 1 5 2378 1 1 4 GLY N N 8.386 -2.511 -3.838 1.00 . A A . 4 GLY N 1 1 5 2379 1 1 4 GLY O O 8.880 -0.781 -6.958 1.00 . A A . 4 GLY O 1 1 5 2380 1 1 5 GLN C C 7.225 1.799 -6.049 1.00 . A A . 5 GLN C 1 1 5 2381 1 1 5 GLN CA C 6.552 0.431 -6.069 1.00 . A A . 5 GLN CA 1 1 5 2382 1 1 5 GLN CB C 5.145 0.532 -5.476 1.00 . A A . 5 GLN CB 1 1 5 2383 1 1 5 GLN CD C 2.859 -0.496 -5.793 1.00 . A A . 5 GLN CD 1 1 5 2384 1 1 5 GLN CG C 4.340 -0.752 -5.597 1.00 . A A . 5 GLN CG 1 1 5 2385 1 1 5 GLN H H 7.049 -0.825 -4.439 1.00 . A A . 5 GLN H 1 1 5 2386 1 1 5 GLN HA H 6.478 0.095 -7.092 1.00 . A A . 5 GLN HA 1 1 5 2387 1 1 5 GLN HB2 H 5.225 0.785 -4.430 1.00 . A A . 5 GLN HB2 1 1 5 2388 1 1 5 GLN HB3 H 4.608 1.317 -5.988 1.00 . A A . 5 GLN HB3 1 1 5 2389 1 1 5 GLN HE21 H 2.935 -1.303 -7.609 1.00 . A A . 5 GLN HE21 1 1 5 2390 1 1 5 GLN HE22 H 1.385 -0.728 -7.107 1.00 . A A . 5 GLN HE22 1 1 5 2391 1 1 5 GLN HG2 H 4.707 -1.314 -6.443 1.00 . A A . 5 GLN HG2 1 1 5 2392 1 1 5 GLN HG3 H 4.474 -1.331 -4.696 1.00 . A A . 5 GLN HG3 1 1 5 2393 1 1 5 GLN N N 7.342 -0.549 -5.332 1.00 . A A . 5 GLN N 1 1 5 2394 1 1 5 GLN NE2 N 2.340 -0.880 -6.954 1.00 . A A . 5 GLN NE2 1 1 5 2395 1 1 5 GLN O O 8.003 2.122 -5.151 1.00 . A A . 5 GLN O 1 1 5 2396 1 1 5 GLN OE1 O 2.188 0.042 -4.912 1.00 . A A . 5 GLN OE1 1 1 5 2397 1 1 6 PRO C C 6.949 4.923 -6.117 1.00 . A A . 6 PRO C 1 1 5 2398 1 1 6 PRO CA C 7.485 3.972 -7.182 1.00 . A A . 6 PRO CA 1 1 5 2399 1 1 6 PRO CB C 7.035 4.421 -8.575 1.00 . A A . 6 PRO CB 1 1 5 2400 1 1 6 PRO CD C 6.000 2.306 -8.166 1.00 . A A . 6 PRO CD 1 1 5 2401 1 1 6 PRO CG C 5.802 3.631 -8.848 1.00 . A A . 6 PRO CG 1 1 5 2402 1 1 6 PRO HA H 8.564 3.955 -7.138 1.00 . A A . 6 PRO HA 1 1 5 2403 1 1 6 PRO HB2 H 6.831 5.483 -8.565 1.00 . A A . 6 PRO HB2 1 1 5 2404 1 1 6 PRO HB3 H 7.810 4.205 -9.294 1.00 . A A . 6 PRO HB3 1 1 5 2405 1 1 6 PRO HD2 H 5.060 1.931 -7.789 1.00 . A A . 6 PRO HD2 1 1 5 2406 1 1 6 PRO HD3 H 6.446 1.594 -8.845 1.00 . A A . 6 PRO HD3 1 1 5 2407 1 1 6 PRO HG2 H 4.942 4.139 -8.439 1.00 . A A . 6 PRO HG2 1 1 5 2408 1 1 6 PRO HG3 H 5.685 3.491 -9.913 1.00 . A A . 6 PRO HG3 1 1 5 2409 1 1 6 PRO N N 6.920 2.624 -7.061 1.00 . A A . 6 PRO N 1 1 5 2410 1 1 6 PRO O O 5.996 5.663 -6.355 1.00 . A A . 6 PRO O 1 1 5 2411 1 1 7 GLY C C 7.063 5.033 -2.530 1.00 . A A . 7 GLY C 1 1 5 2412 1 1 7 GLY CA C 7.141 5.762 -3.857 1.00 . A A . 7 GLY CA 1 1 5 2413 1 1 7 GLY H H 8.324 4.286 -4.809 1.00 . A A . 7 GLY H 1 1 5 2414 1 1 7 GLY HA2 H 7.839 6.580 -3.766 1.00 . A A . 7 GLY HA2 1 1 5 2415 1 1 7 GLY HA3 H 6.165 6.159 -4.094 1.00 . A A . 7 GLY HA3 1 1 5 2416 1 1 7 GLY N N 7.569 4.897 -4.941 1.00 . A A . 7 GLY N 1 1 5 2417 1 1 7 GLY O O 6.660 5.609 -1.519 1.00 . A A . 7 GLY O 1 1 5 2418 1 1 8 CYS C C 8.710 2.155 -1.167 1.00 . A A . 8 CYS C 1 1 5 2419 1 1 8 CYS CA C 7.417 2.951 -1.321 1.00 . A A . 8 CYS CA 1 1 5 2420 1 1 8 CYS CB C 6.220 1.999 -1.348 1.00 . A A . 8 CYS CB 1 1 5 2421 1 1 8 CYS H H 7.758 3.356 -3.370 1.00 . A A . 8 CYS H 1 1 5 2422 1 1 8 CYS HA H 7.317 3.617 -0.478 1.00 . A A . 8 CYS HA 1 1 5 2423 1 1 8 CYS HB2 H 5.410 2.466 -1.890 1.00 . A A . 8 CYS HB2 1 1 5 2424 1 1 8 CYS HB3 H 6.505 1.088 -1.853 1.00 . A A . 8 CYS HB3 1 1 5 2425 1 1 8 CYS N N 7.447 3.761 -2.532 1.00 . A A . 8 CYS N 1 1 5 2426 1 1 8 CYS O O 9.369 1.824 -2.151 1.00 . A A . 8 CYS O 1 1 5 2427 1 1 8 CYS SG S 5.592 1.546 0.301 1.00 . A A . 8 CYS SG 1 1 5 2428 1 1 9 GLY C C 10.323 0.539 1.748 1.00 . A A . 9 GLY C 1 1 5 2429 1 1 9 GLY CA C 10.278 1.096 0.339 1.00 . A A . 9 GLY CA 1 1 5 2430 1 1 9 GLY H H 8.502 2.140 0.825 1.00 . A A . 9 GLY H 1 1 5 2431 1 1 9 GLY HA2 H 10.338 0.277 -0.363 1.00 . A A . 9 GLY HA2 1 1 5 2432 1 1 9 GLY HA3 H 11.130 1.744 0.193 1.00 . A A . 9 GLY HA3 1 1 5 2433 1 1 9 GLY N N 9.067 1.850 0.078 1.00 . A A . 9 GLY N 1 1 5 2434 1 1 9 GLY O O 9.376 0.703 2.518 1.00 . A A . 9 GLY O 1 1 5 2435 1 1 10 HIS C C 11.717 0.383 4.474 1.00 . A A . 10 HIS C 1 1 5 2436 1 1 10 HIS CA C 11.588 -0.706 3.414 1.00 . A A . 10 HIS CA 1 1 5 2437 1 1 10 HIS CB C 12.818 -1.614 3.446 1.00 . A A . 10 HIS CB 1 1 5 2438 1 1 10 HIS CD2 C 14.702 -0.358 2.180 1.00 . A A . 10 HIS CD2 1 1 5 2439 1 1 10 HIS CE1 C 16.013 0.058 3.888 1.00 . A A . 10 HIS CE1 1 1 5 2440 1 1 10 HIS CG C 14.112 -0.876 3.283 1.00 . A A . 10 HIS CG 1 1 5 2441 1 1 10 HIS H H 12.145 -0.220 1.430 1.00 . A A . 10 HIS H 1 1 5 2442 1 1 10 HIS HA H 10.710 -1.297 3.626 1.00 . A A . 10 HIS HA 1 1 5 2443 1 1 10 HIS HB2 H 12.850 -2.132 4.393 1.00 . A A . 10 HIS HB2 1 1 5 2444 1 1 10 HIS HB3 H 12.745 -2.338 2.647 1.00 . A A . 10 HIS HB3 1 1 5 2445 1 1 10 HIS HD1 H 14.808 -0.847 5.271 1.00 . A A . 10 HIS HD1 1 1 5 2446 1 1 10 HIS HD2 H 14.317 -0.390 1.171 1.00 . A A . 10 HIS HD2 1 1 5 2447 1 1 10 HIS HE1 H 16.842 0.406 4.486 1.00 . A A . 10 HIS HE1 1 1 5 2448 1 1 10 HIS N N 11.425 -0.122 2.087 1.00 . A A . 10 HIS N 1 1 5 2449 1 1 10 HIS ND1 N 14.959 -0.600 4.335 1.00 . A A . 10 HIS ND1 1 1 5 2450 1 1 10 HIS NE2 N 15.882 0.217 2.583 1.00 . A A . 10 HIS NE2 1 1 5 2451 1 1 10 HIS O O 12.618 1.219 4.415 1.00 . A A . 10 HIS O 1 1 5 2452 1 1 11 CYS C C 12.079 1.219 7.368 1.00 . A A . 11 CYS C 1 1 5 2453 1 1 11 CYS CA C 10.818 1.353 6.518 1.00 . A A . 11 CYS CA 1 1 5 2454 1 1 11 CYS CB C 9.577 1.192 7.398 1.00 . A A . 11 CYS CB 1 1 5 2455 1 1 11 CYS H H 10.113 -0.325 5.438 1.00 . A A . 11 CYS H 1 1 5 2456 1 1 11 CYS HA H 10.805 2.334 6.068 1.00 . A A . 11 CYS HA 1 1 5 2457 1 1 11 CYS HB2 H 9.624 1.907 8.207 1.00 . A A . 11 CYS HB2 1 1 5 2458 1 1 11 CYS HB3 H 8.696 1.385 6.804 1.00 . A A . 11 CYS HB3 1 1 5 2459 1 1 11 CYS N N 10.808 0.367 5.444 1.00 . A A . 11 CYS N 1 1 5 2460 1 1 11 CYS O O 12.751 0.188 7.341 1.00 . A A . 11 CYS O 1 1 5 2461 1 1 11 CYS SG S 9.398 -0.465 8.135 1.00 . A A . 11 CYS SG 1 1 5 2462 1 1 12 SER C C 13.347 3.132 10.214 1.00 . A A . 12 SER C 1 1 5 2463 1 1 12 SER CA C 13.574 2.270 8.976 1.00 . A A . 12 SER CA 1 1 5 2464 1 1 12 SER CB C 14.790 2.782 8.201 1.00 . A A . 12 SER CB 1 1 5 2465 1 1 12 SER H H 11.817 3.062 8.098 1.00 . A A . 12 SER H 1 1 5 2466 1 1 12 SER HA H 13.758 1.253 9.288 1.00 . A A . 12 SER HA 1 1 5 2467 1 1 12 SER HB2 H 14.493 3.030 7.193 1.00 . A A . 12 SER HB2 1 1 5 2468 1 1 12 SER HB3 H 15.180 3.663 8.689 1.00 . A A . 12 SER HB3 1 1 5 2469 1 1 12 SER HG H 16.534 2.120 7.604 1.00 . A A . 12 SER HG 1 1 5 2470 1 1 12 SER N N 12.392 2.269 8.121 1.00 . A A . 12 SER N 1 1 5 2471 1 1 12 SER O O 12.628 4.130 10.166 1.00 . A A . 12 SER O 1 1 5 2472 1 1 12 SER OG O 15.810 1.800 8.147 1.00 . A A . 12 SER OG 1 1 5 2473 1 1 13 ARG C C 13.845 4.978 12.326 1.00 . A A . 13 ARG C 1 1 5 2474 1 1 13 ARG CA C 13.830 3.473 12.575 1.00 . A A . 13 ARG CA 1 1 5 2475 1 1 13 ARG CB C 14.956 3.093 13.538 1.00 . A A . 13 ARG CB 1 1 5 2476 1 1 13 ARG CD C 15.087 1.848 15.717 1.00 . A A . 13 ARG CD 1 1 5 2477 1 1 13 ARG CG C 14.734 1.763 14.240 1.00 . A A . 13 ARG CG 1 1 5 2478 1 1 13 ARG CZ C 15.929 0.383 17.503 1.00 . A A . 13 ARG CZ 1 1 5 2479 1 1 13 ARG H H 14.524 1.934 11.299 1.00 . A A . 13 ARG H 1 1 5 2480 1 1 13 ARG HA H 12.883 3.203 13.018 1.00 . A A . 13 ARG HA 1 1 5 2481 1 1 13 ARG HB2 H 15.882 3.032 12.985 1.00 . A A . 13 ARG HB2 1 1 5 2482 1 1 13 ARG HB3 H 15.045 3.862 14.290 1.00 . A A . 13 ARG HB3 1 1 5 2483 1 1 13 ARG HD2 H 15.867 2.583 15.845 1.00 . A A . 13 ARG HD2 1 1 5 2484 1 1 13 ARG HD3 H 14.209 2.155 16.266 1.00 . A A . 13 ARG HD3 1 1 5 2485 1 1 13 ARG HE H 15.586 -0.192 15.624 1.00 . A A . 13 ARG HE 1 1 5 2486 1 1 13 ARG HG2 H 13.694 1.486 14.146 1.00 . A A . 13 ARG HG2 1 1 5 2487 1 1 13 ARG HG3 H 15.353 1.012 13.773 1.00 . A A . 13 ARG HG3 1 1 5 2488 1 1 13 ARG HH11 H 15.585 2.294 18.062 1.00 . A A . 13 ARG HH11 1 1 5 2489 1 1 13 ARG HH12 H 16.178 1.251 19.311 1.00 . A A . 13 ARG HH12 1 1 5 2490 1 1 13 ARG HH21 H 16.367 -1.575 17.261 1.00 . A A . 13 ARG HH21 1 1 5 2491 1 1 13 ARG HH22 H 16.624 -0.949 18.855 1.00 . A A . 13 ARG HH22 1 1 5 2492 1 1 13 ARG N N 13.965 2.738 11.323 1.00 . A A . 13 ARG N 1 1 5 2493 1 1 13 ARG NE N 15.553 0.567 16.243 1.00 . A A . 13 ARG NE 1 1 5 2494 1 1 13 ARG NH1 N 15.895 1.392 18.362 1.00 . A A . 13 ARG NH1 1 1 5 2495 1 1 13 ARG NH2 N 16.341 -0.812 17.906 1.00 . A A . 13 ARG NH2 1 1 5 2496 1 1 13 ARG O O 14.526 5.478 11.430 1.00 . A A . 13 ARG O 1 1 5 2497 1 1 14 PRO C C 11.084 4.332 13.665 1.00 . A A . 14 PRO C 1 1 5 2498 1 1 14 PRO CA C 12.260 5.137 14.207 1.00 . A A . 14 PRO CA 1 1 5 2499 1 1 14 PRO CB C 11.761 6.360 14.979 1.00 . A A . 14 PRO CB 1 1 5 2500 1 1 14 PRO CD C 12.943 7.185 13.072 1.00 . A A . 14 PRO CD 1 1 5 2501 1 1 14 PRO CG C 11.783 7.470 13.986 1.00 . A A . 14 PRO CG 1 1 5 2502 1 1 14 PRO HA H 12.851 4.512 14.861 1.00 . A A . 14 PRO HA 1 1 5 2503 1 1 14 PRO HB2 H 10.760 6.175 15.344 1.00 . A A . 14 PRO HB2 1 1 5 2504 1 1 14 PRO HB3 H 12.422 6.560 15.810 1.00 . A A . 14 PRO HB3 1 1 5 2505 1 1 14 PRO HD2 H 12.718 7.508 12.066 1.00 . A A . 14 PRO HD2 1 1 5 2506 1 1 14 PRO HD3 H 13.837 7.669 13.435 1.00 . A A . 14 PRO HD3 1 1 5 2507 1 1 14 PRO HG2 H 10.860 7.483 13.428 1.00 . A A . 14 PRO HG2 1 1 5 2508 1 1 14 PRO HG3 H 11.930 8.413 14.493 1.00 . A A . 14 PRO HG3 1 1 5 2509 1 1 14 PRO N N 13.076 5.720 13.137 1.00 . A A . 14 PRO N 1 1 5 2510 1 1 14 PRO O O 10.163 3.988 14.405 1.00 . A A . 14 PRO O 1 1 5 2511 1 1 15 ASN C C 10.274 1.773 11.920 1.00 . A A . 15 ASN C 1 1 5 2512 1 1 15 ASN CA C 10.057 3.271 11.730 1.00 . A A . 15 ASN CA 1 1 5 2513 1 1 15 ASN CB C 9.990 3.602 10.238 1.00 . A A . 15 ASN CB 1 1 5 2514 1 1 15 ASN CG C 10.283 5.063 9.956 1.00 . A A . 15 ASN CG 1 1 5 2515 1 1 15 ASN H H 11.883 4.338 11.832 1.00 . A A . 15 ASN H 1 1 5 2516 1 1 15 ASN HA H 9.124 3.550 12.194 1.00 . A A . 15 ASN HA 1 1 5 2517 1 1 15 ASN HB2 H 10.715 3.001 9.709 1.00 . A A . 15 ASN HB2 1 1 5 2518 1 1 15 ASN HB3 H 9.002 3.374 9.868 1.00 . A A . 15 ASN HB3 1 1 5 2519 1 1 15 ASN HD21 H 10.938 4.606 8.135 1.00 . A A . 15 ASN HD21 1 1 5 2520 1 1 15 ASN HD22 H 10.985 6.282 8.552 1.00 . A A . 15 ASN HD22 1 1 5 2521 1 1 15 ASN N N 11.122 4.035 12.370 1.00 . A A . 15 ASN N 1 1 5 2522 1 1 15 ASN ND2 N 10.786 5.346 8.760 1.00 . A A . 15 ASN ND2 1 1 5 2523 1 1 15 ASN O O 11.408 1.293 11.920 1.00 . A A . 15 ASN O 1 1 5 2524 1 1 15 ASN OD1 O 10.058 5.927 10.804 1.00 . A A . 15 ASN OD1 1 1 5 2525 1 1 16 TYR C C 8.091 -1.105 11.571 1.00 . A A . 16 TYR C 1 1 5 2526 1 1 16 TYR CA C 9.248 -0.405 12.276 1.00 . A A . 16 TYR CA 1 1 5 2527 1 1 16 TYR CB C 9.230 -0.743 13.768 1.00 . A A . 16 TYR CB 1 1 5 2528 1 1 16 TYR CD1 C 7.463 0.777 14.740 1.00 . A A . 16 TYR CD1 1 1 5 2529 1 1 16 TYR CD2 C 7.049 -1.570 14.733 1.00 . A A . 16 TYR CD2 1 1 5 2530 1 1 16 TYR CE1 C 6.239 0.996 15.342 1.00 . A A . 16 TYR CE1 1 1 5 2531 1 1 16 TYR CE2 C 5.822 -1.360 15.334 1.00 . A A . 16 TYR CE2 1 1 5 2532 1 1 16 TYR CG C 7.889 -0.508 14.426 1.00 . A A . 16 TYR CG 1 1 5 2533 1 1 16 TYR CZ C 5.422 -0.075 15.636 1.00 . A A . 16 TYR CZ 1 1 5 2534 1 1 16 TYR H H 8.303 1.477 12.074 1.00 . A A . 16 TYR H 1 1 5 2535 1 1 16 TYR HA H 10.178 -0.753 11.849 1.00 . A A . 16 TYR HA 1 1 5 2536 1 1 16 TYR HB2 H 9.485 -1.783 13.898 1.00 . A A . 16 TYR HB2 1 1 5 2537 1 1 16 TYR HB3 H 9.961 -0.132 14.277 1.00 . A A . 16 TYR HB3 1 1 5 2538 1 1 16 TYR HD1 H 8.105 1.614 14.508 1.00 . A A . 16 TYR HD1 1 1 5 2539 1 1 16 TYR HD2 H 7.365 -2.576 14.496 1.00 . A A . 16 TYR HD2 1 1 5 2540 1 1 16 TYR HE1 H 5.925 2.002 15.579 1.00 . A A . 16 TYR HE1 1 1 5 2541 1 1 16 TYR HE2 H 5.183 -2.199 15.565 1.00 . A A . 16 TYR HE2 1 1 5 2542 1 1 16 TYR HH H 3.836 -0.702 16.524 1.00 . A A . 16 TYR HH 1 1 5 2543 1 1 16 TYR N N 9.179 1.038 12.083 1.00 . A A . 16 TYR N 1 1 5 2544 1 1 16 TYR O O 7.332 -0.482 10.828 1.00 . A A . 16 TYR O 1 1 5 2545 1 1 16 TYR OH O 4.202 0.138 16.235 1.00 . A A . 16 TYR OH 1 1 5 2546 1 1 17 CYS C C 5.672 -3.250 12.107 1.00 . A A . 17 CYS C 1 1 5 2547 1 1 17 CYS CA C 6.897 -3.194 11.199 1.00 . A A . 17 CYS CA 1 1 5 2548 1 1 17 CYS CB C 7.390 -4.612 10.902 1.00 . A A . 17 CYS CB 1 1 5 2549 1 1 17 CYS H H 8.597 -2.848 12.411 1.00 . A A . 17 CYS H 1 1 5 2550 1 1 17 CYS HA H 6.621 -2.716 10.271 1.00 . A A . 17 CYS HA 1 1 5 2551 1 1 17 CYS HB2 H 8.203 -4.850 11.572 1.00 . A A . 17 CYS HB2 1 1 5 2552 1 1 17 CYS HB3 H 6.580 -5.308 11.065 1.00 . A A . 17 CYS HB3 1 1 5 2553 1 1 17 CYS N N 7.961 -2.406 11.809 1.00 . A A . 17 CYS N 1 1 5 2554 1 1 17 CYS O O 5.791 -3.464 13.313 1.00 . A A . 17 CYS O 1 1 5 2555 1 1 17 CYS SG S 7.991 -4.848 9.198 1.00 . A A . 17 CYS SG 1 1 5 2556 1 1 18 GLU C C 2.113 -3.649 11.428 1.00 . A A . 18 GLU C 1 1 5 2557 1 1 18 GLU CA C 3.250 -3.083 12.274 1.00 . A A . 18 GLU CA 1 1 5 2558 1 1 18 GLU CB C 2.889 -1.676 12.757 1.00 . A A . 18 GLU CB 1 1 5 2559 1 1 18 GLU CD C 1.982 -2.908 14.767 1.00 . A A . 18 GLU CD 1 1 5 2560 1 1 18 GLU CG C 1.894 -1.664 13.905 1.00 . A A . 18 GLU CG 1 1 5 2561 1 1 18 GLU H H 4.466 -2.888 10.552 1.00 . A A . 18 GLU H 1 1 5 2562 1 1 18 GLU HA H 3.397 -3.721 13.132 1.00 . A A . 18 GLU HA 1 1 5 2563 1 1 18 GLU HB2 H 3.790 -1.178 13.082 1.00 . A A . 18 GLU HB2 1 1 5 2564 1 1 18 GLU HB3 H 2.462 -1.125 11.932 1.00 . A A . 18 GLU HB3 1 1 5 2565 1 1 18 GLU HG2 H 2.090 -0.801 14.525 1.00 . A A . 18 GLU HG2 1 1 5 2566 1 1 18 GLU HG3 H 0.896 -1.594 13.499 1.00 . A A . 18 GLU HG3 1 1 5 2567 1 1 18 GLU N N 4.496 -3.055 11.518 1.00 . A A . 18 GLU N 1 1 5 2568 1 1 18 GLU O O 1.582 -2.973 10.548 1.00 . A A . 18 GLU O 1 1 5 2569 1 1 18 GLU OE1 O 1.300 -3.903 14.442 1.00 . A A . 18 GLU OE1 1 1 5 2570 1 1 18 GLU OE2 O 2.731 -2.888 15.765 1.00 . A A . 18 GLU OE2 1 1 5 2571 1 1 19 GLY C C -0.678 -5.355 11.620 1.00 . A A . 19 GLY C 1 1 5 2572 1 1 19 GLY CA C 0.674 -5.535 10.958 1.00 . A A . 19 GLY CA 1 1 5 2573 1 1 19 GLY H H 2.203 -5.389 12.415 1.00 . A A . 19 GLY H 1 1 5 2574 1 1 19 GLY HA2 H 0.637 -5.110 9.966 1.00 . A A . 19 GLY HA2 1 1 5 2575 1 1 19 GLY HA3 H 0.885 -6.591 10.879 1.00 . A A . 19 GLY HA3 1 1 5 2576 1 1 19 GLY N N 1.744 -4.897 11.702 1.00 . A A . 19 GLY N 1 1 5 2577 1 1 19 GLY O O -1.676 -5.920 11.172 1.00 . A A . 19 GLY O 1 1 5 2578 1 1 20 ALA C C -2.208 -2.819 13.559 1.00 . A A . 20 ALA C 1 1 5 2579 1 1 20 ALA CA C -1.952 -4.315 13.414 1.00 . A A . 20 ALA CA 1 1 5 2580 1 1 20 ALA CB C -1.909 -4.981 14.781 1.00 . A A . 20 ALA CB 1 1 5 2581 1 1 20 ALA H H 0.116 -4.146 12.999 1.00 . A A . 20 ALA H 1 1 5 2582 1 1 20 ALA HA H -2.763 -4.756 12.851 1.00 . A A . 20 ALA HA 1 1 5 2583 1 1 20 ALA HB1 H -2.719 -4.605 15.389 1.00 . A A . 20 ALA HB1 1 1 5 2584 1 1 20 ALA HB2 H -2.012 -6.049 14.665 1.00 . A A . 20 ALA HB2 1 1 5 2585 1 1 20 ALA HB3 H -0.967 -4.759 15.260 1.00 . A A . 20 ALA HB3 1 1 5 2586 1 1 20 ALA N N -0.712 -4.568 12.690 1.00 . A A . 20 ALA N 1 1 5 2587 1 1 20 ALA O O -3.087 -2.263 12.901 1.00 . A A . 20 ALA O 1 1 5 2588 1 1 21 ARG C C -0.348 -0.177 15.361 1.00 . A A . 21 ARG C 1 1 5 2589 1 1 21 ARG CA C -1.580 -0.741 14.658 1.00 . A A . 21 ARG CA 1 1 5 2590 1 1 21 ARG CB C -2.830 -0.463 15.495 1.00 . A A . 21 ARG CB 1 1 5 2591 1 1 21 ARG CD C -5.119 0.568 15.606 1.00 . A A . 21 ARG CD 1 1 5 2592 1 1 21 ARG CG C -3.826 0.461 14.813 1.00 . A A . 21 ARG CG 1 1 5 2593 1 1 21 ARG CZ C -5.354 3.014 15.534 1.00 . A A . 21 ARG CZ 1 1 5 2594 1 1 21 ARG H H -0.751 -2.671 14.921 1.00 . A A . 21 ARG H 1 1 5 2595 1 1 21 ARG HA H -1.685 -0.258 13.699 1.00 . A A . 21 ARG HA 1 1 5 2596 1 1 21 ARG HB2 H -3.325 -1.399 15.703 1.00 . A A . 21 ARG HB2 1 1 5 2597 1 1 21 ARG HB3 H -2.530 -0.008 16.427 1.00 . A A . 21 ARG HB3 1 1 5 2598 1 1 21 ARG HD2 H -5.950 0.394 14.939 1.00 . A A . 21 ARG HD2 1 1 5 2599 1 1 21 ARG HD3 H -5.115 -0.186 16.379 1.00 . A A . 21 ARG HD3 1 1 5 2600 1 1 21 ARG HE H -5.322 1.921 17.202 1.00 . A A . 21 ARG HE 1 1 5 2601 1 1 21 ARG HG2 H -3.389 1.445 14.725 1.00 . A A . 21 ARG HG2 1 1 5 2602 1 1 21 ARG HG3 H -4.047 0.073 13.830 1.00 . A A . 21 ARG HG3 1 1 5 2603 1 1 21 ARG HH11 H -5.188 2.123 13.729 1.00 . A A . 21 ARG HH11 1 1 5 2604 1 1 21 ARG HH12 H -5.355 3.847 13.692 1.00 . A A . 21 ARG HH12 1 1 5 2605 1 1 21 ARG HH21 H -5.542 4.191 17.167 1.00 . A A . 21 ARG HH21 1 1 5 2606 1 1 21 ARG HH22 H -5.555 5.022 15.649 1.00 . A A . 21 ARG HH22 1 1 5 2607 1 1 21 ARG N N -1.435 -2.173 14.426 1.00 . A A . 21 ARG N 1 1 5 2608 1 1 21 ARG NE N -5.275 1.882 16.224 1.00 . A A . 21 ARG NE 1 1 5 2609 1 1 21 ARG NH1 N -5.293 2.993 14.210 1.00 . A A . 21 ARG NH1 1 1 5 2610 1 1 21 ARG NH2 N -5.496 4.171 16.169 1.00 . A A . 21 ARG NH2 1 1 5 2611 1 1 21 ARG O O 0.256 -0.839 16.206 1.00 . A A . 21 ARG O 1 1 5 2612 1 1 22 CYS C C 1.055 1.752 17.121 1.00 . A A . 22 CYS C 1 1 5 2613 1 1 22 CYS CA C 1.179 1.703 15.601 1.00 . A A . 22 CYS CA 1 1 5 2614 1 1 22 CYS CB C 1.333 3.120 15.045 1.00 . A A . 22 CYS CB 1 1 5 2615 1 1 22 CYS H H -0.502 1.528 14.327 1.00 . A A . 22 CYS H 1 1 5 2616 1 1 22 CYS HA H 2.054 1.127 15.342 1.00 . A A . 22 CYS HA 1 1 5 2617 1 1 22 CYS HB2 H 0.495 3.720 15.372 1.00 . A A . 22 CYS HB2 1 1 5 2618 1 1 22 CYS HB3 H 2.247 3.551 15.426 1.00 . A A . 22 CYS HB3 1 1 5 2619 1 1 22 CYS N N 0.019 1.050 15.006 1.00 . A A . 22 CYS N 1 1 5 2620 1 1 22 CYS O O -0.034 1.952 17.659 1.00 . A A . 22 CYS O 1 1 5 2621 1 1 22 CYS SG S 1.395 3.203 13.227 1.00 . A A . 22 CYS SG 1 1 5 2622 1 1 23 GLU C C 1.975 3.007 19.790 1.00 . A A . 23 GLU C 1 1 5 2623 1 1 23 GLU CA C 2.196 1.591 19.265 1.00 . A A . 23 GLU CA 1 1 5 2624 1 1 23 GLU CB C 3.523 1.041 19.791 1.00 . A A . 23 GLU CB 1 1 5 2625 1 1 23 GLU CD C 4.342 -1.166 20.708 1.00 . A A . 23 GLU CD 1 1 5 2626 1 1 23 GLU CG C 3.712 -0.444 19.532 1.00 . A A . 23 GLU CG 1 1 5 2627 1 1 23 GLU H H 3.016 1.413 17.322 1.00 . A A . 23 GLU H 1 1 5 2628 1 1 23 GLU HA H 1.392 0.961 19.616 1.00 . A A . 23 GLU HA 1 1 5 2629 1 1 23 GLU HB2 H 4.334 1.575 19.316 1.00 . A A . 23 GLU HB2 1 1 5 2630 1 1 23 GLU HB3 H 3.571 1.208 20.857 1.00 . A A . 23 GLU HB3 1 1 5 2631 1 1 23 GLU HG2 H 2.748 -0.887 19.332 1.00 . A A . 23 GLU HG2 1 1 5 2632 1 1 23 GLU HG3 H 4.350 -0.568 18.669 1.00 . A A . 23 GLU HG3 1 1 5 2633 1 1 23 GLU N N 2.179 1.568 17.807 1.00 . A A . 23 GLU N 1 1 5 2634 1 1 23 GLU O O 2.080 3.980 19.044 1.00 . A A . 23 GLU O 1 1 5 2635 1 1 23 GLU OE1 O 5.422 -0.731 21.160 1.00 . A A . 23 GLU OE1 1 1 5 2636 1 1 23 GLU OE2 O 3.756 -2.164 21.175 1.00 . A A . 23 GLU OE2 1 1 5 2637 1 1 24 SER C C 2.630 5.331 21.519 1.00 . A A . 24 SER C 1 1 5 2638 1 1 24 SER CA C 1.429 4.408 21.704 1.00 . A A . 24 SER CA 1 1 5 2639 1 1 24 SER CB C 1.132 4.232 23.194 1.00 . A A . 24 SER CB 1 1 5 2640 1 1 24 SER H H 1.600 2.299 21.622 1.00 . A A . 24 SER H 1 1 5 2641 1 1 24 SER HA H 0.570 4.853 21.224 1.00 . A A . 24 SER HA 1 1 5 2642 1 1 24 SER HB2 H 1.519 3.281 23.526 1.00 . A A . 24 SER HB2 1 1 5 2643 1 1 24 SER HB3 H 1.608 5.028 23.750 1.00 . A A . 24 SER HB3 1 1 5 2644 1 1 24 SER HG H -0.421 4.182 24.387 1.00 . A A . 24 SER HG 1 1 5 2645 1 1 24 SER N N 1.669 3.113 21.079 1.00 . A A . 24 SER N 1 1 5 2646 1 1 24 SER O O 3.554 5.337 22.331 1.00 . A A . 24 SER O 1 1 5 2647 1 1 24 SER OG O -0.262 4.271 23.444 1.00 . A A . 24 SER OG 1 1 5 2648 1 1 25 GLY C C 4.100 7.032 18.706 1.00 . A A . 25 GLY C 1 1 5 2649 1 1 25 GLY CA C 3.700 7.028 20.168 1.00 . A A . 25 GLY CA 1 1 5 2650 1 1 25 GLY H H 1.845 6.064 19.829 1.00 . A A . 25 GLY H 1 1 5 2651 1 1 25 GLY HA2 H 3.398 8.025 20.451 1.00 . A A . 25 GLY HA2 1 1 5 2652 1 1 25 GLY HA3 H 4.555 6.739 20.762 1.00 . A A . 25 GLY HA3 1 1 5 2653 1 1 25 GLY N N 2.608 6.111 20.442 1.00 . A A . 25 GLY N 1 1 5 2654 1 1 25 GLY O O 4.664 8.008 18.212 1.00 . A A . 25 GLY O 1 1 5 2655 1 1 26 PHE C C 2.962 6.219 15.721 1.00 . A A . 26 PHE C 1 1 5 2656 1 1 26 PHE CA C 4.145 5.817 16.597 1.00 . A A . 26 PHE CA 1 1 5 2657 1 1 26 PHE CB C 4.571 4.384 16.272 1.00 . A A . 26 PHE CB 1 1 5 2658 1 1 26 PHE CD1 C 5.858 3.614 18.284 1.00 . A A . 26 PHE CD1 1 1 5 2659 1 1 26 PHE CD2 C 7.040 3.939 16.239 1.00 . A A . 26 PHE CD2 1 1 5 2660 1 1 26 PHE CE1 C 7.032 3.233 18.906 1.00 . A A . 26 PHE CE1 1 1 5 2661 1 1 26 PHE CE2 C 8.217 3.559 16.855 1.00 . A A . 26 PHE CE2 1 1 5 2662 1 1 26 PHE CG C 5.849 3.971 16.945 1.00 . A A . 26 PHE CG 1 1 5 2663 1 1 26 PHE CZ C 8.213 3.207 18.191 1.00 . A A . 26 PHE CZ 1 1 5 2664 1 1 26 PHE H H 3.359 5.191 18.461 1.00 . A A . 26 PHE H 1 1 5 2665 1 1 26 PHE HA H 4.970 6.483 16.396 1.00 . A A . 26 PHE HA 1 1 5 2666 1 1 26 PHE HB2 H 3.794 3.704 16.590 1.00 . A A . 26 PHE HB2 1 1 5 2667 1 1 26 PHE HB3 H 4.711 4.291 15.206 1.00 . A A . 26 PHE HB3 1 1 5 2668 1 1 26 PHE HD1 H 4.934 3.635 18.844 1.00 . A A . 26 PHE HD1 1 1 5 2669 1 1 26 PHE HD2 H 7.045 4.216 15.194 1.00 . A A . 26 PHE HD2 1 1 5 2670 1 1 26 PHE HE1 H 7.025 2.958 19.950 1.00 . A A . 26 PHE HE1 1 1 5 2671 1 1 26 PHE HE2 H 9.139 3.539 16.294 1.00 . A A . 26 PHE HE2 1 1 5 2672 1 1 26 PHE HZ H 9.132 2.909 18.675 1.00 . A A . 26 PHE HZ 1 1 5 2673 1 1 26 PHE N N 3.809 5.937 18.011 1.00 . A A . 26 PHE N 1 1 5 2674 1 1 26 PHE O O 1.827 6.300 16.191 1.00 . A A . 26 PHE O 1 1 5 2675 1 1 27 HIS C C 2.219 5.974 12.265 1.00 . A A . 27 HIS C 1 1 5 2676 1 1 27 HIS CA C 2.196 6.866 13.503 1.00 . A A . 27 HIS CA 1 1 5 2677 1 1 27 HIS CB C 2.375 8.329 13.095 1.00 . A A . 27 HIS CB 1 1 5 2678 1 1 27 HIS CD2 C 4.675 8.563 11.919 1.00 . A A . 27 HIS CD2 1 1 5 2679 1 1 27 HIS CE1 C 5.740 9.634 13.509 1.00 . A A . 27 HIS CE1 1 1 5 2680 1 1 27 HIS CG C 3.808 8.737 12.944 1.00 . A A . 27 HIS CG 1 1 5 2681 1 1 27 HIS H H 4.161 6.390 14.131 1.00 . A A . 27 HIS H 1 1 5 2682 1 1 27 HIS HA H 1.243 6.753 13.995 1.00 . A A . 27 HIS HA 1 1 5 2683 1 1 27 HIS HB2 H 1.882 8.495 12.149 1.00 . A A . 27 HIS HB2 1 1 5 2684 1 1 27 HIS HB3 H 1.926 8.963 13.846 1.00 . A A . 27 HIS HB3 1 1 5 2685 1 1 27 HIS HD1 H 4.150 9.684 14.795 1.00 . A A . 27 HIS HD1 1 1 5 2686 1 1 27 HIS HD2 H 4.467 8.071 10.979 1.00 . A A . 27 HIS HD2 1 1 5 2687 1 1 27 HIS HE1 H 6.513 10.142 14.066 1.00 . A A . 27 HIS HE1 1 1 5 2688 1 1 27 HIS N N 3.237 6.472 14.445 1.00 . A A . 27 HIS N 1 1 5 2689 1 1 27 HIS ND1 N 4.506 9.410 13.925 1.00 . A A . 27 HIS ND1 1 1 5 2690 1 1 27 HIS NE2 N 5.869 9.129 12.295 1.00 . A A . 27 HIS NE2 1 1 5 2691 1 1 27 HIS O O 3.285 5.591 11.783 1.00 . A A . 27 HIS O 1 1 5 2692 1 1 28 ASP C C 1.516 5.492 9.350 1.00 . A A . 28 ASP C 1 1 5 2693 1 1 28 ASP CA C 0.920 4.802 10.573 1.00 . A A . 28 ASP CA 1 1 5 2694 1 1 28 ASP CB C -0.546 4.453 10.312 1.00 . A A . 28 ASP CB 1 1 5 2695 1 1 28 ASP CG C -0.785 3.978 8.892 1.00 . A A . 28 ASP CG 1 1 5 2696 1 1 28 ASP H H 0.221 5.986 12.184 1.00 . A A . 28 ASP H 1 1 5 2697 1 1 28 ASP HA H 1.469 3.893 10.761 1.00 . A A . 28 ASP HA 1 1 5 2698 1 1 28 ASP HB2 H -0.848 3.667 10.989 1.00 . A A . 28 ASP HB2 1 1 5 2699 1 1 28 ASP HB3 H -1.155 5.327 10.488 1.00 . A A . 28 ASP HB3 1 1 5 2700 1 1 28 ASP N N 1.036 5.649 11.755 1.00 . A A . 28 ASP N 1 1 5 2701 1 1 28 ASP O O 1.015 6.523 8.899 1.00 . A A . 28 ASP O 1 1 5 2702 1 1 28 ASP OD1 O -0.628 2.766 8.637 1.00 . A A . 28 ASP OD1 1 1 5 2703 1 1 28 ASP OD2 O -1.128 4.820 8.036 1.00 . A A . 28 ASP OD2 1 1 5 2704 1 1 29 CYS C C 3.403 4.428 6.552 1.00 . A A . 29 CYS C 1 1 5 2705 1 1 29 CYS CA C 3.257 5.478 7.649 1.00 . A A . 29 CYS CA 1 1 5 2706 1 1 29 CYS CB C 4.633 6.025 8.034 1.00 . A A . 29 CYS CB 1 1 5 2707 1 1 29 CYS H H 2.944 4.098 9.223 1.00 . A A . 29 CYS H 1 1 5 2708 1 1 29 CYS HA H 2.649 6.288 7.276 1.00 . A A . 29 CYS HA 1 1 5 2709 1 1 29 CYS HB2 H 5.145 6.351 7.140 1.00 . A A . 29 CYS HB2 1 1 5 2710 1 1 29 CYS HB3 H 4.505 6.868 8.696 1.00 . A A . 29 CYS HB3 1 1 5 2711 1 1 29 CYS N N 2.590 4.918 8.818 1.00 . A A . 29 CYS N 1 1 5 2712 1 1 29 CYS O O 4.261 4.543 5.677 1.00 . A A . 29 CYS O 1 1 5 2713 1 1 29 CYS SG S 5.705 4.816 8.874 1.00 . A A . 29 CYS SG 1 1 5 2714 1 1 30 GLY C C 2.426 2.869 4.200 1.00 . A A . 30 GLY C 1 1 5 2715 1 1 30 GLY CA C 2.610 2.346 5.611 1.00 . A A . 30 GLY CA 1 1 5 2716 1 1 30 GLY H H 1.895 3.362 7.325 1.00 . A A . 30 GLY H 1 1 5 2717 1 1 30 GLY HA2 H 3.567 1.850 5.678 1.00 . A A . 30 GLY HA2 1 1 5 2718 1 1 30 GLY HA3 H 1.829 1.631 5.822 1.00 . A A . 30 GLY HA3 1 1 5 2719 1 1 30 GLY N N 2.559 3.402 6.605 1.00 . A A . 30 GLY N 1 1 5 2720 1 1 30 GLY O O 2.615 2.135 3.230 1.00 . A A . 30 GLY O 1 1 5 2721 1 1 31 SER C C 2.982 4.424 1.827 1.00 . A A . 31 SER C 1 1 5 2722 1 1 31 SER CA C 1.840 4.759 2.782 1.00 . A A . 31 SER CA 1 1 5 2723 1 1 31 SER CB C 1.712 6.276 2.930 1.00 . A A . 31 SER CB 1 1 5 2724 1 1 31 SER H H 1.921 4.674 4.896 1.00 . A A . 31 SER H 1 1 5 2725 1 1 31 SER HA H 0.920 4.366 2.376 1.00 . A A . 31 SER HA 1 1 5 2726 1 1 31 SER HB2 H 2.205 6.590 3.837 1.00 . A A . 31 SER HB2 1 1 5 2727 1 1 31 SER HB3 H 2.176 6.758 2.081 1.00 . A A . 31 SER HB3 1 1 5 2728 1 1 31 SER HG H -0.020 6.673 2.105 1.00 . A A . 31 SER HG 1 1 5 2729 1 1 31 SER N N 2.055 4.140 4.085 1.00 . A A . 31 SER N 1 1 5 2730 1 1 31 SER O O 2.792 3.715 0.839 1.00 . A A . 31 SER O 1 1 5 2731 1 1 31 SER OG O 0.352 6.669 2.990 1.00 . A A . 31 SER OG 1 1 5 2732 1 1 32 ASP C C 6.321 3.762 2.002 1.00 . A A . 32 ASP C 1 1 5 2733 1 1 32 ASP CA C 5.342 4.697 1.299 1.00 . A A . 32 ASP CA 1 1 5 2734 1 1 32 ASP CB C 6.035 6.017 0.957 1.00 . A A . 32 ASP CB 1 1 5 2735 1 1 32 ASP CG C 6.090 6.964 2.139 1.00 . A A . 32 ASP CG 1 1 5 2736 1 1 32 ASP H H 4.257 5.498 2.930 1.00 . A A . 32 ASP H 1 1 5 2737 1 1 32 ASP HA H 5.010 4.228 0.385 1.00 . A A . 32 ASP HA 1 1 5 2738 1 1 32 ASP HB2 H 7.046 5.813 0.636 1.00 . A A . 32 ASP HB2 1 1 5 2739 1 1 32 ASP HB3 H 5.497 6.501 0.155 1.00 . A A . 32 ASP HB3 1 1 5 2740 1 1 32 ASP N N 4.168 4.940 2.129 1.00 . A A . 32 ASP N 1 1 5 2741 1 1 32 ASP O O 7.528 3.819 1.768 1.00 . A A . 32 ASP O 1 1 5 2742 1 1 32 ASP OD1 O 5.988 8.190 1.923 1.00 . A A . 32 ASP OD1 1 1 5 2743 1 1 32 ASP OD2 O 6.233 6.480 3.281 1.00 . A A . 32 ASP OD2 1 1 5 2744 1 1 33 HIS C C 5.857 0.659 3.870 1.00 . A A . 33 HIS C 1 1 5 2745 1 1 33 HIS CA C 6.619 1.954 3.606 1.00 . A A . 33 HIS CA 1 1 5 2746 1 1 33 HIS CB C 7.078 2.568 4.929 1.00 . A A . 33 HIS CB 1 1 5 2747 1 1 33 HIS CD2 C 8.758 4.327 4.027 1.00 . A A . 33 HIS CD2 1 1 5 2748 1 1 33 HIS CE1 C 8.002 6.077 5.110 1.00 . A A . 33 HIS CE1 1 1 5 2749 1 1 33 HIS CG C 7.706 3.919 4.776 1.00 . A A . 33 HIS CG 1 1 5 2750 1 1 33 HIS H H 4.823 2.904 3.011 1.00 . A A . 33 HIS H 1 1 5 2751 1 1 33 HIS HA H 7.486 1.731 3.003 1.00 . A A . 33 HIS HA 1 1 5 2752 1 1 33 HIS HB2 H 6.226 2.672 5.584 1.00 . A A . 33 HIS HB2 1 1 5 2753 1 1 33 HIS HB3 H 7.803 1.914 5.390 1.00 . A A . 33 HIS HB3 1 1 5 2754 1 1 33 HIS HD1 H 6.501 5.068 6.066 1.00 . A A . 33 HIS HD1 1 1 5 2755 1 1 33 HIS HD2 H 9.357 3.709 3.373 1.00 . A A . 33 HIS HD2 1 1 5 2756 1 1 33 HIS HE1 H 7.882 7.085 5.477 1.00 . A A . 33 HIS HE1 1 1 5 2757 1 1 33 HIS N N 5.792 2.901 2.867 1.00 . A A . 33 HIS N 1 1 5 2758 1 1 33 HIS ND1 N 7.256 5.039 5.443 1.00 . A A . 33 HIS ND1 1 1 5 2759 1 1 33 HIS NE2 N 8.921 5.671 4.253 1.00 . A A . 33 HIS NE2 1 1 5 2760 1 1 33 HIS O O 4.799 0.667 4.498 1.00 . A A . 33 HIS O 1 1 5 2761 1 1 34 TRP C C 6.681 -2.691 4.359 1.00 . A A . 34 TRP C 1 1 5 2762 1 1 34 TRP CA C 5.774 -1.755 3.569 1.00 . A A . 34 TRP CA 1 1 5 2763 1 1 34 TRP CB C 5.436 -2.376 2.213 1.00 . A A . 34 TRP CB 1 1 5 2764 1 1 34 TRP CD1 C 6.085 -1.272 -0.007 1.00 . A A . 34 TRP CD1 1 1 5 2765 1 1 34 TRP CD2 C 7.787 -2.260 1.062 1.00 . A A . 34 TRP CD2 1 1 5 2766 1 1 34 TRP CE2 C 8.274 -1.697 -0.134 1.00 . A A . 34 TRP CE2 1 1 5 2767 1 1 34 TRP CE3 C 8.679 -2.934 1.901 1.00 . A A . 34 TRP CE3 1 1 5 2768 1 1 34 TRP CG C 6.385 -1.976 1.123 1.00 . A A . 34 TRP CG 1 1 5 2769 1 1 34 TRP CH2 C 10.463 -2.453 0.331 1.00 . A A . 34 TRP CH2 1 1 5 2770 1 1 34 TRP CZ2 C 9.612 -1.788 -0.509 1.00 . A A . 34 TRP CZ2 1 1 5 2771 1 1 34 TRP CZ3 C 10.006 -3.024 1.527 1.00 . A A . 34 TRP CZ3 1 1 5 2772 1 1 34 TRP H H 7.249 -0.394 2.893 1.00 . A A . 34 TRP H 1 1 5 2773 1 1 34 TRP HA H 4.859 -1.605 4.124 1.00 . A A . 34 TRP HA 1 1 5 2774 1 1 34 TRP HB2 H 5.463 -3.452 2.300 1.00 . A A . 34 TRP HB2 1 1 5 2775 1 1 34 TRP HB3 H 4.443 -2.067 1.921 1.00 . A A . 34 TRP HB3 1 1 5 2776 1 1 34 TRP HD1 H 5.099 -0.911 -0.255 1.00 . A A . 34 TRP HD1 1 1 5 2777 1 1 34 TRP HE1 H 7.259 -0.626 -1.625 1.00 . A A . 34 TRP HE1 1 1 5 2778 1 1 34 TRP HE3 H 8.346 -3.380 2.826 1.00 . A A . 34 TRP HE3 1 1 5 2779 1 1 34 TRP HH2 H 11.508 -2.549 0.079 1.00 . A A . 34 TRP HH2 1 1 5 2780 1 1 34 TRP HZ2 H 9.979 -1.353 -1.427 1.00 . A A . 34 TRP HZ2 1 1 5 2781 1 1 34 TRP HZ3 H 10.710 -3.541 2.162 1.00 . A A . 34 TRP HZ3 1 1 5 2782 1 1 34 TRP N N 6.403 -0.451 3.386 1.00 . A A . 34 TRP N 1 1 5 2783 1 1 34 TRP NE1 N 7.217 -1.100 -0.768 1.00 . A A . 34 TRP NE1 1 1 5 2784 1 1 34 TRP O O 7.859 -2.400 4.568 1.00 . A A . 34 TRP O 1 1 5 2785 1 1 35 CYS C C 7.258 -5.996 4.698 1.00 . A A . 35 CYS C 1 1 5 2786 1 1 35 CYS CA C 6.886 -4.796 5.564 1.00 . A A . 35 CYS CA 1 1 5 2787 1 1 35 CYS CB C 6.078 -5.260 6.778 1.00 . A A . 35 CYS CB 1 1 5 2788 1 1 35 CYS H H 5.182 -3.993 4.598 1.00 . A A . 35 CYS H 1 1 5 2789 1 1 35 CYS HA H 7.792 -4.320 5.906 1.00 . A A . 35 CYS HA 1 1 5 2790 1 1 35 CYS HB2 H 5.033 -5.308 6.509 1.00 . A A . 35 CYS HB2 1 1 5 2791 1 1 35 CYS HB3 H 6.415 -6.243 7.070 1.00 . A A . 35 CYS HB3 1 1 5 2792 1 1 35 CYS N N 6.126 -3.816 4.796 1.00 . A A . 35 CYS N 1 1 5 2793 1 1 35 CYS O O 6.745 -6.158 3.590 1.00 . A A . 35 CYS O 1 1 5 2794 1 1 35 CYS SG S 6.225 -4.168 8.229 1.00 . A A . 35 CYS SG 1 1 5 2795 1 1 36 ASP C C 7.401 -8.767 3.893 1.00 . A A . 36 ASP C 1 1 5 2796 1 1 36 ASP CA C 8.592 -8.020 4.486 1.00 . A A . 36 ASP CA 1 1 5 2797 1 1 36 ASP CB C 9.380 -8.947 5.412 1.00 . A A . 36 ASP CB 1 1 5 2798 1 1 36 ASP CG C 10.859 -8.612 5.444 1.00 . A A . 36 ASP CG 1 1 5 2799 1 1 36 ASP H H 8.524 -6.651 6.099 1.00 . A A . 36 ASP H 1 1 5 2800 1 1 36 ASP HA H 9.235 -7.698 3.682 1.00 . A A . 36 ASP HA 1 1 5 2801 1 1 36 ASP HB2 H 8.989 -8.861 6.416 1.00 . A A . 36 ASP HB2 1 1 5 2802 1 1 36 ASP HB3 H 9.268 -9.966 5.073 1.00 . A A . 36 ASP HB3 1 1 5 2803 1 1 36 ASP N N 8.152 -6.834 5.211 1.00 . A A . 36 ASP N 1 1 5 2804 1 1 36 ASP O O 7.468 -9.270 2.771 1.00 . A A . 36 ASP O 1 1 5 2805 1 1 36 ASP OD1 O 11.200 -7.462 5.794 1.00 . A A . 36 ASP OD1 1 1 5 2806 1 1 36 ASP OD2 O 11.675 -9.500 5.121 1.00 . A A . 36 ASP OD2 1 1 5 2807 1 1 37 ALA C C 4.136 -8.547 3.546 1.00 . A A . 37 ALA C 1 1 5 2808 1 1 37 ALA CA C 5.108 -9.521 4.202 1.00 . A A . 37 ALA CA 1 1 5 2809 1 1 37 ALA CB C 4.438 -10.233 5.368 1.00 . A A . 37 ALA CB 1 1 5 2810 1 1 37 ALA H H 6.322 -8.416 5.538 1.00 . A A . 37 ALA H 1 1 5 2811 1 1 37 ALA HA H 5.400 -10.267 3.477 1.00 . A A . 37 ALA HA 1 1 5 2812 1 1 37 ALA HB1 H 5.162 -10.394 6.155 1.00 . A A . 37 ALA HB1 1 1 5 2813 1 1 37 ALA HB2 H 3.628 -9.626 5.743 1.00 . A A . 37 ALA HB2 1 1 5 2814 1 1 37 ALA HB3 H 4.052 -11.185 5.035 1.00 . A A . 37 ALA HB3 1 1 5 2815 1 1 37 ALA N N 6.314 -8.837 4.653 1.00 . A A . 37 ALA N 1 1 5 2816 1 1 37 ALA O O 3.715 -7.567 4.161 1.00 . A A . 37 ALA O 1 1 5 2817 1 1 38 SER C C 1.526 -7.856 2.272 1.00 . A A . 38 SER C 1 1 5 2818 1 1 38 SER CA C 2.866 -7.966 1.552 1.00 . A A . 38 SER CA 1 1 5 2819 1 1 38 SER CB C 2.656 -8.512 0.139 1.00 . A A . 38 SER CB 1 1 5 2820 1 1 38 SER H H 4.156 -9.618 1.858 1.00 . A A . 38 SER H 1 1 5 2821 1 1 38 SER HA H 3.308 -6.983 1.487 1.00 . A A . 38 SER HA 1 1 5 2822 1 1 38 SER HB2 H 1.851 -7.973 -0.337 1.00 . A A . 38 SER HB2 1 1 5 2823 1 1 38 SER HB3 H 3.564 -8.382 -0.433 1.00 . A A . 38 SER HB3 1 1 5 2824 1 1 38 SER HG H 1.381 -9.992 0.292 1.00 . A A . 38 SER HG 1 1 5 2825 1 1 38 SER N N 3.785 -8.822 2.294 1.00 . A A . 38 SER N 1 1 5 2826 1 1 38 SER O O 0.553 -8.510 1.899 1.00 . A A . 38 SER O 1 1 5 2827 1 1 38 SER OG O 2.328 -9.890 0.168 1.00 . A A . 38 SER OG 1 1 5 2828 1 1 39 GLY C C 0.476 -6.051 5.339 1.00 . A A . 39 GLY C 1 1 5 2829 1 1 39 GLY CA C 0.258 -6.843 4.065 1.00 . A A . 39 GLY CA 1 1 5 2830 1 1 39 GLY H H 2.291 -6.528 3.560 1.00 . A A . 39 GLY H 1 1 5 2831 1 1 39 GLY HA2 H -0.459 -6.323 3.448 1.00 . A A . 39 GLY HA2 1 1 5 2832 1 1 39 GLY HA3 H -0.139 -7.814 4.322 1.00 . A A . 39 GLY HA3 1 1 5 2833 1 1 39 GLY N N 1.483 -7.024 3.308 1.00 . A A . 39 GLY N 1 1 5 2834 1 1 39 GLY O O -0.459 -5.454 5.874 1.00 . A A . 39 GLY O 1 1 5 2835 1 1 40 ASP C C 2.467 -3.891 6.731 1.00 . A A . 40 ASP C 1 1 5 2836 1 1 40 ASP CA C 2.048 -5.323 7.048 1.00 . A A . 40 ASP CA 1 1 5 2837 1 1 40 ASP CB C 3.170 -6.042 7.799 1.00 . A A . 40 ASP CB 1 1 5 2838 1 1 40 ASP CG C 2.642 -7.021 8.829 1.00 . A A . 40 ASP CG 1 1 5 2839 1 1 40 ASP H H 2.413 -6.542 5.356 1.00 . A A . 40 ASP H 1 1 5 2840 1 1 40 ASP HA H 1.168 -5.297 7.672 1.00 . A A . 40 ASP HA 1 1 5 2841 1 1 40 ASP HB2 H 3.778 -6.586 7.091 1.00 . A A . 40 ASP HB2 1 1 5 2842 1 1 40 ASP HB3 H 3.782 -5.310 8.305 1.00 . A A . 40 ASP HB3 1 1 5 2843 1 1 40 ASP N N 1.711 -6.047 5.827 1.00 . A A . 40 ASP N 1 1 5 2844 1 1 40 ASP O O 3.284 -3.655 5.841 1.00 . A A . 40 ASP O 1 1 5 2845 1 1 40 ASP OD1 O 3.384 -7.338 9.782 1.00 . A A . 40 ASP OD1 1 1 5 2846 1 1 40 ASP OD2 O 1.486 -7.470 8.682 1.00 . A A . 40 ASP OD2 1 1 5 2847 1 1 41 ARG C C 3.314 -1.073 8.218 1.00 . A A . 41 ARG C 1 1 5 2848 1 1 41 ARG CA C 2.215 -1.529 7.262 1.00 . A A . 41 ARG CA 1 1 5 2849 1 1 41 ARG CB C 0.964 -0.673 7.461 1.00 . A A . 41 ARG CB 1 1 5 2850 1 1 41 ARG CD C -1.266 -0.420 8.593 1.00 . A A . 41 ARG CD 1 1 5 2851 1 1 41 ARG CG C -0.140 -1.377 8.233 1.00 . A A . 41 ARG CG 1 1 5 2852 1 1 41 ARG CZ C -2.541 0.020 6.538 1.00 . A A . 41 ARG CZ 1 1 5 2853 1 1 41 ARG H H 1.259 -3.189 8.162 1.00 . A A . 41 ARG H 1 1 5 2854 1 1 41 ARG HA H 2.565 -1.410 6.248 1.00 . A A . 41 ARG HA 1 1 5 2855 1 1 41 ARG HB2 H 1.236 0.222 8.001 1.00 . A A . 41 ARG HB2 1 1 5 2856 1 1 41 ARG HB3 H 0.575 -0.395 6.493 1.00 . A A . 41 ARG HB3 1 1 5 2857 1 1 41 ARG HD2 H -1.570 -0.610 9.612 1.00 . A A . 41 ARG HD2 1 1 5 2858 1 1 41 ARG HD3 H -0.900 0.592 8.509 1.00 . A A . 41 ARG HD3 1 1 5 2859 1 1 41 ARG HE H -3.146 -1.168 8.022 1.00 . A A . 41 ARG HE 1 1 5 2860 1 1 41 ARG HG2 H -0.541 -2.174 7.625 1.00 . A A . 41 ARG HG2 1 1 5 2861 1 1 41 ARG HG3 H 0.275 -1.788 9.141 1.00 . A A . 41 ARG HG3 1 1 5 2862 1 1 41 ARG HH11 H -0.761 0.968 6.654 1.00 . A A . 41 ARG HH11 1 1 5 2863 1 1 41 ARG HH12 H -1.670 1.270 5.210 1.00 . A A . 41 ARG HH12 1 1 5 2864 1 1 41 ARG HH21 H -4.352 -0.778 6.125 1.00 . A A . 41 ARG HH21 1 1 5 2865 1 1 41 ARG HH22 H -3.712 0.277 4.911 1.00 . A A . 41 ARG HH22 1 1 5 2866 1 1 41 ARG N N 1.902 -2.938 7.466 1.00 . A A . 41 ARG N 1 1 5 2867 1 1 41 ARG NE N -2.422 -0.582 7.716 1.00 . A A . 41 ARG NE 1 1 5 2868 1 1 41 ARG NH1 N -1.579 0.819 6.098 1.00 . A A . 41 ARG NH1 1 1 5 2869 1 1 41 ARG NH2 N -3.624 -0.177 5.797 1.00 . A A . 41 ARG NH2 1 1 5 2870 1 1 41 ARG O O 3.282 -1.379 9.410 1.00 . A A . 41 ARG O 1 1 5 2871 1 1 42 CYS C C 4.988 1.410 9.263 1.00 . A A . 42 CYS C 1 1 5 2872 1 1 42 CYS CA C 5.396 0.159 8.490 1.00 . A A . 42 CYS CA 1 1 5 2873 1 1 42 CYS CB C 6.600 0.468 7.598 1.00 . A A . 42 CYS CB 1 1 5 2874 1 1 42 CYS H H 4.257 -0.128 6.729 1.00 . A A . 42 CYS H 1 1 5 2875 1 1 42 CYS HA H 5.668 -0.612 9.194 1.00 . A A . 42 CYS HA 1 1 5 2876 1 1 42 CYS HB2 H 6.253 0.915 6.678 1.00 . A A . 42 CYS HB2 1 1 5 2877 1 1 42 CYS HB3 H 7.248 1.165 8.109 1.00 . A A . 42 CYS HB3 1 1 5 2878 1 1 42 CYS N N 4.286 -0.339 7.686 1.00 . A A . 42 CYS N 1 1 5 2879 1 1 42 CYS O O 4.463 2.365 8.690 1.00 . A A . 42 CYS O 1 1 5 2880 1 1 42 CYS SG S 7.595 -0.995 7.161 1.00 . A A . 42 CYS SG 1 1 5 2881 1 1 43 CYS C C 6.135 3.350 11.759 1.00 . A A . 43 CYS C 1 1 5 2882 1 1 43 CYS CA C 4.894 2.529 11.423 1.00 . A A . 43 CYS CA 1 1 5 2883 1 1 43 CYS CB C 4.227 2.041 12.710 1.00 . A A . 43 CYS CB 1 1 5 2884 1 1 43 CYS H H 5.655 0.607 10.969 1.00 . A A . 43 CYS H 1 1 5 2885 1 1 43 CYS HA H 4.199 3.155 10.883 1.00 . A A . 43 CYS HA 1 1 5 2886 1 1 43 CYS HB2 H 4.721 1.140 13.043 1.00 . A A . 43 CYS HB2 1 1 5 2887 1 1 43 CYS HB3 H 4.328 2.802 13.470 1.00 . A A . 43 CYS HB3 1 1 5 2888 1 1 43 CYS N N 5.234 1.398 10.569 1.00 . A A . 43 CYS N 1 1 5 2889 1 1 43 CYS O O 7.192 2.799 12.070 1.00 . A A . 43 CYS O 1 1 5 2890 1 1 43 CYS SG S 2.453 1.665 12.533 1.00 . A A . 43 CYS SG 1 1 5 2891 1 1 44 CYS C C 6.852 6.343 13.281 1.00 . A A . 44 CYS C 1 1 5 2892 1 1 44 CYS CA C 7.110 5.568 11.992 1.00 . A A . 44 CYS CA 1 1 5 2893 1 1 44 CYS CB C 7.329 6.543 10.834 1.00 . A A . 44 CYS CB 1 1 5 2894 1 1 44 CYS H H 5.133 5.051 11.441 1.00 . A A . 44 CYS H 1 1 5 2895 1 1 44 CYS HA H 7.998 4.968 12.119 1.00 . A A . 44 CYS HA 1 1 5 2896 1 1 44 CYS HB2 H 6.492 7.224 10.783 1.00 . A A . 44 CYS HB2 1 1 5 2897 1 1 44 CYS HB3 H 8.233 7.106 11.013 1.00 . A A . 44 CYS HB3 1 1 5 2898 1 1 44 CYS N N 6.000 4.670 11.695 1.00 . A A . 44 CYS N 1 1 5 2899 1 1 44 CYS O O 5.759 6.866 13.495 1.00 . A A . 44 CYS O 1 1 5 2900 1 1 44 CYS SG S 7.487 5.740 9.206 1.00 . A A . 44 CYS SG 1 1 5 2901 1 1 45 ALA C C 7.893 8.629 15.202 1.00 . A A . 45 ALA C 1 1 5 2902 1 1 45 ALA CA C 7.752 7.124 15.403 1.00 . A A . 45 ALA CA 1 1 5 2903 1 1 45 ALA CB C 8.797 6.621 16.388 1.00 . A A . 45 ALA CB 1 1 5 2904 1 1 45 ALA H H 8.714 5.974 13.910 1.00 . A A . 45 ALA H 1 1 5 2905 1 1 45 ALA HA H 6.775 6.916 15.815 1.00 . A A . 45 ALA HA 1 1 5 2906 1 1 45 ALA HB1 H 9.081 5.612 16.127 1.00 . A A . 45 ALA HB1 1 1 5 2907 1 1 45 ALA HB2 H 9.665 7.262 16.350 1.00 . A A . 45 ALA HB2 1 1 5 2908 1 1 45 ALA HB3 H 8.385 6.632 17.386 1.00 . A A . 45 ALA HB3 1 1 5 2909 1 1 45 ALA N N 7.867 6.412 14.137 1.00 . A A . 45 ALA N 1 1 5 2910 1 1 45 ALA O O 8.854 9.095 14.590 1.00 . A A . 45 ALA O 1 1 6 2911 1 1 1 CYS C C 2.731 -1.403 -1.467 1.00 . A A . 1 CYS C 1 1 6 2912 1 1 1 CYS CA C 2.073 -0.027 -1.427 1.00 . A A . 1 CYS CA 1 1 6 2913 1 1 1 CYS CB C 3.146 1.063 -1.393 1.00 . A A . 1 CYS CB 1 1 6 2914 1 1 1 CYS HA H 1.474 0.098 -2.317 1.00 . A A . 1 CYS HA 1 1 6 2915 1 1 1 CYS HB2 H 3.963 0.773 -2.038 1.00 . A A . 1 CYS HB2 1 1 6 2916 1 1 1 CYS HB3 H 2.721 1.988 -1.754 1.00 . A A . 1 CYS HB3 1 1 6 2917 1 1 1 CYS N N 1.192 0.095 -0.272 1.00 . A A . 1 CYS N 1 1 6 2918 1 1 1 CYS O O 2.927 -2.039 -0.431 1.00 . A A . 1 CYS O 1 1 6 2919 1 1 1 CYS SG S 3.834 1.378 0.264 1.00 . A A . 1 CYS SG 1 1 6 2920 1 1 2 TYR C C 5.214 -3.057 -2.656 1.00 . A A . 2 TYR C 1 1 6 2921 1 1 2 TYR CA C 3.704 -3.157 -2.845 1.00 . A A . 2 TYR CA 1 1 6 2922 1 1 2 TYR CB C 3.388 -3.718 -4.232 1.00 . A A . 2 TYR CB 1 1 6 2923 1 1 2 TYR CD1 C 1.607 -5.236 -3.283 1.00 . A A . 2 TYR CD1 1 1 6 2924 1 1 2 TYR CD2 C 2.943 -6.056 -5.079 1.00 . A A . 2 TYR CD2 1 1 6 2925 1 1 2 TYR CE1 C 0.914 -6.431 -3.248 1.00 . A A . 2 TYR CE1 1 1 6 2926 1 1 2 TYR CE2 C 2.255 -7.253 -5.052 1.00 . A A . 2 TYR CE2 1 1 6 2927 1 1 2 TYR CG C 2.632 -5.027 -4.198 1.00 . A A . 2 TYR CG 1 1 6 2928 1 1 2 TYR CZ C 1.241 -7.436 -4.134 1.00 . A A . 2 TYR CZ 1 1 6 2929 1 1 2 TYR H H 2.888 -1.303 -3.457 1.00 . A A . 2 TYR H 1 1 6 2930 1 1 2 TYR HA H 3.302 -3.825 -2.097 1.00 . A A . 2 TYR HA 1 1 6 2931 1 1 2 TYR HB2 H 2.788 -3.004 -4.774 1.00 . A A . 2 TYR HB2 1 1 6 2932 1 1 2 TYR HB3 H 4.313 -3.883 -4.765 1.00 . A A . 2 TYR HB3 1 1 6 2933 1 1 2 TYR HD1 H 1.353 -4.448 -2.590 1.00 . A A . 2 TYR HD1 1 1 6 2934 1 1 2 TYR HD2 H 3.738 -5.909 -5.796 1.00 . A A . 2 TYR HD2 1 1 6 2935 1 1 2 TYR HE1 H 0.120 -6.575 -2.530 1.00 . A A . 2 TYR HE1 1 1 6 2936 1 1 2 TYR HE2 H 2.511 -8.040 -5.745 1.00 . A A . 2 TYR HE2 1 1 6 2937 1 1 2 TYR HH H 0.046 -8.683 -3.290 1.00 . A A . 2 TYR HH 1 1 6 2938 1 1 2 TYR N N 3.070 -1.856 -2.669 1.00 . A A . 2 TYR N 1 1 6 2939 1 1 2 TYR O O 5.811 -1.987 -2.776 1.00 . A A . 2 TYR O 1 1 6 2940 1 1 2 TYR OH O 0.554 -8.628 -4.103 1.00 . A A . 2 TYR OH 1 1 6 2941 1 1 3 PRO C C 8.082 -4.061 -3.432 1.00 . A A . 3 PRO C 1 1 6 2942 1 1 3 PRO CA C 7.297 -4.269 -2.141 1.00 . A A . 3 PRO CA 1 1 6 2943 1 1 3 PRO CB C 7.511 -5.687 -1.608 1.00 . A A . 3 PRO CB 1 1 6 2944 1 1 3 PRO CD C 5.200 -5.512 -2.193 1.00 . A A . 3 PRO CD 1 1 6 2945 1 1 3 PRO CG C 6.358 -6.469 -2.138 1.00 . A A . 3 PRO CG 1 1 6 2946 1 1 3 PRO HA H 7.625 -3.552 -1.403 1.00 . A A . 3 PRO HA 1 1 6 2947 1 1 3 PRO HB2 H 8.452 -6.074 -1.972 1.00 . A A . 3 PRO HB2 1 1 6 2948 1 1 3 PRO HB3 H 7.515 -5.673 -0.528 1.00 . A A . 3 PRO HB3 1 1 6 2949 1 1 3 PRO HD2 H 4.566 -5.734 -3.039 1.00 . A A . 3 PRO HD2 1 1 6 2950 1 1 3 PRO HD3 H 4.633 -5.552 -1.274 1.00 . A A . 3 PRO HD3 1 1 6 2951 1 1 3 PRO HG2 H 6.588 -6.837 -3.126 1.00 . A A . 3 PRO HG2 1 1 6 2952 1 1 3 PRO HG3 H 6.135 -7.289 -1.472 1.00 . A A . 3 PRO HG3 1 1 6 2953 1 1 3 PRO N N 5.848 -4.199 -2.352 1.00 . A A . 3 PRO N 1 1 6 2954 1 1 3 PRO O O 8.524 -5.021 -4.062 1.00 . A A . 3 PRO O 1 1 6 2955 1 1 4 GLY C C 8.299 -1.425 -5.868 1.00 . A A . 4 GLY C 1 1 6 2956 1 1 4 GLY CA C 8.983 -2.491 -5.034 1.00 . A A . 4 GLY CA 1 1 6 2957 1 1 4 GLY H H 7.877 -2.076 -3.278 1.00 . A A . 4 GLY H 1 1 6 2958 1 1 4 GLY HA2 H 9.971 -2.145 -4.768 1.00 . A A . 4 GLY HA2 1 1 6 2959 1 1 4 GLY HA3 H 9.074 -3.390 -5.626 1.00 . A A . 4 GLY HA3 1 1 6 2960 1 1 4 GLY N N 8.252 -2.801 -3.820 1.00 . A A . 4 GLY N 1 1 6 2961 1 1 4 GLY O O 8.772 -1.076 -6.949 1.00 . A A . 4 GLY O 1 1 6 2962 1 1 5 GLN C C 7.122 1.476 -5.955 1.00 . A A . 5 GLN C 1 1 6 2963 1 1 5 GLN CA C 6.431 0.121 -6.072 1.00 . A A . 5 GLN CA 1 1 6 2964 1 1 5 GLN CB C 5.007 0.213 -5.521 1.00 . A A . 5 GLN CB 1 1 6 2965 1 1 5 GLN CD C 2.711 -0.834 -5.646 1.00 . A A . 5 GLN CD 1 1 6 2966 1 1 5 GLN CG C 4.208 -1.070 -5.683 1.00 . A A . 5 GLN CG 1 1 6 2967 1 1 5 GLN H H 6.856 -1.229 -4.498 1.00 . A A . 5 GLN H 1 1 6 2968 1 1 5 GLN HA H 6.387 -0.158 -7.114 1.00 . A A . 5 GLN HA 1 1 6 2969 1 1 5 GLN HB2 H 5.056 0.451 -4.469 1.00 . A A . 5 GLN HB2 1 1 6 2970 1 1 5 GLN HB3 H 4.484 1.004 -6.037 1.00 . A A . 5 GLN HB3 1 1 6 2971 1 1 5 GLN HE21 H 2.474 -1.923 -7.292 1.00 . A A . 5 GLN HE21 1 1 6 2972 1 1 5 GLN HE22 H 1.029 -1.259 -6.616 1.00 . A A . 5 GLN HE22 1 1 6 2973 1 1 5 GLN HG2 H 4.462 -1.520 -6.631 1.00 . A A . 5 GLN HG2 1 1 6 2974 1 1 5 GLN HG3 H 4.472 -1.746 -4.883 1.00 . A A . 5 GLN HG3 1 1 6 2975 1 1 5 GLN N N 7.183 -0.909 -5.364 1.00 . A A . 5 GLN N 1 1 6 2976 1 1 5 GLN NE2 N 1.999 -1.395 -6.616 1.00 . A A . 5 GLN NE2 1 1 6 2977 1 1 5 GLN O O 7.877 1.736 -5.018 1.00 . A A . 5 GLN O 1 1 6 2978 1 1 5 GLN OE1 O 2.200 -0.156 -4.754 1.00 . A A . 5 GLN OE1 1 1 6 2979 1 1 6 PRO C C 6.893 4.602 -5.859 1.00 . A A . 6 PRO C 1 1 6 2980 1 1 6 PRO CA C 7.448 3.703 -6.958 1.00 . A A . 6 PRO CA 1 1 6 2981 1 1 6 PRO CB C 7.048 4.235 -8.337 1.00 . A A . 6 PRO CB 1 1 6 2982 1 1 6 PRO CD C 5.971 2.117 -8.077 1.00 . A A . 6 PRO CD 1 1 6 2983 1 1 6 PRO CG C 5.813 3.481 -8.690 1.00 . A A . 6 PRO CG 1 1 6 2984 1 1 6 PRO HA H 8.525 3.667 -6.883 1.00 . A A . 6 PRO HA 1 1 6 2985 1 1 6 PRO HB2 H 6.859 5.298 -8.274 1.00 . A A . 6 PRO HB2 1 1 6 2986 1 1 6 PRO HB3 H 7.842 4.046 -9.043 1.00 . A A . 6 PRO HB3 1 1 6 2987 1 1 6 PRO HD2 H 5.014 1.737 -7.750 1.00 . A A . 6 PRO HD2 1 1 6 2988 1 1 6 PRO HD3 H 6.428 1.437 -8.781 1.00 . A A . 6 PRO HD3 1 1 6 2989 1 1 6 PRO HG2 H 4.948 3.979 -8.280 1.00 . A A . 6 PRO HG2 1 1 6 2990 1 1 6 PRO HG3 H 5.727 3.401 -9.764 1.00 . A A . 6 PRO HG3 1 1 6 2991 1 1 6 PRO N N 6.861 2.360 -6.929 1.00 . A A . 6 PRO N 1 1 6 2992 1 1 6 PRO O O 5.694 4.876 -5.814 1.00 . A A . 6 PRO O 1 1 6 2993 1 1 7 GLY C C 7.253 5.185 -2.564 1.00 . A A . 7 GLY C 1 1 6 2994 1 1 7 GLY CA C 7.352 5.922 -3.885 1.00 . A A . 7 GLY CA 1 1 6 2995 1 1 7 GLY H H 8.717 4.806 -5.058 1.00 . A A . 7 GLY H 1 1 6 2996 1 1 7 GLY HA2 H 8.063 6.727 -3.784 1.00 . A A . 7 GLY HA2 1 1 6 2997 1 1 7 GLY HA3 H 6.384 6.337 -4.125 1.00 . A A . 7 GLY HA3 1 1 6 2998 1 1 7 GLY N N 7.773 5.058 -4.973 1.00 . A A . 7 GLY N 1 1 6 2999 1 1 7 GLY O O 6.851 5.760 -1.553 1.00 . A A . 7 GLY O 1 1 6 3000 1 1 8 CYS C C 8.851 2.279 -1.205 1.00 . A A . 8 CYS C 1 1 6 3001 1 1 8 CYS CA C 7.567 3.089 -1.367 1.00 . A A . 8 CYS CA 1 1 6 3002 1 1 8 CYS CB C 6.361 2.149 -1.414 1.00 . A A . 8 CYS CB 1 1 6 3003 1 1 8 CYS H H 7.931 3.504 -3.411 1.00 . A A . 8 CYS H 1 1 6 3004 1 1 8 CYS HA H 7.464 3.750 -0.521 1.00 . A A . 8 CYS HA 1 1 6 3005 1 1 8 CYS HB2 H 5.540 2.654 -1.902 1.00 . A A . 8 CYS HB2 1 1 6 3006 1 1 8 CYS HB3 H 6.622 1.268 -1.982 1.00 . A A . 8 CYS HB3 1 1 6 3007 1 1 8 CYS N N 7.619 3.907 -2.573 1.00 . A A . 8 CYS N 1 1 6 3008 1 1 8 CYS O O 9.548 1.999 -2.179 1.00 . A A . 8 CYS O 1 1 6 3009 1 1 8 CYS SG S 5.780 1.603 0.223 1.00 . A A . 8 CYS SG 1 1 6 3010 1 1 9 GLY C C 10.376 0.567 1.709 1.00 . A A . 9 GLY C 1 1 6 3011 1 1 9 GLY CA C 10.353 1.131 0.302 1.00 . A A . 9 GLY CA 1 1 6 3012 1 1 9 GLY H H 8.561 2.157 0.772 1.00 . A A . 9 GLY H 1 1 6 3013 1 1 9 GLY HA2 H 10.407 0.315 -0.403 1.00 . A A . 9 GLY HA2 1 1 6 3014 1 1 9 GLY HA3 H 11.216 1.767 0.168 1.00 . A A . 9 GLY HA3 1 1 6 3015 1 1 9 GLY N N 9.155 1.905 0.034 1.00 . A A . 9 GLY N 1 1 6 3016 1 1 9 GLY O O 9.425 0.742 2.472 1.00 . A A . 9 GLY O 1 1 6 3017 1 1 10 HIS C C 11.755 0.373 4.445 1.00 . A A . 10 HIS C 1 1 6 3018 1 1 10 HIS CA C 11.607 -0.708 3.379 1.00 . A A . 10 HIS CA 1 1 6 3019 1 1 10 HIS CB C 12.815 -1.644 3.414 1.00 . A A . 10 HIS CB 1 1 6 3020 1 1 10 HIS CD2 C 15.025 -0.301 3.221 1.00 . A A . 10 HIS CD2 1 1 6 3021 1 1 10 HIS CE1 C 15.449 -0.684 1.105 1.00 . A A . 10 HIS CE1 1 1 6 3022 1 1 10 HIS CG C 14.029 -1.082 2.741 1.00 . A A . 10 HIS CG 1 1 6 3023 1 1 10 HIS H H 12.188 -0.220 1.402 1.00 . A A . 10 HIS H 1 1 6 3024 1 1 10 HIS HA H 10.714 -1.279 3.584 1.00 . A A . 10 HIS HA 1 1 6 3025 1 1 10 HIS HB2 H 13.072 -1.851 4.442 1.00 . A A . 10 HIS HB2 1 1 6 3026 1 1 10 HIS HB3 H 12.559 -2.570 2.919 1.00 . A A . 10 HIS HB3 1 1 6 3027 1 1 10 HIS HD1 H 13.788 -1.836 0.789 1.00 . A A . 10 HIS HD1 1 1 6 3028 1 1 10 HIS HD2 H 15.119 0.071 4.232 1.00 . A A . 10 HIS HD2 1 1 6 3029 1 1 10 HIS HE1 H 15.925 -0.681 0.135 1.00 . A A . 10 HIS HE1 1 1 6 3030 1 1 10 HIS N N 11.464 -0.115 2.054 1.00 . A A . 10 HIS N 1 1 6 3031 1 1 10 HIS ND1 N 14.324 -1.303 1.413 1.00 . A A . 10 HIS ND1 1 1 6 3032 1 1 10 HIS NE2 N 15.895 -0.068 2.185 1.00 . A A . 10 HIS NE2 1 1 6 3033 1 1 10 HIS O O 12.675 1.190 4.393 1.00 . A A . 10 HIS O 1 1 6 3034 1 1 11 CYS C C 12.127 1.192 7.340 1.00 . A A . 11 CYS C 1 1 6 3035 1 1 11 CYS CA C 10.870 1.353 6.490 1.00 . A A . 11 CYS CA 1 1 6 3036 1 1 11 CYS CB C 9.626 1.210 7.369 1.00 . A A . 11 CYS CB 1 1 6 3037 1 1 11 CYS H H 10.133 -0.304 5.399 1.00 . A A . 11 CYS H 1 1 6 3038 1 1 11 CYS HA H 10.875 2.336 6.045 1.00 . A A . 11 CYS HA 1 1 6 3039 1 1 11 CYS HB2 H 9.564 2.061 8.032 1.00 . A A . 11 CYS HB2 1 1 6 3040 1 1 11 CYS HB3 H 8.749 1.188 6.738 1.00 . A A . 11 CYS HB3 1 1 6 3041 1 1 11 CYS N N 10.843 0.372 5.412 1.00 . A A . 11 CYS N 1 1 6 3042 1 1 11 CYS O O 12.819 0.177 7.258 1.00 . A A . 11 CYS O 1 1 6 3043 1 1 11 CYS SG S 9.609 -0.294 8.396 1.00 . A A . 11 CYS SG 1 1 6 3044 1 1 12 SER C C 13.388 3.059 10.243 1.00 . A A . 12 SER C 1 1 6 3045 1 1 12 SER CA C 13.592 2.173 9.018 1.00 . A A . 12 SER CA 1 1 6 3046 1 1 12 SER CB C 14.830 2.631 8.244 1.00 . A A . 12 SER CB 1 1 6 3047 1 1 12 SER H H 11.826 2.983 8.176 1.00 . A A . 12 SER H 1 1 6 3048 1 1 12 SER HA H 13.739 1.155 9.346 1.00 . A A . 12 SER HA 1 1 6 3049 1 1 12 SER HB2 H 15.228 1.799 7.683 1.00 . A A . 12 SER HB2 1 1 6 3050 1 1 12 SER HB3 H 14.553 3.424 7.565 1.00 . A A . 12 SER HB3 1 1 6 3051 1 1 12 SER HG H 16.015 2.448 9.793 1.00 . A A . 12 SER HG 1 1 6 3052 1 1 12 SER N N 12.417 2.200 8.156 1.00 . A A . 12 SER N 1 1 6 3053 1 1 12 SER O O 12.681 4.065 10.184 1.00 . A A . 12 SER O 1 1 6 3054 1 1 12 SER OG O 15.832 3.111 9.123 1.00 . A A . 12 SER OG 1 1 6 3055 1 1 13 ARG C C 13.954 4.936 12.319 1.00 . A A . 13 ARG C 1 1 6 3056 1 1 13 ARG CA C 13.899 3.436 12.593 1.00 . A A . 13 ARG CA 1 1 6 3057 1 1 13 ARG CB C 15.016 3.042 13.560 1.00 . A A . 13 ARG CB 1 1 6 3058 1 1 13 ARG CD C 15.069 1.425 15.484 1.00 . A A . 13 ARG CD 1 1 6 3059 1 1 13 ARG CG C 14.976 1.580 13.974 1.00 . A A . 13 ARG CG 1 1 6 3060 1 1 13 ARG CZ C 14.973 -0.441 17.082 1.00 . A A . 13 ARG CZ 1 1 6 3061 1 1 13 ARG H H 14.562 1.866 11.337 1.00 . A A . 13 ARG H 1 1 6 3062 1 1 13 ARG HA H 12.946 3.198 13.041 1.00 . A A . 13 ARG HA 1 1 6 3063 1 1 13 ARG HB2 H 15.969 3.233 13.089 1.00 . A A . 13 ARG HB2 1 1 6 3064 1 1 13 ARG HB3 H 14.936 3.648 14.450 1.00 . A A . 13 ARG HB3 1 1 6 3065 1 1 13 ARG HD2 H 16.098 1.558 15.783 1.00 . A A . 13 ARG HD2 1 1 6 3066 1 1 13 ARG HD3 H 14.458 2.185 15.948 1.00 . A A . 13 ARG HD3 1 1 6 3067 1 1 13 ARG HE H 14.006 -0.382 15.339 1.00 . A A . 13 ARG HE 1 1 6 3068 1 1 13 ARG HG2 H 14.047 1.145 13.636 1.00 . A A . 13 ARG HG2 1 1 6 3069 1 1 13 ARG HG3 H 15.806 1.063 13.516 1.00 . A A . 13 ARG HG3 1 1 6 3070 1 1 13 ARG HH11 H 16.138 1.108 17.652 1.00 . A A . 13 ARG HH11 1 1 6 3071 1 1 13 ARG HH12 H 16.061 -0.213 18.770 1.00 . A A . 13 ARG HH12 1 1 6 3072 1 1 13 ARG HH21 H 13.897 -2.129 16.802 1.00 . A A . 13 ARG HH21 1 1 6 3073 1 1 13 ARG HH22 H 14.787 -2.055 18.284 1.00 . A A . 13 ARG HH22 1 1 6 3074 1 1 13 ARG N N 14.013 2.678 11.353 1.00 . A A . 13 ARG N 1 1 6 3075 1 1 13 ARG NE N 14.612 0.112 15.929 1.00 . A A . 13 ARG NE 1 1 6 3076 1 1 13 ARG NH1 N 15.792 0.204 17.902 1.00 . A A . 13 ARG NH1 1 1 6 3077 1 1 13 ARG NH2 N 14.515 -1.640 17.417 1.00 . A A . 13 ARG NH2 1 1 6 3078 1 1 13 ARG O O 14.645 5.402 11.413 1.00 . A A . 13 ARG O 1 1 6 3079 1 1 14 PRO C C 11.182 4.387 13.679 1.00 . A A . 14 PRO C 1 1 6 3080 1 1 14 PRO CA C 12.383 5.168 14.203 1.00 . A A . 14 PRO CA 1 1 6 3081 1 1 14 PRO CB C 11.920 6.417 14.958 1.00 . A A . 14 PRO CB 1 1 6 3082 1 1 14 PRO CD C 13.115 7.179 13.032 1.00 . A A . 14 PRO CD 1 1 6 3083 1 1 14 PRO CG C 11.968 7.510 13.946 1.00 . A A . 14 PRO CG 1 1 6 3084 1 1 14 PRO HA H 12.959 4.539 14.865 1.00 . A A . 14 PRO HA 1 1 6 3085 1 1 14 PRO HB2 H 10.916 6.265 15.329 1.00 . A A . 14 PRO HB2 1 1 6 3086 1 1 14 PRO HB3 H 12.589 6.613 15.782 1.00 . A A . 14 PRO HB3 1 1 6 3087 1 1 14 PRO HD2 H 12.895 7.491 12.022 1.00 . A A . 14 PRO HD2 1 1 6 3088 1 1 14 PRO HD3 H 14.024 7.644 13.384 1.00 . A A . 14 PRO HD3 1 1 6 3089 1 1 14 PRO HG2 H 11.043 7.538 13.392 1.00 . A A . 14 PRO HG2 1 1 6 3090 1 1 14 PRO HG3 H 12.142 8.456 14.437 1.00 . A A . 14 PRO HG3 1 1 6 3091 1 1 14 PRO N N 13.209 5.712 13.121 1.00 . A A . 14 PRO N 1 1 6 3092 1 1 14 PRO O O 10.259 4.073 14.429 1.00 . A A . 14 PRO O 1 1 6 3093 1 1 15 ASN C C 10.300 1.830 11.962 1.00 . A A . 15 ASN C 1 1 6 3094 1 1 15 ASN CA C 10.115 3.331 11.764 1.00 . A A . 15 ASN CA 1 1 6 3095 1 1 15 ASN CB C 10.039 3.654 10.270 1.00 . A A . 15 ASN CB 1 1 6 3096 1 1 15 ASN CG C 10.372 5.104 9.974 1.00 . A A . 15 ASN CG 1 1 6 3097 1 1 15 ASN H H 11.966 4.354 11.840 1.00 . A A . 15 ASN H 1 1 6 3098 1 1 15 ASN HA H 9.192 3.634 12.236 1.00 . A A . 15 ASN HA 1 1 6 3099 1 1 15 ASN HB2 H 10.739 3.028 9.736 1.00 . A A . 15 ASN HB2 1 1 6 3100 1 1 15 ASN HB3 H 9.039 3.453 9.914 1.00 . A A . 15 ASN HB3 1 1 6 3101 1 1 15 ASN HD21 H 11.070 4.602 8.181 1.00 . A A . 15 ASN HD21 1 1 6 3102 1 1 15 ASN HD22 H 11.142 6.284 8.572 1.00 . A A . 15 ASN HD22 1 1 6 3103 1 1 15 ASN N N 11.202 4.076 12.387 1.00 . A A . 15 ASN N 1 1 6 3104 1 1 15 ASN ND2 N 10.916 5.355 8.789 1.00 . A A . 15 ASN ND2 1 1 6 3105 1 1 15 ASN O O 11.425 1.329 11.979 1.00 . A A . 15 ASN O 1 1 6 3106 1 1 15 ASN OD1 O 10.142 5.986 10.801 1.00 . A A . 15 ASN OD1 1 1 6 3107 1 1 16 TYR C C 8.064 -1.007 11.596 1.00 . A A . 16 TYR C 1 1 6 3108 1 1 16 TYR CA C 9.228 -0.327 12.310 1.00 . A A . 16 TYR CA 1 1 6 3109 1 1 16 TYR CB C 9.189 -0.658 13.803 1.00 . A A . 16 TYR CB 1 1 6 3110 1 1 16 TYR CD1 C 7.525 0.970 14.781 1.00 . A A . 16 TYR CD1 1 1 6 3111 1 1 16 TYR CD2 C 6.955 -1.344 14.760 1.00 . A A . 16 TYR CD2 1 1 6 3112 1 1 16 TYR CE1 C 6.317 1.267 15.381 1.00 . A A . 16 TYR CE1 1 1 6 3113 1 1 16 TYR CE2 C 5.744 -1.056 15.359 1.00 . A A . 16 TYR CE2 1 1 6 3114 1 1 16 TYR CG C 7.865 -0.338 14.459 1.00 . A A . 16 TYR CG 1 1 6 3115 1 1 16 TYR CZ C 5.430 0.251 15.668 1.00 . A A . 16 TYR CZ 1 1 6 3116 1 1 16 TYR H H 8.322 1.573 12.088 1.00 . A A . 16 TYR H 1 1 6 3117 1 1 16 TYR HA H 10.155 -0.694 11.894 1.00 . A A . 16 TYR HA 1 1 6 3118 1 1 16 TYR HB2 H 9.378 -1.712 13.935 1.00 . A A . 16 TYR HB2 1 1 6 3119 1 1 16 TYR HB3 H 9.957 -0.093 14.310 1.00 . A A . 16 TYR HB3 1 1 6 3120 1 1 16 TYR HD1 H 8.222 1.764 14.555 1.00 . A A . 16 TYR HD1 1 1 6 3121 1 1 16 TYR HD2 H 7.204 -2.367 14.517 1.00 . A A . 16 TYR HD2 1 1 6 3122 1 1 16 TYR HE1 H 6.070 2.290 15.623 1.00 . A A . 16 TYR HE1 1 1 6 3123 1 1 16 TYR HE2 H 5.049 -1.852 15.584 1.00 . A A . 16 TYR HE2 1 1 6 3124 1 1 16 TYR HH H 3.952 1.428 16.020 1.00 . A A . 16 TYR HH 1 1 6 3125 1 1 16 TYR N N 9.189 1.117 12.111 1.00 . A A . 16 TYR N 1 1 6 3126 1 1 16 TYR O O 7.273 -0.356 10.913 1.00 . A A . 16 TYR O 1 1 6 3127 1 1 16 TYR OH O 4.225 0.541 16.266 1.00 . A A . 16 TYR OH 1 1 6 3128 1 1 17 CYS C C 5.656 -3.121 12.015 1.00 . A A . 17 CYS C 1 1 6 3129 1 1 17 CYS CA C 6.899 -3.093 11.131 1.00 . A A . 17 CYS CA 1 1 6 3130 1 1 17 CYS CB C 7.371 -4.521 10.851 1.00 . A A . 17 CYS CB 1 1 6 3131 1 1 17 CYS H H 8.627 -2.786 12.315 1.00 . A A . 17 CYS H 1 1 6 3132 1 1 17 CYS HA H 6.651 -2.616 10.196 1.00 . A A . 17 CYS HA 1 1 6 3133 1 1 17 CYS HB2 H 8.157 -4.776 11.548 1.00 . A A . 17 CYS HB2 1 1 6 3134 1 1 17 CYS HB3 H 6.542 -5.200 10.988 1.00 . A A . 17 CYS HB3 1 1 6 3135 1 1 17 CYS N N 7.966 -2.322 11.759 1.00 . A A . 17 CYS N 1 1 6 3136 1 1 17 CYS O O 5.748 -3.310 13.227 1.00 . A A . 17 CYS O 1 1 6 3137 1 1 17 CYS SG S 8.023 -4.773 9.169 1.00 . A A . 17 CYS SG 1 1 6 3138 1 1 18 GLU C C 2.110 -3.520 11.275 1.00 . A A . 18 GLU C 1 1 6 3139 1 1 18 GLU CA C 3.232 -2.934 12.128 1.00 . A A . 18 GLU CA 1 1 6 3140 1 1 18 GLU CB C 2.866 -1.514 12.565 1.00 . A A . 18 GLU CB 1 1 6 3141 1 1 18 GLU CD C 1.854 -2.699 14.553 1.00 . A A . 18 GLU CD 1 1 6 3142 1 1 18 GLU CG C 1.825 -1.466 13.671 1.00 . A A . 18 GLU CG 1 1 6 3143 1 1 18 GLU H H 4.485 -2.786 10.428 1.00 . A A . 18 GLU H 1 1 6 3144 1 1 18 GLU HA H 3.358 -3.550 13.006 1.00 . A A . 18 GLU HA 1 1 6 3145 1 1 18 GLU HB2 H 3.759 -1.018 12.917 1.00 . A A . 18 GLU HB2 1 1 6 3146 1 1 18 GLU HB3 H 2.479 -0.977 11.712 1.00 . A A . 18 GLU HB3 1 1 6 3147 1 1 18 GLU HG2 H 2.011 -0.598 14.285 1.00 . A A . 18 GLU HG2 1 1 6 3148 1 1 18 GLU HG3 H 0.846 -1.385 13.222 1.00 . A A . 18 GLU HG3 1 1 6 3149 1 1 18 GLU N N 4.494 -2.932 11.397 1.00 . A A . 18 GLU N 1 1 6 3150 1 1 18 GLU O O 1.580 -2.856 10.386 1.00 . A A . 18 GLU O 1 1 6 3151 1 1 18 GLU OE1 O 2.591 -2.689 15.562 1.00 . A A . 18 GLU OE1 1 1 6 3152 1 1 18 GLU OE2 O 1.141 -3.674 14.236 1.00 . A A . 18 GLU OE2 1 1 6 3153 1 1 19 GLY C C -0.665 -5.239 11.437 1.00 . A A . 19 GLY C 1 1 6 3154 1 1 19 GLY CA C 0.699 -5.426 10.803 1.00 . A A . 19 GLY CA 1 1 6 3155 1 1 19 GLY H H 2.213 -5.253 12.274 1.00 . A A . 19 GLY H 1 1 6 3156 1 1 19 GLY HA2 H 0.678 -5.020 9.802 1.00 . A A . 19 GLY HA2 1 1 6 3157 1 1 19 GLY HA3 H 0.916 -6.483 10.747 1.00 . A A . 19 GLY HA3 1 1 6 3158 1 1 19 GLY N N 1.754 -4.771 11.553 1.00 . A A . 19 GLY N 1 1 6 3159 1 1 19 GLY O O -1.648 -5.834 10.996 1.00 . A A . 19 GLY O 1 1 6 3160 1 1 20 ALA C C -2.181 -2.654 13.390 1.00 . A A . 20 ALA C 1 1 6 3161 1 1 20 ALA CA C -1.978 -4.149 13.172 1.00 . A A . 20 ALA CA 1 1 6 3162 1 1 20 ALA CB C -2.009 -4.888 14.502 1.00 . A A . 20 ALA CB 1 1 6 3163 1 1 20 ALA H H 0.094 -3.968 12.781 1.00 . A A . 20 ALA H 1 1 6 3164 1 1 20 ALA HA H -2.785 -4.526 12.560 1.00 . A A . 20 ALA HA 1 1 6 3165 1 1 20 ALA HB1 H -2.903 -4.615 15.043 1.00 . A A . 20 ALA HB1 1 1 6 3166 1 1 20 ALA HB2 H -2.007 -5.952 14.322 1.00 . A A . 20 ALA HB2 1 1 6 3167 1 1 20 ALA HB3 H -1.140 -4.618 15.083 1.00 . A A . 20 ALA HB3 1 1 6 3168 1 1 20 ALA N N -0.725 -4.413 12.476 1.00 . A A . 20 ALA N 1 1 6 3169 1 1 20 ALA O O -2.968 -2.016 12.690 1.00 . A A . 20 ALA O 1 1 6 3170 1 1 21 ARG C C -0.327 -0.193 15.413 1.00 . A A . 21 ARG C 1 1 6 3171 1 1 21 ARG CA C -1.571 -0.680 14.676 1.00 . A A . 21 ARG CA 1 1 6 3172 1 1 21 ARG CB C -2.817 -0.411 15.522 1.00 . A A . 21 ARG CB 1 1 6 3173 1 1 21 ARG CD C -5.215 0.076 14.950 1.00 . A A . 21 ARG CD 1 1 6 3174 1 1 21 ARG CG C -3.781 0.579 14.890 1.00 . A A . 21 ARG CG 1 1 6 3175 1 1 21 ARG CZ C -7.157 0.204 16.452 1.00 . A A . 21 ARG CZ 1 1 6 3176 1 1 21 ARG H H -0.857 -2.661 14.888 1.00 . A A . 21 ARG H 1 1 6 3177 1 1 21 ARG HA H -1.657 -0.141 13.744 1.00 . A A . 21 ARG HA 1 1 6 3178 1 1 21 ARG HB2 H -3.342 -1.343 15.676 1.00 . A A . 21 ARG HB2 1 1 6 3179 1 1 21 ARG HB3 H -2.509 -0.019 16.480 1.00 . A A . 21 ARG HB3 1 1 6 3180 1 1 21 ARG HD2 H -5.758 0.478 14.107 1.00 . A A . 21 ARG HD2 1 1 6 3181 1 1 21 ARG HD3 H -5.207 -1.002 14.891 1.00 . A A . 21 ARG HD3 1 1 6 3182 1 1 21 ARG HE H -5.362 0.982 16.841 1.00 . A A . 21 ARG HE 1 1 6 3183 1 1 21 ARG HG2 H -3.718 1.518 15.421 1.00 . A A . 21 ARG HG2 1 1 6 3184 1 1 21 ARG HG3 H -3.503 0.728 13.857 1.00 . A A . 21 ARG HG3 1 1 6 3185 1 1 21 ARG HH11 H -7.486 -0.779 14.718 1.00 . A A . 21 ARG HH11 1 1 6 3186 1 1 21 ARG HH12 H -8.847 -0.682 15.786 1.00 . A A . 21 ARG HH12 1 1 6 3187 1 1 21 ARG HH21 H -7.146 1.116 18.256 1.00 . A A . 21 ARG HH21 1 1 6 3188 1 1 21 ARG HH22 H -8.653 0.397 17.798 1.00 . A A . 21 ARG HH22 1 1 6 3189 1 1 21 ARG N N -1.467 -2.100 14.365 1.00 . A A . 21 ARG N 1 1 6 3190 1 1 21 ARG NE N -5.886 0.480 16.182 1.00 . A A . 21 ARG NE 1 1 6 3191 1 1 21 ARG NH1 N -7.890 -0.474 15.580 1.00 . A A . 21 ARG NH1 1 1 6 3192 1 1 21 ARG NH2 N -7.696 0.605 17.596 1.00 . A A . 21 ARG NH2 1 1 6 3193 1 1 21 ARG O O 0.256 -0.920 16.217 1.00 . A A . 21 ARG O 1 1 6 3194 1 1 22 CYS C C 1.029 1.794 17.270 1.00 . A A . 22 CYS C 1 1 6 3195 1 1 22 CYS CA C 1.248 1.628 15.769 1.00 . A A . 22 CYS CA 1 1 6 3196 1 1 22 CYS CB C 1.573 2.984 15.137 1.00 . A A . 22 CYS CB 1 1 6 3197 1 1 22 CYS H H -0.433 1.575 14.484 1.00 . A A . 22 CYS H 1 1 6 3198 1 1 22 CYS HA H 2.080 0.959 15.610 1.00 . A A . 22 CYS HA 1 1 6 3199 1 1 22 CYS HB2 H 0.824 3.701 15.438 1.00 . A A . 22 CYS HB2 1 1 6 3200 1 1 22 CYS HB3 H 2.540 3.313 15.488 1.00 . A A . 22 CYS HB3 1 1 6 3201 1 1 22 CYS N N 0.074 1.043 15.134 1.00 . A A . 22 CYS N 1 1 6 3202 1 1 22 CYS O O -0.107 1.829 17.741 1.00 . A A . 22 CYS O 1 1 6 3203 1 1 22 CYS SG S 1.619 2.963 13.316 1.00 . A A . 22 CYS SG 1 1 6 3204 1 1 23 GLU C C 1.655 3.482 19.831 1.00 . A A . 23 GLU C 1 1 6 3205 1 1 23 GLU CA C 2.054 2.056 19.462 1.00 . A A . 23 GLU CA 1 1 6 3206 1 1 23 GLU CB C 3.398 1.708 20.104 1.00 . A A . 23 GLU CB 1 1 6 3207 1 1 23 GLU CD C 4.095 -0.664 20.625 1.00 . A A . 23 GLU CD 1 1 6 3208 1 1 23 GLU CG C 4.012 0.424 19.572 1.00 . A A . 23 GLU CG 1 1 6 3209 1 1 23 GLU H H 3.004 1.860 17.581 1.00 . A A . 23 GLU H 1 1 6 3210 1 1 23 GLU HA H 1.301 1.377 19.834 1.00 . A A . 23 GLU HA 1 1 6 3211 1 1 23 GLU HB2 H 4.090 2.517 19.923 1.00 . A A . 23 GLU HB2 1 1 6 3212 1 1 23 GLU HB3 H 3.256 1.599 21.169 1.00 . A A . 23 GLU HB3 1 1 6 3213 1 1 23 GLU HG2 H 3.409 0.064 18.752 1.00 . A A . 23 GLU HG2 1 1 6 3214 1 1 23 GLU HG3 H 5.010 0.638 19.217 1.00 . A A . 23 GLU HG3 1 1 6 3215 1 1 23 GLU N N 2.126 1.895 18.015 1.00 . A A . 23 GLU N 1 1 6 3216 1 1 23 GLU O O 1.587 4.361 18.972 1.00 . A A . 23 GLU O 1 1 6 3217 1 1 23 GLU OE1 O 4.833 -1.647 20.405 1.00 . A A . 23 GLU OE1 1 1 6 3218 1 1 23 GLU OE2 O 3.423 -0.532 21.669 1.00 . A A . 23 GLU OE2 1 1 6 3219 1 1 24 SER C C 2.177 5.988 21.567 1.00 . A A . 24 SER C 1 1 6 3220 1 1 24 SER CA C 0.998 5.021 21.599 1.00 . A A . 24 SER CA 1 1 6 3221 1 1 24 SER CB C 0.445 4.920 23.022 1.00 . A A . 24 SER CB 1 1 6 3222 1 1 24 SER H H 1.466 2.962 21.753 1.00 . A A . 24 SER H 1 1 6 3223 1 1 24 SER HA H 0.223 5.394 20.946 1.00 . A A . 24 SER HA 1 1 6 3224 1 1 24 SER HB2 H 0.781 3.999 23.472 1.00 . A A . 24 SER HB2 1 1 6 3225 1 1 24 SER HB3 H 0.802 5.757 23.604 1.00 . A A . 24 SER HB3 1 1 6 3226 1 1 24 SER HG H -1.303 4.051 23.189 1.00 . A A . 24 SER HG 1 1 6 3227 1 1 24 SER N N 1.393 3.703 21.116 1.00 . A A . 24 SER N 1 1 6 3228 1 1 24 SER O O 2.348 6.806 22.470 1.00 . A A . 24 SER O 1 1 6 3229 1 1 24 SER OG O -0.972 4.937 23.021 1.00 . A A . 24 SER OG 1 1 6 3230 1 1 25 GLY C C 4.678 6.801 18.970 1.00 . A A . 25 GLY C 1 1 6 3231 1 1 25 GLY CA C 4.142 6.759 20.387 1.00 . A A . 25 GLY CA 1 1 6 3232 1 1 25 GLY H H 2.803 5.216 19.829 1.00 . A A . 25 GLY H 1 1 6 3233 1 1 25 GLY HA2 H 3.860 7.758 20.684 1.00 . A A . 25 GLY HA2 1 1 6 3234 1 1 25 GLY HA3 H 4.923 6.405 21.044 1.00 . A A . 25 GLY HA3 1 1 6 3235 1 1 25 GLY N N 2.989 5.888 20.518 1.00 . A A . 25 GLY N 1 1 6 3236 1 1 25 GLY O O 5.761 7.331 18.723 1.00 . A A . 25 GLY O 1 1 6 3237 1 1 26 PHE C C 3.166 6.605 15.724 1.00 . A A . 26 PHE C 1 1 6 3238 1 1 26 PHE CA C 4.325 6.212 16.634 1.00 . A A . 26 PHE CA 1 1 6 3239 1 1 26 PHE CB C 4.835 4.820 16.256 1.00 . A A . 26 PHE CB 1 1 6 3240 1 1 26 PHE CD1 C 6.043 4.273 18.387 1.00 . A A . 26 PHE CD1 1 1 6 3241 1 1 26 PHE CD2 C 7.255 4.159 16.336 1.00 . A A . 26 PHE CD2 1 1 6 3242 1 1 26 PHE CE1 C 7.176 3.895 19.082 1.00 . A A . 26 PHE CE1 1 1 6 3243 1 1 26 PHE CE2 C 8.391 3.780 17.026 1.00 . A A . 26 PHE CE2 1 1 6 3244 1 1 26 PHE CG C 6.069 4.409 17.008 1.00 . A A . 26 PHE CG 1 1 6 3245 1 1 26 PHE CZ C 8.352 3.649 18.400 1.00 . A A . 26 PHE CZ 1 1 6 3246 1 1 26 PHE H H 3.065 5.832 18.293 1.00 . A A . 26 PHE H 1 1 6 3247 1 1 26 PHE HA H 5.124 6.925 16.508 1.00 . A A . 26 PHE HA 1 1 6 3248 1 1 26 PHE HB2 H 4.064 4.093 16.463 1.00 . A A . 26 PHE HB2 1 1 6 3249 1 1 26 PHE HB3 H 5.067 4.803 15.202 1.00 . A A . 26 PHE HB3 1 1 6 3250 1 1 26 PHE HD1 H 5.123 4.466 18.921 1.00 . A A . 26 PHE HD1 1 1 6 3251 1 1 26 PHE HD2 H 7.287 4.261 15.261 1.00 . A A . 26 PHE HD2 1 1 6 3252 1 1 26 PHE HE1 H 7.142 3.794 20.156 1.00 . A A . 26 PHE HE1 1 1 6 3253 1 1 26 PHE HE2 H 9.309 3.588 16.491 1.00 . A A . 26 PHE HE2 1 1 6 3254 1 1 26 PHE HZ H 9.238 3.353 18.941 1.00 . A A . 26 PHE HZ 1 1 6 3255 1 1 26 PHE N N 3.919 6.239 18.035 1.00 . A A . 26 PHE N 1 1 6 3256 1 1 26 PHE O O 2.058 6.875 16.191 1.00 . A A . 26 PHE O 1 1 6 3257 1 1 27 HIS C C 2.476 6.084 12.224 1.00 . A A . 27 HIS C 1 1 6 3258 1 1 27 HIS CA C 2.407 6.998 13.444 1.00 . A A . 27 HIS CA 1 1 6 3259 1 1 27 HIS CB C 2.575 8.455 13.014 1.00 . A A . 27 HIS CB 1 1 6 3260 1 1 27 HIS CD2 C 4.934 8.803 11.995 1.00 . A A . 27 HIS CD2 1 1 6 3261 1 1 27 HIS CE1 C 5.870 9.825 13.695 1.00 . A A . 27 HIS CE1 1 1 6 3262 1 1 27 HIS CG C 4.002 8.907 12.971 1.00 . A A . 27 HIS CG 1 1 6 3263 1 1 27 HIS H H 4.330 6.412 14.110 1.00 . A A . 27 HIS H 1 1 6 3264 1 1 27 HIS HA H 1.442 6.878 13.913 1.00 . A A . 27 HIS HA 1 1 6 3265 1 1 27 HIS HB2 H 2.157 8.583 12.027 1.00 . A A . 27 HIS HB2 1 1 6 3266 1 1 27 HIS HB3 H 2.045 9.092 13.709 1.00 . A A . 27 HIS HB3 1 1 6 3267 1 1 27 HIS HD1 H 4.203 9.775 14.880 1.00 . A A . 27 HIS HD1 1 1 6 3268 1 1 27 HIS HD2 H 4.798 8.350 11.023 1.00 . A A . 27 HIS HD2 1 1 6 3269 1 1 27 HIS HE1 H 6.593 10.326 14.321 1.00 . A A . 27 HIS HE1 1 1 6 3270 1 1 27 HIS N N 3.428 6.637 14.421 1.00 . A A . 27 HIS N 1 1 6 3271 1 1 27 HIS ND1 N 4.620 9.551 14.023 1.00 . A A . 27 HIS ND1 1 1 6 3272 1 1 27 HIS NE2 N 6.086 9.381 12.470 1.00 . A A . 27 HIS NE2 1 1 6 3273 1 1 27 HIS O O 3.543 5.894 11.639 1.00 . A A . 27 HIS O 1 1 6 3274 1 1 28 ASP C C 1.757 5.330 9.433 1.00 . A A . 28 ASP C 1 1 6 3275 1 1 28 ASP CA C 1.264 4.629 10.696 1.00 . A A . 28 ASP CA 1 1 6 3276 1 1 28 ASP CB C -0.169 4.134 10.493 1.00 . A A . 28 ASP CB 1 1 6 3277 1 1 28 ASP CG C -0.389 3.549 9.112 1.00 . A A . 28 ASP CG 1 1 6 3278 1 1 28 ASP H H 0.516 5.713 12.353 1.00 . A A . 28 ASP H 1 1 6 3279 1 1 28 ASP HA H 1.903 3.782 10.894 1.00 . A A . 28 ASP HA 1 1 6 3280 1 1 28 ASP HB2 H -0.386 3.370 11.226 1.00 . A A . 28 ASP HB2 1 1 6 3281 1 1 28 ASP HB3 H -0.851 4.961 10.627 1.00 . A A . 28 ASP HB3 1 1 6 3282 1 1 28 ASP N N 1.333 5.522 11.846 1.00 . A A . 28 ASP N 1 1 6 3283 1 1 28 ASP O O 1.148 6.293 8.967 1.00 . A A . 28 ASP O 1 1 6 3284 1 1 28 ASP OD1 O -1.498 3.721 8.564 1.00 . A A . 28 ASP OD1 1 1 6 3285 1 1 28 ASP OD2 O 0.548 2.918 8.579 1.00 . A A . 28 ASP OD2 1 1 6 3286 1 1 29 CYS C C 3.476 4.395 6.546 1.00 . A A . 29 CYS C 1 1 6 3287 1 1 29 CYS CA C 3.440 5.419 7.677 1.00 . A A . 29 CYS CA 1 1 6 3288 1 1 29 CYS CB C 4.853 5.935 7.958 1.00 . A A . 29 CYS CB 1 1 6 3289 1 1 29 CYS H H 3.304 4.070 9.302 1.00 . A A . 29 CYS H 1 1 6 3290 1 1 29 CYS HA H 2.817 6.248 7.377 1.00 . A A . 29 CYS HA 1 1 6 3291 1 1 29 CYS HB2 H 5.348 6.136 7.019 1.00 . A A . 29 CYS HB2 1 1 6 3292 1 1 29 CYS HB3 H 4.787 6.850 8.528 1.00 . A A . 29 CYS HB3 1 1 6 3293 1 1 29 CYS N N 2.864 4.840 8.885 1.00 . A A . 29 CYS N 1 1 6 3294 1 1 29 CYS O O 4.274 4.509 5.617 1.00 . A A . 29 CYS O 1 1 6 3295 1 1 29 CYS SG S 5.896 4.772 8.895 1.00 . A A . 29 CYS SG 1 1 6 3296 1 1 30 GLY C C 2.384 2.939 4.219 1.00 . A A . 30 GLY C 1 1 6 3297 1 1 30 GLY CA C 2.554 2.365 5.612 1.00 . A A . 30 GLY CA 1 1 6 3298 1 1 30 GLY H H 1.993 3.355 7.398 1.00 . A A . 30 GLY H 1 1 6 3299 1 1 30 GLY HA2 H 3.469 1.793 5.646 1.00 . A A . 30 GLY HA2 1 1 6 3300 1 1 30 GLY HA3 H 1.722 1.708 5.821 1.00 . A A . 30 GLY HA3 1 1 6 3301 1 1 30 GLY N N 2.605 3.395 6.633 1.00 . A A . 30 GLY N 1 1 6 3302 1 1 30 GLY O O 2.546 2.231 3.225 1.00 . A A . 30 GLY O 1 1 6 3303 1 1 31 SER C C 2.968 4.525 1.885 1.00 . A A . 31 SER C 1 1 6 3304 1 1 31 SER CA C 1.858 4.891 2.864 1.00 . A A . 31 SER CA 1 1 6 3305 1 1 31 SER CB C 1.812 6.408 3.057 1.00 . A A . 31 SER CB 1 1 6 3306 1 1 31 SER H H 1.940 4.736 4.974 1.00 . A A . 31 SER H 1 1 6 3307 1 1 31 SER HA H 0.913 4.560 2.460 1.00 . A A . 31 SER HA 1 1 6 3308 1 1 31 SER HB2 H 1.778 6.634 4.112 1.00 . A A . 31 SER HB2 1 1 6 3309 1 1 31 SER HB3 H 2.698 6.850 2.623 1.00 . A A . 31 SER HB3 1 1 6 3310 1 1 31 SER HG H 0.811 7.009 1.484 1.00 . A A . 31 SER HG 1 1 6 3311 1 1 31 SER N N 2.055 4.224 4.146 1.00 . A A . 31 SER N 1 1 6 3312 1 1 31 SER O O 2.742 3.799 0.916 1.00 . A A . 31 SER O 1 1 6 3313 1 1 31 SER OG O 0.670 6.968 2.433 1.00 . A A . 31 SER OG 1 1 6 3314 1 1 32 ASP C C 6.306 3.830 1.984 1.00 . A A . 32 ASP C 1 1 6 3315 1 1 32 ASP CA C 5.316 4.758 1.286 1.00 . A A . 32 ASP CA 1 1 6 3316 1 1 32 ASP CB C 6.010 6.063 0.895 1.00 . A A . 32 ASP CB 1 1 6 3317 1 1 32 ASP CG C 5.987 7.089 2.011 1.00 . A A . 32 ASP CG 1 1 6 3318 1 1 32 ASP H H 4.286 5.603 2.932 1.00 . A A . 32 ASP H 1 1 6 3319 1 1 32 ASP HA H 4.954 4.271 0.393 1.00 . A A . 32 ASP HA 1 1 6 3320 1 1 32 ASP HB2 H 7.040 5.855 0.644 1.00 . A A . 32 ASP HB2 1 1 6 3321 1 1 32 ASP HB3 H 5.512 6.484 0.033 1.00 . A A . 32 ASP HB3 1 1 6 3322 1 1 32 ASP N N 4.168 5.032 2.144 1.00 . A A . 32 ASP N 1 1 6 3323 1 1 32 ASP O O 7.513 3.905 1.750 1.00 . A A . 32 ASP O 1 1 6 3324 1 1 32 ASP OD1 O 6.329 6.727 3.157 1.00 . A A . 32 ASP OD1 1 1 6 3325 1 1 32 ASP OD2 O 5.629 8.253 1.739 1.00 . A A . 32 ASP OD2 1 1 6 3326 1 1 33 HIS C C 5.880 0.710 3.833 1.00 . A A . 33 HIS C 1 1 6 3327 1 1 33 HIS CA C 6.627 2.015 3.574 1.00 . A A . 33 HIS CA 1 1 6 3328 1 1 33 HIS CB C 7.082 2.628 4.899 1.00 . A A . 33 HIS CB 1 1 6 3329 1 1 33 HIS CD2 C 8.855 4.299 4.009 1.00 . A A . 33 HIS CD2 1 1 6 3330 1 1 33 HIS CE1 C 8.157 6.094 5.058 1.00 . A A . 33 HIS CE1 1 1 6 3331 1 1 33 HIS CG C 7.773 3.948 4.742 1.00 . A A . 33 HIS CG 1 1 6 3332 1 1 33 HIS H H 4.819 2.946 2.986 1.00 . A A . 33 HIS H 1 1 6 3333 1 1 33 HIS HA H 7.495 1.804 2.968 1.00 . A A . 33 HIS HA 1 1 6 3334 1 1 33 HIS HB2 H 6.221 2.777 5.533 1.00 . A A . 33 HIS HB2 1 1 6 3335 1 1 33 HIS HB3 H 7.768 1.949 5.385 1.00 . A A . 33 HIS HB3 1 1 6 3336 1 1 33 HIS HD1 H 6.595 5.164 5.996 1.00 . A A . 33 HIS HD1 1 1 6 3337 1 1 33 HIS HD2 H 9.439 3.648 3.374 1.00 . A A . 33 HIS HD2 1 1 6 3338 1 1 33 HIS HE1 H 8.075 7.111 5.410 1.00 . A A . 33 HIS HE1 1 1 6 3339 1 1 33 HIS N N 5.788 2.957 2.842 1.00 . A A . 33 HIS N 1 1 6 3340 1 1 33 HIS ND1 N 7.360 5.094 5.388 1.00 . A A . 33 HIS ND1 1 1 6 3341 1 1 33 HIS NE2 N 9.073 5.638 4.222 1.00 . A A . 33 HIS NE2 1 1 6 3342 1 1 33 HIS O O 4.828 0.703 4.473 1.00 . A A . 33 HIS O 1 1 6 3343 1 1 34 TRP C C 6.731 -2.631 4.297 1.00 . A A . 34 TRP C 1 1 6 3344 1 1 34 TRP CA C 5.814 -1.700 3.510 1.00 . A A . 34 TRP CA 1 1 6 3345 1 1 34 TRP CB C 5.484 -2.319 2.151 1.00 . A A . 34 TRP CB 1 1 6 3346 1 1 34 TRP CD1 C 6.150 -1.212 -0.062 1.00 . A A . 34 TRP CD1 1 1 6 3347 1 1 34 TRP CD2 C 7.842 -2.210 1.014 1.00 . A A . 34 TRP CD2 1 1 6 3348 1 1 34 TRP CE2 C 8.337 -1.646 -0.178 1.00 . A A . 34 TRP CE2 1 1 6 3349 1 1 34 TRP CE3 C 8.726 -2.890 1.856 1.00 . A A . 34 TRP CE3 1 1 6 3350 1 1 34 TRP CG C 6.441 -1.921 1.068 1.00 . A A . 34 TRP CG 1 1 6 3351 1 1 34 TRP CH2 C 10.520 -2.413 0.298 1.00 . A A . 34 TRP CH2 1 1 6 3352 1 1 34 TRP CZ2 C 9.677 -1.742 -0.546 1.00 . A A . 34 TRP CZ2 1 1 6 3353 1 1 34 TRP CZ3 C 10.055 -2.985 1.489 1.00 . A A . 34 TRP CZ3 1 1 6 3354 1 1 34 TRP H H 7.270 -0.320 2.832 1.00 . A A . 34 TRP H 1 1 6 3355 1 1 34 TRP HA H 4.898 -1.563 4.065 1.00 . A A . 34 TRP HA 1 1 6 3356 1 1 34 TRP HB2 H 5.507 -3.395 2.237 1.00 . A A . 34 TRP HB2 1 1 6 3357 1 1 34 TRP HB3 H 4.493 -2.007 1.853 1.00 . A A . 34 TRP HB3 1 1 6 3358 1 1 34 TRP HD1 H 5.166 -0.846 -0.314 1.00 . A A . 34 TRP HD1 1 1 6 3359 1 1 34 TRP HE1 H 7.335 -0.567 -1.672 1.00 . A A . 34 TRP HE1 1 1 6 3360 1 1 34 TRP HE3 H 8.386 -3.337 2.778 1.00 . A A . 34 TRP HE3 1 1 6 3361 1 1 34 TRP HH2 H 11.566 -2.512 0.051 1.00 . A A . 34 TRP HH2 1 1 6 3362 1 1 34 TRP HZ2 H 10.051 -1.306 -1.460 1.00 . A A . 34 TRP HZ2 1 1 6 3363 1 1 34 TRP HZ3 H 10.753 -3.507 2.127 1.00 . A A . 34 TRP HZ3 1 1 6 3364 1 1 34 TRP N N 6.430 -0.390 3.333 1.00 . A A . 34 TRP N 1 1 6 3365 1 1 34 TRP NE1 N 7.286 -1.043 -0.816 1.00 . A A . 34 TRP NE1 1 1 6 3366 1 1 34 TRP O O 7.901 -2.320 4.523 1.00 . A A . 34 TRP O 1 1 6 3367 1 1 35 CYS C C 7.323 -5.953 4.608 1.00 . A A . 35 CYS C 1 1 6 3368 1 1 35 CYS CA C 6.963 -4.749 5.473 1.00 . A A . 35 CYS CA 1 1 6 3369 1 1 35 CYS CB C 6.173 -5.207 6.700 1.00 . A A . 35 CYS CB 1 1 6 3370 1 1 35 CYS H H 5.255 -3.965 4.499 1.00 . A A . 35 CYS H 1 1 6 3371 1 1 35 CYS HA H 7.874 -4.271 5.800 1.00 . A A . 35 CYS HA 1 1 6 3372 1 1 35 CYS HB2 H 5.128 -5.281 6.439 1.00 . A A . 35 CYS HB2 1 1 6 3373 1 1 35 CYS HB3 H 6.532 -6.178 7.008 1.00 . A A . 35 CYS HB3 1 1 6 3374 1 1 35 CYS N N 6.194 -3.773 4.711 1.00 . A A . 35 CYS N 1 1 6 3375 1 1 35 CYS O O 6.827 -6.098 3.490 1.00 . A A . 35 CYS O 1 1 6 3376 1 1 35 CYS SG S 6.306 -4.087 8.131 1.00 . A A . 35 CYS SG 1 1 6 3377 1 1 36 ASP C C 7.418 -8.720 3.785 1.00 . A A . 36 ASP C 1 1 6 3378 1 1 36 ASP CA C 8.614 -8.007 4.409 1.00 . A A . 36 ASP CA 1 1 6 3379 1 1 36 ASP CB C 9.359 -8.959 5.346 1.00 . A A . 36 ASP CB 1 1 6 3380 1 1 36 ASP CG C 10.843 -8.656 5.419 1.00 . A A . 36 ASP CG 1 1 6 3381 1 1 36 ASP H H 8.549 -6.644 6.027 1.00 . A A . 36 ASP H 1 1 6 3382 1 1 36 ASP HA H 9.282 -7.696 3.621 1.00 . A A . 36 ASP HA 1 1 6 3383 1 1 36 ASP HB2 H 8.944 -8.873 6.340 1.00 . A A . 36 ASP HB2 1 1 6 3384 1 1 36 ASP HB3 H 9.233 -9.972 4.994 1.00 . A A . 36 ASP HB3 1 1 6 3385 1 1 36 ASP N N 8.188 -6.814 5.132 1.00 . A A . 36 ASP N 1 1 6 3386 1 1 36 ASP O O 7.495 -9.217 2.662 1.00 . A A . 36 ASP O 1 1 6 3387 1 1 36 ASP OD1 O 11.561 -8.972 4.447 1.00 . A A . 36 ASP OD1 1 1 6 3388 1 1 36 ASP OD2 O 11.285 -8.102 6.446 1.00 . A A . 36 ASP OD2 1 1 6 3389 1 1 37 ALA C C 4.169 -8.416 3.369 1.00 . A A . 37 ALA C 1 1 6 3390 1 1 37 ALA CA C 5.101 -9.418 4.042 1.00 . A A . 37 ALA CA 1 1 6 3391 1 1 37 ALA CB C 4.387 -10.118 5.189 1.00 . A A . 37 ALA CB 1 1 6 3392 1 1 37 ALA H H 6.313 -8.353 5.411 1.00 . A A . 37 ALA H 1 1 6 3393 1 1 37 ALA HA H 5.389 -10.168 3.319 1.00 . A A . 37 ALA HA 1 1 6 3394 1 1 37 ALA HB1 H 4.096 -11.111 4.879 1.00 . A A . 37 ALA HB1 1 1 6 3395 1 1 37 ALA HB2 H 5.050 -10.185 6.038 1.00 . A A . 37 ALA HB2 1 1 6 3396 1 1 37 ALA HB3 H 3.508 -9.554 5.463 1.00 . A A . 37 ALA HB3 1 1 6 3397 1 1 37 ALA N N 6.313 -8.767 4.523 1.00 . A A . 37 ALA N 1 1 6 3398 1 1 37 ALA O O 3.746 -7.438 3.984 1.00 . A A . 37 ALA O 1 1 6 3399 1 1 38 SER C C 1.620 -7.647 2.028 1.00 . A A . 38 SER C 1 1 6 3400 1 1 38 SER CA C 2.977 -7.783 1.343 1.00 . A A . 38 SER CA 1 1 6 3401 1 1 38 SER CB C 2.791 -8.312 -0.080 1.00 . A A . 38 SER CB 1 1 6 3402 1 1 38 SER H H 4.224 -9.463 1.666 1.00 . A A . 38 SER H 1 1 6 3403 1 1 38 SER HA H 3.444 -6.810 1.299 1.00 . A A . 38 SER HA 1 1 6 3404 1 1 38 SER HB2 H 2.022 -9.069 -0.082 1.00 . A A . 38 SER HB2 1 1 6 3405 1 1 38 SER HB3 H 2.498 -7.499 -0.728 1.00 . A A . 38 SER HB3 1 1 6 3406 1 1 38 SER HG H 4.727 -8.292 -0.381 1.00 . A A . 38 SER HG 1 1 6 3407 1 1 38 SER N N 3.855 -8.666 2.102 1.00 . A A . 38 SER N 1 1 6 3408 1 1 38 SER O O 0.642 -8.274 1.624 1.00 . A A . 38 SER O 1 1 6 3409 1 1 38 SER OG O 3.993 -8.879 -0.574 1.00 . A A . 38 SER OG 1 1 6 3410 1 1 39 GLY C C 0.536 -5.865 5.095 1.00 . A A . 39 GLY C 1 1 6 3411 1 1 39 GLY CA C 0.330 -6.617 3.795 1.00 . A A . 39 GLY CA 1 1 6 3412 1 1 39 GLY H H 2.382 -6.348 3.347 1.00 . A A . 39 GLY H 1 1 6 3413 1 1 39 GLY HA2 H -0.351 -6.057 3.171 1.00 . A A . 39 GLY HA2 1 1 6 3414 1 1 39 GLY HA3 H -0.108 -7.580 4.015 1.00 . A A . 39 GLY HA3 1 1 6 3415 1 1 39 GLY N N 1.570 -6.821 3.070 1.00 . A A . 39 GLY N 1 1 6 3416 1 1 39 GLY O O -0.395 -5.255 5.621 1.00 . A A . 39 GLY O 1 1 6 3417 1 1 40 ASP C C 2.531 -3.793 6.597 1.00 . A A . 40 ASP C 1 1 6 3418 1 1 40 ASP CA C 2.083 -5.227 6.862 1.00 . A A . 40 ASP CA 1 1 6 3419 1 1 40 ASP CB C 3.178 -5.986 7.613 1.00 . A A . 40 ASP CB 1 1 6 3420 1 1 40 ASP CG C 2.615 -6.995 8.594 1.00 . A A . 40 ASP CG 1 1 6 3421 1 1 40 ASP H H 2.458 -6.412 5.148 1.00 . A A . 40 ASP H 1 1 6 3422 1 1 40 ASP HA H 1.191 -5.205 7.471 1.00 . A A . 40 ASP HA 1 1 6 3423 1 1 40 ASP HB2 H 3.796 -6.512 6.900 1.00 . A A . 40 ASP HB2 1 1 6 3424 1 1 40 ASP HB3 H 3.786 -5.280 8.159 1.00 . A A . 40 ASP HB3 1 1 6 3425 1 1 40 ASP N N 1.757 -5.909 5.615 1.00 . A A . 40 ASP N 1 1 6 3426 1 1 40 ASP O O 3.382 -3.547 5.742 1.00 . A A . 40 ASP O 1 1 6 3427 1 1 40 ASP OD1 O 3.293 -7.285 9.602 1.00 . A A . 40 ASP OD1 1 1 6 3428 1 1 40 ASP OD2 O 1.496 -7.494 8.355 1.00 . A A . 40 ASP OD2 1 1 6 3429 1 1 41 ARG C C 3.367 -1.027 8.172 1.00 . A A . 41 ARG C 1 1 6 3430 1 1 41 ARG CA C 2.289 -1.442 7.176 1.00 . A A . 41 ARG CA 1 1 6 3431 1 1 41 ARG CB C 1.044 -0.573 7.364 1.00 . A A . 41 ARG CB 1 1 6 3432 1 1 41 ARG CD C -1.201 -0.329 8.467 1.00 . A A . 41 ARG CD 1 1 6 3433 1 1 41 ARG CG C -0.106 -1.296 8.045 1.00 . A A . 41 ARG CG 1 1 6 3434 1 1 41 ARG CZ C -2.170 0.597 6.407 1.00 . A A . 41 ARG CZ 1 1 6 3435 1 1 41 ARG H H 1.280 -3.110 7.999 1.00 . A A . 41 ARG H 1 1 6 3436 1 1 41 ARG HA H 2.667 -1.301 6.175 1.00 . A A . 41 ARG HA 1 1 6 3437 1 1 41 ARG HB2 H 1.306 0.286 7.965 1.00 . A A . 41 ARG HB2 1 1 6 3438 1 1 41 ARG HB3 H 0.706 -0.236 6.396 1.00 . A A . 41 ARG HB3 1 1 6 3439 1 1 41 ARG HD2 H -1.640 -0.683 9.388 1.00 . A A . 41 ARG HD2 1 1 6 3440 1 1 41 ARG HD3 H -0.760 0.643 8.630 1.00 . A A . 41 ARG HD3 1 1 6 3441 1 1 41 ARG HE H -3.050 -0.765 7.568 1.00 . A A . 41 ARG HE 1 1 6 3442 1 1 41 ARG HG2 H -0.524 -2.017 7.357 1.00 . A A . 41 ARG HG2 1 1 6 3443 1 1 41 ARG HG3 H 0.269 -1.807 8.919 1.00 . A A . 41 ARG HG3 1 1 6 3444 1 1 41 ARG HH11 H -0.346 1.321 6.888 1.00 . A A . 41 ARG HH11 1 1 6 3445 1 1 41 ARG HH12 H -1.041 1.965 5.438 1.00 . A A . 41 ARG HH12 1 1 6 3446 1 1 41 ARG HH21 H -3.975 0.076 5.660 1.00 . A A . 41 ARG HH21 1 1 6 3447 1 1 41 ARG HH22 H -3.105 1.257 4.740 1.00 . A A . 41 ARG HH22 1 1 6 3448 1 1 41 ARG N N 1.951 -2.851 7.334 1.00 . A A . 41 ARG N 1 1 6 3449 1 1 41 ARG NE N -2.249 -0.212 7.457 1.00 . A A . 41 ARG NE 1 1 6 3450 1 1 41 ARG NH1 N -1.098 1.357 6.230 1.00 . A A . 41 ARG NH1 1 1 6 3451 1 1 41 ARG NH2 N -3.165 0.647 5.530 1.00 . A A . 41 ARG NH2 1 1 6 3452 1 1 41 ARG O O 3.261 -1.298 9.368 1.00 . A A . 41 ARG O 1 1 6 3453 1 1 42 CYS C C 5.139 1.379 9.238 1.00 . A A . 42 CYS C 1 1 6 3454 1 1 42 CYS CA C 5.505 0.086 8.515 1.00 . A A . 42 CYS CA 1 1 6 3455 1 1 42 CYS CB C 6.767 0.297 7.676 1.00 . A A . 42 CYS CB 1 1 6 3456 1 1 42 CYS H H 4.435 -0.180 6.708 1.00 . A A . 42 CYS H 1 1 6 3457 1 1 42 CYS HA H 5.697 -0.681 9.250 1.00 . A A . 42 CYS HA 1 1 6 3458 1 1 42 CYS HB2 H 6.480 0.555 6.667 1.00 . A A . 42 CYS HB2 1 1 6 3459 1 1 42 CYS HB3 H 7.341 1.107 8.100 1.00 . A A . 42 CYS HB3 1 1 6 3460 1 1 42 CYS N N 4.406 -0.367 7.671 1.00 . A A . 42 CYS N 1 1 6 3461 1 1 42 CYS O O 4.643 2.326 8.626 1.00 . A A . 42 CYS O 1 1 6 3462 1 1 42 CYS SG S 7.852 -1.164 7.584 1.00 . A A . 42 CYS SG 1 1 6 3463 1 1 43 CYS C C 6.321 3.467 11.514 1.00 . A A . 43 CYS C 1 1 6 3464 1 1 43 CYS CA C 5.085 2.587 11.350 1.00 . A A . 43 CYS CA 1 1 6 3465 1 1 43 CYS CB C 4.559 2.167 12.724 1.00 . A A . 43 CYS CB 1 1 6 3466 1 1 43 CYS H H 5.784 0.625 10.974 1.00 . A A . 43 CYS H 1 1 6 3467 1 1 43 CYS HA H 4.321 3.153 10.839 1.00 . A A . 43 CYS HA 1 1 6 3468 1 1 43 CYS HB2 H 5.197 1.391 13.123 1.00 . A A . 43 CYS HB2 1 1 6 3469 1 1 43 CYS HB3 H 4.581 3.020 13.386 1.00 . A A . 43 CYS HB3 1 1 6 3470 1 1 43 CYS N N 5.388 1.412 10.543 1.00 . A A . 43 CYS N 1 1 6 3471 1 1 43 CYS O O 7.448 3.018 11.308 1.00 . A A . 43 CYS O 1 1 6 3472 1 1 43 CYS SG S 2.855 1.524 12.702 1.00 . A A . 43 CYS SG 1 1 6 3473 1 1 44 CYS C C 6.987 6.490 13.347 1.00 . A A . 44 CYS C 1 1 6 3474 1 1 44 CYS CA C 7.194 5.668 12.078 1.00 . A A . 44 CYS CA 1 1 6 3475 1 1 44 CYS CB C 7.311 6.598 10.869 1.00 . A A . 44 CYS CB 1 1 6 3476 1 1 44 CYS H H 5.178 5.024 12.036 1.00 . A A . 44 CYS H 1 1 6 3477 1 1 44 CYS HA H 8.108 5.102 12.176 1.00 . A A . 44 CYS HA 1 1 6 3478 1 1 44 CYS HB2 H 6.396 7.164 10.771 1.00 . A A . 44 CYS HB2 1 1 6 3479 1 1 44 CYS HB3 H 8.134 7.279 11.026 1.00 . A A . 44 CYS HB3 1 1 6 3480 1 1 44 CYS N N 6.100 4.724 11.886 1.00 . A A . 44 CYS N 1 1 6 3481 1 1 44 CYS O O 5.917 7.057 13.564 1.00 . A A . 44 CYS O 1 1 6 3482 1 1 44 CYS SG S 7.598 5.734 9.291 1.00 . A A . 44 CYS SG 1 1 6 3483 1 1 45 ALA C C 8.150 8.793 15.180 1.00 . A A . 45 ALA C 1 1 6 3484 1 1 45 ALA CA C 7.952 7.302 15.428 1.00 . A A . 45 ALA CA 1 1 6 3485 1 1 45 ALA CB C 8.991 6.787 16.413 1.00 . A A . 45 ALA CB 1 1 6 3486 1 1 45 ALA H H 8.846 6.075 13.954 1.00 . A A . 45 ALA H 1 1 6 3487 1 1 45 ALA HA H 6.974 7.146 15.860 1.00 . A A . 45 ALA HA 1 1 6 3488 1 1 45 ALA HB1 H 9.245 5.766 16.166 1.00 . A A . 45 ALA HB1 1 1 6 3489 1 1 45 ALA HB2 H 9.876 7.402 16.357 1.00 . A A . 45 ALA HB2 1 1 6 3490 1 1 45 ALA HB3 H 8.588 6.825 17.414 1.00 . A A . 45 ALA HB3 1 1 6 3491 1 1 45 ALA N N 8.019 6.548 14.182 1.00 . A A . 45 ALA N 1 1 6 3492 1 1 45 ALA O O 8.018 9.608 16.094 1.00 . A A . 45 ALA O 1 1 7 3493 1 1 1 CYS C C 2.729 -1.334 -1.560 1.00 . A A . 1 CYS C 1 1 7 3494 1 1 1 CYS CA C 2.105 0.040 -1.332 1.00 . A A . 1 CYS CA 1 1 7 3495 1 1 1 CYS CB C 3.203 1.102 -1.235 1.00 . A A . 1 CYS CB 1 1 7 3496 1 1 1 CYS HA H 1.464 0.274 -2.169 1.00 . A A . 1 CYS HA 1 1 7 3497 1 1 1 CYS HB2 H 3.979 0.871 -1.950 1.00 . A A . 1 CYS HB2 1 1 7 3498 1 1 1 CYS HB3 H 2.781 2.068 -1.469 1.00 . A A . 1 CYS HB3 1 1 7 3499 1 1 1 CYS N N 1.287 0.047 -0.126 1.00 . A A . 1 CYS N 1 1 7 3500 1 1 1 CYS O O 2.872 -2.124 -0.626 1.00 . A A . 1 CYS O 1 1 7 3501 1 1 1 CYS SG S 3.981 1.218 0.408 1.00 . A A . 1 CYS SG 1 1 7 3502 1 1 2 TYR C C 5.209 -2.866 -2.904 1.00 . A A . 2 TYR C 1 1 7 3503 1 1 2 TYR CA C 3.704 -2.889 -3.156 1.00 . A A . 2 TYR CA 1 1 7 3504 1 1 2 TYR CB C 3.427 -3.224 -4.622 1.00 . A A . 2 TYR CB 1 1 7 3505 1 1 2 TYR CD1 C 1.613 -4.881 -4.037 1.00 . A A . 2 TYR CD1 1 1 7 3506 1 1 2 TYR CD2 C 3.135 -5.448 -5.783 1.00 . A A . 2 TYR CD2 1 1 7 3507 1 1 2 TYR CE1 C 0.957 -6.084 -4.212 1.00 . A A . 2 TYR CE1 1 1 7 3508 1 1 2 TYR CE2 C 2.483 -6.652 -5.965 1.00 . A A . 2 TYR CE2 1 1 7 3509 1 1 2 TYR CG C 2.712 -4.542 -4.818 1.00 . A A . 2 TYR CG 1 1 7 3510 1 1 2 TYR CZ C 1.395 -6.966 -5.177 1.00 . A A . 2 TYR CZ 1 1 7 3511 1 1 2 TYR H H 2.958 -0.940 -3.506 1.00 . A A . 2 TYR H 1 1 7 3512 1 1 2 TYR HA H 3.258 -3.650 -2.533 1.00 . A A . 2 TYR HA 1 1 7 3513 1 1 2 TYR HB2 H 2.814 -2.447 -5.052 1.00 . A A . 2 TYR HB2 1 1 7 3514 1 1 2 TYR HB3 H 4.365 -3.273 -5.157 1.00 . A A . 2 TYR HB3 1 1 7 3515 1 1 2 TYR HD1 H 1.272 -4.188 -3.282 1.00 . A A . 2 TYR HD1 1 1 7 3516 1 1 2 TYR HD2 H 3.988 -5.199 -6.398 1.00 . A A . 2 TYR HD2 1 1 7 3517 1 1 2 TYR HE1 H 0.105 -6.330 -3.596 1.00 . A A . 2 TYR HE1 1 1 7 3518 1 1 2 TYR HE2 H 2.827 -7.344 -6.721 1.00 . A A . 2 TYR HE2 1 1 7 3519 1 1 2 TYR HH H 0.008 -8.224 -4.742 1.00 . A A . 2 TYR HH 1 1 7 3520 1 1 2 TYR N N 3.098 -1.611 -2.805 1.00 . A A . 2 TYR N 1 1 7 3521 1 1 2 TYR O O 5.848 -1.814 -2.904 1.00 . A A . 2 TYR O 1 1 7 3522 1 1 2 TYR OH O 0.745 -8.165 -5.355 1.00 . A A . 2 TYR OH 1 1 7 3523 1 1 3 PRO C C 8.068 -3.908 -3.663 1.00 . A A . 3 PRO C 1 1 7 3524 1 1 3 PRO CA C 7.225 -4.200 -2.426 1.00 . A A . 3 PRO CA 1 1 7 3525 1 1 3 PRO CB C 7.366 -5.668 -2.016 1.00 . A A . 3 PRO CB 1 1 7 3526 1 1 3 PRO CD C 5.088 -5.350 -2.667 1.00 . A A . 3 PRO CD 1 1 7 3527 1 1 3 PRO CG C 6.208 -6.353 -2.657 1.00 . A A . 3 PRO CG 1 1 7 3528 1 1 3 PRO HA H 7.549 -3.565 -1.613 1.00 . A A . 3 PRO HA 1 1 7 3529 1 1 3 PRO HB2 H 8.307 -6.057 -2.380 1.00 . A A . 3 PRO HB2 1 1 7 3530 1 1 3 PRO HB3 H 7.327 -5.751 -0.940 1.00 . A A . 3 PRO HB3 1 1 7 3531 1 1 3 PRO HD2 H 4.482 -5.471 -3.553 1.00 . A A . 3 PRO HD2 1 1 7 3532 1 1 3 PRO HD3 H 4.484 -5.450 -1.777 1.00 . A A . 3 PRO HD3 1 1 7 3533 1 1 3 PRO HG2 H 6.464 -6.640 -3.666 1.00 . A A . 3 PRO HG2 1 1 7 3534 1 1 3 PRO HG3 H 5.929 -7.220 -2.078 1.00 . A A . 3 PRO HG3 1 1 7 3535 1 1 3 PRO N N 5.789 -4.055 -2.683 1.00 . A A . 3 PRO N 1 1 7 3536 1 1 3 PRO O O 8.500 -4.824 -4.361 1.00 . A A . 3 PRO O 1 1 7 3537 1 1 4 GLY C C 8.411 -1.167 -5.914 1.00 . A A . 4 GLY C 1 1 7 3538 1 1 4 GLY CA C 9.089 -2.237 -5.081 1.00 . A A . 4 GLY CA 1 1 7 3539 1 1 4 GLY H H 7.928 -1.938 -3.336 1.00 . A A . 4 GLY H 1 1 7 3540 1 1 4 GLY HA2 H 10.043 -1.864 -4.740 1.00 . A A . 4 GLY HA2 1 1 7 3541 1 1 4 GLY HA3 H 9.254 -3.108 -5.699 1.00 . A A . 4 GLY HA3 1 1 7 3542 1 1 4 GLY N N 8.298 -2.626 -3.928 1.00 . A A . 4 GLY N 1 1 7 3543 1 1 4 GLY O O 8.822 -0.900 -7.043 1.00 . A A . 4 GLY O 1 1 7 3544 1 1 5 GLN C C 7.420 1.796 -6.068 1.00 . A A . 5 GLN C 1 1 7 3545 1 1 5 GLN CA C 6.634 0.489 -6.059 1.00 . A A . 5 GLN CA 1 1 7 3546 1 1 5 GLN CB C 5.268 0.705 -5.405 1.00 . A A . 5 GLN CB 1 1 7 3547 1 1 5 GLN CD C 2.891 -0.126 -5.602 1.00 . A A . 5 GLN CD 1 1 7 3548 1 1 5 GLN CG C 4.354 -0.506 -5.490 1.00 . A A . 5 GLN CG 1 1 7 3549 1 1 5 GLN H H 7.092 -0.814 -4.455 1.00 . A A . 5 GLN H 1 1 7 3550 1 1 5 GLN HA H 6.488 0.164 -7.078 1.00 . A A . 5 GLN HA 1 1 7 3551 1 1 5 GLN HB2 H 5.415 0.947 -4.363 1.00 . A A . 5 GLN HB2 1 1 7 3552 1 1 5 GLN HB3 H 4.777 1.535 -5.893 1.00 . A A . 5 GLN HB3 1 1 7 3553 1 1 5 GLN HE21 H 2.815 -0.863 -7.447 1.00 . A A . 5 GLN HE21 1 1 7 3554 1 1 5 GLN HE22 H 1.343 -0.188 -6.847 1.00 . A A . 5 GLN HE22 1 1 7 3555 1 1 5 GLN HG2 H 4.627 -1.086 -6.360 1.00 . A A . 5 GLN HG2 1 1 7 3556 1 1 5 GLN HG3 H 4.489 -1.105 -4.602 1.00 . A A . 5 GLN HG3 1 1 7 3557 1 1 5 GLN N N 7.371 -0.556 -5.357 1.00 . A A . 5 GLN N 1 1 7 3558 1 1 5 GLN NE2 N 2.288 -0.421 -6.748 1.00 . A A . 5 GLN NE2 1 1 7 3559 1 1 5 GLN O O 8.273 2.042 -5.215 1.00 . A A . 5 GLN O 1 1 7 3560 1 1 5 GLN OE1 O 2.308 0.426 -4.669 1.00 . A A . 5 GLN OE1 1 1 7 3561 1 1 6 PRO C C 7.404 4.932 -6.097 1.00 . A A . 6 PRO C 1 1 7 3562 1 1 6 PRO CA C 7.795 3.953 -7.198 1.00 . A A . 6 PRO CA 1 1 7 3563 1 1 6 PRO CB C 7.305 4.456 -8.559 1.00 . A A . 6 PRO CB 1 1 7 3564 1 1 6 PRO CD C 6.121 2.429 -8.105 1.00 . A A . 6 PRO CD 1 1 7 3565 1 1 6 PRO CG C 5.996 3.774 -8.765 1.00 . A A . 6 PRO CG 1 1 7 3566 1 1 6 PRO HA H 8.869 3.846 -7.218 1.00 . A A . 6 PRO HA 1 1 7 3567 1 1 6 PRO HB2 H 7.191 5.530 -8.529 1.00 . A A . 6 PRO HB2 1 1 7 3568 1 1 6 PRO HB3 H 8.015 4.184 -9.324 1.00 . A A . 6 PRO HB3 1 1 7 3569 1 1 6 PRO HD2 H 5.176 2.130 -7.676 1.00 . A A . 6 PRO HD2 1 1 7 3570 1 1 6 PRO HD3 H 6.465 1.691 -8.815 1.00 . A A . 6 PRO HD3 1 1 7 3571 1 1 6 PRO HG2 H 5.207 4.347 -8.302 1.00 . A A . 6 PRO HG2 1 1 7 3572 1 1 6 PRO HG3 H 5.806 3.657 -9.821 1.00 . A A . 6 PRO HG3 1 1 7 3573 1 1 6 PRO N N 7.127 2.656 -7.055 1.00 . A A . 6 PRO N 1 1 7 3574 1 1 6 PRO O O 6.434 5.677 -6.230 1.00 . A A . 6 PRO O 1 1 7 3575 1 1 7 GLY C C 7.907 5.105 -2.560 1.00 . A A . 7 GLY C 1 1 7 3576 1 1 7 GLY CA C 7.883 5.817 -3.898 1.00 . A A . 7 GLY CA 1 1 7 3577 1 1 7 GLY H H 8.927 4.310 -4.956 1.00 . A A . 7 GLY H 1 1 7 3578 1 1 7 GLY HA2 H 8.620 6.606 -3.888 1.00 . A A . 7 GLY HA2 1 1 7 3579 1 1 7 GLY HA3 H 6.906 6.254 -4.043 1.00 . A A . 7 GLY HA3 1 1 7 3580 1 1 7 GLY N N 8.166 4.925 -5.007 1.00 . A A . 7 GLY N 1 1 7 3581 1 1 7 GLY O O 8.203 5.712 -1.530 1.00 . A A . 7 GLY O 1 1 7 3582 1 1 8 CYS C C 8.899 2.277 -1.169 1.00 . A A . 8 CYS C 1 1 7 3583 1 1 8 CYS CA C 7.578 3.017 -1.353 1.00 . A A . 8 CYS CA 1 1 7 3584 1 1 8 CYS CB C 6.420 2.017 -1.386 1.00 . A A . 8 CYS CB 1 1 7 3585 1 1 8 CYS H H 7.367 3.385 -3.427 1.00 . A A . 8 CYS H 1 1 7 3586 1 1 8 CYS HA H 7.437 3.689 -0.520 1.00 . A A . 8 CYS HA 1 1 7 3587 1 1 8 CYS HB2 H 5.557 2.493 -1.828 1.00 . A A . 8 CYS HB2 1 1 7 3588 1 1 8 CYS HB3 H 6.705 1.168 -1.990 1.00 . A A . 8 CYS HB3 1 1 7 3589 1 1 8 CYS N N 7.593 3.814 -2.574 1.00 . A A . 8 CYS N 1 1 7 3590 1 1 8 CYS O O 9.740 2.254 -2.067 1.00 . A A . 8 CYS O 1 1 7 3591 1 1 8 CYS SG S 5.929 1.393 0.254 1.00 . A A . 8 CYS SG 1 1 7 3592 1 1 9 GLY C C 10.339 0.407 1.701 1.00 . A A . 9 GLY C 1 1 7 3593 1 1 9 GLY CA C 10.295 0.937 0.282 1.00 . A A . 9 GLY CA 1 1 7 3594 1 1 9 GLY H H 8.369 1.723 0.680 1.00 . A A . 9 GLY H 1 1 7 3595 1 1 9 GLY HA2 H 10.368 0.107 -0.405 1.00 . A A . 9 GLY HA2 1 1 7 3596 1 1 9 GLY HA3 H 11.139 1.594 0.128 1.00 . A A . 9 GLY HA3 1 1 7 3597 1 1 9 GLY N N 9.074 1.671 0.001 1.00 . A A . 9 GLY N 1 1 7 3598 1 1 9 GLY O O 9.399 0.598 2.473 1.00 . A A . 9 GLY O 1 1 7 3599 1 1 10 HIS C C 11.733 0.283 4.424 1.00 . A A . 10 HIS C 1 1 7 3600 1 1 10 HIS CA C 11.597 -0.824 3.383 1.00 . A A . 10 HIS CA 1 1 7 3601 1 1 10 HIS CB C 12.823 -1.737 3.430 1.00 . A A . 10 HIS CB 1 1 7 3602 1 1 10 HIS CD2 C 14.620 0.070 2.945 1.00 . A A . 10 HIS CD2 1 1 7 3603 1 1 10 HIS CE1 C 16.081 -0.513 4.472 1.00 . A A . 10 HIS CE1 1 1 7 3604 1 1 10 HIS CG C 14.114 -0.998 3.606 1.00 . A A . 10 HIS CG 1 1 7 3605 1 1 10 HIS H H 12.149 -0.382 1.388 1.00 . A A . 10 HIS H 1 1 7 3606 1 1 10 HIS HA H 10.717 -1.406 3.608 1.00 . A A . 10 HIS HA 1 1 7 3607 1 1 10 HIS HB2 H 12.720 -2.425 4.256 1.00 . A A . 10 HIS HB2 1 1 7 3608 1 1 10 HIS HB3 H 12.883 -2.296 2.507 1.00 . A A . 10 HIS HB3 1 1 7 3609 1 1 10 HIS HD1 H 14.978 -2.077 5.195 1.00 . A A . 10 HIS HD1 1 1 7 3610 1 1 10 HIS HD2 H 14.149 0.603 2.131 1.00 . A A . 10 HIS HD2 1 1 7 3611 1 1 10 HIS HE1 H 16.965 -0.540 5.091 1.00 . A A . 10 HIS HE1 1 1 7 3612 1 1 10 HIS N N 11.434 -0.263 2.047 1.00 . A A . 10 HIS N 1 1 7 3613 1 1 10 HIS ND1 N 15.053 -1.340 4.555 1.00 . A A . 10 HIS ND1 1 1 7 3614 1 1 10 HIS NE2 N 15.843 0.351 3.503 1.00 . A A . 10 HIS NE2 1 1 7 3615 1 1 10 HIS O O 12.632 1.120 4.343 1.00 . A A . 10 HIS O 1 1 7 3616 1 1 11 CYS C C 12.120 1.171 7.297 1.00 . A A . 11 CYS C 1 1 7 3617 1 1 11 CYS CA C 10.850 1.286 6.459 1.00 . A A . 11 CYS CA 1 1 7 3618 1 1 11 CYS CB C 9.620 1.135 7.355 1.00 . A A . 11 CYS CB 1 1 7 3619 1 1 11 CYS H H 10.139 -0.412 5.414 1.00 . A A . 11 CYS H 1 1 7 3620 1 1 11 CYS HA H 10.828 2.259 5.993 1.00 . A A . 11 CYS HA 1 1 7 3621 1 1 11 CYS HB2 H 9.657 1.882 8.134 1.00 . A A . 11 CYS HB2 1 1 7 3622 1 1 11 CYS HB3 H 8.731 1.287 6.761 1.00 . A A . 11 CYS HB3 1 1 7 3623 1 1 11 CYS N N 10.833 0.282 5.402 1.00 . A A . 11 CYS N 1 1 7 3624 1 1 11 CYS O O 12.819 0.159 7.249 1.00 . A A . 11 CYS O 1 1 7 3625 1 1 11 CYS SG S 9.480 -0.494 8.158 1.00 . A A . 11 CYS SG 1 1 7 3626 1 1 12 SER C C 13.387 3.135 10.125 1.00 . A A . 12 SER C 1 1 7 3627 1 1 12 SER CA C 13.599 2.235 8.912 1.00 . A A . 12 SER CA 1 1 7 3628 1 1 12 SER CB C 14.813 2.714 8.113 1.00 . A A . 12 SER CB 1 1 7 3629 1 1 12 SER H H 11.816 2.994 8.060 1.00 . A A . 12 SER H 1 1 7 3630 1 1 12 SER HA H 13.779 1.227 9.254 1.00 . A A . 12 SER HA 1 1 7 3631 1 1 12 SER HB2 H 15.696 2.647 8.731 1.00 . A A . 12 SER HB2 1 1 7 3632 1 1 12 SER HB3 H 14.936 2.088 7.241 1.00 . A A . 12 SER HB3 1 1 7 3633 1 1 12 SER HG H 15.066 4.644 8.329 1.00 . A A . 12 SER HG 1 1 7 3634 1 1 12 SER N N 12.412 2.216 8.065 1.00 . A A . 12 SER N 1 1 7 3635 1 1 12 SER O O 12.679 4.140 10.050 1.00 . A A . 12 SER O 1 1 7 3636 1 1 12 SER OG O 14.650 4.057 7.693 1.00 . A A . 12 SER OG 1 1 7 3637 1 1 13 ARG C C 13.911 5.038 12.179 1.00 . A A . 13 ARG C 1 1 7 3638 1 1 13 ARG CA C 13.885 3.541 12.473 1.00 . A A . 13 ARG CA 1 1 7 3639 1 1 13 ARG CB C 15.015 3.180 13.440 1.00 . A A . 13 ARG CB 1 1 7 3640 1 1 13 ARG CD C 13.714 1.757 15.052 1.00 . A A . 13 ARG CD 1 1 7 3641 1 1 13 ARG CG C 14.867 1.801 14.061 1.00 . A A . 13 ARG CG 1 1 7 3642 1 1 13 ARG CZ C 14.031 -0.368 16.248 1.00 . A A . 13 ARG CZ 1 1 7 3643 1 1 13 ARG H H 14.557 1.957 11.239 1.00 . A A . 13 ARG H 1 1 7 3644 1 1 13 ARG HA H 12.939 3.291 12.929 1.00 . A A . 13 ARG HA 1 1 7 3645 1 1 13 ARG HB2 H 15.953 3.212 12.906 1.00 . A A . 13 ARG HB2 1 1 7 3646 1 1 13 ARG HB3 H 15.037 3.910 14.235 1.00 . A A . 13 ARG HB3 1 1 7 3647 1 1 13 ARG HD2 H 13.484 2.765 15.361 1.00 . A A . 13 ARG HD2 1 1 7 3648 1 1 13 ARG HD3 H 12.854 1.326 14.562 1.00 . A A . 13 ARG HD3 1 1 7 3649 1 1 13 ARG HE H 14.270 1.441 17.054 1.00 . A A . 13 ARG HE 1 1 7 3650 1 1 13 ARG HG2 H 14.682 1.081 13.278 1.00 . A A . 13 ARG HG2 1 1 7 3651 1 1 13 ARG HG3 H 15.783 1.549 14.576 1.00 . A A . 13 ARG HG3 1 1 7 3652 1 1 13 ARG HH11 H 13.490 -0.555 14.310 1.00 . A A . 13 ARG HH11 1 1 7 3653 1 1 13 ARG HH12 H 13.717 -2.045 15.165 1.00 . A A . 13 ARG HH12 1 1 7 3654 1 1 13 ARG HH21 H 14.572 -0.514 18.190 1.00 . A A . 13 ARG HH21 1 1 7 3655 1 1 13 ARG HH22 H 14.331 -2.020 17.372 1.00 . A A . 13 ARG HH22 1 1 7 3656 1 1 13 ARG N N 14.006 2.768 11.242 1.00 . A A . 13 ARG N 1 1 7 3657 1 1 13 ARG NE N 14.037 0.961 16.233 1.00 . A A . 13 ARG NE 1 1 7 3658 1 1 13 ARG NH1 N 13.720 -1.045 15.151 1.00 . A A . 13 ARG NH1 1 1 7 3659 1 1 13 ARG NH2 N 14.337 -1.021 17.361 1.00 . A A . 13 ARG NH2 1 1 7 3660 1 1 13 ARG O O 14.593 5.505 11.267 1.00 . A A . 13 ARG O 1 1 7 3661 1 1 14 PRO C C 11.149 4.452 13.543 1.00 . A A . 14 PRO C 1 1 7 3662 1 1 14 PRO CA C 12.333 5.264 14.058 1.00 . A A . 14 PRO CA 1 1 7 3663 1 1 14 PRO CB C 11.844 6.514 14.794 1.00 . A A . 14 PRO CB 1 1 7 3664 1 1 14 PRO CD C 13.027 7.273 12.860 1.00 . A A . 14 PRO CD 1 1 7 3665 1 1 14 PRO CG C 11.872 7.594 13.769 1.00 . A A . 14 PRO CG 1 1 7 3666 1 1 14 PRO HA H 12.921 4.655 14.728 1.00 . A A . 14 PRO HA 1 1 7 3667 1 1 14 PRO HB2 H 10.843 6.347 15.167 1.00 . A A . 14 PRO HB2 1 1 7 3668 1 1 14 PRO HB3 H 12.508 6.734 15.617 1.00 . A A . 14 PRO HB3 1 1 7 3669 1 1 14 PRO HD2 H 12.802 7.566 11.846 1.00 . A A . 14 PRO HD2 1 1 7 3670 1 1 14 PRO HD3 H 13.926 7.761 13.206 1.00 . A A . 14 PRO HD3 1 1 7 3671 1 1 14 PRO HG2 H 10.947 7.596 13.213 1.00 . A A . 14 PRO HG2 1 1 7 3672 1 1 14 PRO HG3 H 12.027 8.550 14.247 1.00 . A A . 14 PRO HG3 1 1 7 3673 1 1 14 PRO N N 13.149 5.809 12.969 1.00 . A A . 14 PRO N 1 1 7 3674 1 1 14 PRO O O 10.228 4.135 14.295 1.00 . A A . 14 PRO O 1 1 7 3675 1 1 15 ASN C C 10.320 1.849 11.867 1.00 . A A . 15 ASN C 1 1 7 3676 1 1 15 ASN CA C 10.108 3.343 11.643 1.00 . A A . 15 ASN CA 1 1 7 3677 1 1 15 ASN CB C 10.031 3.640 10.143 1.00 . A A . 15 ASN CB 1 1 7 3678 1 1 15 ASN CG C 10.339 5.090 9.824 1.00 . A A . 15 ASN CG 1 1 7 3679 1 1 15 ASN H H 11.941 4.401 11.708 1.00 . A A . 15 ASN H 1 1 7 3680 1 1 15 ASN HA H 9.179 3.637 12.107 1.00 . A A . 15 ASN HA 1 1 7 3681 1 1 15 ASN HB2 H 10.744 3.017 9.623 1.00 . A A . 15 ASN HB2 1 1 7 3682 1 1 15 ASN HB3 H 9.037 3.415 9.788 1.00 . A A . 15 ASN HB3 1 1 7 3683 1 1 15 ASN HD21 H 10.988 4.579 8.015 1.00 . A A . 15 ASN HD21 1 1 7 3684 1 1 15 ASN HD22 H 11.054 6.264 8.388 1.00 . A A . 15 ASN HD22 1 1 7 3685 1 1 15 ASN N N 11.180 4.119 12.257 1.00 . A A . 15 ASN N 1 1 7 3686 1 1 15 ASN ND2 N 10.845 5.336 8.621 1.00 . A A . 15 ASN ND2 1 1 7 3687 1 1 15 ASN O O 11.454 1.368 11.884 1.00 . A A . 15 ASN O 1 1 7 3688 1 1 15 ASN OD1 O 10.125 5.978 10.649 1.00 . A A . 15 ASN OD1 1 1 7 3689 1 1 16 TYR C C 8.130 -1.031 11.572 1.00 . A A . 16 TYR C 1 1 7 3690 1 1 16 TYR CA C 9.288 -0.318 12.263 1.00 . A A . 16 TYR CA 1 1 7 3691 1 1 16 TYR CB C 9.268 -0.623 13.762 1.00 . A A . 16 TYR CB 1 1 7 3692 1 1 16 TYR CD1 C 7.504 0.928 14.689 1.00 . A A . 16 TYR CD1 1 1 7 3693 1 1 16 TYR CD2 C 7.087 -1.418 14.756 1.00 . A A . 16 TYR CD2 1 1 7 3694 1 1 16 TYR CE1 C 6.281 1.167 15.285 1.00 . A A . 16 TYR CE1 1 1 7 3695 1 1 16 TYR CE2 C 5.861 -1.188 15.350 1.00 . A A . 16 TYR CE2 1 1 7 3696 1 1 16 TYR CG C 7.928 -0.366 14.414 1.00 . A A . 16 TYR CG 1 1 7 3697 1 1 16 TYR CZ C 5.463 0.106 15.613 1.00 . A A . 16 TYR CZ 1 1 7 3698 1 1 16 TYR H H 8.348 1.561 12.014 1.00 . A A . 16 TYR H 1 1 7 3699 1 1 16 TYR HA H 10.218 -0.677 11.846 1.00 . A A . 16 TYR HA 1 1 7 3700 1 1 16 TYR HB2 H 9.517 -1.661 13.915 1.00 . A A . 16 TYR HB2 1 1 7 3701 1 1 16 TYR HB3 H 10.002 -0.005 14.258 1.00 . A A . 16 TYR HB3 1 1 7 3702 1 1 16 TYR HD1 H 8.146 1.757 14.430 1.00 . A A . 16 TYR HD1 1 1 7 3703 1 1 16 TYR HD2 H 7.402 -2.430 14.549 1.00 . A A . 16 TYR HD2 1 1 7 3704 1 1 16 TYR HE1 H 5.968 2.181 15.491 1.00 . A A . 16 TYR HE1 1 1 7 3705 1 1 16 TYR HE2 H 5.221 -2.018 15.608 1.00 . A A . 16 TYR HE2 1 1 7 3706 1 1 16 TYR HH H 4.000 -0.417 16.746 1.00 . A A . 16 TYR HH 1 1 7 3707 1 1 16 TYR N N 9.223 1.121 12.038 1.00 . A A . 16 TYR N 1 1 7 3708 1 1 16 TYR O O 7.347 -0.413 10.850 1.00 . A A . 16 TYR O 1 1 7 3709 1 1 16 TYR OH O 4.244 0.340 16.207 1.00 . A A . 16 TYR OH 1 1 7 3710 1 1 17 CYS C C 5.744 -3.192 12.116 1.00 . A A . 17 CYS C 1 1 7 3711 1 1 17 CYS CA C 6.964 -3.135 11.201 1.00 . A A . 17 CYS CA 1 1 7 3712 1 1 17 CYS CB C 7.465 -4.552 10.912 1.00 . A A . 17 CYS CB 1 1 7 3713 1 1 17 CYS H H 8.681 -2.773 12.386 1.00 . A A . 17 CYS H 1 1 7 3714 1 1 17 CYS HA H 6.680 -2.667 10.271 1.00 . A A . 17 CYS HA 1 1 7 3715 1 1 17 CYS HB2 H 8.291 -4.775 11.572 1.00 . A A . 17 CYS HB2 1 1 7 3716 1 1 17 CYS HB3 H 6.665 -5.253 11.097 1.00 . A A . 17 CYS HB3 1 1 7 3717 1 1 17 CYS N N 8.026 -2.336 11.800 1.00 . A A . 17 CYS N 1 1 7 3718 1 1 17 CYS O O 5.873 -3.367 13.327 1.00 . A A . 17 CYS O 1 1 7 3719 1 1 17 CYS SG S 8.040 -4.803 9.202 1.00 . A A . 17 CYS SG 1 1 7 3720 1 1 18 GLU C C 2.191 -3.686 11.462 1.00 . A A . 18 GLU C 1 1 7 3721 1 1 18 GLU CA C 3.320 -3.077 12.289 1.00 . A A . 18 GLU CA 1 1 7 3722 1 1 18 GLU CB C 2.933 -1.666 12.740 1.00 . A A . 18 GLU CB 1 1 7 3723 1 1 18 GLU CD C 2.089 -2.853 14.804 1.00 . A A . 18 GLU CD 1 1 7 3724 1 1 18 GLU CG C 1.949 -1.646 13.897 1.00 . A A . 18 GLU CG 1 1 7 3725 1 1 18 GLU H H 4.525 -2.907 10.557 1.00 . A A . 18 GLU H 1 1 7 3726 1 1 18 GLU HA H 3.482 -3.691 13.161 1.00 . A A . 18 GLU HA 1 1 7 3727 1 1 18 GLU HB2 H 3.827 -1.141 13.043 1.00 . A A . 18 GLU HB2 1 1 7 3728 1 1 18 GLU HB3 H 2.486 -1.145 11.906 1.00 . A A . 18 GLU HB3 1 1 7 3729 1 1 18 GLU HG2 H 2.120 -0.754 14.482 1.00 . A A . 18 GLU HG2 1 1 7 3730 1 1 18 GLU HG3 H 0.945 -1.627 13.499 1.00 . A A . 18 GLU HG3 1 1 7 3731 1 1 18 GLU N N 4.562 -3.043 11.527 1.00 . A A . 18 GLU N 1 1 7 3732 1 1 18 GLU O O 1.776 -3.124 10.449 1.00 . A A . 18 GLU O 1 1 7 3733 1 1 18 GLU OE1 O 2.783 -2.742 15.836 1.00 . A A . 18 GLU OE1 1 1 7 3734 1 1 18 GLU OE2 O 1.505 -3.909 14.481 1.00 . A A . 18 GLU OE2 1 1 7 3735 1 1 19 GLY C C -0.727 -5.287 11.846 1.00 . A A . 19 GLY C 1 1 7 3736 1 1 19 GLY CA C 0.623 -5.506 11.193 1.00 . A A . 19 GLY CA 1 1 7 3737 1 1 19 GLY H H 2.068 -5.241 12.717 1.00 . A A . 19 GLY H 1 1 7 3738 1 1 19 GLY HA2 H 0.587 -5.131 10.181 1.00 . A A . 19 GLY HA2 1 1 7 3739 1 1 19 GLY HA3 H 0.828 -6.567 11.165 1.00 . A A . 19 GLY HA3 1 1 7 3740 1 1 19 GLY N N 1.698 -4.840 11.903 1.00 . A A . 19 GLY N 1 1 7 3741 1 1 19 GLY O O -1.727 -5.875 11.435 1.00 . A A . 19 GLY O 1 1 7 3742 1 1 20 ALA C C -2.223 -2.638 13.682 1.00 . A A . 20 ALA C 1 1 7 3743 1 1 20 ALA CA C -1.994 -4.143 13.580 1.00 . A A . 20 ALA CA 1 1 7 3744 1 1 20 ALA CB C -1.969 -4.770 14.966 1.00 . A A . 20 ALA CB 1 1 7 3745 1 1 20 ALA H H 0.073 -4.000 13.150 1.00 . A A . 20 ALA H 1 1 7 3746 1 1 20 ALA HA H -2.811 -4.584 13.027 1.00 . A A . 20 ALA HA 1 1 7 3747 1 1 20 ALA HB1 H -2.059 -3.994 15.713 1.00 . A A . 20 ALA HB1 1 1 7 3748 1 1 20 ALA HB2 H -2.793 -5.461 15.063 1.00 . A A . 20 ALA HB2 1 1 7 3749 1 1 20 ALA HB3 H -1.037 -5.297 15.105 1.00 . A A . 20 ALA HB3 1 1 7 3750 1 1 20 ALA N N -0.757 -4.438 12.869 1.00 . A A . 20 ALA N 1 1 7 3751 1 1 20 ALA O O -3.093 -2.086 13.009 1.00 . A A . 20 ALA O 1 1 7 3752 1 1 21 ARG C C -0.296 0.027 15.369 1.00 . A A . 21 ARG C 1 1 7 3753 1 1 21 ARG CA C -1.555 -0.541 14.720 1.00 . A A . 21 ARG CA 1 1 7 3754 1 1 21 ARG CB C -2.776 -0.218 15.583 1.00 . A A . 21 ARG CB 1 1 7 3755 1 1 21 ARG CD C -5.159 0.569 15.449 1.00 . A A . 21 ARG CD 1 1 7 3756 1 1 21 ARG CG C -3.742 0.758 14.931 1.00 . A A . 21 ARG CG 1 1 7 3757 1 1 21 ARG CZ C -7.312 -0.301 14.643 1.00 . A A . 21 ARG CZ 1 1 7 3758 1 1 21 ARG H H -0.762 -2.477 15.038 1.00 . A A . 21 ARG H 1 1 7 3759 1 1 21 ARG HA H -1.682 -0.086 13.749 1.00 . A A . 21 ARG HA 1 1 7 3760 1 1 21 ARG HB2 H -3.310 -1.134 15.789 1.00 . A A . 21 ARG HB2 1 1 7 3761 1 1 21 ARG HB3 H -2.440 0.210 16.515 1.00 . A A . 21 ARG HB3 1 1 7 3762 1 1 21 ARG HD2 H -5.120 0.001 16.366 1.00 . A A . 21 ARG HD2 1 1 7 3763 1 1 21 ARG HD3 H -5.588 1.541 15.646 1.00 . A A . 21 ARG HD3 1 1 7 3764 1 1 21 ARG HE H -5.572 -0.506 13.691 1.00 . A A . 21 ARG HE 1 1 7 3765 1 1 21 ARG HG2 H -3.422 1.766 15.149 1.00 . A A . 21 ARG HG2 1 1 7 3766 1 1 21 ARG HG3 H -3.734 0.599 13.863 1.00 . A A . 21 ARG HG3 1 1 7 3767 1 1 21 ARG HH11 H -7.399 0.682 16.406 1.00 . A A . 21 ARG HH11 1 1 7 3768 1 1 21 ARG HH12 H -8.910 0.064 15.827 1.00 . A A . 21 ARG HH12 1 1 7 3769 1 1 21 ARG HH21 H -7.555 -1.325 12.918 1.00 . A A . 21 ARG HH21 1 1 7 3770 1 1 21 ARG HH22 H -8.998 -1.079 13.843 1.00 . A A . 21 ARG HH22 1 1 7 3771 1 1 21 ARG N N -1.437 -1.981 14.529 1.00 . A A . 21 ARG N 1 1 7 3772 1 1 21 ARG NE N -6.003 -0.137 14.489 1.00 . A A . 21 ARG NE 1 1 7 3773 1 1 21 ARG NH1 N -7.924 0.188 15.713 1.00 . A A . 21 ARG NH1 1 1 7 3774 1 1 21 ARG NH2 N -8.013 -0.955 13.726 1.00 . A A . 21 ARG NH2 1 1 7 3775 1 1 21 ARG O O 0.342 -0.631 16.192 1.00 . A A . 21 ARG O 1 1 7 3776 1 1 22 CYS C C 1.164 1.992 17.057 1.00 . A A . 22 CYS C 1 1 7 3777 1 1 22 CYS CA C 1.239 1.908 15.536 1.00 . A A . 22 CYS CA 1 1 7 3778 1 1 22 CYS CB C 1.387 3.311 14.943 1.00 . A A . 22 CYS CB 1 1 7 3779 1 1 22 CYS H H -0.492 1.725 14.331 1.00 . A A . 22 CYS H 1 1 7 3780 1 1 22 CYS HA H 2.101 1.319 15.262 1.00 . A A . 22 CYS HA 1 1 7 3781 1 1 22 CYS HB2 H 0.551 3.917 15.260 1.00 . A A . 22 CYS HB2 1 1 7 3782 1 1 22 CYS HB3 H 2.303 3.752 15.307 1.00 . A A . 22 CYS HB3 1 1 7 3783 1 1 22 CYS N N 0.057 1.251 14.992 1.00 . A A . 22 CYS N 1 1 7 3784 1 1 22 CYS O O 0.090 2.186 17.625 1.00 . A A . 22 CYS O 1 1 7 3785 1 1 22 CYS SG S 1.438 3.347 13.122 1.00 . A A . 22 CYS SG 1 1 7 3786 1 1 23 GLU C C 2.136 3.327 19.664 1.00 . A A . 23 GLU C 1 1 7 3787 1 1 23 GLU CA C 2.376 1.905 19.166 1.00 . A A . 23 GLU CA 1 1 7 3788 1 1 23 GLU CB C 3.734 1.402 19.661 1.00 . A A . 23 GLU CB 1 1 7 3789 1 1 23 GLU CD C 3.957 -0.811 20.859 1.00 . A A . 23 GLU CD 1 1 7 3790 1 1 23 GLU CG C 3.914 -0.100 19.520 1.00 . A A . 23 GLU CG 1 1 7 3791 1 1 23 GLU H H 3.136 1.694 17.202 1.00 . A A . 23 GLU H 1 1 7 3792 1 1 23 GLU HA H 1.601 1.264 19.558 1.00 . A A . 23 GLU HA 1 1 7 3793 1 1 23 GLU HB2 H 4.513 1.892 19.096 1.00 . A A . 23 GLU HB2 1 1 7 3794 1 1 23 GLU HB3 H 3.841 1.660 20.704 1.00 . A A . 23 GLU HB3 1 1 7 3795 1 1 23 GLU HG2 H 3.090 -0.497 18.946 1.00 . A A . 23 GLU HG2 1 1 7 3796 1 1 23 GLU HG3 H 4.840 -0.291 18.998 1.00 . A A . 23 GLU HG3 1 1 7 3797 1 1 23 GLU N N 2.312 1.846 17.710 1.00 . A A . 23 GLU N 1 1 7 3798 1 1 23 GLU O O 2.183 4.283 18.890 1.00 . A A . 23 GLU O 1 1 7 3799 1 1 23 GLU OE1 O 2.985 -1.524 21.183 1.00 . A A . 23 GLU OE1 1 1 7 3800 1 1 23 GLU OE2 O 4.963 -0.654 21.582 1.00 . A A . 23 GLU OE2 1 1 7 3801 1 1 24 SER C C 2.801 5.707 21.324 1.00 . A A . 24 SER C 1 1 7 3802 1 1 24 SER CA C 1.626 4.763 21.562 1.00 . A A . 24 SER CA 1 1 7 3803 1 1 24 SER CB C 1.372 4.615 23.064 1.00 . A A . 24 SER CB 1 1 7 3804 1 1 24 SER H H 1.855 2.658 21.527 1.00 . A A . 24 SER H 1 1 7 3805 1 1 24 SER HA H 0.746 5.178 21.096 1.00 . A A . 24 SER HA 1 1 7 3806 1 1 24 SER HB2 H 2.289 4.327 23.555 1.00 . A A . 24 SER HB2 1 1 7 3807 1 1 24 SER HB3 H 1.031 5.560 23.463 1.00 . A A . 24 SER HB3 1 1 7 3808 1 1 24 SER HG H -0.427 3.865 22.870 1.00 . A A . 24 SER HG 1 1 7 3809 1 1 24 SER N N 1.878 3.458 20.961 1.00 . A A . 24 SER N 1 1 7 3810 1 1 24 SER O O 3.757 5.734 22.098 1.00 . A A . 24 SER O 1 1 7 3811 1 1 24 SER OG O 0.387 3.629 23.320 1.00 . A A . 24 SER OG 1 1 7 3812 1 1 25 GLY C C 4.187 7.354 18.464 1.00 . A A . 25 GLY C 1 1 7 3813 1 1 25 GLY CA C 3.784 7.415 19.924 1.00 . A A . 25 GLY CA 1 1 7 3814 1 1 25 GLY H H 1.935 6.416 19.664 1.00 . A A . 25 GLY H 1 1 7 3815 1 1 25 GLY HA2 H 3.450 8.416 20.153 1.00 . A A . 25 GLY HA2 1 1 7 3816 1 1 25 GLY HA3 H 4.646 7.187 20.533 1.00 . A A . 25 GLY HA3 1 1 7 3817 1 1 25 GLY N N 2.722 6.480 20.246 1.00 . A A . 25 GLY N 1 1 7 3818 1 1 25 GLY O O 4.763 8.303 17.931 1.00 . A A . 25 GLY O 1 1 7 3819 1 1 26 PHE C C 3.044 6.425 15.513 1.00 . A A . 26 PHE C 1 1 7 3820 1 1 26 PHE CA C 4.223 6.052 16.408 1.00 . A A . 26 PHE CA 1 1 7 3821 1 1 26 PHE CB C 4.639 4.603 16.145 1.00 . A A . 26 PHE CB 1 1 7 3822 1 1 26 PHE CD1 C 5.929 3.925 18.187 1.00 . A A . 26 PHE CD1 1 1 7 3823 1 1 26 PHE CD2 C 7.103 4.133 16.122 1.00 . A A . 26 PHE CD2 1 1 7 3824 1 1 26 PHE CE1 C 7.103 3.565 18.822 1.00 . A A . 26 PHE CE1 1 1 7 3825 1 1 26 PHE CE2 C 8.280 3.772 16.752 1.00 . A A . 26 PHE CE2 1 1 7 3826 1 1 26 PHE CG C 5.916 4.212 16.832 1.00 . A A . 26 PHE CG 1 1 7 3827 1 1 26 PHE CZ C 8.280 3.489 18.103 1.00 . A A . 26 PHE CZ 1 1 7 3828 1 1 26 PHE H H 3.425 5.514 18.294 1.00 . A A . 26 PHE H 1 1 7 3829 1 1 26 PHE HA H 5.052 6.703 16.180 1.00 . A A . 26 PHE HA 1 1 7 3830 1 1 26 PHE HB2 H 3.859 3.943 16.495 1.00 . A A . 26 PHE HB2 1 1 7 3831 1 1 26 PHE HB3 H 4.775 4.463 15.083 1.00 . A A . 26 PHE HB3 1 1 7 3832 1 1 26 PHE HD1 H 5.009 3.984 18.751 1.00 . A A . 26 PHE HD1 1 1 7 3833 1 1 26 PHE HD2 H 7.105 4.355 15.065 1.00 . A A . 26 PHE HD2 1 1 7 3834 1 1 26 PHE HE1 H 7.099 3.344 19.879 1.00 . A A . 26 PHE HE1 1 1 7 3835 1 1 26 PHE HE2 H 9.199 3.714 16.187 1.00 . A A . 26 PHE HE2 1 1 7 3836 1 1 26 PHE HZ H 9.198 3.207 18.597 1.00 . A A . 26 PHE HZ 1 1 7 3837 1 1 26 PHE N N 3.885 6.235 17.815 1.00 . A A . 26 PHE N 1 1 7 3838 1 1 26 PHE O O 1.905 6.515 15.973 1.00 . A A . 26 PHE O 1 1 7 3839 1 1 27 HIS C C 2.320 6.075 12.063 1.00 . A A . 27 HIS C 1 1 7 3840 1 1 27 HIS CA C 2.290 7.005 13.272 1.00 . A A . 27 HIS CA 1 1 7 3841 1 1 27 HIS CB C 2.470 8.455 12.820 1.00 . A A . 27 HIS CB 1 1 7 3842 1 1 27 HIS CD2 C 4.757 8.642 11.611 1.00 . A A . 27 HIS CD2 1 1 7 3843 1 1 27 HIS CE1 C 5.845 9.758 13.154 1.00 . A A . 27 HIS CE1 1 1 7 3844 1 1 27 HIS CG C 3.903 8.852 12.640 1.00 . A A . 27 HIS CG 1 1 7 3845 1 1 27 HIS H H 4.253 6.555 13.926 1.00 . A A . 27 HIS H 1 1 7 3846 1 1 27 HIS HA H 1.334 6.907 13.763 1.00 . A A . 27 HIS HA 1 1 7 3847 1 1 27 HIS HB2 H 1.966 8.595 11.875 1.00 . A A . 27 HIS HB2 1 1 7 3848 1 1 27 HIS HB3 H 2.033 9.112 13.557 1.00 . A A . 27 HIS HB3 1 1 7 3849 1 1 27 HIS HD1 H 4.269 9.856 14.456 1.00 . A A . 27 HIS HD1 1 1 7 3850 1 1 27 HIS HD2 H 4.537 8.122 10.690 1.00 . A A . 27 HIS HD2 1 1 7 3851 1 1 27 HIS HE1 H 6.626 10.280 13.686 1.00 . A A . 27 HIS HE1 1 1 7 3852 1 1 27 HIS N N 3.326 6.642 14.232 1.00 . A A . 27 HIS N 1 1 7 3853 1 1 27 HIS ND1 N 4.615 9.553 13.591 1.00 . A A . 27 HIS ND1 1 1 7 3854 1 1 27 HIS NE2 N 5.957 9.215 11.955 1.00 . A A . 27 HIS NE2 1 1 7 3855 1 1 27 HIS O O 3.389 5.690 11.590 1.00 . A A . 27 HIS O 1 1 7 3856 1 1 28 ASP C C 1.600 5.497 9.165 1.00 . A A . 28 ASP C 1 1 7 3857 1 1 28 ASP CA C 1.030 4.833 10.415 1.00 . A A . 28 ASP CA 1 1 7 3858 1 1 28 ASP CB C -0.430 4.444 10.180 1.00 . A A . 28 ASP CB 1 1 7 3859 1 1 28 ASP CG C -0.670 3.913 8.781 1.00 . A A . 28 ASP CG 1 1 7 3860 1 1 28 ASP H H 0.322 6.058 11.990 1.00 . A A . 28 ASP H 1 1 7 3861 1 1 28 ASP HA H 1.601 3.941 10.625 1.00 . A A . 28 ASP HA 1 1 7 3862 1 1 28 ASP HB2 H -0.711 3.678 10.889 1.00 . A A . 28 ASP HB2 1 1 7 3863 1 1 28 ASP HB3 H -1.055 5.312 10.328 1.00 . A A . 28 ASP HB3 1 1 7 3864 1 1 28 ASP N N 1.140 5.718 11.569 1.00 . A A . 28 ASP N 1 1 7 3865 1 1 28 ASP O O 1.062 6.491 8.677 1.00 . A A . 28 ASP O 1 1 7 3866 1 1 28 ASP OD1 O 0.306 3.475 8.136 1.00 . A A . 28 ASP OD1 1 1 7 3867 1 1 28 ASP OD2 O -1.834 3.934 8.330 1.00 . A A . 28 ASP OD2 1 1 7 3868 1 1 29 CYS C C 3.410 4.426 6.359 1.00 . A A . 29 CYS C 1 1 7 3869 1 1 29 CYS CA C 3.338 5.479 7.460 1.00 . A A . 29 CYS CA 1 1 7 3870 1 1 29 CYS CB C 4.744 5.979 7.798 1.00 . A A . 29 CYS CB 1 1 7 3871 1 1 29 CYS H H 3.076 4.149 9.086 1.00 . A A . 29 CYS H 1 1 7 3872 1 1 29 CYS HA H 2.745 6.310 7.109 1.00 . A A . 29 CYS HA 1 1 7 3873 1 1 29 CYS HB2 H 5.268 6.202 6.880 1.00 . A A . 29 CYS HB2 1 1 7 3874 1 1 29 CYS HB3 H 4.666 6.878 8.390 1.00 . A A . 29 CYS HB3 1 1 7 3875 1 1 29 CYS N N 2.693 4.941 8.652 1.00 . A A . 29 CYS N 1 1 7 3876 1 1 29 CYS O O 4.268 4.491 5.479 1.00 . A A . 29 CYS O 1 1 7 3877 1 1 29 CYS SG S 5.753 4.784 8.732 1.00 . A A . 29 CYS SG 1 1 7 3878 1 1 30 GLY C C 2.390 2.944 4.004 1.00 . A A . 30 GLY C 1 1 7 3879 1 1 30 GLY CA C 2.481 2.402 5.416 1.00 . A A . 30 GLY CA 1 1 7 3880 1 1 30 GLY H H 1.843 3.455 7.139 1.00 . A A . 30 GLY H 1 1 7 3881 1 1 30 GLY HA2 H 3.383 1.815 5.508 1.00 . A A . 30 GLY HA2 1 1 7 3882 1 1 30 GLY HA3 H 1.629 1.765 5.601 1.00 . A A . 30 GLY HA3 1 1 7 3883 1 1 30 GLY N N 2.503 3.455 6.414 1.00 . A A . 30 GLY N 1 1 7 3884 1 1 30 GLY O O 2.577 2.207 3.036 1.00 . A A . 30 GLY O 1 1 7 3885 1 1 31 SER C C 3.107 4.433 1.651 1.00 . A A . 31 SER C 1 1 7 3886 1 1 31 SER CA C 1.979 4.874 2.579 1.00 . A A . 31 SER CA 1 1 7 3887 1 1 31 SER CB C 1.994 6.397 2.730 1.00 . A A . 31 SER CB 1 1 7 3888 1 1 31 SER H H 1.963 4.771 4.694 1.00 . A A . 31 SER H 1 1 7 3889 1 1 31 SER HA H 1.036 4.573 2.149 1.00 . A A . 31 SER HA 1 1 7 3890 1 1 31 SER HB2 H 3.014 6.736 2.830 1.00 . A A . 31 SER HB2 1 1 7 3891 1 1 31 SER HB3 H 1.550 6.847 1.854 1.00 . A A . 31 SER HB3 1 1 7 3892 1 1 31 SER HG H 0.424 7.180 3.600 1.00 . A A . 31 SER HG 1 1 7 3893 1 1 31 SER N N 2.101 4.236 3.884 1.00 . A A . 31 SER N 1 1 7 3894 1 1 31 SER O O 2.886 3.680 0.702 1.00 . A A . 31 SER O 1 1 7 3895 1 1 31 SER OG O 1.263 6.804 3.873 1.00 . A A . 31 SER OG 1 1 7 3896 1 1 32 ASP C C 6.431 3.656 1.901 1.00 . A A . 32 ASP C 1 1 7 3897 1 1 32 ASP CA C 5.479 4.561 1.124 1.00 . A A . 32 ASP CA 1 1 7 3898 1 1 32 ASP CB C 6.211 5.827 0.677 1.00 . A A . 32 ASP CB 1 1 7 3899 1 1 32 ASP CG C 6.208 6.905 1.744 1.00 . A A . 32 ASP CG 1 1 7 3900 1 1 32 ASP H H 4.428 5.503 2.702 1.00 . A A . 32 ASP H 1 1 7 3901 1 1 32 ASP HA H 5.131 4.030 0.251 1.00 . A A . 32 ASP HA 1 1 7 3902 1 1 32 ASP HB2 H 7.237 5.580 0.445 1.00 . A A . 32 ASP HB2 1 1 7 3903 1 1 32 ASP HB3 H 5.731 6.219 -0.207 1.00 . A A . 32 ASP HB3 1 1 7 3904 1 1 32 ASP N N 4.316 4.907 1.932 1.00 . A A . 32 ASP N 1 1 7 3905 1 1 32 ASP O O 7.647 3.708 1.713 1.00 . A A . 32 ASP O 1 1 7 3906 1 1 32 ASP OD1 O 5.187 7.614 1.868 1.00 . A A . 32 ASP OD1 1 1 7 3907 1 1 32 ASP OD2 O 7.226 7.038 2.455 1.00 . A A . 32 ASP OD2 1 1 7 3908 1 1 33 HIS C C 5.894 0.629 3.875 1.00 . A A . 33 HIS C 1 1 7 3909 1 1 33 HIS CA C 6.668 1.911 3.582 1.00 . A A . 33 HIS CA 1 1 7 3910 1 1 33 HIS CB C 7.084 2.580 4.892 1.00 . A A . 33 HIS CB 1 1 7 3911 1 1 33 HIS CD2 C 8.806 4.269 3.937 1.00 . A A . 33 HIS CD2 1 1 7 3912 1 1 33 HIS CE1 C 8.103 6.066 4.978 1.00 . A A . 33 HIS CE1 1 1 7 3913 1 1 33 HIS CG C 7.748 3.909 4.701 1.00 . A A . 33 HIS CG 1 1 7 3914 1 1 33 HIS H H 4.895 2.832 2.881 1.00 . A A . 33 HIS H 1 1 7 3915 1 1 33 HIS HA H 7.554 1.660 3.019 1.00 . A A . 33 HIS HA 1 1 7 3916 1 1 33 HIS HB2 H 6.207 2.733 5.504 1.00 . A A . 33 HIS HB2 1 1 7 3917 1 1 33 HIS HB3 H 7.775 1.935 5.415 1.00 . A A . 33 HIS HB3 1 1 7 3918 1 1 33 HIS HD1 H 6.581 5.123 5.967 1.00 . A A . 33 HIS HD1 1 1 7 3919 1 1 33 HIS HD2 H 9.385 3.619 3.296 1.00 . A A . 33 HIS HD2 1 1 7 3920 1 1 33 HIS HE1 H 8.013 7.086 5.319 1.00 . A A . 33 HIS HE1 1 1 7 3921 1 1 33 HIS N N 5.869 2.827 2.775 1.00 . A A . 33 HIS N 1 1 7 3922 1 1 33 HIS ND1 N 7.331 5.057 5.341 1.00 . A A . 33 HIS ND1 1 1 7 3923 1 1 33 HIS NE2 N 9.006 5.614 4.127 1.00 . A A . 33 HIS NE2 1 1 7 3924 1 1 33 HIS O O 4.842 0.661 4.514 1.00 . A A . 33 HIS O 1 1 7 3925 1 1 34 TRP C C 6.684 -2.724 4.405 1.00 . A A . 34 TRP C 1 1 7 3926 1 1 34 TRP CA C 5.777 -1.787 3.614 1.00 . A A . 34 TRP CA 1 1 7 3927 1 1 34 TRP CB C 5.411 -2.423 2.272 1.00 . A A . 34 TRP CB 1 1 7 3928 1 1 34 TRP CD1 C 6.060 -1.384 0.021 1.00 . A A . 34 TRP CD1 1 1 7 3929 1 1 34 TRP CD2 C 7.756 -2.370 1.103 1.00 . A A . 34 TRP CD2 1 1 7 3930 1 1 34 TRP CE2 C 8.242 -1.843 -0.110 1.00 . A A . 34 TRP CE2 1 1 7 3931 1 1 34 TRP CE3 C 8.644 -3.034 1.953 1.00 . A A . 34 TRP CE3 1 1 7 3932 1 1 34 TRP CG C 6.358 -2.065 1.167 1.00 . A A . 34 TRP CG 1 1 7 3933 1 1 34 TRP CH2 C 10.423 -2.618 0.360 1.00 . A A . 34 TRP CH2 1 1 7 3934 1 1 34 TRP CZ2 C 9.575 -1.963 -0.491 1.00 . A A . 34 TRP CZ2 1 1 7 3935 1 1 34 TRP CZ3 C 9.967 -3.153 1.572 1.00 . A A . 34 TRP CZ3 1 1 7 3936 1 1 34 TRP H H 7.261 -0.456 2.900 1.00 . A A . 34 TRP H 1 1 7 3937 1 1 34 TRP HA H 4.873 -1.618 4.180 1.00 . A A . 34 TRP HA 1 1 7 3938 1 1 34 TRP HB2 H 5.414 -3.498 2.378 1.00 . A A . 34 TRP HB2 1 1 7 3939 1 1 34 TRP HB3 H 4.423 -2.096 1.985 1.00 . A A . 34 TRP HB3 1 1 7 3940 1 1 34 TRP HD1 H 5.077 -1.015 -0.229 1.00 . A A . 34 TRP HD1 1 1 7 3941 1 1 34 TRP HE1 H 7.231 -0.796 -1.621 1.00 . A A . 34 TRP HE1 1 1 7 3942 1 1 34 TRP HE3 H 8.312 -3.453 2.891 1.00 . A A . 34 TRP HE3 1 1 7 3943 1 1 34 TRP HH2 H 11.464 -2.735 0.103 1.00 . A A . 34 TRP HH2 1 1 7 3944 1 1 34 TRP HZ2 H 9.942 -1.556 -1.422 1.00 . A A . 34 TRP HZ2 1 1 7 3945 1 1 34 TRP HZ3 H 10.668 -3.663 2.216 1.00 . A A . 34 TRP HZ3 1 1 7 3946 1 1 34 TRP N N 6.420 -0.495 3.403 1.00 . A A . 34 TRP N 1 1 7 3947 1 1 34 TRP NE1 N 7.188 -1.248 -0.752 1.00 . A A . 34 TRP NE1 1 1 7 3948 1 1 34 TRP O O 7.861 -2.430 4.618 1.00 . A A . 34 TRP O 1 1 7 3949 1 1 35 CYS C C 7.249 -6.038 4.741 1.00 . A A . 35 CYS C 1 1 7 3950 1 1 35 CYS CA C 6.890 -4.832 5.604 1.00 . A A . 35 CYS CA 1 1 7 3951 1 1 35 CYS CB C 6.088 -5.286 6.825 1.00 . A A . 35 CYS CB 1 1 7 3952 1 1 35 CYS H H 5.187 -4.030 4.634 1.00 . A A . 35 CYS H 1 1 7 3953 1 1 35 CYS HA H 7.801 -4.359 5.937 1.00 . A A . 35 CYS HA 1 1 7 3954 1 1 35 CYS HB2 H 5.043 -5.342 6.560 1.00 . A A . 35 CYS HB2 1 1 7 3955 1 1 35 CYS HB3 H 6.430 -6.265 7.127 1.00 . A A . 35 CYS HB3 1 1 7 3956 1 1 35 CYS N N 6.131 -3.852 4.836 1.00 . A A . 35 CYS N 1 1 7 3957 1 1 35 CYS O O 6.756 -6.183 3.622 1.00 . A A . 35 CYS O 1 1 7 3958 1 1 35 CYS SG S 6.234 -4.178 8.264 1.00 . A A . 35 CYS SG 1 1 7 3959 1 1 36 ASP C C 7.334 -8.845 3.983 1.00 . A A . 36 ASP C 1 1 7 3960 1 1 36 ASP CA C 8.536 -8.094 4.548 1.00 . A A . 36 ASP CA 1 1 7 3961 1 1 36 ASP CB C 9.339 -9.013 5.471 1.00 . A A . 36 ASP CB 1 1 7 3962 1 1 36 ASP CG C 10.817 -8.676 5.480 1.00 . A A . 36 ASP CG 1 1 7 3963 1 1 36 ASP H H 8.470 -6.729 6.165 1.00 . A A . 36 ASP H 1 1 7 3964 1 1 36 ASP HA H 9.167 -7.781 3.730 1.00 . A A . 36 ASP HA 1 1 7 3965 1 1 36 ASP HB2 H 8.962 -8.921 6.478 1.00 . A A . 36 ASP HB2 1 1 7 3966 1 1 36 ASP HB3 H 9.223 -10.035 5.140 1.00 . A A . 36 ASP HB3 1 1 7 3967 1 1 36 ASP N N 8.111 -6.900 5.269 1.00 . A A . 36 ASP N 1 1 7 3968 1 1 36 ASP O O 7.384 -9.368 2.870 1.00 . A A . 36 ASP O 1 1 7 3969 1 1 36 ASP OD1 O 11.358 -8.346 4.403 1.00 . A A . 36 ASP OD1 1 1 7 3970 1 1 36 ASP OD2 O 11.433 -8.740 6.564 1.00 . A A . 36 ASP OD2 1 1 7 3971 1 1 37 ALA C C 4.068 -8.611 3.670 1.00 . A A . 37 ALA C 1 1 7 3972 1 1 37 ALA CA C 5.041 -9.579 4.335 1.00 . A A . 37 ALA CA 1 1 7 3973 1 1 37 ALA CB C 4.380 -10.264 5.522 1.00 . A A . 37 ALA CB 1 1 7 3974 1 1 37 ALA H H 6.278 -8.458 5.636 1.00 . A A . 37 ALA H 1 1 7 3975 1 1 37 ALA HA H 5.320 -10.341 3.621 1.00 . A A . 37 ALA HA 1 1 7 3976 1 1 37 ALA HB1 H 3.524 -9.686 5.838 1.00 . A A . 37 ALA HB1 1 1 7 3977 1 1 37 ALA HB2 H 4.060 -11.254 5.234 1.00 . A A . 37 ALA HB2 1 1 7 3978 1 1 37 ALA HB3 H 5.087 -10.335 6.335 1.00 . A A . 37 ALA HB3 1 1 7 3979 1 1 37 ALA N N 6.256 -8.894 4.759 1.00 . A A . 37 ALA N 1 1 7 3980 1 1 37 ALA O O 3.681 -7.603 4.261 1.00 . A A . 37 ALA O 1 1 7 3981 1 1 38 SER C C 1.427 -7.938 2.434 1.00 . A A . 38 SER C 1 1 7 3982 1 1 38 SER CA C 2.753 -8.079 1.693 1.00 . A A . 38 SER CA 1 1 7 3983 1 1 38 SER CB C 2.511 -8.660 0.298 1.00 . A A . 38 SER CB 1 1 7 3984 1 1 38 SER H H 4.021 -9.742 2.022 1.00 . A A . 38 SER H 1 1 7 3985 1 1 38 SER HA H 3.202 -7.103 1.594 1.00 . A A . 38 SER HA 1 1 7 3986 1 1 38 SER HB2 H 3.457 -8.792 -0.203 1.00 . A A . 38 SER HB2 1 1 7 3987 1 1 38 SER HB3 H 2.015 -9.615 0.390 1.00 . A A . 38 SER HB3 1 1 7 3988 1 1 38 SER HG H 0.774 -8.017 -0.343 1.00 . A A . 38 SER HG 1 1 7 3989 1 1 38 SER N N 3.677 -8.924 2.439 1.00 . A A . 38 SER N 1 1 7 3990 1 1 38 SER O O 0.436 -8.578 2.085 1.00 . A A . 38 SER O 1 1 7 3991 1 1 38 SER OG O 1.699 -7.797 -0.479 1.00 . A A . 38 SER OG 1 1 7 3992 1 1 39 GLY C C 0.461 -6.077 5.496 1.00 . A A . 39 GLY C 1 1 7 3993 1 1 39 GLY CA C 0.209 -6.882 4.237 1.00 . A A . 39 GLY CA 1 1 7 3994 1 1 39 GLY H H 2.237 -6.609 3.694 1.00 . A A . 39 GLY H 1 1 7 3995 1 1 39 GLY HA2 H -0.511 -6.359 3.626 1.00 . A A . 39 GLY HA2 1 1 7 3996 1 1 39 GLY HA3 H -0.200 -7.843 4.514 1.00 . A A . 39 GLY HA3 1 1 7 3997 1 1 39 GLY N N 1.417 -7.093 3.461 1.00 . A A . 39 GLY N 1 1 7 3998 1 1 39 GLY O O -0.456 -5.466 6.045 1.00 . A A . 39 GLY O 1 1 7 3999 1 1 40 ASP C C 2.513 -3.920 6.815 1.00 . A A . 40 ASP C 1 1 7 4000 1 1 40 ASP CA C 2.078 -5.341 7.159 1.00 . A A . 40 ASP CA 1 1 7 4001 1 1 40 ASP CB C 3.203 -6.066 7.900 1.00 . A A . 40 ASP CB 1 1 7 4002 1 1 40 ASP CG C 2.680 -7.035 8.942 1.00 . A A . 40 ASP CG 1 1 7 4003 1 1 40 ASP H H 2.395 -6.583 5.474 1.00 . A A . 40 ASP H 1 1 7 4004 1 1 40 ASP HA H 1.211 -5.294 7.800 1.00 . A A . 40 ASP HA 1 1 7 4005 1 1 40 ASP HB2 H 3.796 -6.620 7.187 1.00 . A A . 40 ASP HB2 1 1 7 4006 1 1 40 ASP HB3 H 3.829 -5.337 8.393 1.00 . A A . 40 ASP HB3 1 1 7 4007 1 1 40 ASP N N 1.708 -6.077 5.956 1.00 . A A . 40 ASP N 1 1 7 4008 1 1 40 ASP O O 3.350 -3.712 5.937 1.00 . A A . 40 ASP O 1 1 7 4009 1 1 40 ASP OD1 O 2.772 -6.717 10.147 1.00 . A A . 40 ASP OD1 1 1 7 4010 1 1 40 ASP OD2 O 2.178 -8.110 8.554 1.00 . A A . 40 ASP OD2 1 1 7 4011 1 1 41 ARG C C 3.349 -1.071 8.241 1.00 . A A . 41 ARG C 1 1 7 4012 1 1 41 ARG CA C 2.263 -1.544 7.279 1.00 . A A . 41 ARG CA 1 1 7 4013 1 1 41 ARG CB C 1.014 -0.675 7.436 1.00 . A A . 41 ARG CB 1 1 7 4014 1 1 41 ARG CD C -0.137 -1.660 9.442 1.00 . A A . 41 ARG CD 1 1 7 4015 1 1 41 ARG CG C -0.200 -1.439 7.939 1.00 . A A . 41 ARG CG 1 1 7 4016 1 1 41 ARG CZ C -1.138 0.281 10.572 1.00 . A A . 41 ARG CZ 1 1 7 4017 1 1 41 ARG H H 1.277 -3.175 8.200 1.00 . A A . 41 ARG H 1 1 7 4018 1 1 41 ARG HA H 2.629 -1.452 6.267 1.00 . A A . 41 ARG HA 1 1 7 4019 1 1 41 ARG HB2 H 1.227 0.119 8.137 1.00 . A A . 41 ARG HB2 1 1 7 4020 1 1 41 ARG HB3 H 0.768 -0.242 6.478 1.00 . A A . 41 ARG HB3 1 1 7 4021 1 1 41 ARG HD2 H -0.207 -2.719 9.640 1.00 . A A . 41 ARG HD2 1 1 7 4022 1 1 41 ARG HD3 H 0.809 -1.287 9.807 1.00 . A A . 41 ARG HD3 1 1 7 4023 1 1 41 ARG HE H -2.047 -1.474 10.299 1.00 . A A . 41 ARG HE 1 1 7 4024 1 1 41 ARG HG2 H -1.091 -0.874 7.706 1.00 . A A . 41 ARG HG2 1 1 7 4025 1 1 41 ARG HG3 H -0.241 -2.398 7.444 1.00 . A A . 41 ARG HG3 1 1 7 4026 1 1 41 ARG HH11 H 0.745 0.567 9.898 1.00 . A A . 41 ARG HH11 1 1 7 4027 1 1 41 ARG HH12 H 0.028 1.927 10.697 1.00 . A A . 41 ARG HH12 1 1 7 4028 1 1 41 ARG HH21 H -3.002 0.310 11.352 1.00 . A A . 41 ARG HH21 1 1 7 4029 1 1 41 ARG HH22 H -2.103 1.780 11.524 1.00 . A A . 41 ARG HH22 1 1 7 4030 1 1 41 ARG N N 1.937 -2.946 7.512 1.00 . A A . 41 ARG N 1 1 7 4031 1 1 41 ARG NE N -1.219 -0.974 10.142 1.00 . A A . 41 ARG NE 1 1 7 4032 1 1 41 ARG NH1 N -0.030 0.982 10.373 1.00 . A A . 41 ARG NH1 1 1 7 4033 1 1 41 ARG NH2 N -2.166 0.836 11.201 1.00 . A A . 41 ARG NH2 1 1 7 4034 1 1 41 ARG O O 3.285 -1.331 9.443 1.00 . A A . 41 ARG O 1 1 7 4035 1 1 42 CYS C C 5.041 1.411 9.241 1.00 . A A . 42 CYS C 1 1 7 4036 1 1 42 CYS CA C 5.447 0.134 8.512 1.00 . A A . 42 CYS CA 1 1 7 4037 1 1 42 CYS CB C 6.671 0.402 7.634 1.00 . A A . 42 CYS CB 1 1 7 4038 1 1 42 CYS H H 4.341 -0.200 6.738 1.00 . A A . 42 CYS H 1 1 7 4039 1 1 42 CYS HA H 5.697 -0.619 9.243 1.00 . A A . 42 CYS HA 1 1 7 4040 1 1 42 CYS HB2 H 6.344 0.823 6.694 1.00 . A A . 42 CYS HB2 1 1 7 4041 1 1 42 CYS HB3 H 7.315 1.109 8.134 1.00 . A A . 42 CYS HB3 1 1 7 4042 1 1 42 CYS N N 4.346 -0.375 7.703 1.00 . A A . 42 CYS N 1 1 7 4043 1 1 42 CYS O O 4.510 2.343 8.636 1.00 . A A . 42 CYS O 1 1 7 4044 1 1 42 CYS SG S 7.658 -1.083 7.261 1.00 . A A . 42 CYS SG 1 1 7 4045 1 1 43 CYS C C 6.200 3.434 11.672 1.00 . A A . 43 CYS C 1 1 7 4046 1 1 43 CYS CA C 4.955 2.609 11.358 1.00 . A A . 43 CYS CA 1 1 7 4047 1 1 43 CYS CB C 4.281 2.168 12.659 1.00 . A A . 43 CYS CB 1 1 7 4048 1 1 43 CYS H H 5.718 0.673 10.972 1.00 . A A . 43 CYS H 1 1 7 4049 1 1 43 CYS HA H 4.266 3.220 10.795 1.00 . A A . 43 CYS HA 1 1 7 4050 1 1 43 CYS HB2 H 4.772 1.280 13.027 1.00 . A A . 43 CYS HB2 1 1 7 4051 1 1 43 CYS HB3 H 4.378 2.956 13.391 1.00 . A A . 43 CYS HB3 1 1 7 4052 1 1 43 CYS N N 5.294 1.447 10.545 1.00 . A A . 43 CYS N 1 1 7 4053 1 1 43 CYS O O 7.249 2.890 12.016 1.00 . A A . 43 CYS O 1 1 7 4054 1 1 43 CYS SG S 2.508 1.787 12.485 1.00 . A A . 43 CYS SG 1 1 7 4055 1 1 44 CYS C C 6.933 6.467 13.088 1.00 . A A . 44 CYS C 1 1 7 4056 1 1 44 CYS CA C 7.188 5.654 11.822 1.00 . A A . 44 CYS CA 1 1 7 4057 1 1 44 CYS CB C 7.410 6.593 10.635 1.00 . A A . 44 CYS CB 1 1 7 4058 1 1 44 CYS H H 5.212 5.127 11.274 1.00 . A A . 44 CYS H 1 1 7 4059 1 1 44 CYS HA H 8.073 5.054 11.967 1.00 . A A . 44 CYS HA 1 1 7 4060 1 1 44 CYS HB2 H 6.571 7.270 10.559 1.00 . A A . 44 CYS HB2 1 1 7 4061 1 1 44 CYS HB3 H 8.312 7.164 10.802 1.00 . A A . 44 CYS HB3 1 1 7 4062 1 1 44 CYS N N 6.075 4.752 11.552 1.00 . A A . 44 CYS N 1 1 7 4063 1 1 44 CYS O O 5.844 7.004 13.285 1.00 . A A . 44 CYS O 1 1 7 4064 1 1 44 CYS SG S 7.580 5.741 9.034 1.00 . A A . 44 CYS SG 1 1 7 4065 1 1 45 ALA C C 7.985 8.801 14.943 1.00 . A A . 45 ALA C 1 1 7 4066 1 1 45 ALA CA C 7.835 7.303 15.188 1.00 . A A . 45 ALA CA 1 1 7 4067 1 1 45 ALA CB C 8.876 6.824 16.188 1.00 . A A . 45 ALA CB 1 1 7 4068 1 1 45 ALA H H 8.792 6.104 13.730 1.00 . A A . 45 ALA H 1 1 7 4069 1 1 45 ALA HA H 6.857 7.113 15.605 1.00 . A A . 45 ALA HA 1 1 7 4070 1 1 45 ALA HB1 H 9.750 7.456 16.128 1.00 . A A . 45 ALA HB1 1 1 7 4071 1 1 45 ALA HB2 H 8.466 6.871 17.186 1.00 . A A . 45 ALA HB2 1 1 7 4072 1 1 45 ALA HB3 H 9.152 5.805 15.960 1.00 . A A . 45 ALA HB3 1 1 7 4073 1 1 45 ALA N N 7.947 6.554 13.943 1.00 . A A . 45 ALA N 1 1 7 4074 1 1 45 ALA O O 7.414 9.618 15.667 1.00 . A A . 45 ALA O 1 1 8 4075 1 1 1 CYS C C 2.706 -1.260 -1.413 1.00 . A A . 1 CYS C 1 1 8 4076 1 1 1 CYS CA C 2.079 0.123 -1.261 1.00 . A A . 1 CYS CA 1 1 8 4077 1 1 1 CYS CB C 3.176 1.184 -1.155 1.00 . A A . 1 CYS CB 1 1 8 4078 1 1 1 CYS HA H 1.475 0.328 -2.132 1.00 . A A . 1 CYS HA 1 1 8 4079 1 1 1 CYS HB2 H 3.932 0.985 -1.901 1.00 . A A . 1 CYS HB2 1 1 8 4080 1 1 1 CYS HB3 H 2.744 2.157 -1.339 1.00 . A A . 1 CYS HB3 1 1 8 4081 1 1 1 CYS N N 1.210 0.174 -0.092 1.00 . A A . 1 CYS N 1 1 8 4082 1 1 1 CYS O O 2.857 -1.995 -0.436 1.00 . A A . 1 CYS O 1 1 8 4083 1 1 1 CYS SG S 4.002 1.239 0.468 1.00 . A A . 1 CYS SG 1 1 8 4084 1 1 2 TYR C C 5.195 -2.838 -2.757 1.00 . A A . 2 TYR C 1 1 8 4085 1 1 2 TYR CA C 3.679 -2.902 -2.922 1.00 . A A . 2 TYR CA 1 1 8 4086 1 1 2 TYR CB C 3.328 -3.359 -4.339 1.00 . A A . 2 TYR CB 1 1 8 4087 1 1 2 TYR CD1 C 1.192 -4.202 -5.388 1.00 . A A . 2 TYR CD1 1 1 8 4088 1 1 2 TYR CD2 C 2.015 -5.326 -3.454 1.00 . A A . 2 TYR CD2 1 1 8 4089 1 1 2 TYR CE1 C 0.120 -5.072 -5.443 1.00 . A A . 2 TYR CE1 1 1 8 4090 1 1 2 TYR CE2 C 0.948 -6.201 -3.502 1.00 . A A . 2 TYR CE2 1 1 8 4091 1 1 2 TYR CG C 2.157 -4.313 -4.395 1.00 . A A . 2 TYR CG 1 1 8 4092 1 1 2 TYR CZ C 0.002 -6.070 -4.498 1.00 . A A . 2 TYR CZ 1 1 8 4093 1 1 2 TYR H H 2.924 -0.979 -3.380 1.00 . A A . 2 TYR H 1 1 8 4094 1 1 2 TYR HA H 3.281 -3.616 -2.215 1.00 . A A . 2 TYR HA 1 1 8 4095 1 1 2 TYR HB2 H 3.080 -2.495 -4.937 1.00 . A A . 2 TYR HB2 1 1 8 4096 1 1 2 TYR HB3 H 4.184 -3.857 -4.772 1.00 . A A . 2 TYR HB3 1 1 8 4097 1 1 2 TYR HD1 H 1.286 -3.419 -6.127 1.00 . A A . 2 TYR HD1 1 1 8 4098 1 1 2 TYR HD2 H 2.758 -5.426 -2.675 1.00 . A A . 2 TYR HD2 1 1 8 4099 1 1 2 TYR HE1 H -0.621 -4.969 -6.222 1.00 . A A . 2 TYR HE1 1 1 8 4100 1 1 2 TYR HE2 H 0.855 -6.982 -2.762 1.00 . A A . 2 TYR HE2 1 1 8 4101 1 1 2 TYR HH H -1.756 -6.564 -5.098 1.00 . A A . 2 TYR HH 1 1 8 4102 1 1 2 TYR N N 3.070 -1.607 -2.642 1.00 . A A . 2 TYR N 1 1 8 4103 1 1 2 TYR O O 5.798 -1.765 -2.731 1.00 . A A . 2 TYR O 1 1 8 4104 1 1 2 TYR OH O -1.064 -6.938 -4.548 1.00 . A A . 2 TYR OH 1 1 8 4105 1 1 3 PRO C C 8.035 -3.728 -3.743 1.00 . A A . 3 PRO C 1 1 8 4106 1 1 3 PRO CA C 7.279 -4.122 -2.479 1.00 . A A . 3 PRO CA 1 1 8 4107 1 1 3 PRO CB C 7.493 -5.606 -2.168 1.00 . A A . 3 PRO CB 1 1 8 4108 1 1 3 PRO CD C 5.171 -5.334 -2.665 1.00 . A A . 3 PRO CD 1 1 8 4109 1 1 3 PRO CG C 6.323 -6.294 -2.781 1.00 . A A . 3 PRO CG 1 1 8 4110 1 1 3 PRO HA H 7.630 -3.525 -1.650 1.00 . A A . 3 PRO HA 1 1 8 4111 1 1 3 PRO HB2 H 8.423 -5.938 -2.609 1.00 . A A . 3 PRO HB2 1 1 8 4112 1 1 3 PRO HB3 H 7.523 -5.753 -1.099 1.00 . A A . 3 PRO HB3 1 1 8 4113 1 1 3 PRO HD2 H 4.516 -5.425 -3.519 1.00 . A A . 3 PRO HD2 1 1 8 4114 1 1 3 PRO HD3 H 4.625 -5.508 -1.749 1.00 . A A . 3 PRO HD3 1 1 8 4115 1 1 3 PRO HG2 H 6.526 -6.512 -3.818 1.00 . A A . 3 PRO HG2 1 1 8 4116 1 1 3 PRO HG3 H 6.108 -7.204 -2.240 1.00 . A A . 3 PRO HG3 1 1 8 4117 1 1 3 PRO N N 5.826 -4.016 -2.643 1.00 . A A . 3 PRO N 1 1 8 4118 1 1 3 PRO O O 8.113 -4.501 -4.698 1.00 . A A . 3 PRO O 1 1 8 4119 1 1 4 GLY C C 8.548 -1.050 -5.722 1.00 . A A . 4 GLY C 1 1 8 4120 1 1 4 GLY CA C 9.335 -2.046 -4.895 1.00 . A A . 4 GLY CA 1 1 8 4121 1 1 4 GLY H H 8.498 -1.948 -2.953 1.00 . A A . 4 GLY H 1 1 8 4122 1 1 4 GLY HA2 H 10.245 -1.576 -4.554 1.00 . A A . 4 GLY HA2 1 1 8 4123 1 1 4 GLY HA3 H 9.590 -2.891 -5.518 1.00 . A A . 4 GLY HA3 1 1 8 4124 1 1 4 GLY N N 8.592 -2.521 -3.743 1.00 . A A . 4 GLY N 1 1 8 4125 1 1 4 GLY O O 8.875 -0.801 -6.882 1.00 . A A . 4 GLY O 1 1 8 4126 1 1 5 GLN C C 7.372 1.844 -5.916 1.00 . A A . 5 GLN C 1 1 8 4127 1 1 5 GLN CA C 6.669 0.494 -5.816 1.00 . A A . 5 GLN CA 1 1 8 4128 1 1 5 GLN CB C 5.332 0.654 -5.090 1.00 . A A . 5 GLN CB 1 1 8 4129 1 1 5 GLN CD C 2.941 -0.089 -5.427 1.00 . A A . 5 GLN CD 1 1 8 4130 1 1 5 GLN CG C 4.387 -0.520 -5.288 1.00 . A A . 5 GLN CG 1 1 8 4131 1 1 5 GLN H H 7.296 -0.719 -4.199 1.00 . A A . 5 GLN H 1 1 8 4132 1 1 5 GLN HA H 6.484 0.123 -6.813 1.00 . A A . 5 GLN HA 1 1 8 4133 1 1 5 GLN HB2 H 5.521 0.763 -4.033 1.00 . A A . 5 GLN HB2 1 1 8 4134 1 1 5 GLN HB3 H 4.843 1.546 -5.454 1.00 . A A . 5 GLN HB3 1 1 8 4135 1 1 5 GLN HE21 H 2.920 -0.684 -7.323 1.00 . A A . 5 GLN HE21 1 1 8 4136 1 1 5 GLN HE22 H 1.443 -0.011 -6.731 1.00 . A A . 5 GLN HE22 1 1 8 4137 1 1 5 GLN HG2 H 4.676 -1.051 -6.183 1.00 . A A . 5 GLN HG2 1 1 8 4138 1 1 5 GLN HG3 H 4.471 -1.180 -4.437 1.00 . A A . 5 GLN HG3 1 1 8 4139 1 1 5 GLN N N 7.506 -0.479 -5.125 1.00 . A A . 5 GLN N 1 1 8 4140 1 1 5 GLN NE2 N 2.377 -0.280 -6.614 1.00 . A A . 5 GLN NE2 1 1 8 4141 1 1 5 GLN O O 8.287 2.152 -5.153 1.00 . A A . 5 GLN O 1 1 8 4142 1 1 5 GLN OE1 O 2.336 0.410 -4.477 1.00 . A A . 5 GLN OE1 1 1 8 4143 1 1 6 PRO C C 7.169 4.972 -5.979 1.00 . A A . 6 PRO C 1 1 8 4144 1 1 6 PRO CA C 7.509 3.999 -7.103 1.00 . A A . 6 PRO CA 1 1 8 4145 1 1 6 PRO CB C 6.862 4.449 -8.415 1.00 . A A . 6 PRO CB 1 1 8 4146 1 1 6 PRO CD C 5.848 2.366 -7.826 1.00 . A A . 6 PRO CD 1 1 8 4147 1 1 6 PRO CG C 5.582 3.691 -8.485 1.00 . A A . 6 PRO CG 1 1 8 4148 1 1 6 PRO HA H 8.582 3.953 -7.225 1.00 . A A . 6 PRO HA 1 1 8 4149 1 1 6 PRO HB2 H 6.690 5.516 -8.386 1.00 . A A . 6 PRO HB2 1 1 8 4150 1 1 6 PRO HB3 H 7.511 4.206 -9.242 1.00 . A A . 6 PRO HB3 1 1 8 4151 1 1 6 PRO HD2 H 4.968 2.021 -7.304 1.00 . A A . 6 PRO HD2 1 1 8 4152 1 1 6 PRO HD3 H 6.166 1.638 -8.557 1.00 . A A . 6 PRO HD3 1 1 8 4153 1 1 6 PRO HG2 H 4.809 4.225 -7.955 1.00 . A A . 6 PRO HG2 1 1 8 4154 1 1 6 PRO HG3 H 5.298 3.545 -9.517 1.00 . A A . 6 PRO HG3 1 1 8 4155 1 1 6 PRO N N 6.935 2.669 -6.880 1.00 . A A . 6 PRO N 1 1 8 4156 1 1 6 PRO O O 6.151 5.662 -6.029 1.00 . A A . 6 PRO O 1 1 8 4157 1 1 7 GLY C C 7.848 5.197 -2.512 1.00 . A A . 7 GLY C 1 1 8 4158 1 1 7 GLY CA C 7.801 5.917 -3.845 1.00 . A A . 7 GLY CA 1 1 8 4159 1 1 7 GLY H H 8.824 4.451 -4.980 1.00 . A A . 7 GLY H 1 1 8 4160 1 1 7 GLY HA2 H 8.557 6.687 -3.853 1.00 . A A . 7 GLY HA2 1 1 8 4161 1 1 7 GLY HA3 H 6.831 6.377 -3.958 1.00 . A A . 7 GLY HA3 1 1 8 4162 1 1 7 GLY N N 8.029 5.024 -4.966 1.00 . A A . 7 GLY N 1 1 8 4163 1 1 7 GLY O O 8.145 5.802 -1.481 1.00 . A A . 7 GLY O 1 1 8 4164 1 1 8 CYS C C 8.896 2.377 -1.146 1.00 . A A . 8 CYS C 1 1 8 4165 1 1 8 CYS CA C 7.561 3.097 -1.314 1.00 . A A . 8 CYS CA 1 1 8 4166 1 1 8 CYS CB C 6.420 2.079 -1.343 1.00 . A A . 8 CYS CB 1 1 8 4167 1 1 8 CYS H H 7.325 3.474 -3.383 1.00 . A A . 8 CYS H 1 1 8 4168 1 1 8 CYS HA H 7.417 3.762 -0.476 1.00 . A A . 8 CYS HA 1 1 8 4169 1 1 8 CYS HB2 H 5.550 2.538 -1.791 1.00 . A A . 8 CYS HB2 1 1 8 4170 1 1 8 CYS HB3 H 6.720 1.230 -1.940 1.00 . A A . 8 CYS HB3 1 1 8 4171 1 1 8 CYS N N 7.553 3.901 -2.530 1.00 . A A . 8 CYS N 1 1 8 4172 1 1 8 CYS O O 9.720 2.354 -2.059 1.00 . A A . 8 CYS O 1 1 8 4173 1 1 8 CYS SG S 5.934 1.459 0.300 1.00 . A A . 8 CYS SG 1 1 8 4174 1 1 9 GLY C C 10.394 0.520 1.704 1.00 . A A . 9 GLY C 1 1 8 4175 1 1 9 GLY CA C 10.337 1.076 0.295 1.00 . A A . 9 GLY CA 1 1 8 4176 1 1 9 GLY H H 8.409 1.840 0.720 1.00 . A A . 9 GLY H 1 1 8 4177 1 1 9 GLY HA2 H 10.427 0.260 -0.406 1.00 . A A . 9 GLY HA2 1 1 8 4178 1 1 9 GLY HA3 H 11.167 1.752 0.154 1.00 . A A . 9 GLY HA3 1 1 8 4179 1 1 9 GLY N N 9.102 1.789 0.029 1.00 . A A . 9 GLY N 1 1 8 4180 1 1 9 GLY O O 9.451 0.679 2.480 1.00 . A A . 9 GLY O 1 1 8 4181 1 1 10 HIS C C 11.786 0.373 4.424 1.00 . A A . 10 HIS C 1 1 8 4182 1 1 10 HIS CA C 11.677 -0.717 3.362 1.00 . A A . 10 HIS CA 1 1 8 4183 1 1 10 HIS CB C 12.924 -1.602 3.393 1.00 . A A . 10 HIS CB 1 1 8 4184 1 1 10 HIS CD2 C 14.305 -2.661 5.316 1.00 . A A . 10 HIS CD2 1 1 8 4185 1 1 10 HIS CE1 C 12.651 -3.141 6.672 1.00 . A A . 10 HIS CE1 1 1 8 4186 1 1 10 HIS CG C 13.159 -2.258 4.718 1.00 . A A . 10 HIS CG 1 1 8 4187 1 1 10 HIS H H 12.218 -0.228 1.375 1.00 . A A . 10 HIS H 1 1 8 4188 1 1 10 HIS HA H 10.810 -1.324 3.575 1.00 . A A . 10 HIS HA 1 1 8 4189 1 1 10 HIS HB2 H 12.823 -2.380 2.651 1.00 . A A . 10 HIS HB2 1 1 8 4190 1 1 10 HIS HB3 H 13.790 -1.000 3.161 1.00 . A A . 10 HIS HB3 1 1 8 4191 1 1 10 HIS HD1 H 11.188 -2.407 5.446 1.00 . A A . 10 HIS HD1 1 1 8 4192 1 1 10 HIS HD2 H 15.305 -2.570 4.913 1.00 . A A . 10 HIS HD2 1 1 8 4193 1 1 10 HIS HE1 H 12.092 -3.492 7.526 1.00 . A A . 10 HIS HE1 1 1 8 4194 1 1 10 HIS N N 11.502 -0.135 2.037 1.00 . A A . 10 HIS N 1 1 8 4195 1 1 10 HIS ND1 N 12.142 -2.574 5.593 1.00 . A A . 10 HIS ND1 1 1 8 4196 1 1 10 HIS NE2 N 13.963 -3.206 6.529 1.00 . A A . 10 HIS NE2 1 1 8 4197 1 1 10 HIS O O 12.670 1.228 4.363 1.00 . A A . 10 HIS O 1 1 8 4198 1 1 11 CYS C C 12.140 1.214 7.317 1.00 . A A . 11 CYS C 1 1 8 4199 1 1 11 CYS CA C 10.874 1.322 6.472 1.00 . A A . 11 CYS CA 1 1 8 4200 1 1 11 CYS CB C 9.640 1.134 7.356 1.00 . A A . 11 CYS CB 1 1 8 4201 1 1 11 CYS H H 10.200 -0.369 5.392 1.00 . A A . 11 CYS H 1 1 8 4202 1 1 11 CYS HA H 10.838 2.303 6.023 1.00 . A A . 11 CYS HA 1 1 8 4203 1 1 11 CYS HB2 H 9.658 1.869 8.147 1.00 . A A . 11 CYS HB2 1 1 8 4204 1 1 11 CYS HB3 H 8.752 1.278 6.758 1.00 . A A . 11 CYS HB3 1 1 8 4205 1 1 11 CYS N N 10.881 0.337 5.397 1.00 . A A . 11 CYS N 1 1 8 4206 1 1 11 CYS O O 12.856 0.214 7.257 1.00 . A A . 11 CYS O 1 1 8 4207 1 1 11 CYS SG S 9.526 -0.510 8.133 1.00 . A A . 11 CYS SG 1 1 8 4208 1 1 12 SER C C 13.342 3.116 10.207 1.00 . A A . 12 SER C 1 1 8 4209 1 1 12 SER CA C 13.591 2.274 8.959 1.00 . A A . 12 SER CA 1 1 8 4210 1 1 12 SER CB C 14.793 2.825 8.189 1.00 . A A . 12 SER CB 1 1 8 4211 1 1 12 SER H H 11.801 3.018 8.108 1.00 . A A . 12 SER H 1 1 8 4212 1 1 12 SER HA H 13.802 1.259 9.261 1.00 . A A . 12 SER HA 1 1 8 4213 1 1 12 SER HB2 H 14.488 3.081 7.186 1.00 . A A . 12 SER HB2 1 1 8 4214 1 1 12 SER HB3 H 15.163 3.708 8.690 1.00 . A A . 12 SER HB3 1 1 8 4215 1 1 12 SER HG H 16.682 2.319 8.080 1.00 . A A . 12 SER HG 1 1 8 4216 1 1 12 SER N N 12.410 2.250 8.104 1.00 . A A . 12 SER N 1 1 8 4217 1 1 12 SER O O 12.611 4.106 10.165 1.00 . A A . 12 SER O 1 1 8 4218 1 1 12 SER OG O 15.836 1.868 8.119 1.00 . A A . 12 SER OG 1 1 8 4219 1 1 13 ARG C C 13.796 4.942 12.346 1.00 . A A . 13 ARG C 1 1 8 4220 1 1 13 ARG CA C 13.801 3.433 12.575 1.00 . A A . 13 ARG CA 1 1 8 4221 1 1 13 ARG CB C 14.925 3.057 13.542 1.00 . A A . 13 ARG CB 1 1 8 4222 1 1 13 ARG CD C 16.187 1.195 14.664 1.00 . A A . 13 ARG CD 1 1 8 4223 1 1 13 ARG CG C 14.892 1.601 13.977 1.00 . A A . 13 ARG CG 1 1 8 4224 1 1 13 ARG CZ C 16.419 2.628 16.648 1.00 . A A . 13 ARG CZ 1 1 8 4225 1 1 13 ARG H H 14.526 1.920 11.286 1.00 . A A . 13 ARG H 1 1 8 4226 1 1 13 ARG HA H 12.855 3.144 13.007 1.00 . A A . 13 ARG HA 1 1 8 4227 1 1 13 ARG HB2 H 15.874 3.245 13.063 1.00 . A A . 13 ARG HB2 1 1 8 4228 1 1 13 ARG HB3 H 14.847 3.675 14.424 1.00 . A A . 13 ARG HB3 1 1 8 4229 1 1 13 ARG HD2 H 16.352 0.141 14.499 1.00 . A A . 13 ARG HD2 1 1 8 4230 1 1 13 ARG HD3 H 17.000 1.759 14.231 1.00 . A A . 13 ARG HD3 1 1 8 4231 1 1 13 ARG HE H 15.905 0.701 16.688 1.00 . A A . 13 ARG HE 1 1 8 4232 1 1 13 ARG HG2 H 14.073 1.458 14.666 1.00 . A A . 13 ARG HG2 1 1 8 4233 1 1 13 ARG HG3 H 14.746 0.978 13.107 1.00 . A A . 13 ARG HG3 1 1 8 4234 1 1 13 ARG HH11 H 16.793 3.546 14.888 1.00 . A A . 13 ARG HH11 1 1 8 4235 1 1 13 ARG HH12 H 16.952 4.545 16.295 1.00 . A A . 13 ARG HH12 1 1 8 4236 1 1 13 ARG HH21 H 16.111 2.006 18.547 1.00 . A A . 13 ARG HH21 1 1 8 4237 1 1 13 ARG HH22 H 16.565 3.668 18.375 1.00 . A A . 13 ARG HH22 1 1 8 4238 1 1 13 ARG N N 13.956 2.716 11.315 1.00 . A A . 13 ARG N 1 1 8 4239 1 1 13 ARG NE N 16.146 1.448 16.102 1.00 . A A . 13 ARG NE 1 1 8 4240 1 1 13 ARG NH1 N 16.749 3.658 15.881 1.00 . A A . 13 ARG NH1 1 1 8 4241 1 1 13 ARG NH2 N 16.360 2.780 17.965 1.00 . A A . 13 ARG NH2 1 1 8 4242 1 1 13 ARG O O 14.474 5.461 11.459 1.00 . A A . 13 ARG O 1 1 8 4243 1 1 14 PRO C C 11.040 4.241 13.666 1.00 . A A . 14 PRO C 1 1 8 4244 1 1 14 PRO CA C 12.203 5.055 14.222 1.00 . A A . 14 PRO CA 1 1 8 4245 1 1 14 PRO CB C 11.685 6.261 15.009 1.00 . A A . 14 PRO CB 1 1 8 4246 1 1 14 PRO CD C 12.862 7.126 13.116 1.00 . A A . 14 PRO CD 1 1 8 4247 1 1 14 PRO CG C 11.695 7.384 14.030 1.00 . A A . 14 PRO CG 1 1 8 4248 1 1 14 PRO HA H 12.800 4.430 14.871 1.00 . A A . 14 PRO HA 1 1 8 4249 1 1 14 PRO HB2 H 10.685 6.058 15.367 1.00 . A A . 14 PRO HB2 1 1 8 4250 1 1 14 PRO HB3 H 12.339 6.460 15.844 1.00 . A A . 14 PRO HB3 1 1 8 4251 1 1 14 PRO HD2 H 12.636 7.458 12.114 1.00 . A A . 14 PRO HD2 1 1 8 4252 1 1 14 PRO HD3 H 13.748 7.618 13.489 1.00 . A A . 14 PRO HD3 1 1 8 4253 1 1 14 PRO HG2 H 10.774 7.391 13.468 1.00 . A A . 14 PRO HG2 1 1 8 4254 1 1 14 PRO HG3 H 11.827 8.322 14.549 1.00 . A A . 14 PRO HG3 1 1 8 4255 1 1 14 PRO N N 13.014 5.662 13.163 1.00 . A A . 14 PRO N 1 1 8 4256 1 1 14 PRO O O 10.119 3.878 14.397 1.00 . A A . 14 PRO O 1 1 8 4257 1 1 15 ASN C C 10.274 1.689 11.886 1.00 . A A . 15 ASN C 1 1 8 4258 1 1 15 ASN CA C 10.037 3.186 11.715 1.00 . A A . 15 ASN CA 1 1 8 4259 1 1 15 ASN CB C 9.970 3.536 10.227 1.00 . A A . 15 ASN CB 1 1 8 4260 1 1 15 ASN CG C 10.251 5.003 9.964 1.00 . A A . 15 ASN CG 1 1 8 4261 1 1 15 ASN H H 11.849 4.274 11.838 1.00 . A A . 15 ASN H 1 1 8 4262 1 1 15 ASN HA H 9.098 3.446 12.179 1.00 . A A . 15 ASN HA 1 1 8 4263 1 1 15 ASN HB2 H 10.701 2.948 9.692 1.00 . A A . 15 ASN HB2 1 1 8 4264 1 1 15 ASN HB3 H 8.984 3.305 9.853 1.00 . A A . 15 ASN HB3 1 1 8 4265 1 1 15 ASN HD21 H 10.936 4.572 8.148 1.00 . A A . 15 ASN HD21 1 1 8 4266 1 1 15 ASN HD22 H 10.960 6.244 8.583 1.00 . A A . 15 ASN HD22 1 1 8 4267 1 1 15 ASN N N 11.088 3.957 12.369 1.00 . A A . 15 ASN N 1 1 8 4268 1 1 15 ASN ND2 N 10.768 5.303 8.778 1.00 . A A . 15 ASN ND2 1 1 8 4269 1 1 15 ASN O O 11.415 1.226 11.885 1.00 . A A . 15 ASN O 1 1 8 4270 1 1 15 ASN OD1 O 10.007 5.856 10.818 1.00 . A A . 15 ASN OD1 1 1 8 4271 1 1 16 TYR C C 8.128 -1.215 11.497 1.00 . A A . 16 TYR C 1 1 8 4272 1 1 16 TYR CA C 9.279 -0.508 12.208 1.00 . A A . 16 TYR CA 1 1 8 4273 1 1 16 TYR CB C 9.270 -0.865 13.695 1.00 . A A . 16 TYR CB 1 1 8 4274 1 1 16 TYR CD1 C 7.486 0.620 14.690 1.00 . A A . 16 TYR CD1 1 1 8 4275 1 1 16 TYR CD2 C 7.103 -1.732 14.659 1.00 . A A . 16 TYR CD2 1 1 8 4276 1 1 16 TYR CE1 C 6.262 0.817 15.298 1.00 . A A . 16 TYR CE1 1 1 8 4277 1 1 16 TYR CE2 C 5.876 -1.545 15.266 1.00 . A A . 16 TYR CE2 1 1 8 4278 1 1 16 TYR CG C 7.928 -0.655 14.360 1.00 . A A . 16 TYR CG 1 1 8 4279 1 1 16 TYR CZ C 5.460 -0.269 15.584 1.00 . A A . 16 TYR CZ 1 1 8 4280 1 1 16 TYR H H 8.307 1.363 12.026 1.00 . A A . 16 TYR H 1 1 8 4281 1 1 16 TYR HA H 10.212 -0.837 11.774 1.00 . A A . 16 TYR HA 1 1 8 4282 1 1 16 TYR HB2 H 9.538 -1.903 13.811 1.00 . A A . 16 TYR HB2 1 1 8 4283 1 1 16 TYR HB3 H 9.995 -0.251 14.210 1.00 . A A . 16 TYR HB3 1 1 8 4284 1 1 16 TYR HD1 H 8.116 1.469 14.465 1.00 . A A . 16 TYR HD1 1 1 8 4285 1 1 16 TYR HD2 H 7.432 -2.730 14.409 1.00 . A A . 16 TYR HD2 1 1 8 4286 1 1 16 TYR HE1 H 5.935 1.816 15.547 1.00 . A A . 16 TYR HE1 1 1 8 4287 1 1 16 TYR HE2 H 5.248 -2.395 15.490 1.00 . A A . 16 TYR HE2 1 1 8 4288 1 1 16 TYR HH H 4.373 0.185 17.103 1.00 . A A . 16 TYR HH 1 1 8 4289 1 1 16 TYR N N 9.189 0.937 12.033 1.00 . A A . 16 TYR N 1 1 8 4290 1 1 16 TYR O O 7.350 -0.589 10.777 1.00 . A A . 16 TYR O 1 1 8 4291 1 1 16 TYR OH O 4.239 -0.078 16.190 1.00 . A A . 16 TYR OH 1 1 8 4292 1 1 17 CYS C C 5.751 -3.401 11.994 1.00 . A A . 17 CYS C 1 1 8 4293 1 1 17 CYS CA C 6.974 -3.318 11.085 1.00 . A A . 17 CYS CA 1 1 8 4294 1 1 17 CYS CB C 7.486 -4.725 10.770 1.00 . A A . 17 CYS CB 1 1 8 4295 1 1 17 CYS H H 8.679 -2.966 12.290 1.00 . A A . 17 CYS H 1 1 8 4296 1 1 17 CYS HA H 6.691 -2.832 10.164 1.00 . A A . 17 CYS HA 1 1 8 4297 1 1 17 CYS HB2 H 8.302 -4.960 11.438 1.00 . A A . 17 CYS HB2 1 1 8 4298 1 1 17 CYS HB3 H 6.686 -5.433 10.925 1.00 . A A . 17 CYS HB3 1 1 8 4299 1 1 17 CYS N N 8.028 -2.523 11.705 1.00 . A A . 17 CYS N 1 1 8 4300 1 1 17 CYS O O 5.874 -3.623 13.198 1.00 . A A . 17 CYS O 1 1 8 4301 1 1 17 CYS SG S 8.089 -4.931 9.064 1.00 . A A . 17 CYS SG 1 1 8 4302 1 1 18 GLU C C 2.196 -3.848 11.311 1.00 . A A . 18 GLU C 1 1 8 4303 1 1 18 GLU CA C 3.326 -3.276 12.163 1.00 . A A . 18 GLU CA 1 1 8 4304 1 1 18 GLU CB C 2.946 -1.881 12.664 1.00 . A A . 18 GLU CB 1 1 8 4305 1 1 18 GLU CD C 2.098 -3.136 14.685 1.00 . A A . 18 GLU CD 1 1 8 4306 1 1 18 GLU CG C 1.962 -1.897 13.822 1.00 . A A . 18 GLU CG 1 1 8 4307 1 1 18 GLU H H 4.538 -3.049 10.443 1.00 . A A . 18 GLU H 1 1 8 4308 1 1 18 GLU HA H 3.482 -3.923 13.013 1.00 . A A . 18 GLU HA 1 1 8 4309 1 1 18 GLU HB2 H 3.842 -1.371 12.985 1.00 . A A . 18 GLU HB2 1 1 8 4310 1 1 18 GLU HB3 H 2.501 -1.329 11.849 1.00 . A A . 18 GLU HB3 1 1 8 4311 1 1 18 GLU HG2 H 2.137 -1.028 14.437 1.00 . A A . 18 GLU HG2 1 1 8 4312 1 1 18 GLU HG3 H 0.958 -1.861 13.425 1.00 . A A . 18 GLU HG3 1 1 8 4313 1 1 18 GLU N N 4.571 -3.222 11.406 1.00 . A A . 18 GLU N 1 1 8 4314 1 1 18 GLU O O 1.677 -3.179 10.419 1.00 . A A . 18 GLU O 1 1 8 4315 1 1 18 GLU OE1 O 1.469 -4.163 14.352 1.00 . A A . 18 GLU OE1 1 1 8 4316 1 1 18 GLU OE2 O 2.832 -3.080 15.694 1.00 . A A . 18 GLU OE2 1 1 8 4317 1 1 19 GLY C C -0.598 -5.560 11.499 1.00 . A A . 19 GLY C 1 1 8 4318 1 1 19 GLY CA C 0.758 -5.735 10.844 1.00 . A A . 19 GLY CA 1 1 8 4319 1 1 19 GLY H H 2.273 -5.579 12.315 1.00 . A A . 19 GLY H 1 1 8 4320 1 1 19 GLY HA2 H 0.724 -5.311 9.852 1.00 . A A . 19 GLY HA2 1 1 8 4321 1 1 19 GLY HA3 H 0.974 -6.790 10.767 1.00 . A A . 19 GLY HA3 1 1 8 4322 1 1 19 GLY N N 1.822 -5.093 11.593 1.00 . A A . 19 GLY N 1 1 8 4323 1 1 19 GLY O O -1.594 -6.119 11.038 1.00 . A A . 19 GLY O 1 1 8 4324 1 1 20 ALA C C -2.159 -3.043 13.417 1.00 . A A . 20 ALA C 1 1 8 4325 1 1 20 ALA CA C -1.882 -4.537 13.296 1.00 . A A . 20 ALA CA 1 1 8 4326 1 1 20 ALA CB C -1.831 -5.180 14.674 1.00 . A A . 20 ALA CB 1 1 8 4327 1 1 20 ALA H H 0.189 -4.366 12.896 1.00 . A A . 20 ALA H 1 1 8 4328 1 1 20 ALA HA H -2.686 -4.998 12.740 1.00 . A A . 20 ALA HA 1 1 8 4329 1 1 20 ALA HB1 H -2.437 -4.606 15.360 1.00 . A A . 20 ALA HB1 1 1 8 4330 1 1 20 ALA HB2 H -2.212 -6.189 14.614 1.00 . A A . 20 ALA HB2 1 1 8 4331 1 1 20 ALA HB3 H -0.810 -5.200 15.024 1.00 . A A . 20 ALA HB3 1 1 8 4332 1 1 20 ALA N N -0.638 -4.784 12.577 1.00 . A A . 20 ALA N 1 1 8 4333 1 1 20 ALA O O -3.012 -2.501 12.713 1.00 . A A . 20 ALA O 1 1 8 4334 1 1 21 ARG C C -0.403 -0.365 15.267 1.00 . A A . 21 ARG C 1 1 8 4335 1 1 21 ARG CA C -1.603 -0.950 14.527 1.00 . A A . 21 ARG CA 1 1 8 4336 1 1 21 ARG CB C -2.885 -0.679 15.318 1.00 . A A . 21 ARG CB 1 1 8 4337 1 1 21 ARG CD C -5.013 0.648 15.485 1.00 . A A . 21 ARG CD 1 1 8 4338 1 1 21 ARG CG C -3.890 0.182 14.571 1.00 . A A . 21 ARG CG 1 1 8 4339 1 1 21 ARG CZ C -5.848 2.522 14.132 1.00 . A A . 21 ARG CZ 1 1 8 4340 1 1 21 ARG H H -0.769 -2.869 14.844 1.00 . A A . 21 ARG H 1 1 8 4341 1 1 21 ARG HA H -1.681 -0.477 13.560 1.00 . A A . 21 ARG HA 1 1 8 4342 1 1 21 ARG HB2 H -3.356 -1.622 15.552 1.00 . A A . 21 ARG HB2 1 1 8 4343 1 1 21 ARG HB3 H -2.626 -0.177 16.237 1.00 . A A . 21 ARG HB3 1 1 8 4344 1 1 21 ARG HD2 H -5.888 0.045 15.294 1.00 . A A . 21 ARG HD2 1 1 8 4345 1 1 21 ARG HD3 H -4.702 0.514 16.511 1.00 . A A . 21 ARG HD3 1 1 8 4346 1 1 21 ARG HE H -5.191 2.675 16.009 1.00 . A A . 21 ARG HE 1 1 8 4347 1 1 21 ARG HG2 H -3.383 1.048 14.173 1.00 . A A . 21 ARG HG2 1 1 8 4348 1 1 21 ARG HG3 H -4.312 -0.394 13.761 1.00 . A A . 21 ARG HG3 1 1 8 4349 1 1 21 ARG HH11 H -5.861 0.730 13.201 1.00 . A A . 21 ARG HH11 1 1 8 4350 1 1 21 ARG HH12 H -6.448 2.060 12.258 1.00 . A A . 21 ARG HH12 1 1 8 4351 1 1 21 ARG HH21 H -5.961 4.434 14.778 1.00 . A A . 21 ARG HH21 1 1 8 4352 1 1 21 ARG HH22 H -6.503 4.167 13.156 1.00 . A A . 21 ARG HH22 1 1 8 4353 1 1 21 ARG N N -1.434 -2.382 14.313 1.00 . A A . 21 ARG N 1 1 8 4354 1 1 21 ARG NE N -5.348 2.053 15.269 1.00 . A A . 21 ARG NE 1 1 8 4355 1 1 21 ARG NH1 N -6.070 1.703 13.113 1.00 . A A . 21 ARG NH1 1 1 8 4356 1 1 21 ARG NH2 N -6.127 3.814 14.012 1.00 . A A . 21 ARG NH2 1 1 8 4357 1 1 21 ARG O O 0.164 -1.003 16.154 1.00 . A A . 21 ARG O 1 1 8 4358 1 1 22 CYS C C 0.914 1.628 17.031 1.00 . A A . 22 CYS C 1 1 8 4359 1 1 22 CYS CA C 1.110 1.524 15.521 1.00 . A A . 22 CYS CA 1 1 8 4360 1 1 22 CYS CB C 1.296 2.920 14.923 1.00 . A A . 22 CYS CB 1 1 8 4361 1 1 22 CYS H H -0.515 1.311 14.181 1.00 . A A . 22 CYS H 1 1 8 4362 1 1 22 CYS HA H 1.994 0.937 15.325 1.00 . A A . 22 CYS HA 1 1 8 4363 1 1 22 CYS HB2 H 0.480 3.552 15.242 1.00 . A A . 22 CYS HB2 1 1 8 4364 1 1 22 CYS HB3 H 2.227 3.335 15.281 1.00 . A A . 22 CYS HB3 1 1 8 4365 1 1 22 CYS N N -0.022 0.853 14.895 1.00 . A A . 22 CYS N 1 1 8 4366 1 1 22 CYS O O -0.204 1.814 17.510 1.00 . A A . 22 CYS O 1 1 8 4367 1 1 22 CYS SG S 1.338 2.949 13.102 1.00 . A A . 22 CYS SG 1 1 8 4368 1 1 23 GLU C C 1.627 3.005 19.685 1.00 . A A . 23 GLU C 1 1 8 4369 1 1 23 GLU CA C 1.957 1.586 19.229 1.00 . A A . 23 GLU CA 1 1 8 4370 1 1 23 GLU CB C 3.290 1.141 19.835 1.00 . A A . 23 GLU CB 1 1 8 4371 1 1 23 GLU CD C 5.752 1.130 19.268 1.00 . A A . 23 GLU CD 1 1 8 4372 1 1 23 GLU CG C 4.480 1.952 19.349 1.00 . A A . 23 GLU CG 1 1 8 4373 1 1 23 GLU H H 2.873 1.360 17.334 1.00 . A A . 23 GLU H 1 1 8 4374 1 1 23 GLU HA H 1.178 0.921 19.570 1.00 . A A . 23 GLU HA 1 1 8 4375 1 1 23 GLU HB2 H 3.233 1.233 20.909 1.00 . A A . 23 GLU HB2 1 1 8 4376 1 1 23 GLU HB3 H 3.459 0.106 19.580 1.00 . A A . 23 GLU HB3 1 1 8 4377 1 1 23 GLU HG2 H 4.258 2.340 18.366 1.00 . A A . 23 GLU HG2 1 1 8 4378 1 1 23 GLU HG3 H 4.643 2.773 20.031 1.00 . A A . 23 GLU HG3 1 1 8 4379 1 1 23 GLU N N 2.010 1.507 17.774 1.00 . A A . 23 GLU N 1 1 8 4380 1 1 23 GLU O O 1.825 3.968 18.944 1.00 . A A . 23 GLU O 1 1 8 4381 1 1 23 GLU OE1 O 6.347 0.853 20.330 1.00 . A A . 23 GLU OE1 1 1 8 4382 1 1 23 GLU OE2 O 6.152 0.764 18.143 1.00 . A A . 23 GLU OE2 1 1 8 4383 1 1 24 SER C C 1.956 5.372 21.450 1.00 . A A . 24 SER C 1 1 8 4384 1 1 24 SER CA C 0.761 4.424 21.463 1.00 . A A . 24 SER CA 1 1 8 4385 1 1 24 SER CB C 0.237 4.265 22.891 1.00 . A A . 24 SER CB 1 1 8 4386 1 1 24 SER H H 0.989 2.319 21.451 1.00 . A A . 24 SER H 1 1 8 4387 1 1 24 SER HA H -0.021 4.841 20.846 1.00 . A A . 24 SER HA 1 1 8 4388 1 1 24 SER HB2 H 0.625 3.351 23.315 1.00 . A A . 24 SER HB2 1 1 8 4389 1 1 24 SER HB3 H 0.563 5.105 23.487 1.00 . A A . 24 SER HB3 1 1 8 4390 1 1 24 SER HG H -1.535 4.999 22.492 1.00 . A A . 24 SER HG 1 1 8 4391 1 1 24 SER N N 1.123 3.125 20.909 1.00 . A A . 24 SER N 1 1 8 4392 1 1 24 SER O O 2.631 5.552 22.463 1.00 . A A . 24 SER O 1 1 8 4393 1 1 24 SER OG O -1.179 4.213 22.912 1.00 . A A . 24 SER OG 1 1 8 4394 1 1 25 GLY C C 3.828 7.012 18.744 1.00 . A A . 25 GLY C 1 1 8 4395 1 1 25 GLY CA C 3.325 6.899 20.170 1.00 . A A . 25 GLY CA 1 1 8 4396 1 1 25 GLY H H 1.640 5.795 19.519 1.00 . A A . 25 GLY H 1 1 8 4397 1 1 25 GLY HA2 H 3.010 7.875 20.508 1.00 . A A . 25 GLY HA2 1 1 8 4398 1 1 25 GLY HA3 H 4.134 6.556 20.798 1.00 . A A . 25 GLY HA3 1 1 8 4399 1 1 25 GLY N N 2.212 5.977 20.294 1.00 . A A . 25 GLY N 1 1 8 4400 1 1 25 GLY O O 4.418 8.024 18.365 1.00 . A A . 25 GLY O 1 1 8 4401 1 1 26 PHE C C 2.897 6.372 15.631 1.00 . A A . 26 PHE C 1 1 8 4402 1 1 26 PHE CA C 4.033 5.956 16.561 1.00 . A A . 26 PHE CA 1 1 8 4403 1 1 26 PHE CB C 4.537 4.563 16.177 1.00 . A A . 26 PHE CB 1 1 8 4404 1 1 26 PHE CD1 C 6.936 3.827 16.204 1.00 . A A . 26 PHE CD1 1 1 8 4405 1 1 26 PHE CD2 C 5.812 4.103 18.289 1.00 . A A . 26 PHE CD2 1 1 8 4406 1 1 26 PHE CE1 C 8.088 3.453 16.870 1.00 . A A . 26 PHE CE1 1 1 8 4407 1 1 26 PHE CE2 C 6.961 3.730 18.960 1.00 . A A . 26 PHE CE2 1 1 8 4408 1 1 26 PHE CG C 5.787 4.156 16.904 1.00 . A A . 26 PHE CG 1 1 8 4409 1 1 26 PHE CZ C 8.100 3.403 18.250 1.00 . A A . 26 PHE CZ 1 1 8 4410 1 1 26 PHE H H 3.121 5.192 18.313 1.00 . A A . 26 PHE H 1 1 8 4411 1 1 26 PHE HA H 4.842 6.662 16.461 1.00 . A A . 26 PHE HA 1 1 8 4412 1 1 26 PHE HB2 H 3.771 3.836 16.403 1.00 . A A . 26 PHE HB2 1 1 8 4413 1 1 26 PHE HB3 H 4.746 4.543 15.118 1.00 . A A . 26 PHE HB3 1 1 8 4414 1 1 26 PHE HD1 H 6.927 3.865 15.123 1.00 . A A . 26 PHE HD1 1 1 8 4415 1 1 26 PHE HD2 H 4.922 4.357 18.846 1.00 . A A . 26 PHE HD2 1 1 8 4416 1 1 26 PHE HE1 H 8.976 3.198 16.311 1.00 . A A . 26 PHE HE1 1 1 8 4417 1 1 26 PHE HE2 H 6.968 3.692 20.039 1.00 . A A . 26 PHE HE2 1 1 8 4418 1 1 26 PHE HZ H 8.999 3.112 18.772 1.00 . A A . 26 PHE HZ 1 1 8 4419 1 1 26 PHE N N 3.597 5.970 17.952 1.00 . A A . 26 PHE N 1 1 8 4420 1 1 26 PHE O O 1.782 6.643 16.077 1.00 . A A . 26 PHE O 1 1 8 4421 1 1 27 HIS C C 2.275 5.900 12.114 1.00 . A A . 27 HIS C 1 1 8 4422 1 1 27 HIS CA C 2.194 6.804 13.340 1.00 . A A . 27 HIS CA 1 1 8 4423 1 1 27 HIS CB C 2.392 8.263 12.926 1.00 . A A . 27 HIS CB 1 1 8 4424 1 1 27 HIS CD2 C 4.740 8.491 11.849 1.00 . A A . 27 HIS CD2 1 1 8 4425 1 1 27 HIS CE1 C 5.736 9.568 13.478 1.00 . A A . 27 HIS CE1 1 1 8 4426 1 1 27 HIS CG C 3.830 8.670 12.835 1.00 . A A . 27 HIS CG 1 1 8 4427 1 1 27 HIS H H 4.096 6.193 14.041 1.00 . A A . 27 HIS H 1 1 8 4428 1 1 27 HIS HA H 1.218 6.696 13.789 1.00 . A A . 27 HIS HA 1 1 8 4429 1 1 27 HIS HB2 H 1.941 8.419 11.957 1.00 . A A . 27 HIS HB2 1 1 8 4430 1 1 27 HIS HB3 H 1.909 8.904 13.650 1.00 . A A . 27 HIS HB3 1 1 8 4431 1 1 27 HIS HD1 H 4.092 9.626 14.694 1.00 . A A . 27 HIS HD1 1 1 8 4432 1 1 27 HIS HD2 H 4.573 7.994 10.904 1.00 . A A . 27 HIS HD2 1 1 8 4433 1 1 27 HIS HE1 H 6.485 10.079 14.065 1.00 . A A . 27 HIS HE1 1 1 8 4434 1 1 27 HIS N N 3.190 6.421 14.335 1.00 . A A . 27 HIS N 1 1 8 4435 1 1 27 HIS ND1 N 4.486 9.347 13.841 1.00 . A A . 27 HIS ND1 1 1 8 4436 1 1 27 HIS NE2 N 5.917 9.058 12.273 1.00 . A A . 27 HIS NE2 1 1 8 4437 1 1 27 HIS O O 3.361 5.625 11.604 1.00 . A A . 27 HIS O 1 1 8 4438 1 1 28 ASP C C 1.593 5.277 9.242 1.00 . A A . 28 ASP C 1 1 8 4439 1 1 28 ASP CA C 1.058 4.567 10.481 1.00 . A A . 28 ASP CA 1 1 8 4440 1 1 28 ASP CB C -0.379 4.103 10.239 1.00 . A A . 28 ASP CB 1 1 8 4441 1 1 28 ASP CG C -0.561 3.472 8.872 1.00 . A A . 28 ASP CG 1 1 8 4442 1 1 28 ASP H H 0.286 5.695 12.098 1.00 . A A . 28 ASP H 1 1 8 4443 1 1 28 ASP HA H 1.676 3.704 10.681 1.00 . A A . 28 ASP HA 1 1 8 4444 1 1 28 ASP HB2 H -0.647 3.375 10.990 1.00 . A A . 28 ASP HB2 1 1 8 4445 1 1 28 ASP HB3 H -1.042 4.953 10.314 1.00 . A A . 28 ASP HB3 1 1 8 4446 1 1 28 ASP N N 1.119 5.440 11.648 1.00 . A A . 28 ASP N 1 1 8 4447 1 1 28 ASP O O 1.031 6.278 8.796 1.00 . A A . 28 ASP O 1 1 8 4448 1 1 28 ASP OD1 O -1.681 3.552 8.325 1.00 . A A . 28 ASP OD1 1 1 8 4449 1 1 28 ASP OD2 O 0.417 2.898 8.350 1.00 . A A . 28 ASP OD2 1 1 8 4450 1 1 29 CYS C C 3.369 4.319 6.371 1.00 . A A . 29 CYS C 1 1 8 4451 1 1 29 CYS CA C 3.295 5.339 7.503 1.00 . A A . 29 CYS CA 1 1 8 4452 1 1 29 CYS CB C 4.697 5.857 7.830 1.00 . A A . 29 CYS CB 1 1 8 4453 1 1 29 CYS H H 3.086 3.955 9.091 1.00 . A A . 29 CYS H 1 1 8 4454 1 1 29 CYS HA H 2.680 6.167 7.186 1.00 . A A . 29 CYS HA 1 1 8 4455 1 1 29 CYS HB2 H 5.205 6.103 6.909 1.00 . A A . 29 CYS HB2 1 1 8 4456 1 1 29 CYS HB3 H 4.612 6.746 8.437 1.00 . A A . 29 CYS HB3 1 1 8 4457 1 1 29 CYS N N 2.683 4.754 8.690 1.00 . A A . 29 CYS N 1 1 8 4458 1 1 29 CYS O O 4.239 4.398 5.505 1.00 . A A . 29 CYS O 1 1 8 4459 1 1 29 CYS SG S 5.738 4.666 8.733 1.00 . A A . 29 CYS SG 1 1 8 4460 1 1 30 GLY C C 2.369 2.923 3.958 1.00 . A A . 30 GLY C 1 1 8 4461 1 1 30 GLY CA C 2.426 2.338 5.354 1.00 . A A . 30 GLY CA 1 1 8 4462 1 1 30 GLY H H 1.778 3.346 7.100 1.00 . A A . 30 GLY H 1 1 8 4463 1 1 30 GLY HA2 H 3.316 1.733 5.444 1.00 . A A . 30 GLY HA2 1 1 8 4464 1 1 30 GLY HA3 H 1.560 1.710 5.505 1.00 . A A . 30 GLY HA3 1 1 8 4465 1 1 30 GLY N N 2.448 3.360 6.384 1.00 . A A . 30 GLY N 1 1 8 4466 1 1 30 GLY O O 2.586 2.218 2.972 1.00 . A A . 30 GLY O 1 1 8 4467 1 1 31 SER C C 3.119 4.465 1.662 1.00 . A A . 31 SER C 1 1 8 4468 1 1 31 SER CA C 1.983 4.896 2.584 1.00 . A A . 31 SER CA 1 1 8 4469 1 1 31 SER CB C 2.017 6.413 2.781 1.00 . A A . 31 SER CB 1 1 8 4470 1 1 31 SER H H 1.911 4.725 4.694 1.00 . A A . 31 SER H 1 1 8 4471 1 1 31 SER HA H 1.043 4.621 2.130 1.00 . A A . 31 SER HA 1 1 8 4472 1 1 31 SER HB2 H 2.887 6.818 2.286 1.00 . A A . 31 SER HB2 1 1 8 4473 1 1 31 SER HB3 H 1.125 6.848 2.354 1.00 . A A . 31 SER HB3 1 1 8 4474 1 1 31 SER HG H 1.266 7.191 4.414 1.00 . A A . 31 SER HG 1 1 8 4475 1 1 31 SER N N 2.074 4.217 3.872 1.00 . A A . 31 SER N 1 1 8 4476 1 1 31 SER O O 2.909 3.715 0.708 1.00 . A A . 31 SER O 1 1 8 4477 1 1 31 SER OG O 2.077 6.748 4.156 1.00 . A A . 31 SER OG 1 1 8 4478 1 1 32 ASP C C 6.448 3.712 1.930 1.00 . A A . 32 ASP C 1 1 8 4479 1 1 32 ASP CA C 5.494 4.611 1.150 1.00 . A A . 32 ASP CA 1 1 8 4480 1 1 32 ASP CB C 6.218 5.884 0.709 1.00 . A A . 32 ASP CB 1 1 8 4481 1 1 32 ASP CG C 6.156 6.978 1.757 1.00 . A A . 32 ASP CG 1 1 8 4482 1 1 32 ASP H H 4.427 5.540 2.725 1.00 . A A . 32 ASP H 1 1 8 4483 1 1 32 ASP HA H 5.155 4.079 0.274 1.00 . A A . 32 ASP HA 1 1 8 4484 1 1 32 ASP HB2 H 7.256 5.653 0.519 1.00 . A A . 32 ASP HB2 1 1 8 4485 1 1 32 ASP HB3 H 5.763 6.253 -0.198 1.00 . A A . 32 ASP HB3 1 1 8 4486 1 1 32 ASP N N 4.323 4.946 1.952 1.00 . A A . 32 ASP N 1 1 8 4487 1 1 32 ASP O O 7.666 3.790 1.765 1.00 . A A . 32 ASP O 1 1 8 4488 1 1 32 ASP OD1 O 7.223 7.525 2.109 1.00 . A A . 32 ASP OD1 1 1 8 4489 1 1 32 ASP OD2 O 5.041 7.287 2.226 1.00 . A A . 32 ASP OD2 1 1 8 4490 1 1 33 HIS C C 5.931 0.649 3.854 1.00 . A A . 33 HIS C 1 1 8 4491 1 1 33 HIS CA C 6.688 1.947 3.589 1.00 . A A . 33 HIS CA 1 1 8 4492 1 1 33 HIS CB C 7.072 2.606 4.914 1.00 . A A . 33 HIS CB 1 1 8 4493 1 1 33 HIS CD2 C 8.786 4.320 3.992 1.00 . A A . 33 HIS CD2 1 1 8 4494 1 1 33 HIS CE1 C 8.081 6.092 5.073 1.00 . A A . 33 HIS CE1 1 1 8 4495 1 1 33 HIS CG C 7.731 3.941 4.751 1.00 . A A . 33 HIS CG 1 1 8 4496 1 1 33 HIS H H 4.911 2.845 2.870 1.00 . A A . 33 HIS H 1 1 8 4497 1 1 33 HIS HA H 7.587 1.718 3.037 1.00 . A A . 33 HIS HA 1 1 8 4498 1 1 33 HIS HB2 H 6.182 2.747 5.510 1.00 . A A . 33 HIS HB2 1 1 8 4499 1 1 33 HIS HB3 H 7.756 1.960 5.446 1.00 . A A . 33 HIS HB3 1 1 8 4500 1 1 33 HIS HD1 H 6.563 5.124 6.045 1.00 . A A . 33 HIS HD1 1 1 8 4501 1 1 33 HIS HD2 H 9.366 3.686 3.336 1.00 . A A . 33 HIS HD2 1 1 8 4502 1 1 33 HIS HE1 H 7.988 7.105 5.436 1.00 . A A . 33 HIS HE1 1 1 8 4503 1 1 33 HIS N N 5.887 2.860 2.782 1.00 . A A . 33 HIS N 1 1 8 4504 1 1 33 HIS ND1 N 7.313 5.074 5.416 1.00 . A A . 33 HIS ND1 1 1 8 4505 1 1 33 HIS NE2 N 8.983 5.661 4.210 1.00 . A A . 33 HIS NE2 1 1 8 4506 1 1 33 HIS O O 4.877 0.652 4.490 1.00 . A A . 33 HIS O 1 1 8 4507 1 1 34 TRP C C 6.767 -2.702 4.319 1.00 . A A . 34 TRP C 1 1 8 4508 1 1 34 TRP CA C 5.850 -1.763 3.543 1.00 . A A . 34 TRP CA 1 1 8 4509 1 1 34 TRP CB C 5.499 -2.378 2.187 1.00 . A A . 34 TRP CB 1 1 8 4510 1 1 34 TRP CD1 C 6.153 -1.304 -0.046 1.00 . A A . 34 TRP CD1 1 1 8 4511 1 1 34 TRP CD2 C 7.853 -2.273 1.043 1.00 . A A . 34 TRP CD2 1 1 8 4512 1 1 34 TRP CE2 C 8.343 -1.726 -0.159 1.00 . A A . 34 TRP CE2 1 1 8 4513 1 1 34 TRP CE3 C 8.744 -2.932 1.895 1.00 . A A . 34 TRP CE3 1 1 8 4514 1 1 34 TRP CG C 6.451 -1.992 1.096 1.00 . A A . 34 TRP CG 1 1 8 4515 1 1 34 TRP CH2 C 10.532 -2.470 0.325 1.00 . A A . 34 TRP CH2 1 1 8 4516 1 1 34 TRP CZ2 C 9.682 -1.819 -0.528 1.00 . A A . 34 TRP CZ2 1 1 8 4517 1 1 34 TRP CZ3 C 10.073 -3.024 1.527 1.00 . A A . 34 TRP CZ3 1 1 8 4518 1 1 34 TRP H H 7.317 -0.397 2.862 1.00 . A A . 34 TRP H 1 1 8 4519 1 1 34 TRP HA H 4.941 -1.618 4.109 1.00 . A A . 34 TRP HA 1 1 8 4520 1 1 34 TRP HB2 H 5.509 -3.454 2.273 1.00 . A A . 34 TRP HB2 1 1 8 4521 1 1 34 TRP HB3 H 4.509 -2.052 1.898 1.00 . A A . 34 TRP HB3 1 1 8 4522 1 1 34 TRP HD1 H 5.167 -0.949 -0.302 1.00 . A A . 34 TRP HD1 1 1 8 4523 1 1 34 TRP HE1 H 7.331 -0.679 -1.669 1.00 . A A . 34 TRP HE1 1 1 8 4524 1 1 34 TRP HE3 H 8.409 -3.365 2.826 1.00 . A A . 34 TRP HE3 1 1 8 4525 1 1 34 TRP HH2 H 11.578 -2.566 0.078 1.00 . A A . 34 TRP HH2 1 1 8 4526 1 1 34 TRP HZ2 H 10.052 -1.397 -1.451 1.00 . A A . 34 TRP HZ2 1 1 8 4527 1 1 34 TRP HZ3 H 10.775 -3.530 2.173 1.00 . A A . 34 TRP HZ3 1 1 8 4528 1 1 34 TRP N N 6.475 -0.458 3.361 1.00 . A A . 34 TRP N 1 1 8 4529 1 1 34 TRP NE1 N 7.287 -1.141 -0.805 1.00 . A A . 34 TRP NE1 1 1 8 4530 1 1 34 TRP O O 7.928 -2.382 4.574 1.00 . A A . 34 TRP O 1 1 8 4531 1 1 35 CYS C C 7.417 -6.015 4.541 1.00 . A A . 35 CYS C 1 1 8 4532 1 1 35 CYS CA C 7.010 -4.850 5.438 1.00 . A A . 35 CYS CA 1 1 8 4533 1 1 35 CYS CB C 6.200 -5.367 6.628 1.00 . A A . 35 CYS CB 1 1 8 4534 1 1 35 CYS H H 5.307 -4.062 4.458 1.00 . A A . 35 CYS H 1 1 8 4535 1 1 35 CYS HA H 7.903 -4.366 5.805 1.00 . A A . 35 CYS HA 1 1 8 4536 1 1 35 CYS HB2 H 5.161 -5.440 6.342 1.00 . A A . 35 CYS HB2 1 1 8 4537 1 1 35 CYS HB3 H 6.562 -6.347 6.901 1.00 . A A . 35 CYS HB3 1 1 8 4538 1 1 35 CYS N N 6.239 -3.864 4.691 1.00 . A A . 35 CYS N 1 1 8 4539 1 1 35 CYS O O 6.944 -6.137 3.411 1.00 . A A . 35 CYS O 1 1 8 4540 1 1 35 CYS SG S 6.293 -4.308 8.108 1.00 . A A . 35 CYS SG 1 1 8 4541 1 1 36 ASP C C 7.596 -8.789 3.688 1.00 . A A . 36 ASP C 1 1 8 4542 1 1 36 ASP CA C 8.767 -8.026 4.298 1.00 . A A . 36 ASP CA 1 1 8 4543 1 1 36 ASP CB C 9.581 -8.953 5.202 1.00 . A A . 36 ASP CB 1 1 8 4544 1 1 36 ASP CG C 11.050 -8.579 5.242 1.00 . A A . 36 ASP CG 1 1 8 4545 1 1 36 ASP H H 8.638 -6.718 5.959 1.00 . A A . 36 ASP H 1 1 8 4546 1 1 36 ASP HA H 9.401 -7.667 3.502 1.00 . A A . 36 ASP HA 1 1 8 4547 1 1 36 ASP HB2 H 9.189 -8.902 6.207 1.00 . A A . 36 ASP HB2 1 1 8 4548 1 1 36 ASP HB3 H 9.496 -9.966 4.837 1.00 . A A . 36 ASP HB3 1 1 8 4549 1 1 36 ASP N N 8.297 -6.869 5.052 1.00 . A A . 36 ASP N 1 1 8 4550 1 1 36 ASP O O 7.675 -9.265 2.556 1.00 . A A . 36 ASP O 1 1 8 4551 1 1 36 ASP OD1 O 11.618 -8.524 6.353 1.00 . A A . 36 ASP OD1 1 1 8 4552 1 1 36 ASP OD2 O 11.631 -8.344 4.162 1.00 . A A . 36 ASP OD2 1 1 8 4553 1 1 37 ALA C C 4.325 -8.643 3.348 1.00 . A A . 37 ALA C 1 1 8 4554 1 1 37 ALA CA C 5.323 -9.607 3.981 1.00 . A A . 37 ALA CA 1 1 8 4555 1 1 37 ALA CB C 4.673 -10.364 5.130 1.00 . A A . 37 ALA CB 1 1 8 4556 1 1 37 ALA H H 6.508 -8.501 5.341 1.00 . A A . 37 ALA H 1 1 8 4557 1 1 37 ALA HA H 5.632 -10.328 3.237 1.00 . A A . 37 ALA HA 1 1 8 4558 1 1 37 ALA HB1 H 5.413 -10.569 5.889 1.00 . A A . 37 ALA HB1 1 1 8 4559 1 1 37 ALA HB2 H 3.880 -9.764 5.552 1.00 . A A . 37 ALA HB2 1 1 8 4560 1 1 37 ALA HB3 H 4.265 -11.294 4.763 1.00 . A A . 37 ALA HB3 1 1 8 4561 1 1 37 ALA N N 6.510 -8.903 4.447 1.00 . A A . 37 ALA N 1 1 8 4562 1 1 37 ALA O O 3.884 -7.686 3.984 1.00 . A A . 37 ALA O 1 1 8 4563 1 1 38 SER C C 1.696 -7.982 2.103 1.00 . A A . 38 SER C 1 1 8 4564 1 1 38 SER CA C 3.032 -8.053 1.372 1.00 . A A . 38 SER CA 1 1 8 4565 1 1 38 SER CB C 2.822 -8.580 -0.049 1.00 . A A . 38 SER CB 1 1 8 4566 1 1 38 SER H H 4.361 -9.679 1.638 1.00 . A A . 38 SER H 1 1 8 4567 1 1 38 SER HA H 3.454 -7.060 1.319 1.00 . A A . 38 SER HA 1 1 8 4568 1 1 38 SER HB2 H 3.637 -8.253 -0.676 1.00 . A A . 38 SER HB2 1 1 8 4569 1 1 38 SER HB3 H 2.794 -9.660 -0.029 1.00 . A A . 38 SER HB3 1 1 8 4570 1 1 38 SER HG H 1.109 -8.836 -0.965 1.00 . A A . 38 SER HG 1 1 8 4571 1 1 38 SER N N 3.975 -8.901 2.092 1.00 . A A . 38 SER N 1 1 8 4572 1 1 38 SER O O 0.732 -8.646 1.724 1.00 . A A . 38 SER O 1 1 8 4573 1 1 38 SER OG O 1.605 -8.102 -0.595 1.00 . A A . 38 SER OG 1 1 8 4574 1 1 39 GLY C C 0.635 -6.250 5.209 1.00 . A A . 39 GLY C 1 1 8 4575 1 1 39 GLY CA C 0.424 -7.029 3.926 1.00 . A A . 39 GLY CA 1 1 8 4576 1 1 39 GLY H H 2.446 -6.667 3.413 1.00 . A A . 39 GLY H 1 1 8 4577 1 1 39 GLY HA2 H -0.310 -6.517 3.323 1.00 . A A . 39 GLY HA2 1 1 8 4578 1 1 39 GLY HA3 H 0.051 -8.012 4.173 1.00 . A A . 39 GLY HA3 1 1 8 4579 1 1 39 GLY N N 1.646 -7.172 3.157 1.00 . A A . 39 GLY N 1 1 8 4580 1 1 39 GLY O O -0.309 -5.685 5.762 1.00 . A A . 39 GLY O 1 1 8 4581 1 1 40 ASP C C 2.614 -4.068 6.610 1.00 . A A . 40 ASP C 1 1 8 4582 1 1 40 ASP CA C 2.206 -5.507 6.912 1.00 . A A . 40 ASP CA 1 1 8 4583 1 1 40 ASP CB C 3.334 -6.224 7.656 1.00 . A A . 40 ASP CB 1 1 8 4584 1 1 40 ASP CG C 2.814 -7.218 8.676 1.00 . A A . 40 ASP CG 1 1 8 4585 1 1 40 ASP H H 2.584 -6.692 5.199 1.00 . A A . 40 ASP H 1 1 8 4586 1 1 40 ASP HA H 1.326 -5.494 7.537 1.00 . A A . 40 ASP HA 1 1 8 4587 1 1 40 ASP HB2 H 3.947 -6.755 6.943 1.00 . A A . 40 ASP HB2 1 1 8 4588 1 1 40 ASP HB3 H 3.940 -5.492 8.170 1.00 . A A . 40 ASP HB3 1 1 8 4589 1 1 40 ASP N N 1.875 -6.221 5.685 1.00 . A A . 40 ASP N 1 1 8 4590 1 1 40 ASP O O 3.436 -3.818 5.729 1.00 . A A . 40 ASP O 1 1 8 4591 1 1 40 ASP OD1 O 1.648 -7.646 8.547 1.00 . A A . 40 ASP OD1 1 1 8 4592 1 1 40 ASP OD2 O 3.574 -7.569 9.602 1.00 . A A . 40 ASP OD2 1 1 8 4593 1 1 41 ARG C C 3.406 -1.248 8.135 1.00 . A A . 41 ARG C 1 1 8 4594 1 1 41 ARG CA C 2.333 -1.713 7.155 1.00 . A A . 41 ARG CA 1 1 8 4595 1 1 41 ARG CB C 1.068 -0.872 7.331 1.00 . A A . 41 ARG CB 1 1 8 4596 1 1 41 ARG CD C -1.378 -0.836 7.910 1.00 . A A . 41 ARG CD 1 1 8 4597 1 1 41 ARG CG C -0.082 -1.629 7.976 1.00 . A A . 41 ARG CG 1 1 8 4598 1 1 41 ARG CZ C -1.781 -0.003 10.188 1.00 . A A . 41 ARG CZ 1 1 8 4599 1 1 41 ARG H H 1.385 -3.388 8.033 1.00 . A A . 41 ARG H 1 1 8 4600 1 1 41 ARG HA H 2.702 -1.585 6.148 1.00 . A A . 41 ARG HA 1 1 8 4601 1 1 41 ARG HB2 H 1.300 -0.018 7.951 1.00 . A A . 41 ARG HB2 1 1 8 4602 1 1 41 ARG HB3 H 0.743 -0.525 6.362 1.00 . A A . 41 ARG HB3 1 1 8 4603 1 1 41 ARG HD2 H -1.148 0.181 7.631 1.00 . A A . 41 ARG HD2 1 1 8 4604 1 1 41 ARG HD3 H -2.017 -1.279 7.162 1.00 . A A . 41 ARG HD3 1 1 8 4605 1 1 41 ARG HE H -2.810 -1.470 9.312 1.00 . A A . 41 ARG HE 1 1 8 4606 1 1 41 ARG HG2 H -0.220 -2.566 7.457 1.00 . A A . 41 ARG HG2 1 1 8 4607 1 1 41 ARG HG3 H 0.162 -1.820 9.011 1.00 . A A . 41 ARG HG3 1 1 8 4608 1 1 41 ARG HH11 H -0.280 0.920 9.199 1.00 . A A . 41 ARG HH11 1 1 8 4609 1 1 41 ARG HH12 H -0.575 1.497 10.805 1.00 . A A . 41 ARG HH12 1 1 8 4610 1 1 41 ARG HH21 H -3.208 -0.718 11.429 1.00 . A A . 41 ARG HH21 1 1 8 4611 1 1 41 ARG HH22 H -2.240 0.565 12.073 1.00 . A A . 41 ARG HH22 1 1 8 4612 1 1 41 ARG N N 2.032 -3.126 7.346 1.00 . A A . 41 ARG N 1 1 8 4613 1 1 41 ARG NE N -2.080 -0.828 9.191 1.00 . A A . 41 ARG NE 1 1 8 4614 1 1 41 ARG NH1 N -0.798 0.876 10.053 1.00 . A A . 41 ARG NH1 1 1 8 4615 1 1 41 ARG NH2 N -2.466 -0.056 11.323 1.00 . A A . 41 ARG NH2 1 1 8 4616 1 1 41 ARG O O 3.347 -1.551 9.327 1.00 . A A . 41 ARG O 1 1 8 4617 1 1 42 CYS C C 5.039 1.243 9.219 1.00 . A A . 42 CYS C 1 1 8 4618 1 1 42 CYS CA C 5.474 -0.004 8.453 1.00 . A A . 42 CYS CA 1 1 8 4619 1 1 42 CYS CB C 6.696 0.315 7.589 1.00 . A A . 42 CYS CB 1 1 8 4620 1 1 42 CYS H H 4.379 -0.301 6.666 1.00 . A A . 42 CYS H 1 1 8 4621 1 1 42 CYS HA H 5.737 -0.773 9.163 1.00 . A A . 42 CYS HA 1 1 8 4622 1 1 42 CYS HB2 H 6.364 0.739 6.652 1.00 . A A . 42 CYS HB2 1 1 8 4623 1 1 42 CYS HB3 H 7.313 1.036 8.105 1.00 . A A . 42 CYS HB3 1 1 8 4624 1 1 42 CYS N N 4.387 -0.510 7.625 1.00 . A A . 42 CYS N 1 1 8 4625 1 1 42 CYS O O 4.518 2.193 8.635 1.00 . A A . 42 CYS O 1 1 8 4626 1 1 42 CYS SG S 7.733 -1.132 7.205 1.00 . A A . 42 CYS SG 1 1 8 4627 1 1 43 CYS C C 6.114 3.199 11.727 1.00 . A A . 43 CYS C 1 1 8 4628 1 1 43 CYS CA C 4.889 2.359 11.377 1.00 . A A . 43 CYS CA 1 1 8 4629 1 1 43 CYS CB C 4.214 1.863 12.657 1.00 . A A . 43 CYS CB 1 1 8 4630 1 1 43 CYS H H 5.677 0.444 10.938 1.00 . A A . 43 CYS H 1 1 8 4631 1 1 43 CYS HA H 4.192 2.973 10.827 1.00 . A A . 43 CYS HA 1 1 8 4632 1 1 43 CYS HB2 H 4.729 0.981 13.008 1.00 . A A . 43 CYS HB2 1 1 8 4633 1 1 43 CYS HB3 H 4.278 2.634 13.410 1.00 . A A . 43 CYS HB3 1 1 8 4634 1 1 43 CYS N N 5.258 1.231 10.530 1.00 . A A . 43 CYS N 1 1 8 4635 1 1 43 CYS O O 7.168 2.666 12.075 1.00 . A A . 43 CYS O 1 1 8 4636 1 1 43 CYS SG S 2.456 1.432 12.451 1.00 . A A . 43 CYS SG 1 1 8 4637 1 1 44 CYS C C 6.781 6.200 13.227 1.00 . A A . 44 CYS C 1 1 8 4638 1 1 44 CYS CA C 7.060 5.432 11.939 1.00 . A A . 44 CYS CA 1 1 8 4639 1 1 44 CYS CB C 7.271 6.412 10.783 1.00 . A A . 44 CYS CB 1 1 8 4640 1 1 44 CYS H H 5.103 4.883 11.349 1.00 . A A . 44 CYS H 1 1 8 4641 1 1 44 CYS HA H 7.957 4.846 12.070 1.00 . A A . 44 CYS HA 1 1 8 4642 1 1 44 CYS HB2 H 6.413 7.066 10.715 1.00 . A A . 44 CYS HB2 1 1 8 4643 1 1 44 CYS HB3 H 8.153 7.004 10.979 1.00 . A A . 44 CYS HB3 1 1 8 4644 1 1 44 CYS N N 5.968 4.517 11.632 1.00 . A A . 44 CYS N 1 1 8 4645 1 1 44 CYS O O 5.684 6.721 13.427 1.00 . A A . 44 CYS O 1 1 8 4646 1 1 44 CYS SG S 7.487 5.614 9.160 1.00 . A A . 44 CYS SG 1 1 8 4647 1 1 45 ALA C C 7.783 8.478 15.174 1.00 . A A . 45 ALA C 1 1 8 4648 1 1 45 ALA CA C 7.647 6.972 15.367 1.00 . A A . 45 ALA CA 1 1 8 4649 1 1 45 ALA CB C 8.681 6.470 16.364 1.00 . A A . 45 ALA CB 1 1 8 4650 1 1 45 ALA H H 8.633 5.830 13.883 1.00 . A A . 45 ALA H 1 1 8 4651 1 1 45 ALA HA H 6.665 6.757 15.765 1.00 . A A . 45 ALA HA 1 1 8 4652 1 1 45 ALA HB1 H 8.984 5.469 16.093 1.00 . A A . 45 ALA HB1 1 1 8 4653 1 1 45 ALA HB2 H 9.540 7.123 16.350 1.00 . A A . 45 ALA HB2 1 1 8 4654 1 1 45 ALA HB3 H 8.251 6.460 17.354 1.00 . A A . 45 ALA HB3 1 1 8 4655 1 1 45 ALA N N 7.783 6.266 14.099 1.00 . A A . 45 ALA N 1 1 8 4656 1 1 45 ALA O O 7.542 9.256 16.098 1.00 . A A . 45 ALA O 1 1 9 4657 1 1 1 CYS C C 2.645 -1.386 -1.457 1.00 . A A . 1 CYS C 1 1 9 4658 1 1 1 CYS CA C 1.985 -0.034 -1.199 1.00 . A A . 1 CYS CA 1 1 9 4659 1 1 1 CYS CB C 3.050 1.064 -1.151 1.00 . A A . 1 CYS CB 1 1 9 4660 1 1 1 CYS HA H 1.299 0.178 -2.005 1.00 . A A . 1 CYS HA 1 1 9 4661 1 1 1 CYS HB2 H 3.808 0.853 -1.892 1.00 . A A . 1 CYS HB2 1 1 9 4662 1 1 1 CYS HB3 H 2.587 2.014 -1.378 1.00 . A A . 1 CYS HB3 1 1 9 4663 1 1 1 CYS N N 1.224 -0.055 0.044 1.00 . A A . 1 CYS N 1 1 9 4664 1 1 1 CYS O O 2.840 -2.178 -0.536 1.00 . A A . 1 CYS O 1 1 9 4665 1 1 1 CYS SG S 3.882 1.223 0.462 1.00 . A A . 1 CYS SG 1 1 9 4666 1 1 2 TYR C C 5.130 -2.831 -2.882 1.00 . A A . 2 TYR C 1 1 9 4667 1 1 2 TYR CA C 3.620 -2.897 -3.095 1.00 . A A . 2 TYR CA 1 1 9 4668 1 1 2 TYR CB C 3.315 -3.225 -4.558 1.00 . A A . 2 TYR CB 1 1 9 4669 1 1 2 TYR CD1 C 3.035 -5.423 -5.770 1.00 . A A . 2 TYR CD1 1 1 9 4670 1 1 2 TYR CD2 C 1.611 -4.974 -3.911 1.00 . A A . 2 TYR CD2 1 1 9 4671 1 1 2 TYR CE1 C 2.422 -6.648 -5.949 1.00 . A A . 2 TYR CE1 1 1 9 4672 1 1 2 TYR CE2 C 0.994 -6.198 -4.082 1.00 . A A . 2 TYR CE2 1 1 9 4673 1 1 2 TYR CG C 2.641 -4.566 -4.749 1.00 . A A . 2 TYR CG 1 1 9 4674 1 1 2 TYR CZ C 1.403 -7.031 -5.103 1.00 . A A . 2 TYR CZ 1 1 9 4675 1 1 2 TYR H H 2.803 -0.970 -3.406 1.00 . A A . 2 TYR H 1 1 9 4676 1 1 2 TYR HA H 3.214 -3.677 -2.469 1.00 . A A . 2 TYR HA 1 1 9 4677 1 1 2 TYR HB2 H 2.662 -2.467 -4.961 1.00 . A A . 2 TYR HB2 1 1 9 4678 1 1 2 TYR HB3 H 4.238 -3.235 -5.118 1.00 . A A . 2 TYR HB3 1 1 9 4679 1 1 2 TYR HD1 H 3.834 -5.120 -6.431 1.00 . A A . 2 TYR HD1 1 1 9 4680 1 1 2 TYR HD2 H 1.293 -4.319 -3.113 1.00 . A A . 2 TYR HD2 1 1 9 4681 1 1 2 TYR HE1 H 2.742 -7.301 -6.748 1.00 . A A . 2 TYR HE1 1 1 9 4682 1 1 2 TYR HE2 H 0.195 -6.498 -3.420 1.00 . A A . 2 TYR HE2 1 1 9 4683 1 1 2 TYR HH H 1.073 -8.635 -6.110 1.00 . A A . 2 TYR HH 1 1 9 4684 1 1 2 TYR N N 2.985 -1.641 -2.715 1.00 . A A . 2 TYR N 1 1 9 4685 1 1 2 TYR O O 5.737 -1.760 -2.892 1.00 . A A . 2 TYR O 1 1 9 4686 1 1 2 TYR OH O 0.789 -8.251 -5.277 1.00 . A A . 2 TYR OH 1 1 9 4687 1 1 3 PRO C C 7.997 -3.782 -3.723 1.00 . A A . 3 PRO C 1 1 9 4688 1 1 3 PRO CA C 7.196 -4.107 -2.467 1.00 . A A . 3 PRO CA 1 1 9 4689 1 1 3 PRO CB C 7.391 -5.573 -2.072 1.00 . A A . 3 PRO CB 1 1 9 4690 1 1 3 PRO CD C 5.088 -5.318 -2.661 1.00 . A A . 3 PRO CD 1 1 9 4691 1 1 3 PRO CG C 6.238 -6.287 -2.687 1.00 . A A . 3 PRO CG 1 1 9 4692 1 1 3 PRO HA H 7.522 -3.468 -1.659 1.00 . A A . 3 PRO HA 1 1 9 4693 1 1 3 PRO HB2 H 8.333 -5.931 -2.462 1.00 . A A . 3 PRO HB2 1 1 9 4694 1 1 3 PRO HB3 H 7.383 -5.664 -0.996 1.00 . A A . 3 PRO HB3 1 1 9 4695 1 1 3 PRO HD2 H 4.463 -5.451 -3.531 1.00 . A A . 3 PRO HD2 1 1 9 4696 1 1 3 PRO HD3 H 4.511 -5.442 -1.756 1.00 . A A . 3 PRO HD3 1 1 9 4697 1 1 3 PRO HG2 H 6.475 -6.560 -3.704 1.00 . A A . 3 PRO HG2 1 1 9 4698 1 1 3 PRO HG3 H 6.000 -7.167 -2.107 1.00 . A A . 3 PRO HG3 1 1 9 4699 1 1 3 PRO N N 5.750 -4.003 -2.685 1.00 . A A . 3 PRO N 1 1 9 4700 1 1 3 PRO O O 8.441 -4.680 -4.437 1.00 . A A . 3 PRO O 1 1 9 4701 1 1 4 GLY C C 8.192 -1.023 -5.970 1.00 . A A . 4 GLY C 1 1 9 4702 1 1 4 GLY CA C 8.926 -2.072 -5.158 1.00 . A A . 4 GLY CA 1 1 9 4703 1 1 4 GLY H H 7.801 -1.819 -3.383 1.00 . A A . 4 GLY H 1 1 9 4704 1 1 4 GLY HA2 H 9.875 -1.667 -4.840 1.00 . A A . 4 GLY HA2 1 1 9 4705 1 1 4 GLY HA3 H 9.106 -2.934 -5.784 1.00 . A A . 4 GLY HA3 1 1 9 4706 1 1 4 GLY N N 8.178 -2.492 -3.988 1.00 . A A . 4 GLY N 1 1 9 4707 1 1 4 GLY O O 8.557 -0.746 -7.112 1.00 . A A . 4 GLY O 1 1 9 4708 1 1 5 GLN C C 7.112 1.911 -6.091 1.00 . A A . 5 GLN C 1 1 9 4709 1 1 5 GLN CA C 6.365 0.582 -6.057 1.00 . A A . 5 GLN CA 1 1 9 4710 1 1 5 GLN CB C 5.015 0.760 -5.361 1.00 . A A . 5 GLN CB 1 1 9 4711 1 1 5 GLN CD C 2.655 -0.134 -5.484 1.00 . A A . 5 GLN CD 1 1 9 4712 1 1 5 GLN CG C 4.131 -0.475 -5.424 1.00 . A A . 5 GLN CG 1 1 9 4713 1 1 5 GLN H H 6.912 -0.704 -4.468 1.00 . A A . 5 GLN H 1 1 9 4714 1 1 5 GLN HA H 6.196 0.252 -7.071 1.00 . A A . 5 GLN HA 1 1 9 4715 1 1 5 GLN HB2 H 5.188 1.001 -4.323 1.00 . A A . 5 GLN HB2 1 1 9 4716 1 1 5 GLN HB3 H 4.487 1.578 -5.829 1.00 . A A . 5 GLN HB3 1 1 9 4717 1 1 5 GLN HE21 H 2.523 -0.919 -7.306 1.00 . A A . 5 GLN HE21 1 1 9 4718 1 1 5 GLN HE22 H 1.059 -0.264 -6.663 1.00 . A A . 5 GLN HE22 1 1 9 4719 1 1 5 GLN HG2 H 4.389 -1.043 -6.305 1.00 . A A . 5 GLN HG2 1 1 9 4720 1 1 5 GLN HG3 H 4.311 -1.076 -4.545 1.00 . A A . 5 GLN HG3 1 1 9 4721 1 1 5 GLN N N 7.153 -0.440 -5.380 1.00 . A A . 5 GLN N 1 1 9 4722 1 1 5 GLN NE2 N 2.014 -0.472 -6.597 1.00 . A A . 5 GLN NE2 1 1 9 4723 1 1 5 GLN O O 7.986 2.182 -5.267 1.00 . A A . 5 GLN O 1 1 9 4724 1 1 5 GLN OE1 O 2.097 0.429 -4.542 1.00 . A A . 5 GLN OE1 1 1 9 4725 1 1 6 PRO C C 7.005 5.045 -6.117 1.00 . A A . 6 PRO C 1 1 9 4726 1 1 6 PRO CA C 7.388 4.078 -7.232 1.00 . A A . 6 PRO CA 1 1 9 4727 1 1 6 PRO CB C 6.839 4.566 -8.575 1.00 . A A . 6 PRO CB 1 1 9 4728 1 1 6 PRO CD C 5.729 2.506 -8.085 1.00 . A A . 6 PRO CD 1 1 9 4729 1 1 6 PRO CG C 5.544 3.847 -8.739 1.00 . A A . 6 PRO CG 1 1 9 4730 1 1 6 PRO HA H 8.464 4.002 -7.288 1.00 . A A . 6 PRO HA 1 1 9 4731 1 1 6 PRO HB2 H 6.696 5.637 -8.541 1.00 . A A . 6 PRO HB2 1 1 9 4732 1 1 6 PRO HB3 H 7.531 4.315 -9.364 1.00 . A A . 6 PRO HB3 1 1 9 4733 1 1 6 PRO HD2 H 4.808 2.180 -7.625 1.00 . A A . 6 PRO HD2 1 1 9 4734 1 1 6 PRO HD3 H 6.071 1.779 -8.806 1.00 . A A . 6 PRO HD3 1 1 9 4735 1 1 6 PRO HG2 H 4.754 4.397 -8.250 1.00 . A A . 6 PRO HG2 1 1 9 4736 1 1 6 PRO HG3 H 5.323 3.724 -9.789 1.00 . A A . 6 PRO HG3 1 1 9 4737 1 1 6 PRO N N 6.762 2.762 -7.067 1.00 . A A . 6 PRO N 1 1 9 4738 1 1 6 PRO O O 6.001 5.750 -6.211 1.00 . A A . 6 PRO O 1 1 9 4739 1 1 7 GLY C C 7.613 5.246 -2.609 1.00 . A A . 7 GLY C 1 1 9 4740 1 1 7 GLY CA C 7.542 5.960 -3.945 1.00 . A A . 7 GLY CA 1 1 9 4741 1 1 7 GLY H H 8.600 4.491 -5.042 1.00 . A A . 7 GLY H 1 1 9 4742 1 1 7 GLY HA2 H 8.265 6.762 -3.951 1.00 . A A . 7 GLY HA2 1 1 9 4743 1 1 7 GLY HA3 H 6.554 6.379 -4.064 1.00 . A A . 7 GLY HA3 1 1 9 4744 1 1 7 GLY N N 7.813 5.075 -5.062 1.00 . A A . 7 GLY N 1 1 9 4745 1 1 7 GLY O O 7.916 5.858 -1.585 1.00 . A A . 7 GLY O 1 1 9 4746 1 1 8 CYS C C 8.701 2.438 -1.248 1.00 . A A . 8 CYS C 1 1 9 4747 1 1 8 CYS CA C 7.360 3.149 -1.399 1.00 . A A . 8 CYS CA 1 1 9 4748 1 1 8 CYS CB C 6.224 2.124 -1.408 1.00 . A A . 8 CYS CB 1 1 9 4749 1 1 8 CYS H H 7.094 3.516 -3.467 1.00 . A A . 8 CYS H 1 1 9 4750 1 1 8 CYS HA H 7.224 3.817 -0.562 1.00 . A A . 8 CYS HA 1 1 9 4751 1 1 8 CYS HB2 H 5.332 2.590 -1.801 1.00 . A A . 8 CYS HB2 1 1 9 4752 1 1 8 CYS HB3 H 6.502 1.296 -2.043 1.00 . A A . 8 CYS HB3 1 1 9 4753 1 1 8 CYS N N 7.329 3.948 -2.619 1.00 . A A . 8 CYS N 1 1 9 4754 1 1 8 CYS O O 9.511 2.415 -2.173 1.00 . A A . 8 CYS O 1 1 9 4755 1 1 8 CYS SG S 5.817 1.451 0.235 1.00 . A A . 8 CYS SG 1 1 9 4756 1 1 9 GLY C C 10.262 0.624 1.596 1.00 . A A . 9 GLY C 1 1 9 4757 1 1 9 GLY CA C 10.171 1.152 0.178 1.00 . A A . 9 GLY CA 1 1 9 4758 1 1 9 GLY H H 8.245 1.907 0.628 1.00 . A A . 9 GLY H 1 1 9 4759 1 1 9 GLY HA2 H 10.248 0.323 -0.510 1.00 . A A . 9 GLY HA2 1 1 9 4760 1 1 9 GLY HA3 H 10.996 1.828 0.005 1.00 . A A . 9 GLY HA3 1 1 9 4761 1 1 9 GLY N N 8.927 1.857 -0.074 1.00 . A A . 9 GLY N 1 1 9 4762 1 1 9 GLY O O 9.338 0.797 2.391 1.00 . A A . 9 GLY O 1 1 9 4763 1 1 10 HIS C C 11.741 0.529 4.280 1.00 . A A . 10 HIS C 1 1 9 4764 1 1 10 HIS CA C 11.585 -0.582 3.246 1.00 . A A . 10 HIS CA 1 1 9 4765 1 1 10 HIS CB C 12.820 -1.483 3.258 1.00 . A A . 10 HIS CB 1 1 9 4766 1 1 10 HIS CD2 C 12.500 -3.666 4.622 1.00 . A A . 10 HIS CD2 1 1 9 4767 1 1 10 HIS CE1 C 13.352 -2.983 6.524 1.00 . A A . 10 HIS CE1 1 1 9 4768 1 1 10 HIS CG C 12.893 -2.382 4.454 1.00 . A A . 10 HIS CG 1 1 9 4769 1 1 10 HIS H H 12.078 -0.131 1.237 1.00 . A A . 10 HIS H 1 1 9 4770 1 1 10 HIS HA H 10.717 -1.172 3.497 1.00 . A A . 10 HIS HA 1 1 9 4771 1 1 10 HIS HB2 H 12.811 -2.106 2.376 1.00 . A A . 10 HIS HB2 1 1 9 4772 1 1 10 HIS HB3 H 13.707 -0.867 3.250 1.00 . A A . 10 HIS HB3 1 1 9 4773 1 1 10 HIS HD1 H 13.794 -1.099 5.862 1.00 . A A . 10 HIS HD1 1 1 9 4774 1 1 10 HIS HD2 H 12.039 -4.299 3.877 1.00 . A A . 10 HIS HD2 1 1 9 4775 1 1 10 HIS HE1 H 13.691 -2.961 7.549 1.00 . A A . 10 HIS HE1 1 1 9 4776 1 1 10 HIS N N 11.378 -0.025 1.914 1.00 . A A . 10 HIS N 1 1 9 4777 1 1 10 HIS ND1 N 13.422 -1.983 5.664 1.00 . A A . 10 HIS ND1 1 1 9 4778 1 1 10 HIS NE2 N 12.796 -4.016 5.917 1.00 . A A . 10 HIS NE2 1 1 9 4779 1 1 10 HIS O O 12.629 1.374 4.171 1.00 . A A . 10 HIS O 1 1 9 4780 1 1 11 CYS C C 12.208 1.431 7.135 1.00 . A A . 11 CYS C 1 1 9 4781 1 1 11 CYS CA C 10.910 1.527 6.339 1.00 . A A . 11 CYS CA 1 1 9 4782 1 1 11 CYS CB C 9.711 1.363 7.275 1.00 . A A . 11 CYS CB 1 1 9 4783 1 1 11 CYS H H 10.184 -0.179 5.318 1.00 . A A . 11 CYS H 1 1 9 4784 1 1 11 CYS HA H 10.860 2.499 5.872 1.00 . A A . 11 CYS HA 1 1 9 4785 1 1 11 CYS HB2 H 9.664 2.213 7.940 1.00 . A A . 11 CYS HB2 1 1 9 4786 1 1 11 CYS HB3 H 8.807 1.323 6.686 1.00 . A A . 11 CYS HB3 1 1 9 4787 1 1 11 CYS N N 10.870 0.521 5.285 1.00 . A A . 11 CYS N 1 1 9 4788 1 1 11 CYS O O 12.957 0.463 7.005 1.00 . A A . 11 CYS O 1 1 9 4789 1 1 11 CYS SG S 9.771 -0.140 8.302 1.00 . A A . 11 CYS SG 1 1 9 4790 1 1 12 SER C C 13.463 3.313 10.029 1.00 . A A . 12 SER C 1 1 9 4791 1 1 12 SER CA C 13.676 2.472 8.774 1.00 . A A . 12 SER CA 1 1 9 4792 1 1 12 SER CB C 14.848 3.031 7.965 1.00 . A A . 12 SER CB 1 1 9 4793 1 1 12 SER H H 11.831 3.185 8.018 1.00 . A A . 12 SER H 1 1 9 4794 1 1 12 SER HA H 13.903 1.459 9.068 1.00 . A A . 12 SER HA 1 1 9 4795 1 1 12 SER HB2 H 14.988 2.432 7.078 1.00 . A A . 12 SER HB2 1 1 9 4796 1 1 12 SER HB3 H 14.631 4.051 7.679 1.00 . A A . 12 SER HB3 1 1 9 4797 1 1 12 SER HG H 16.524 2.202 8.545 1.00 . A A . 12 SER HG 1 1 9 4798 1 1 12 SER N N 12.467 2.441 7.959 1.00 . A A . 12 SER N 1 1 9 4799 1 1 12 SER O O 12.715 4.291 10.015 1.00 . A A . 12 SER O 1 1 9 4800 1 1 12 SER OG O 16.045 3.014 8.722 1.00 . A A . 12 SER OG 1 1 9 4801 1 1 13 ARG C C 13.973 5.148 12.148 1.00 . A A . 13 ARG C 1 1 9 4802 1 1 13 ARG CA C 14.009 3.640 12.378 1.00 . A A . 13 ARG CA 1 1 9 4803 1 1 13 ARG CB C 15.176 3.282 13.301 1.00 . A A . 13 ARG CB 1 1 9 4804 1 1 13 ARG CD C 14.206 1.863 15.135 1.00 . A A . 13 ARG CD 1 1 9 4805 1 1 13 ARG CG C 15.080 1.884 13.890 1.00 . A A . 13 ARG CG 1 1 9 4806 1 1 13 ARG CZ C 14.895 -0.231 16.223 1.00 . A A . 13 ARG CZ 1 1 9 4807 1 1 13 ARG H H 14.707 2.136 11.062 1.00 . A A . 13 ARG H 1 1 9 4808 1 1 13 ARG HA H 13.085 3.337 12.847 1.00 . A A . 13 ARG HA 1 1 9 4809 1 1 13 ARG HB2 H 16.097 3.350 12.740 1.00 . A A . 13 ARG HB2 1 1 9 4810 1 1 13 ARG HB3 H 15.206 3.991 14.114 1.00 . A A . 13 ARG HB3 1 1 9 4811 1 1 13 ARG HD2 H 14.054 2.879 15.468 1.00 . A A . 13 ARG HD2 1 1 9 4812 1 1 13 ARG HD3 H 13.254 1.421 14.882 1.00 . A A . 13 ARG HD3 1 1 9 4813 1 1 13 ARG HE H 15.181 1.593 16.977 1.00 . A A . 13 ARG HE 1 1 9 4814 1 1 13 ARG HG2 H 14.652 1.221 13.152 1.00 . A A . 13 ARG HG2 1 1 9 4815 1 1 13 ARG HG3 H 16.071 1.545 14.150 1.00 . A A . 13 ARG HG3 1 1 9 4816 1 1 13 ARG HH11 H 13.980 -0.462 14.437 1.00 . A A . 13 ARG HH11 1 1 9 4817 1 1 13 ARG HH12 H 14.471 -1.930 15.214 1.00 . A A . 13 ARG HH12 1 1 9 4818 1 1 13 ARG HH21 H 15.832 -0.333 18.011 1.00 . A A . 13 ARG HH21 1 1 9 4819 1 1 13 ARG HH22 H 15.523 -1.856 17.248 1.00 . A A . 13 ARG HH22 1 1 9 4820 1 1 13 ARG N N 14.126 2.924 11.113 1.00 . A A . 13 ARG N 1 1 9 4821 1 1 13 ARG NE N 14.815 1.095 16.217 1.00 . A A . 13 ARG NE 1 1 9 4822 1 1 13 ARG NH1 N 14.408 -0.932 15.208 1.00 . A A . 13 ARG NH1 1 1 9 4823 1 1 13 ARG NH2 N 15.464 -0.858 17.244 1.00 . A A . 13 ARG NH2 1 1 9 4824 1 1 13 ARG O O 14.604 5.676 11.232 1.00 . A A . 13 ARG O 1 1 9 4825 1 1 14 PRO C C 11.287 4.410 13.587 1.00 . A A . 14 PRO C 1 1 9 4826 1 1 14 PRO CA C 12.461 5.241 14.091 1.00 . A A . 14 PRO CA 1 1 9 4827 1 1 14 PRO CB C 11.960 6.441 14.898 1.00 . A A . 14 PRO CB 1 1 9 4828 1 1 14 PRO CD C 13.041 7.320 12.956 1.00 . A A . 14 PRO CD 1 1 9 4829 1 1 14 PRO CG C 11.912 7.563 13.919 1.00 . A A . 14 PRO CG 1 1 9 4830 1 1 14 PRO HA H 13.095 4.626 14.713 1.00 . A A . 14 PRO HA 1 1 9 4831 1 1 14 PRO HB2 H 10.980 6.224 15.300 1.00 . A A . 14 PRO HB2 1 1 9 4832 1 1 14 PRO HB3 H 12.647 6.650 15.704 1.00 . A A . 14 PRO HB3 1 1 9 4833 1 1 14 PRO HD2 H 12.768 7.647 11.963 1.00 . A A . 14 PRO HD2 1 1 9 4834 1 1 14 PRO HD3 H 13.936 7.825 13.288 1.00 . A A . 14 PRO HD3 1 1 9 4835 1 1 14 PRO HG2 H 10.967 7.555 13.398 1.00 . A A . 14 PRO HG2 1 1 9 4836 1 1 14 PRO HG3 H 12.052 8.503 14.431 1.00 . A A . 14 PRO HG3 1 1 9 4837 1 1 14 PRO N N 13.217 5.859 12.997 1.00 . A A . 14 PRO N 1 1 9 4838 1 1 14 PRO O O 10.403 4.036 14.357 1.00 . A A . 14 PRO O 1 1 9 4839 1 1 15 ASN C C 10.494 1.842 11.828 1.00 . A A . 15 ASN C 1 1 9 4840 1 1 15 ASN CA C 10.217 3.335 11.682 1.00 . A A . 15 ASN CA 1 1 9 4841 1 1 15 ASN CB C 10.067 3.696 10.203 1.00 . A A . 15 ASN CB 1 1 9 4842 1 1 15 ASN CG C 10.351 5.161 9.933 1.00 . A A . 15 ASN CG 1 1 9 4843 1 1 15 ASN H H 12.017 4.449 11.726 1.00 . A A . 15 ASN H 1 1 9 4844 1 1 15 ASN HA H 9.298 3.571 12.196 1.00 . A A . 15 ASN HA 1 1 9 4845 1 1 15 ASN HB2 H 10.759 3.103 9.622 1.00 . A A . 15 ASN HB2 1 1 9 4846 1 1 15 ASN HB3 H 9.058 3.478 9.886 1.00 . A A . 15 ASN HB3 1 1 9 4847 1 1 15 ASN HD21 H 10.935 4.732 8.081 1.00 . A A . 15 ASN HD21 1 1 9 4848 1 1 15 ASN HD22 H 11.000 6.402 8.522 1.00 . A A . 15 ASN HD22 1 1 9 4849 1 1 15 ASN N N 11.284 4.123 12.289 1.00 . A A . 15 ASN N 1 1 9 4850 1 1 15 ASN ND2 N 10.808 5.462 8.723 1.00 . A A . 15 ASN ND2 1 1 9 4851 1 1 15 ASN O O 11.642 1.403 11.756 1.00 . A A . 15 ASN O 1 1 9 4852 1 1 15 ASN OD1 O 10.160 6.012 10.802 1.00 . A A . 15 ASN OD1 1 1 9 4853 1 1 16 TYR C C 8.388 -1.102 11.539 1.00 . A A . 16 TYR C 1 1 9 4854 1 1 16 TYR CA C 9.562 -0.376 12.190 1.00 . A A . 16 TYR CA 1 1 9 4855 1 1 16 TYR CB C 9.644 -0.744 13.673 1.00 . A A . 16 TYR CB 1 1 9 4856 1 1 16 TYR CD1 C 7.759 0.503 14.799 1.00 . A A . 16 TYR CD1 1 1 9 4857 1 1 16 TYR CD2 C 7.599 -1.870 14.634 1.00 . A A . 16 TYR CD2 1 1 9 4858 1 1 16 TYR CE1 C 6.540 0.545 15.448 1.00 . A A . 16 TYR CE1 1 1 9 4859 1 1 16 TYR CE2 C 6.378 -1.837 15.281 1.00 . A A . 16 TYR CE2 1 1 9 4860 1 1 16 TYR CG C 8.309 -0.703 14.382 1.00 . A A . 16 TYR CG 1 1 9 4861 1 1 16 TYR CZ C 5.853 -0.627 15.686 1.00 . A A . 16 TYR CZ 1 1 9 4862 1 1 16 TYR H H 8.545 1.476 12.081 1.00 . A A . 16 TYR H 1 1 9 4863 1 1 16 TYR HA H 10.476 -0.684 11.702 1.00 . A A . 16 TYR HA 1 1 9 4864 1 1 16 TYR HB2 H 10.039 -1.743 13.768 1.00 . A A . 16 TYR HB2 1 1 9 4865 1 1 16 TYR HB3 H 10.306 -0.051 14.172 1.00 . A A . 16 TYR HB3 1 1 9 4866 1 1 16 TYR HD1 H 8.299 1.419 14.611 1.00 . A A . 16 TYR HD1 1 1 9 4867 1 1 16 TYR HD2 H 8.013 -2.815 14.316 1.00 . A A . 16 TYR HD2 1 1 9 4868 1 1 16 TYR HE1 H 6.128 1.492 15.765 1.00 . A A . 16 TYR HE1 1 1 9 4869 1 1 16 TYR HE2 H 5.841 -2.755 15.468 1.00 . A A . 16 TYR HE2 1 1 9 4870 1 1 16 TYR HH H 4.775 -0.691 17.276 1.00 . A A . 16 TYR HH 1 1 9 4871 1 1 16 TYR N N 9.434 1.067 12.033 1.00 . A A . 16 TYR N 1 1 9 4872 1 1 16 TYR O O 7.552 -0.486 10.878 1.00 . A A . 16 TYR O 1 1 9 4873 1 1 16 TYR OH O 4.639 -0.591 16.331 1.00 . A A . 16 TYR OH 1 1 9 4874 1 1 17 CYS C C 6.078 -3.311 12.125 1.00 . A A . 17 CYS C 1 1 9 4875 1 1 17 CYS CA C 7.262 -3.227 11.166 1.00 . A A . 17 CYS CA 1 1 9 4876 1 1 17 CYS CB C 7.775 -4.633 10.846 1.00 . A A . 17 CYS CB 1 1 9 4877 1 1 17 CYS H H 9.028 -2.850 12.270 1.00 . A A . 17 CYS H 1 1 9 4878 1 1 17 CYS HA H 6.936 -2.755 10.252 1.00 . A A . 17 CYS HA 1 1 9 4879 1 1 17 CYS HB2 H 8.609 -4.859 11.494 1.00 . A A . 17 CYS HB2 1 1 9 4880 1 1 17 CYS HB3 H 6.983 -5.345 11.025 1.00 . A A . 17 CYS HB3 1 1 9 4881 1 1 17 CYS N N 8.332 -2.415 11.733 1.00 . A A . 17 CYS N 1 1 9 4882 1 1 17 CYS O O 6.247 -3.584 13.312 1.00 . A A . 17 CYS O 1 1 9 4883 1 1 17 CYS SG S 8.336 -4.846 9.126 1.00 . A A . 17 CYS SG 1 1 9 4884 1 1 18 GLU C C 2.484 -3.623 11.584 1.00 . A A . 18 GLU C 1 1 9 4885 1 1 18 GLU CA C 3.668 -3.124 12.408 1.00 . A A . 18 GLU CA 1 1 9 4886 1 1 18 GLU CB C 3.356 -1.742 12.984 1.00 . A A . 18 GLU CB 1 1 9 4887 1 1 18 GLU CD C 2.778 -3.015 15.088 1.00 . A A . 18 GLU CD 1 1 9 4888 1 1 18 GLU CG C 2.508 -1.784 14.244 1.00 . A A . 18 GLU CG 1 1 9 4889 1 1 18 GLU H H 4.810 -2.863 10.644 1.00 . A A . 18 GLU H 1 1 9 4890 1 1 18 GLU HA H 3.840 -3.813 13.221 1.00 . A A . 18 GLU HA 1 1 9 4891 1 1 18 GLU HB2 H 4.286 -1.244 13.217 1.00 . A A . 18 GLU HB2 1 1 9 4892 1 1 18 GLU HB3 H 2.828 -1.166 12.239 1.00 . A A . 18 GLU HB3 1 1 9 4893 1 1 18 GLU HG2 H 2.721 -0.907 14.836 1.00 . A A . 18 GLU HG2 1 1 9 4894 1 1 18 GLU HG3 H 1.466 -1.782 13.961 1.00 . A A . 18 GLU HG3 1 1 9 4895 1 1 18 GLU N N 4.880 -3.075 11.598 1.00 . A A . 18 GLU N 1 1 9 4896 1 1 18 GLU O O 2.066 -2.977 10.624 1.00 . A A . 18 GLU O 1 1 9 4897 1 1 18 GLU OE1 O 3.706 -2.968 15.923 1.00 . A A . 18 GLU OE1 1 1 9 4898 1 1 18 GLU OE2 O 2.063 -4.023 14.913 1.00 . A A . 18 GLU OE2 1 1 9 4899 1 1 19 GLY C C -0.500 -4.711 11.660 1.00 . A A . 19 GLY C 1 1 9 4900 1 1 19 GLY CA C 0.817 -5.344 11.255 1.00 . A A . 19 GLY CA 1 1 9 4901 1 1 19 GLY H H 2.322 -5.248 12.742 1.00 . A A . 19 GLY H 1 1 9 4902 1 1 19 GLY HA2 H 0.964 -5.198 10.195 1.00 . A A . 19 GLY HA2 1 1 9 4903 1 1 19 GLY HA3 H 0.772 -6.403 11.460 1.00 . A A . 19 GLY HA3 1 1 9 4904 1 1 19 GLY N N 1.947 -4.777 11.968 1.00 . A A . 19 GLY N 1 1 9 4905 1 1 19 GLY O O -1.503 -4.848 10.960 1.00 . A A . 19 GLY O 1 1 9 4906 1 1 20 ALA C C -1.438 -1.891 13.595 1.00 . A A . 20 ALA C 1 1 9 4907 1 1 20 ALA CA C -1.701 -3.362 13.290 1.00 . A A . 20 ALA CA 1 1 9 4908 1 1 20 ALA CB C -2.218 -4.076 14.530 1.00 . A A . 20 ALA CB 1 1 9 4909 1 1 20 ALA H H 0.333 -3.945 13.308 1.00 . A A . 20 ALA H 1 1 9 4910 1 1 20 ALA HA H -2.459 -3.430 12.523 1.00 . A A . 20 ALA HA 1 1 9 4911 1 1 20 ALA HB1 H -1.636 -4.971 14.698 1.00 . A A . 20 ALA HB1 1 1 9 4912 1 1 20 ALA HB2 H -2.130 -3.423 15.385 1.00 . A A . 20 ALA HB2 1 1 9 4913 1 1 20 ALA HB3 H -3.254 -4.343 14.385 1.00 . A A . 20 ALA HB3 1 1 9 4914 1 1 20 ALA N N -0.498 -4.018 12.794 1.00 . A A . 20 ALA N 1 1 9 4915 1 1 20 ALA O O -0.467 -1.311 13.110 1.00 . A A . 20 ALA O 1 1 9 4916 1 1 21 ARG C C -0.899 0.338 15.579 1.00 . A A . 21 ARG C 1 1 9 4917 1 1 21 ARG CA C -2.173 0.110 14.770 1.00 . A A . 21 ARG CA 1 1 9 4918 1 1 21 ARG CB C -3.390 0.570 15.574 1.00 . A A . 21 ARG CB 1 1 9 4919 1 1 21 ARG CD C -5.832 1.023 15.189 1.00 . A A . 21 ARG CD 1 1 9 4920 1 1 21 ARG CG C -4.706 0.009 15.061 1.00 . A A . 21 ARG CG 1 1 9 4921 1 1 21 ARG CZ C -8.279 1.002 15.417 1.00 . A A . 21 ARG CZ 1 1 9 4922 1 1 21 ARG H H -3.064 -1.810 14.757 1.00 . A A . 21 ARG H 1 1 9 4923 1 1 21 ARG HA H -2.115 0.688 13.860 1.00 . A A . 21 ARG HA 1 1 9 4924 1 1 21 ARG HB2 H -3.267 0.258 16.601 1.00 . A A . 21 ARG HB2 1 1 9 4925 1 1 21 ARG HB3 H -3.444 1.647 15.538 1.00 . A A . 21 ARG HB3 1 1 9 4926 1 1 21 ARG HD2 H -5.757 1.505 16.152 1.00 . A A . 21 ARG HD2 1 1 9 4927 1 1 21 ARG HD3 H -5.722 1.762 14.408 1.00 . A A . 21 ARG HD3 1 1 9 4928 1 1 21 ARG HE H -7.187 -0.513 14.718 1.00 . A A . 21 ARG HE 1 1 9 4929 1 1 21 ARG HG2 H -4.593 -0.257 14.021 1.00 . A A . 21 ARG HG2 1 1 9 4930 1 1 21 ARG HG3 H -4.959 -0.871 15.634 1.00 . A A . 21 ARG HG3 1 1 9 4931 1 1 21 ARG HH11 H -7.386 2.717 16.001 1.00 . A A . 21 ARG HH11 1 1 9 4932 1 1 21 ARG HH12 H -9.111 2.689 16.157 1.00 . A A . 21 ARG HH12 1 1 9 4933 1 1 21 ARG HH21 H -9.458 -0.563 14.918 1.00 . A A . 21 ARG HH21 1 1 9 4934 1 1 21 ARG HH22 H -10.289 0.822 15.541 1.00 . A A . 21 ARG HH22 1 1 9 4935 1 1 21 ARG N N -2.310 -1.294 14.402 1.00 . A A . 21 ARG N 1 1 9 4936 1 1 21 ARG NE N -7.147 0.399 15.071 1.00 . A A . 21 ARG NE 1 1 9 4937 1 1 21 ARG NH1 N -8.257 2.237 15.898 1.00 . A A . 21 ARG NH1 1 1 9 4938 1 1 21 ARG NH2 N -9.437 0.368 15.281 1.00 . A A . 21 ARG NH2 1 1 9 4939 1 1 21 ARG O O -0.625 -0.381 16.541 1.00 . A A . 21 ARG O 1 1 9 4940 1 1 22 CYS C C 0.880 1.877 17.361 1.00 . A A . 22 CYS C 1 1 9 4941 1 1 22 CYS CA C 1.121 1.664 15.869 1.00 . A A . 22 CYS CA 1 1 9 4942 1 1 22 CYS CB C 1.753 2.917 15.261 1.00 . A A . 22 CYS CB 1 1 9 4943 1 1 22 CYS H H -0.396 1.879 14.408 1.00 . A A . 22 CYS H 1 1 9 4944 1 1 22 CYS HA H 1.796 0.832 15.741 1.00 . A A . 22 CYS HA 1 1 9 4945 1 1 22 CYS HB2 H 1.274 3.792 15.676 1.00 . A A . 22 CYS HB2 1 1 9 4946 1 1 22 CYS HB3 H 2.804 2.938 15.508 1.00 . A A . 22 CYS HB3 1 1 9 4947 1 1 22 CYS N N -0.124 1.341 15.183 1.00 . A A . 22 CYS N 1 1 9 4948 1 1 22 CYS O O -0.245 2.136 17.787 1.00 . A A . 22 CYS O 1 1 9 4949 1 1 22 CYS SG S 1.608 3.017 13.447 1.00 . A A . 22 CYS SG 1 1 9 4950 1 1 23 GLU C C 1.645 3.414 19.946 1.00 . A A . 23 GLU C 1 1 9 4951 1 1 23 GLU CA C 1.848 1.943 19.593 1.00 . A A . 23 GLU CA 1 1 9 4952 1 1 23 GLU CB C 3.107 1.412 20.280 1.00 . A A . 23 GLU CB 1 1 9 4953 1 1 23 GLU CD C 4.803 -0.459 20.372 1.00 . A A . 23 GLU CD 1 1 9 4954 1 1 23 GLU CG C 3.776 0.272 19.530 1.00 . A A . 23 GLU CG 1 1 9 4955 1 1 23 GLU H H 2.815 1.556 17.750 1.00 . A A . 23 GLU H 1 1 9 4956 1 1 23 GLU HA H 0.995 1.381 19.941 1.00 . A A . 23 GLU HA 1 1 9 4957 1 1 23 GLU HB2 H 3.819 2.219 20.377 1.00 . A A . 23 GLU HB2 1 1 9 4958 1 1 23 GLU HB3 H 2.842 1.059 21.266 1.00 . A A . 23 GLU HB3 1 1 9 4959 1 1 23 GLU HG2 H 3.018 -0.432 19.222 1.00 . A A . 23 GLU HG2 1 1 9 4960 1 1 23 GLU HG3 H 4.269 0.674 18.656 1.00 . A A . 23 GLU HG3 1 1 9 4961 1 1 23 GLU N N 1.945 1.764 18.149 1.00 . A A . 23 GLU N 1 1 9 4962 1 1 23 GLU O O 1.957 4.303 19.154 1.00 . A A . 23 GLU O 1 1 9 4963 1 1 23 GLU OE1 O 4.784 -1.708 20.378 1.00 . A A . 23 GLU OE1 1 1 9 4964 1 1 23 GLU OE2 O 5.624 0.217 21.027 1.00 . A A . 23 GLU OE2 1 1 9 4965 1 1 24 SER C C 2.149 5.852 21.565 1.00 . A A . 24 SER C 1 1 9 4966 1 1 24 SER CA C 0.868 5.024 21.599 1.00 . A A . 24 SER CA 1 1 9 4967 1 1 24 SER CB C 0.293 5.010 23.017 1.00 . A A . 24 SER CB 1 1 9 4968 1 1 24 SER H H 0.890 2.910 21.728 1.00 . A A . 24 SER H 1 1 9 4969 1 1 24 SER HA H 0.147 5.471 20.931 1.00 . A A . 24 SER HA 1 1 9 4970 1 1 24 SER HB2 H 1.011 4.566 23.689 1.00 . A A . 24 SER HB2 1 1 9 4971 1 1 24 SER HB3 H 0.088 6.024 23.328 1.00 . A A . 24 SER HB3 1 1 9 4972 1 1 24 SER HG H -0.704 3.325 23.061 1.00 . A A . 24 SER HG 1 1 9 4973 1 1 24 SER N N 1.118 3.662 21.141 1.00 . A A . 24 SER N 1 1 9 4974 1 1 24 SER O O 2.806 6.041 22.588 1.00 . A A . 24 SER O 1 1 9 4975 1 1 24 SER OG O -0.909 4.262 23.072 1.00 . A A . 24 SER OG 1 1 9 4976 1 1 25 GLY C C 4.168 7.228 18.794 1.00 . A A . 25 GLY C 1 1 9 4977 1 1 25 GLY CA C 3.699 7.145 20.233 1.00 . A A . 25 GLY CA 1 1 9 4978 1 1 25 GLY H H 1.936 6.159 19.598 1.00 . A A . 25 GLY H 1 1 9 4979 1 1 25 GLY HA2 H 3.498 8.142 20.594 1.00 . A A . 25 GLY HA2 1 1 9 4980 1 1 25 GLY HA3 H 4.485 6.707 20.831 1.00 . A A . 25 GLY HA3 1 1 9 4981 1 1 25 GLY N N 2.498 6.343 20.380 1.00 . A A . 25 GLY N 1 1 9 4982 1 1 25 GLY O O 4.723 8.243 18.373 1.00 . A A . 25 GLY O 1 1 9 4983 1 1 26 PHE C C 3.194 6.498 15.723 1.00 . A A . 26 PHE C 1 1 9 4984 1 1 26 PHE CA C 4.353 6.114 16.638 1.00 . A A . 26 PHE CA 1 1 9 4985 1 1 26 PHE CB C 4.861 4.717 16.277 1.00 . A A . 26 PHE CB 1 1 9 4986 1 1 26 PHE CD1 C 7.250 3.951 16.231 1.00 . A A . 26 PHE CD1 1 1 9 4987 1 1 26 PHE CD2 C 6.246 4.403 18.346 1.00 . A A . 26 PHE CD2 1 1 9 4988 1 1 26 PHE CE1 C 8.433 3.612 16.861 1.00 . A A . 26 PHE CE1 1 1 9 4989 1 1 26 PHE CE2 C 7.426 4.066 18.981 1.00 . A A . 26 PHE CE2 1 1 9 4990 1 1 26 PHE CG C 6.145 4.350 16.965 1.00 . A A . 26 PHE CG 1 1 9 4991 1 1 26 PHE CZ C 8.521 3.669 18.238 1.00 . A A . 26 PHE CZ 1 1 9 4992 1 1 26 PHE H H 3.499 5.380 18.431 1.00 . A A . 26 PHE H 1 1 9 4993 1 1 26 PHE HA H 5.153 6.825 16.504 1.00 . A A . 26 PHE HA 1 1 9 4994 1 1 26 PHE HB2 H 4.116 3.987 16.555 1.00 . A A . 26 PHE HB2 1 1 9 4995 1 1 26 PHE HB3 H 5.028 4.667 15.212 1.00 . A A . 26 PHE HB3 1 1 9 4996 1 1 26 PHE HD1 H 7.182 3.906 15.153 1.00 . A A . 26 PHE HD1 1 1 9 4997 1 1 26 PHE HD2 H 5.391 4.712 18.929 1.00 . A A . 26 PHE HD2 1 1 9 4998 1 1 26 PHE HE1 H 9.287 3.303 16.276 1.00 . A A . 26 PHE HE1 1 1 9 4999 1 1 26 PHE HE2 H 7.492 4.111 20.058 1.00 . A A . 26 PHE HE2 1 1 9 5000 1 1 26 PHE HZ H 9.444 3.406 18.732 1.00 . A A . 26 PHE HZ 1 1 9 5001 1 1 26 PHE N N 3.946 6.158 18.038 1.00 . A A . 26 PHE N 1 1 9 5002 1 1 26 PHE O O 2.084 6.765 16.186 1.00 . A A . 26 PHE O 1 1 9 5003 1 1 27 HIS C C 2.503 5.946 12.232 1.00 . A A . 27 HIS C 1 1 9 5004 1 1 27 HIS CA C 2.440 6.877 13.439 1.00 . A A . 27 HIS CA 1 1 9 5005 1 1 27 HIS CB C 2.614 8.327 12.989 1.00 . A A . 27 HIS CB 1 1 9 5006 1 1 27 HIS CD2 C 4.927 8.566 11.839 1.00 . A A . 27 HIS CD2 1 1 9 5007 1 1 27 HIS CE1 C 5.966 9.658 13.431 1.00 . A A . 27 HIS CE1 1 1 9 5008 1 1 27 HIS CG C 4.046 8.744 12.851 1.00 . A A . 27 HIS CG 1 1 9 5009 1 1 27 HIS H H 4.363 6.303 14.113 1.00 . A A . 27 HIS H 1 1 9 5010 1 1 27 HIS HA H 1.475 6.769 13.911 1.00 . A A . 27 HIS HA 1 1 9 5011 1 1 27 HIS HB2 H 2.137 8.459 12.028 1.00 . A A . 27 HIS HB2 1 1 9 5012 1 1 27 HIS HB3 H 2.146 8.981 13.711 1.00 . A A . 27 HIS HB3 1 1 9 5013 1 1 27 HIS HD1 H 4.359 9.711 14.697 1.00 . A A . 27 HIS HD1 1 1 9 5014 1 1 27 HIS HD2 H 4.734 8.063 10.901 1.00 . A A . 27 HIS HD2 1 1 9 5015 1 1 27 HIS HE1 H 6.728 10.176 13.992 1.00 . A A . 27 HIS HE1 1 1 9 5016 1 1 27 HIS N N 3.460 6.525 14.421 1.00 . A A . 27 HIS N 1 1 9 5017 1 1 27 HIS ND1 N 4.728 9.430 13.834 1.00 . A A . 27 HIS ND1 1 1 9 5018 1 1 27 HIS NE2 N 6.112 9.143 12.223 1.00 . A A . 27 HIS NE2 1 1 9 5019 1 1 27 HIS O O 3.572 5.724 11.663 1.00 . A A . 27 HIS O 1 1 9 5020 1 1 28 ASP C C 1.707 5.200 9.425 1.00 . A A . 28 ASP C 1 1 9 5021 1 1 28 ASP CA C 1.278 4.496 10.709 1.00 . A A . 28 ASP CA 1 1 9 5022 1 1 28 ASP CB C -0.143 3.951 10.557 1.00 . A A . 28 ASP CB 1 1 9 5023 1 1 28 ASP CG C -0.405 3.397 9.170 1.00 . A A . 28 ASP CG 1 1 9 5024 1 1 28 ASP H H 0.535 5.619 12.343 1.00 . A A . 28 ASP H 1 1 9 5025 1 1 28 ASP HA H 1.951 3.673 10.895 1.00 . A A . 28 ASP HA 1 1 9 5026 1 1 28 ASP HB2 H -0.297 3.160 11.275 1.00 . A A . 28 ASP HB2 1 1 9 5027 1 1 28 ASP HB3 H -0.849 4.747 10.746 1.00 . A A . 28 ASP HB3 1 1 9 5028 1 1 28 ASP N N 1.353 5.403 11.848 1.00 . A A . 28 ASP N 1 1 9 5029 1 1 28 ASP O O 1.043 6.128 8.962 1.00 . A A . 28 ASP O 1 1 9 5030 1 1 28 ASP OD1 O -1.513 3.624 8.640 1.00 . A A . 28 ASP OD1 1 1 9 5031 1 1 28 ASP OD2 O 0.498 2.737 8.615 1.00 . A A . 28 ASP OD2 1 1 9 5032 1 1 29 CYS C C 3.373 4.308 6.502 1.00 . A A . 29 CYS C 1 1 9 5033 1 1 29 CYS CA C 3.340 5.340 7.626 1.00 . A A . 29 CYS CA 1 1 9 5034 1 1 29 CYS CB C 4.744 5.902 7.858 1.00 . A A . 29 CYS CB 1 1 9 5035 1 1 29 CYS H H 3.307 4.010 9.272 1.00 . A A . 29 CYS H 1 1 9 5036 1 1 29 CYS HA H 2.682 6.146 7.339 1.00 . A A . 29 CYS HA 1 1 9 5037 1 1 29 CYS HB2 H 5.184 6.155 6.904 1.00 . A A . 29 CYS HB2 1 1 9 5038 1 1 29 CYS HB3 H 4.672 6.793 8.463 1.00 . A A . 29 CYS HB3 1 1 9 5039 1 1 29 CYS N N 2.821 4.753 8.855 1.00 . A A . 29 CYS N 1 1 9 5040 1 1 29 CYS O O 4.185 4.401 5.583 1.00 . A A . 29 CYS O 1 1 9 5041 1 1 29 CYS SG S 5.876 4.750 8.701 1.00 . A A . 29 CYS SG 1 1 9 5042 1 1 30 GLY C C 2.288 2.858 4.168 1.00 . A A . 30 GLY C 1 1 9 5043 1 1 30 GLY CA C 2.424 2.290 5.567 1.00 . A A . 30 GLY CA 1 1 9 5044 1 1 30 GLY H H 1.858 3.302 7.339 1.00 . A A . 30 GLY H 1 1 9 5045 1 1 30 GLY HA2 H 3.327 1.700 5.619 1.00 . A A . 30 GLY HA2 1 1 9 5046 1 1 30 GLY HA3 H 1.577 1.651 5.768 1.00 . A A . 30 GLY HA3 1 1 9 5047 1 1 30 GLY N N 2.481 3.325 6.583 1.00 . A A . 30 GLY N 1 1 9 5048 1 1 30 GLY O O 2.477 2.147 3.182 1.00 . A A . 30 GLY O 1 1 9 5049 1 1 31 SER C C 2.890 4.386 1.822 1.00 . A A . 31 SER C 1 1 9 5050 1 1 31 SER CA C 1.790 4.804 2.794 1.00 . A A . 31 SER CA 1 1 9 5051 1 1 31 SER CB C 1.801 6.323 2.971 1.00 . A A . 31 SER CB 1 1 9 5052 1 1 31 SER H H 1.820 4.656 4.906 1.00 . A A . 31 SER H 1 1 9 5053 1 1 31 SER HA H 0.835 4.504 2.389 1.00 . A A . 31 SER HA 1 1 9 5054 1 1 31 SER HB2 H 1.797 6.797 2.001 1.00 . A A . 31 SER HB2 1 1 9 5055 1 1 31 SER HB3 H 0.923 6.625 3.523 1.00 . A A . 31 SER HB3 1 1 9 5056 1 1 31 SER HG H 2.896 7.688 3.853 1.00 . A A . 31 SER HG 1 1 9 5057 1 1 31 SER N N 1.957 4.142 4.082 1.00 . A A . 31 SER N 1 1 9 5058 1 1 31 SER O O 2.653 3.612 0.895 1.00 . A A . 31 SER O 1 1 9 5059 1 1 31 SER OG O 2.954 6.745 3.680 1.00 . A A . 31 SER OG 1 1 9 5060 1 1 32 ASP C C 6.242 3.718 1.930 1.00 . A A . 32 ASP C 1 1 9 5061 1 1 32 ASP CA C 5.231 4.585 1.187 1.00 . A A . 32 ASP CA 1 1 9 5062 1 1 32 ASP CB C 5.903 5.869 0.697 1.00 . A A . 32 ASP CB 1 1 9 5063 1 1 32 ASP CG C 5.986 6.928 1.778 1.00 . A A . 32 ASP CG 1 1 9 5064 1 1 32 ASP H H 4.219 5.516 2.797 1.00 . A A . 32 ASP H 1 1 9 5065 1 1 32 ASP HA H 4.861 4.036 0.335 1.00 . A A . 32 ASP HA 1 1 9 5066 1 1 32 ASP HB2 H 6.906 5.639 0.367 1.00 . A A . 32 ASP HB2 1 1 9 5067 1 1 32 ASP HB3 H 5.339 6.269 -0.132 1.00 . A A . 32 ASP HB3 1 1 9 5068 1 1 32 ASP N N 4.093 4.904 2.042 1.00 . A A . 32 ASP N 1 1 9 5069 1 1 32 ASP O O 7.448 3.817 1.700 1.00 . A A . 32 ASP O 1 1 9 5070 1 1 32 ASP OD1 O 4.929 7.295 2.333 1.00 . A A . 32 ASP OD1 1 1 9 5071 1 1 32 ASP OD2 O 7.109 7.390 2.071 1.00 . A A . 32 ASP OD2 1 1 9 5072 1 1 33 HIS C C 5.891 0.671 3.913 1.00 . A A . 33 HIS C 1 1 9 5073 1 1 33 HIS CA C 6.603 1.984 3.600 1.00 . A A . 33 HIS CA 1 1 9 5074 1 1 33 HIS CB C 7.033 2.667 4.898 1.00 . A A . 33 HIS CB 1 1 9 5075 1 1 33 HIS CD2 C 8.680 4.396 3.885 1.00 . A A . 33 HIS CD2 1 1 9 5076 1 1 33 HIS CE1 C 7.983 6.173 4.964 1.00 . A A . 33 HIS CE1 1 1 9 5077 1 1 33 HIS CG C 7.661 4.010 4.689 1.00 . A A . 33 HIS CG 1 1 9 5078 1 1 33 HIS H H 4.774 2.836 2.961 1.00 . A A . 33 HIS H 1 1 9 5079 1 1 33 HIS HA H 7.481 1.770 3.008 1.00 . A A . 33 HIS HA 1 1 9 5080 1 1 33 HIS HB2 H 6.167 2.801 5.530 1.00 . A A . 33 HIS HB2 1 1 9 5081 1 1 33 HIS HB3 H 7.751 2.040 5.407 1.00 . A A . 33 HIS HB3 1 1 9 5082 1 1 33 HIS HD1 H 6.521 5.194 6.007 1.00 . A A . 33 HIS HD1 1 1 9 5083 1 1 33 HIS HD2 H 9.247 3.761 3.218 1.00 . A A . 33 HIS HD2 1 1 9 5084 1 1 33 HIS HE1 H 7.885 7.189 5.314 1.00 . A A . 33 HIS HE1 1 1 9 5085 1 1 33 HIS N N 5.743 2.868 2.822 1.00 . A A . 33 HIS N 1 1 9 5086 1 1 33 HIS ND1 N 7.247 5.146 5.351 1.00 . A A . 33 HIS ND1 1 1 9 5087 1 1 33 HIS NE2 N 8.861 5.744 4.075 1.00 . A A . 33 HIS NE2 1 1 9 5088 1 1 33 HIS O O 4.874 0.656 4.607 1.00 . A A . 33 HIS O 1 1 9 5089 1 1 34 TRP C C 6.815 -2.648 4.376 1.00 . A A . 34 TRP C 1 1 9 5090 1 1 34 TRP CA C 5.846 -1.744 3.621 1.00 . A A . 34 TRP CA 1 1 9 5091 1 1 34 TRP CB C 5.462 -2.388 2.288 1.00 . A A . 34 TRP CB 1 1 9 5092 1 1 34 TRP CD1 C 6.011 -1.332 0.019 1.00 . A A . 34 TRP CD1 1 1 9 5093 1 1 34 TRP CD2 C 7.770 -2.249 1.057 1.00 . A A . 34 TRP CD2 1 1 9 5094 1 1 34 TRP CE2 C 8.204 -1.709 -0.169 1.00 . A A . 34 TRP CE2 1 1 9 5095 1 1 34 TRP CE3 C 8.705 -2.878 1.884 1.00 . A A . 34 TRP CE3 1 1 9 5096 1 1 34 TRP CG C 6.365 -1.997 1.158 1.00 . A A . 34 TRP CG 1 1 9 5097 1 1 34 TRP CH2 C 10.425 -2.400 0.244 1.00 . A A . 34 TRP CH2 1 1 9 5098 1 1 34 TRP CZ2 C 9.531 -1.779 -0.586 1.00 . A A . 34 TRP CZ2 1 1 9 5099 1 1 34 TRP CZ3 C 10.021 -2.947 1.469 1.00 . A A . 34 TRP CZ3 1 1 9 5100 1 1 34 TRP H H 7.242 -0.351 2.852 1.00 . A A . 34 TRP H 1 1 9 5101 1 1 34 TRP HA H 4.955 -1.613 4.218 1.00 . A A . 34 TRP HA 1 1 9 5102 1 1 34 TRP HB2 H 5.500 -3.462 2.390 1.00 . A A . 34 TRP HB2 1 1 9 5103 1 1 34 TRP HB3 H 4.456 -2.090 2.030 1.00 . A A . 34 TRP HB3 1 1 9 5104 1 1 34 TRP HD1 H 5.008 -1.001 -0.206 1.00 . A A . 34 TRP HD1 1 1 9 5105 1 1 34 TRP HE1 H 7.115 -0.705 -1.655 1.00 . A A . 34 TRP HE1 1 1 9 5106 1 1 34 TRP HE3 H 8.414 -3.305 2.832 1.00 . A A . 34 TRP HE3 1 1 9 5107 1 1 34 TRP HH2 H 11.463 -2.478 -0.040 1.00 . A A . 34 TRP HH2 1 1 9 5108 1 1 34 TRP HZ2 H 9.857 -1.362 -1.527 1.00 . A A . 34 TRP HZ2 1 1 9 5109 1 1 34 TRP HZ3 H 10.758 -3.429 2.095 1.00 . A A . 34 TRP HZ3 1 1 9 5110 1 1 34 TRP N N 6.431 -0.427 3.397 1.00 . A A . 34 TRP N 1 1 9 5111 1 1 34 TRP NE1 N 7.112 -1.156 -0.784 1.00 . A A . 34 TRP NE1 1 1 9 5112 1 1 34 TRP O O 7.974 -2.292 4.591 1.00 . A A . 34 TRP O 1 1 9 5113 1 1 35 CYS C C 7.557 -5.945 4.613 1.00 . A A . 35 CYS C 1 1 9 5114 1 1 35 CYS CA C 7.156 -4.776 5.508 1.00 . A A . 35 CYS CA 1 1 9 5115 1 1 35 CYS CB C 6.404 -5.294 6.736 1.00 . A A . 35 CYS CB 1 1 9 5116 1 1 35 CYS H H 5.400 -4.048 4.576 1.00 . A A . 35 CYS H 1 1 9 5117 1 1 35 CYS HA H 8.049 -4.265 5.833 1.00 . A A . 35 CYS HA 1 1 9 5118 1 1 35 CYS HB2 H 5.355 -5.386 6.493 1.00 . A A . 35 CYS HB2 1 1 9 5119 1 1 35 CYS HB3 H 6.793 -6.264 7.004 1.00 . A A . 35 CYS HB3 1 1 9 5120 1 1 35 CYS N N 6.333 -3.820 4.777 1.00 . A A . 35 CYS N 1 1 9 5121 1 1 35 CYS O O 7.059 -6.084 3.496 1.00 . A A . 35 CYS O 1 1 9 5122 1 1 35 CYS SG S 6.539 -4.217 8.199 1.00 . A A . 35 CYS SG 1 1 9 5123 1 1 36 ASP C C 7.750 -8.727 3.786 1.00 . A A . 36 ASP C 1 1 9 5124 1 1 36 ASP CA C 8.926 -7.941 4.360 1.00 . A A . 36 ASP CA 1 1 9 5125 1 1 36 ASP CB C 9.774 -8.848 5.253 1.00 . A A . 36 ASP CB 1 1 9 5126 1 1 36 ASP CG C 11.237 -8.451 5.258 1.00 . A A . 36 ASP CG 1 1 9 5127 1 1 36 ASP H H 8.818 -6.619 6.010 1.00 . A A . 36 ASP H 1 1 9 5128 1 1 36 ASP HA H 9.535 -7.583 3.544 1.00 . A A . 36 ASP HA 1 1 9 5129 1 1 36 ASP HB2 H 9.402 -8.795 6.266 1.00 . A A . 36 ASP HB2 1 1 9 5130 1 1 36 ASP HB3 H 9.696 -9.866 4.899 1.00 . A A . 36 ASP HB3 1 1 9 5131 1 1 36 ASP N N 8.458 -6.783 5.113 1.00 . A A . 36 ASP N 1 1 9 5132 1 1 36 ASP O O 7.808 -9.212 2.657 1.00 . A A . 36 ASP O 1 1 9 5133 1 1 36 ASP OD1 O 12.093 -9.341 5.449 1.00 . A A . 36 ASP OD1 1 1 9 5134 1 1 36 ASP OD2 O 11.526 -7.251 5.070 1.00 . A A . 36 ASP OD2 1 1 9 5135 1 1 37 ALA C C 4.468 -8.628 3.532 1.00 . A A . 37 ALA C 1 1 9 5136 1 1 37 ALA CA C 5.497 -9.573 4.143 1.00 . A A . 37 ALA CA 1 1 9 5137 1 1 37 ALA CB C 4.890 -10.333 5.313 1.00 . A A . 37 ALA CB 1 1 9 5138 1 1 37 ALA H H 6.700 -8.438 5.463 1.00 . A A . 37 ALA H 1 1 9 5139 1 1 37 ALA HA H 5.798 -10.293 3.395 1.00 . A A . 37 ALA HA 1 1 9 5140 1 1 37 ALA HB1 H 4.088 -9.750 5.742 1.00 . A A . 37 ALA HB1 1 1 9 5141 1 1 37 ALA HB2 H 4.502 -11.279 4.966 1.00 . A A . 37 ALA HB2 1 1 9 5142 1 1 37 ALA HB3 H 5.649 -10.507 6.061 1.00 . A A . 37 ALA HB3 1 1 9 5143 1 1 37 ALA N N 6.686 -8.848 4.573 1.00 . A A . 37 ALA N 1 1 9 5144 1 1 37 ALA O O 4.039 -7.667 4.170 1.00 . A A . 37 ALA O 1 1 9 5145 1 1 38 SER C C 1.785 -8.022 2.365 1.00 . A A . 38 SER C 1 1 9 5146 1 1 38 SER CA C 3.101 -8.078 1.595 1.00 . A A . 38 SER CA 1 1 9 5147 1 1 38 SER CB C 2.856 -8.620 0.185 1.00 . A A . 38 SER CB 1 1 9 5148 1 1 38 SER H H 4.455 -9.688 1.837 1.00 . A A . 38 SER H 1 1 9 5149 1 1 38 SER HA H 3.505 -7.080 1.522 1.00 . A A . 38 SER HA 1 1 9 5150 1 1 38 SER HB2 H 2.013 -8.109 -0.253 1.00 . A A . 38 SER HB2 1 1 9 5151 1 1 38 SER HB3 H 3.735 -8.449 -0.421 1.00 . A A . 38 SER HB3 1 1 9 5152 1 1 38 SER HG H 2.015 -10.210 0.960 1.00 . A A . 38 SER HG 1 1 9 5153 1 1 38 SER N N 4.077 -8.907 2.293 1.00 . A A . 38 SER N 1 1 9 5154 1 1 38 SER O O 0.825 -8.712 2.027 1.00 . A A . 38 SER O 1 1 9 5155 1 1 38 SER OG O 2.584 -10.010 0.213 1.00 . A A . 38 SER OG 1 1 9 5156 1 1 39 GLY C C 0.787 -6.273 5.481 1.00 . A A . 39 GLY C 1 1 9 5157 1 1 39 GLY CA C 0.549 -7.062 4.208 1.00 . A A . 39 GLY CA 1 1 9 5158 1 1 39 GLY H H 2.547 -6.668 3.628 1.00 . A A . 39 GLY H 1 1 9 5159 1 1 39 GLY HA2 H -0.209 -6.562 3.623 1.00 . A A . 39 GLY HA2 1 1 9 5160 1 1 39 GLY HA3 H 0.196 -8.048 4.471 1.00 . A A . 39 GLY HA3 1 1 9 5161 1 1 39 GLY N N 1.751 -7.194 3.405 1.00 . A A . 39 GLY N 1 1 9 5162 1 1 39 GLY O O -0.148 -5.716 6.057 1.00 . A A . 39 GLY O 1 1 9 5163 1 1 40 ASP C C 2.778 -4.058 6.812 1.00 . A A . 40 ASP C 1 1 9 5164 1 1 40 ASP CA C 2.397 -5.499 7.134 1.00 . A A . 40 ASP CA 1 1 9 5165 1 1 40 ASP CB C 3.553 -6.198 7.850 1.00 . A A . 40 ASP CB 1 1 9 5166 1 1 40 ASP CG C 3.075 -7.198 8.884 1.00 . A A . 40 ASP CG 1 1 9 5167 1 1 40 ASP H H 2.741 -6.689 5.417 1.00 . A A . 40 ASP H 1 1 9 5168 1 1 40 ASP HA H 1.534 -5.494 7.783 1.00 . A A . 40 ASP HA 1 1 9 5169 1 1 40 ASP HB2 H 4.155 -6.722 7.121 1.00 . A A . 40 ASP HB2 1 1 9 5170 1 1 40 ASP HB3 H 4.161 -5.457 8.347 1.00 . A A . 40 ASP HB3 1 1 9 5171 1 1 40 ASP N N 2.039 -6.225 5.921 1.00 . A A . 40 ASP N 1 1 9 5172 1 1 40 ASP O O 3.556 -3.802 5.892 1.00 . A A . 40 ASP O 1 1 9 5173 1 1 40 ASP OD1 O 3.130 -6.878 10.090 1.00 . A A . 40 ASP OD1 1 1 9 5174 1 1 40 ASP OD2 O 2.644 -8.301 8.487 1.00 . A A . 40 ASP OD2 1 1 9 5175 1 1 41 ARG C C 3.594 -1.221 8.321 1.00 . A A . 41 ARG C 1 1 9 5176 1 1 41 ARG CA C 2.505 -1.704 7.368 1.00 . A A . 41 ARG CA 1 1 9 5177 1 1 41 ARG CB C 1.234 -0.877 7.567 1.00 . A A . 41 ARG CB 1 1 9 5178 1 1 41 ARG CD C -1.037 -0.694 8.628 1.00 . A A . 41 ARG CD 1 1 9 5179 1 1 41 ARG CG C 0.155 -1.598 8.359 1.00 . A A . 41 ARG CG 1 1 9 5180 1 1 41 ARG CZ C -1.951 -0.015 6.448 1.00 . A A . 41 ARG CZ 1 1 9 5181 1 1 41 ARG H H 1.613 -3.387 8.291 1.00 . A A . 41 ARG H 1 1 9 5182 1 1 41 ARG HA H 2.850 -1.579 6.353 1.00 . A A . 41 ARG HA 1 1 9 5183 1 1 41 ARG HB2 H 1.488 0.032 8.093 1.00 . A A . 41 ARG HB2 1 1 9 5184 1 1 41 ARG HB3 H 0.830 -0.621 6.600 1.00 . A A . 41 ARG HB3 1 1 9 5185 1 1 41 ARG HD2 H -1.507 -1.004 9.549 1.00 . A A . 41 ARG HD2 1 1 9 5186 1 1 41 ARG HD3 H -0.686 0.322 8.727 1.00 . A A . 41 ARG HD3 1 1 9 5187 1 1 41 ARG HE H -2.773 -1.373 7.656 1.00 . A A . 41 ARG HE 1 1 9 5188 1 1 41 ARG HG2 H -0.178 -2.457 7.796 1.00 . A A . 41 ARG HG2 1 1 9 5189 1 1 41 ARG HG3 H 0.570 -1.922 9.302 1.00 . A A . 41 ARG HG3 1 1 9 5190 1 1 41 ARG HH11 H -0.239 0.917 6.980 1.00 . A A . 41 ARG HH11 1 1 9 5191 1 1 41 ARG HH12 H -0.894 1.386 5.446 1.00 . A A . 41 ARG HH12 1 1 9 5192 1 1 41 ARG HH21 H -3.645 -0.763 5.638 1.00 . A A . 41 ARG HH21 1 1 9 5193 1 1 41 ARG HH22 H -2.831 0.430 4.684 1.00 . A A . 41 ARG HH22 1 1 9 5194 1 1 41 ARG N N 2.225 -3.120 7.574 1.00 . A A . 41 ARG N 1 1 9 5195 1 1 41 ARG NE N -2.022 -0.753 7.551 1.00 . A A . 41 ARG NE 1 1 9 5196 1 1 41 ARG NH1 N -0.946 0.833 6.278 1.00 . A A . 41 ARG NH1 1 1 9 5197 1 1 41 ARG NH2 N -2.886 -0.125 5.513 1.00 . A A . 41 ARG NH2 1 1 9 5198 1 1 41 ARG O O 3.556 -1.504 9.519 1.00 . A A . 41 ARG O 1 1 9 5199 1 1 42 CYS C C 5.245 1.294 9.327 1.00 . A A . 42 CYS C 1 1 9 5200 1 1 42 CYS CA C 5.666 0.030 8.582 1.00 . A A . 42 CYS CA 1 1 9 5201 1 1 42 CYS CB C 6.875 0.326 7.693 1.00 . A A . 42 CYS CB 1 1 9 5202 1 1 42 CYS H H 4.541 -0.300 6.820 1.00 . A A . 42 CYS H 1 1 9 5203 1 1 42 CYS HA H 5.937 -0.725 9.305 1.00 . A A . 42 CYS HA 1 1 9 5204 1 1 42 CYS HB2 H 6.529 0.585 6.703 1.00 . A A . 42 CYS HB2 1 1 9 5205 1 1 42 CYS HB3 H 7.421 1.160 8.108 1.00 . A A . 42 CYS HB3 1 1 9 5206 1 1 42 CYS N N 4.565 -0.492 7.781 1.00 . A A . 42 CYS N 1 1 9 5207 1 1 42 CYS O O 4.747 2.245 8.724 1.00 . A A . 42 CYS O 1 1 9 5208 1 1 42 CYS SG S 8.035 -1.069 7.526 1.00 . A A . 42 CYS SG 1 1 9 5209 1 1 43 CYS C C 6.319 3.301 11.765 1.00 . A A . 43 CYS C 1 1 9 5210 1 1 43 CYS CA C 5.093 2.442 11.467 1.00 . A A . 43 CYS CA 1 1 9 5211 1 1 43 CYS CB C 4.456 1.973 12.776 1.00 . A A . 43 CYS CB 1 1 9 5212 1 1 43 CYS H H 5.852 0.508 11.063 1.00 . A A . 43 CYS H 1 1 9 5213 1 1 43 CYS HA H 4.377 3.036 10.921 1.00 . A A . 43 CYS HA 1 1 9 5214 1 1 43 CYS HB2 H 4.976 1.093 13.126 1.00 . A A . 43 CYS HB2 1 1 9 5215 1 1 43 CYS HB3 H 4.548 2.756 13.514 1.00 . A A . 43 CYS HB3 1 1 9 5216 1 1 43 CYS N N 5.450 1.297 10.639 1.00 . A A . 43 CYS N 1 1 9 5217 1 1 43 CYS O O 7.391 2.785 12.083 1.00 . A A . 43 CYS O 1 1 9 5218 1 1 43 CYS SG S 2.689 1.551 12.634 1.00 . A A . 43 CYS SG 1 1 9 5219 1 1 44 CYS C C 7.002 6.326 13.207 1.00 . A A . 44 CYS C 1 1 9 5220 1 1 44 CYS CA C 7.244 5.547 11.917 1.00 . A A . 44 CYS CA 1 1 9 5221 1 1 44 CYS CB C 7.401 6.518 10.745 1.00 . A A . 44 CYS CB 1 1 9 5222 1 1 44 CYS H H 5.275 4.968 11.402 1.00 . A A . 44 CYS H 1 1 9 5223 1 1 44 CYS HA H 8.153 4.974 12.022 1.00 . A A . 44 CYS HA 1 1 9 5224 1 1 44 CYS HB2 H 6.533 7.159 10.700 1.00 . A A . 44 CYS HB2 1 1 9 5225 1 1 44 CYS HB3 H 8.281 7.123 10.904 1.00 . A A . 44 CYS HB3 1 1 9 5226 1 1 44 CYS N N 6.153 4.615 11.660 1.00 . A A . 44 CYS N 1 1 9 5227 1 1 44 CYS O O 5.913 6.853 13.431 1.00 . A A . 44 CYS O 1 1 9 5228 1 1 44 CYS SG S 7.572 5.704 9.124 1.00 . A A . 44 CYS SG 1 1 9 5229 1 1 45 ALA C C 8.076 8.612 15.112 1.00 . A A . 45 ALA C 1 1 9 5230 1 1 45 ALA CA C 7.925 7.109 15.318 1.00 . A A . 45 ALA CA 1 1 9 5231 1 1 45 ALA CB C 8.974 6.600 16.296 1.00 . A A . 45 ALA CB 1 1 9 5232 1 1 45 ALA H H 8.868 5.952 13.818 1.00 . A A . 45 ALA H 1 1 9 5233 1 1 45 ALA HA H 6.950 6.909 15.738 1.00 . A A . 45 ALA HA 1 1 9 5234 1 1 45 ALA HB1 H 9.825 7.266 16.288 1.00 . A A . 45 ALA HB1 1 1 9 5235 1 1 45 ALA HB2 H 8.553 6.566 17.290 1.00 . A A . 45 ALA HB2 1 1 9 5236 1 1 45 ALA HB3 H 9.288 5.610 16.004 1.00 . A A . 45 ALA HB3 1 1 9 5237 1 1 45 ALA N N 8.026 6.393 14.052 1.00 . A A . 45 ALA N 1 1 9 5238 1 1 45 ALA O O 8.205 9.370 16.075 1.00 . A A . 45 ALA O 1 1 10 5239 1 1 1 CYS C C 2.136 -0.743 -2.536 1.00 . A A . 1 CYS C 1 1 10 5240 1 1 1 CYS CA C 1.670 0.695 -2.332 1.00 . A A . 1 CYS CA 1 1 10 5241 1 1 1 CYS CB C 2.813 1.537 -1.759 1.00 . A A . 1 CYS CB 1 1 10 5242 1 1 1 CYS HA H 1.377 1.105 -3.287 1.00 . A A . 1 CYS HA 1 1 10 5243 1 1 1 CYS HB2 H 3.604 1.601 -2.492 1.00 . A A . 1 CYS HB2 1 1 10 5244 1 1 1 CYS HB3 H 2.446 2.529 -1.545 1.00 . A A . 1 CYS HB3 1 1 10 5245 1 1 1 CYS N N 0.512 0.747 -1.448 1.00 . A A . 1 CYS N 1 1 10 5246 1 1 1 CYS O O 1.608 -1.671 -1.921 1.00 . A A . 1 CYS O 1 1 10 5247 1 1 1 CYS SG S 3.533 0.867 -0.226 1.00 . A A . 1 CYS SG 1 1 10 5248 1 1 2 TYR C C 5.167 -2.290 -3.446 1.00 . A A . 2 TYR C 1 1 10 5249 1 1 2 TYR CA C 3.662 -2.247 -3.690 1.00 . A A . 2 TYR CA 1 1 10 5250 1 1 2 TYR CB C 3.357 -2.641 -5.136 1.00 . A A . 2 TYR CB 1 1 10 5251 1 1 2 TYR CD1 C 2.807 -4.839 -6.251 1.00 . A A . 2 TYR CD1 1 1 10 5252 1 1 2 TYR CD2 C 1.489 -4.165 -4.382 1.00 . A A . 2 TYR CD2 1 1 10 5253 1 1 2 TYR CE1 C 2.060 -5.995 -6.367 1.00 . A A . 2 TYR CE1 1 1 10 5254 1 1 2 TYR CE2 C 0.737 -5.319 -4.490 1.00 . A A . 2 TYR CE2 1 1 10 5255 1 1 2 TYR CG C 2.536 -3.905 -5.258 1.00 . A A . 2 TYR CG 1 1 10 5256 1 1 2 TYR CZ C 1.026 -6.231 -5.484 1.00 . A A . 2 TYR CZ 1 1 10 5257 1 1 2 TYR H H 3.506 -0.143 -3.862 1.00 . A A . 2 TYR H 1 1 10 5258 1 1 2 TYR HA H 3.181 -2.950 -3.026 1.00 . A A . 2 TYR HA 1 1 10 5259 1 1 2 TYR HB2 H 2.808 -1.843 -5.611 1.00 . A A . 2 TYR HB2 1 1 10 5260 1 1 2 TYR HB3 H 4.286 -2.796 -5.663 1.00 . A A . 2 TYR HB3 1 1 10 5261 1 1 2 TYR HD1 H 3.617 -4.652 -6.941 1.00 . A A . 2 TYR HD1 1 1 10 5262 1 1 2 TYR HD2 H 1.265 -3.449 -3.605 1.00 . A A . 2 TYR HD2 1 1 10 5263 1 1 2 TYR HE1 H 2.286 -6.709 -7.145 1.00 . A A . 2 TYR HE1 1 1 10 5264 1 1 2 TYR HE2 H -0.072 -5.504 -3.800 1.00 . A A . 2 TYR HE2 1 1 10 5265 1 1 2 TYR HH H -0.241 -7.503 -4.798 1.00 . A A . 2 TYR HH 1 1 10 5266 1 1 2 TYR N N 3.126 -0.921 -3.403 1.00 . A A . 2 TYR N 1 1 10 5267 1 1 2 TYR O O 5.853 -1.268 -3.448 1.00 . A A . 2 TYR O 1 1 10 5268 1 1 2 TYR OH O 0.279 -7.381 -5.596 1.00 . A A . 2 TYR OH 1 1 10 5269 1 1 3 PRO C C 7.973 -3.456 -4.223 1.00 . A A . 3 PRO C 1 1 10 5270 1 1 3 PRO CA C 7.125 -3.713 -2.982 1.00 . A A . 3 PRO CA 1 1 10 5271 1 1 3 PRO CB C 7.203 -5.187 -2.576 1.00 . A A . 3 PRO CB 1 1 10 5272 1 1 3 PRO CD C 4.938 -4.767 -3.213 1.00 . A A . 3 PRO CD 1 1 10 5273 1 1 3 PRO CG C 6.013 -5.818 -3.211 1.00 . A A . 3 PRO CG 1 1 10 5274 1 1 3 PRO HA H 7.481 -3.095 -2.170 1.00 . A A . 3 PRO HA 1 1 10 5275 1 1 3 PRO HB2 H 8.124 -5.616 -2.945 1.00 . A A . 3 PRO HB2 1 1 10 5276 1 1 3 PRO HB3 H 7.167 -5.270 -1.500 1.00 . A A . 3 PRO HB3 1 1 10 5277 1 1 3 PRO HD2 H 4.322 -4.859 -4.096 1.00 . A A . 3 PRO HD2 1 1 10 5278 1 1 3 PRO HD3 H 4.335 -4.842 -2.320 1.00 . A A . 3 PRO HD3 1 1 10 5279 1 1 3 PRO HG2 H 6.250 -6.114 -4.222 1.00 . A A . 3 PRO HG2 1 1 10 5280 1 1 3 PRO HG3 H 5.699 -6.674 -2.632 1.00 . A A . 3 PRO HG3 1 1 10 5281 1 1 3 PRO N N 5.696 -3.504 -3.230 1.00 . A A . 3 PRO N 1 1 10 5282 1 1 3 PRO O O 8.387 -4.391 -4.908 1.00 . A A . 3 PRO O 1 1 10 5283 1 1 4 GLY C C 8.464 -0.633 -6.412 1.00 . A A . 4 GLY C 1 1 10 5284 1 1 4 GLY CA C 9.026 -1.827 -5.666 1.00 . A A . 4 GLY CA 1 1 10 5285 1 1 4 GLY H H 7.872 -1.479 -3.925 1.00 . A A . 4 GLY H 1 1 10 5286 1 1 4 GLY HA2 H 10.030 -1.596 -5.341 1.00 . A A . 4 GLY HA2 1 1 10 5287 1 1 4 GLY HA3 H 9.061 -2.672 -6.337 1.00 . A A . 4 GLY HA3 1 1 10 5288 1 1 4 GLY N N 8.228 -2.183 -4.507 1.00 . A A . 4 GLY N 1 1 10 5289 1 1 4 GLY O O 8.997 -0.233 -7.446 1.00 . A A . 4 GLY O 1 1 10 5290 1 1 5 GLN C C 7.563 2.357 -6.270 1.00 . A A . 5 GLN C 1 1 10 5291 1 1 5 GLN CA C 6.749 1.091 -6.511 1.00 . A A . 5 GLN CA 1 1 10 5292 1 1 5 GLN CB C 5.329 1.272 -5.972 1.00 . A A . 5 GLN CB 1 1 10 5293 1 1 5 GLN CD C 2.949 0.439 -6.122 1.00 . A A . 5 GLN CD 1 1 10 5294 1 1 5 GLN CG C 4.418 0.086 -6.244 1.00 . A A . 5 GLN CG 1 1 10 5295 1 1 5 GLN H H 7.006 -0.428 -5.060 1.00 . A A . 5 GLN H 1 1 10 5296 1 1 5 GLN HA H 6.699 0.906 -7.574 1.00 . A A . 5 GLN HA 1 1 10 5297 1 1 5 GLN HB2 H 5.379 1.423 -4.904 1.00 . A A . 5 GLN HB2 1 1 10 5298 1 1 5 GLN HB3 H 4.892 2.147 -6.430 1.00 . A A . 5 GLN HB3 1 1 10 5299 1 1 5 GLN HE21 H 2.565 -0.459 -7.854 1.00 . A A . 5 GLN HE21 1 1 10 5300 1 1 5 GLN HE22 H 1.206 0.251 -7.058 1.00 . A A . 5 GLN HE22 1 1 10 5301 1 1 5 GLN HG2 H 4.605 -0.272 -7.245 1.00 . A A . 5 GLN HG2 1 1 10 5302 1 1 5 GLN HG3 H 4.646 -0.696 -5.535 1.00 . A A . 5 GLN HG3 1 1 10 5303 1 1 5 GLN N N 7.384 -0.063 -5.886 1.00 . A A . 5 GLN N 1 1 10 5304 1 1 5 GLN NE2 N 2.160 0.037 -7.111 1.00 . A A . 5 GLN NE2 1 1 10 5305 1 1 5 GLN O O 8.324 2.462 -5.308 1.00 . A A . 5 GLN O 1 1 10 5306 1 1 5 GLN OE1 O 2.528 1.065 -5.149 1.00 . A A . 5 GLN OE1 1 1 10 5307 1 1 6 PRO C C 7.630 5.471 -5.900 1.00 . A A . 6 PRO C 1 1 10 5308 1 1 6 PRO CA C 8.114 4.622 -7.070 1.00 . A A . 6 PRO CA 1 1 10 5309 1 1 6 PRO CB C 7.789 5.308 -8.399 1.00 . A A . 6 PRO CB 1 1 10 5310 1 1 6 PRO CD C 6.512 3.288 -8.336 1.00 . A A . 6 PRO CD 1 1 10 5311 1 1 6 PRO CG C 6.494 4.709 -8.828 1.00 . A A . 6 PRO CG 1 1 10 5312 1 1 6 PRO HA H 9.182 4.476 -6.990 1.00 . A A . 6 PRO HA 1 1 10 5313 1 1 6 PRO HB2 H 7.701 6.374 -8.245 1.00 . A A . 6 PRO HB2 1 1 10 5314 1 1 6 PRO HB3 H 8.573 5.106 -9.114 1.00 . A A . 6 PRO HB3 1 1 10 5315 1 1 6 PRO HD2 H 5.519 2.975 -8.051 1.00 . A A . 6 PRO HD2 1 1 10 5316 1 1 6 PRO HD3 H 6.914 2.632 -9.094 1.00 . A A . 6 PRO HD3 1 1 10 5317 1 1 6 PRO HG2 H 5.674 5.250 -8.382 1.00 . A A . 6 PRO HG2 1 1 10 5318 1 1 6 PRO HG3 H 6.419 4.732 -9.905 1.00 . A A . 6 PRO HG3 1 1 10 5319 1 1 6 PRO N N 7.402 3.344 -7.165 1.00 . A A . 6 PRO N 1 1 10 5320 1 1 6 PRO O O 6.801 6.364 -6.070 1.00 . A A . 6 PRO O 1 1 10 5321 1 1 7 GLY C C 7.711 5.066 -2.287 1.00 . A A . 7 GLY C 1 1 10 5322 1 1 7 GLY CA C 7.760 5.932 -3.530 1.00 . A A . 7 GLY CA 1 1 10 5323 1 1 7 GLY H H 8.809 4.462 -4.635 1.00 . A A . 7 GLY H 1 1 10 5324 1 1 7 GLY HA2 H 8.468 6.731 -3.372 1.00 . A A . 7 GLY HA2 1 1 10 5325 1 1 7 GLY HA3 H 6.782 6.359 -3.696 1.00 . A A . 7 GLY HA3 1 1 10 5326 1 1 7 GLY N N 8.152 5.185 -4.711 1.00 . A A . 7 GLY N 1 1 10 5327 1 1 7 GLY O O 7.933 5.549 -1.176 1.00 . A A . 7 GLY O 1 1 10 5328 1 1 8 CYS C C 8.651 2.092 -1.185 1.00 . A A . 8 CYS C 1 1 10 5329 1 1 8 CYS CA C 7.336 2.848 -1.357 1.00 . A A . 8 CYS CA 1 1 10 5330 1 1 8 CYS CB C 6.191 1.858 -1.576 1.00 . A A . 8 CYS CB 1 1 10 5331 1 1 8 CYS H H 7.249 3.458 -3.382 1.00 . A A . 8 CYS H 1 1 10 5332 1 1 8 CYS HA H 7.143 3.417 -0.460 1.00 . A A . 8 CYS HA 1 1 10 5333 1 1 8 CYS HB2 H 5.416 2.339 -2.156 1.00 . A A . 8 CYS HB2 1 1 10 5334 1 1 8 CYS HB3 H 6.563 1.003 -2.120 1.00 . A A . 8 CYS HB3 1 1 10 5335 1 1 8 CYS N N 7.417 3.784 -2.472 1.00 . A A . 8 CYS N 1 1 10 5336 1 1 8 CYS O O 9.449 1.994 -2.116 1.00 . A A . 8 CYS O 1 1 10 5337 1 1 8 CYS SG S 5.430 1.248 -0.037 1.00 . A A . 8 CYS SG 1 1 10 5338 1 1 9 GLY C C 10.161 0.333 1.720 1.00 . A A . 9 GLY C 1 1 10 5339 1 1 9 GLY CA C 10.086 0.819 0.286 1.00 . A A . 9 GLY CA 1 1 10 5340 1 1 9 GLY H H 8.197 1.670 0.719 1.00 . A A . 9 GLY H 1 1 10 5341 1 1 9 GLY HA2 H 10.132 -0.034 -0.375 1.00 . A A . 9 GLY HA2 1 1 10 5342 1 1 9 GLY HA3 H 10.934 1.459 0.091 1.00 . A A . 9 GLY HA3 1 1 10 5343 1 1 9 GLY N N 8.868 1.559 0.014 1.00 . A A . 9 GLY N 1 1 10 5344 1 1 9 GLY O O 9.222 0.517 2.495 1.00 . A A . 9 GLY O 1 1 10 5345 1 1 10 HIS C C 11.615 0.337 4.427 1.00 . A A . 10 HIS C 1 1 10 5346 1 1 10 HIS CA C 11.474 -0.805 3.426 1.00 . A A . 10 HIS CA 1 1 10 5347 1 1 10 HIS CB C 12.710 -1.703 3.480 1.00 . A A . 10 HIS CB 1 1 10 5348 1 1 10 HIS CD2 C 11.638 -3.315 5.206 1.00 . A A . 10 HIS CD2 1 1 10 5349 1 1 10 HIS CE1 C 13.476 -4.031 6.161 1.00 . A A . 10 HIS CE1 1 1 10 5350 1 1 10 HIS CG C 12.679 -2.699 4.598 1.00 . A A . 10 HIS CG 1 1 10 5351 1 1 10 HIS H H 11.993 -0.405 1.412 1.00 . A A . 10 HIS H 1 1 10 5352 1 1 10 HIS HA H 10.604 -1.389 3.685 1.00 . A A . 10 HIS HA 1 1 10 5353 1 1 10 HIS HB2 H 12.792 -2.249 2.552 1.00 . A A . 10 HIS HB2 1 1 10 5354 1 1 10 HIS HB3 H 13.589 -1.087 3.608 1.00 . A A . 10 HIS HB3 1 1 10 5355 1 1 10 HIS HD1 H 14.735 -2.909 5.003 1.00 . A A . 10 HIS HD1 1 1 10 5356 1 1 10 HIS HD2 H 10.590 -3.184 4.973 1.00 . A A . 10 HIS HD2 1 1 10 5357 1 1 10 HIS HE1 H 14.158 -4.559 6.811 1.00 . A A . 10 HIS HE1 1 1 10 5358 1 1 10 HIS N N 11.281 -0.290 2.075 1.00 . A A . 10 HIS N 1 1 10 5359 1 1 10 HIS ND1 N 13.816 -3.168 5.220 1.00 . A A . 10 HIS ND1 1 1 10 5360 1 1 10 HIS NE2 N 12.160 -4.137 6.173 1.00 . A A . 10 HIS NE2 1 1 10 5361 1 1 10 HIS O O 12.499 1.185 4.298 1.00 . A A . 10 HIS O 1 1 10 5362 1 1 11 CYS C C 12.063 1.334 7.250 1.00 . A A . 11 CYS C 1 1 10 5363 1 1 11 CYS CA C 10.764 1.391 6.450 1.00 . A A . 11 CYS CA 1 1 10 5364 1 1 11 CYS CB C 9.566 1.240 7.389 1.00 . A A . 11 CYS CB 1 1 10 5365 1 1 11 CYS H H 10.057 -0.350 5.476 1.00 . A A . 11 CYS H 1 1 10 5366 1 1 11 CYS HA H 10.704 2.348 5.954 1.00 . A A . 11 CYS HA 1 1 10 5367 1 1 11 CYS HB2 H 9.531 2.091 8.054 1.00 . A A . 11 CYS HB2 1 1 10 5368 1 1 11 CYS HB3 H 8.660 1.210 6.802 1.00 . A A . 11 CYS HB3 1 1 10 5369 1 1 11 CYS N N 10.739 0.353 5.426 1.00 . A A . 11 CYS N 1 1 10 5370 1 1 11 CYS O O 12.810 0.359 7.171 1.00 . A A . 11 CYS O 1 1 10 5371 1 1 11 CYS SG S 9.612 -0.263 8.417 1.00 . A A . 11 CYS SG 1 1 10 5372 1 1 12 SER C C 13.306 3.323 10.068 1.00 . A A . 12 SER C 1 1 10 5373 1 1 12 SER CA C 13.532 2.457 8.832 1.00 . A A . 12 SER CA 1 1 10 5374 1 1 12 SER CB C 14.693 3.018 8.008 1.00 . A A . 12 SER CB 1 1 10 5375 1 1 12 SER H H 11.688 3.132 8.040 1.00 . A A . 12 SER H 1 1 10 5376 1 1 12 SER HA H 13.778 1.455 9.149 1.00 . A A . 12 SER HA 1 1 10 5377 1 1 12 SER HB2 H 14.364 3.899 7.480 1.00 . A A . 12 SER HB2 1 1 10 5378 1 1 12 SER HB3 H 15.508 3.278 8.669 1.00 . A A . 12 SER HB3 1 1 10 5379 1 1 12 SER HG H 15.629 2.516 6.362 1.00 . A A . 12 SER HG 1 1 10 5380 1 1 12 SER N N 12.323 2.386 8.020 1.00 . A A . 12 SER N 1 1 10 5381 1 1 12 SER O O 12.538 4.285 10.033 1.00 . A A . 12 SER O 1 1 10 5382 1 1 12 SER OG O 15.156 2.066 7.065 1.00 . A A . 12 SER OG 1 1 10 5383 1 1 13 ARG C C 13.781 5.218 12.140 1.00 . A A . 13 ARG C 1 1 10 5384 1 1 13 ARG CA C 13.853 3.718 12.406 1.00 . A A . 13 ARG CA 1 1 10 5385 1 1 13 ARG CB C 15.032 3.409 13.331 1.00 . A A . 13 ARG CB 1 1 10 5386 1 1 13 ARG CD C 15.076 1.943 15.372 1.00 . A A . 13 ARG CD 1 1 10 5387 1 1 13 ARG CG C 15.039 1.981 13.853 1.00 . A A . 13 ARG CG 1 1 10 5388 1 1 13 ARG CZ C 17.196 0.770 15.784 1.00 . A A . 13 ARG CZ 1 1 10 5389 1 1 13 ARG H H 14.577 2.198 11.124 1.00 . A A . 13 ARG H 1 1 10 5390 1 1 13 ARG HA H 12.938 3.405 12.887 1.00 . A A . 13 ARG HA 1 1 10 5391 1 1 13 ARG HB2 H 15.952 3.576 12.791 1.00 . A A . 13 ARG HB2 1 1 10 5392 1 1 13 ARG HB3 H 14.994 4.078 14.177 1.00 . A A . 13 ARG HB3 1 1 10 5393 1 1 13 ARG HD2 H 15.504 2.867 15.732 1.00 . A A . 13 ARG HD2 1 1 10 5394 1 1 13 ARG HD3 H 14.066 1.847 15.741 1.00 . A A . 13 ARG HD3 1 1 10 5395 1 1 13 ARG HE H 15.395 0.082 16.295 1.00 . A A . 13 ARG HE 1 1 10 5396 1 1 13 ARG HG2 H 14.145 1.479 13.513 1.00 . A A . 13 ARG HG2 1 1 10 5397 1 1 13 ARG HG3 H 15.909 1.471 13.467 1.00 . A A . 13 ARG HG3 1 1 10 5398 1 1 13 ARG HH11 H 17.379 2.555 14.857 1.00 . A A . 13 ARG HH11 1 1 10 5399 1 1 13 ARG HH12 H 18.866 1.718 15.154 1.00 . A A . 13 ARG HH12 1 1 10 5400 1 1 13 ARG HH21 H 17.347 -1.031 16.691 1.00 . A A . 13 ARG HH21 1 1 10 5401 1 1 13 ARG HH22 H 18.847 -0.322 16.196 1.00 . A A . 13 ARG HH22 1 1 10 5402 1 1 13 ARG N N 13.980 2.974 11.158 1.00 . A A . 13 ARG N 1 1 10 5403 1 1 13 ARG NE N 15.872 0.826 15.873 1.00 . A A . 13 ARG NE 1 1 10 5404 1 1 13 ARG NH1 N 17.869 1.762 15.218 1.00 . A A . 13 ARG NH1 1 1 10 5405 1 1 13 ARG NH2 N 17.851 -0.281 16.263 1.00 . A A . 13 ARG NH2 1 1 10 5406 1 1 13 ARG O O 14.397 5.739 11.209 1.00 . A A . 13 ARG O 1 1 10 5407 1 1 14 PRO C C 11.117 4.454 13.607 1.00 . A A . 14 PRO C 1 1 10 5408 1 1 14 PRO CA C 12.274 5.323 14.086 1.00 . A A . 14 PRO CA 1 1 10 5409 1 1 14 PRO CB C 11.748 6.531 14.866 1.00 . A A . 14 PRO CB 1 1 10 5410 1 1 14 PRO CD C 12.802 7.387 12.899 1.00 . A A . 14 PRO CD 1 1 10 5411 1 1 14 PRO CG C 11.671 7.627 13.860 1.00 . A A . 14 PRO CG 1 1 10 5412 1 1 14 PRO HA H 12.924 4.738 14.720 1.00 . A A . 14 PRO HA 1 1 10 5413 1 1 14 PRO HB2 H 10.775 6.301 15.277 1.00 . A A . 14 PRO HB2 1 1 10 5414 1 1 14 PRO HB3 H 12.433 6.775 15.664 1.00 . A A . 14 PRO HB3 1 1 10 5415 1 1 14 PRO HD2 H 12.518 7.684 11.900 1.00 . A A . 14 PRO HD2 1 1 10 5416 1 1 14 PRO HD3 H 13.686 7.921 13.216 1.00 . A A . 14 PRO HD3 1 1 10 5417 1 1 14 PRO HG2 H 10.724 7.585 13.343 1.00 . A A . 14 PRO HG2 1 1 10 5418 1 1 14 PRO HG3 H 11.791 8.582 14.349 1.00 . A A . 14 PRO HG3 1 1 10 5419 1 1 14 PRO N N 13.012 5.932 12.975 1.00 . A A . 14 PRO N 1 1 10 5420 1 1 14 PRO O O 10.245 4.078 14.389 1.00 . A A . 14 PRO O 1 1 10 5421 1 1 15 ASN C C 10.380 1.828 11.907 1.00 . A A . 15 ASN C 1 1 10 5422 1 1 15 ASN CA C 10.066 3.311 11.732 1.00 . A A . 15 ASN CA 1 1 10 5423 1 1 15 ASN CB C 9.898 3.637 10.246 1.00 . A A . 15 ASN CB 1 1 10 5424 1 1 15 ASN CG C 10.160 5.099 9.942 1.00 . A A . 15 ASN CG 1 1 10 5425 1 1 15 ASN H H 11.839 4.467 11.742 1.00 . A A . 15 ASN H 1 1 10 5426 1 1 15 ASN HA H 9.144 3.535 12.247 1.00 . A A . 15 ASN HA 1 1 10 5427 1 1 15 ASN HB2 H 10.592 3.040 9.673 1.00 . A A . 15 ASN HB2 1 1 10 5428 1 1 15 ASN HB3 H 8.889 3.400 9.943 1.00 . A A . 15 ASN HB3 1 1 10 5429 1 1 15 ASN HD21 H 10.733 4.637 8.095 1.00 . A A . 15 ASN HD21 1 1 10 5430 1 1 15 ASN HD22 H 10.781 6.316 8.498 1.00 . A A . 15 ASN HD22 1 1 10 5431 1 1 15 ASN N N 11.116 4.137 12.316 1.00 . A A . 15 ASN N 1 1 10 5432 1 1 15 ASN ND2 N 10.603 5.379 8.722 1.00 . A A . 15 ASN ND2 1 1 10 5433 1 1 15 ASN O O 11.538 1.416 11.837 1.00 . A A . 15 ASN O 1 1 10 5434 1 1 15 ASN OD1 O 9.967 5.966 10.794 1.00 . A A . 15 ASN OD1 1 1 10 5435 1 1 16 TYR C C 8.345 -1.172 11.692 1.00 . A A . 16 TYR C 1 1 10 5436 1 1 16 TYR CA C 9.505 -0.405 12.319 1.00 . A A . 16 TYR CA 1 1 10 5437 1 1 16 TYR CB C 9.606 -0.739 13.808 1.00 . A A . 16 TYR CB 1 1 10 5438 1 1 16 TYR CD1 C 7.687 0.464 14.924 1.00 . A A . 16 TYR CD1 1 1 10 5439 1 1 16 TYR CD2 C 7.602 -1.915 14.797 1.00 . A A . 16 TYR CD2 1 1 10 5440 1 1 16 TYR CE1 C 6.470 0.477 15.578 1.00 . A A . 16 TYR CE1 1 1 10 5441 1 1 16 TYR CE2 C 6.384 -1.911 15.448 1.00 . A A . 16 TYR CE2 1 1 10 5442 1 1 16 TYR CG C 8.274 -0.730 14.523 1.00 . A A . 16 TYR CG 1 1 10 5443 1 1 16 TYR CZ C 5.822 -0.713 15.837 1.00 . A A . 16 TYR CZ 1 1 10 5444 1 1 16 TYR H H 8.442 1.419 12.177 1.00 . A A . 16 TYR H 1 1 10 5445 1 1 16 TYR HA H 10.422 -0.700 11.831 1.00 . A A . 16 TYR HA 1 1 10 5446 1 1 16 TYR HB2 H 10.036 -1.722 13.921 1.00 . A A . 16 TYR HB2 1 1 10 5447 1 1 16 TYR HB3 H 10.246 -0.014 14.290 1.00 . A A . 16 TYR HB3 1 1 10 5448 1 1 16 TYR HD1 H 8.196 1.394 14.720 1.00 . A A . 16 TYR HD1 1 1 10 5449 1 1 16 TYR HD2 H 8.045 -2.852 14.491 1.00 . A A . 16 TYR HD2 1 1 10 5450 1 1 16 TYR HE1 H 6.029 1.414 15.882 1.00 . A A . 16 TYR HE1 1 1 10 5451 1 1 16 TYR HE2 H 5.877 -2.843 15.652 1.00 . A A . 16 TYR HE2 1 1 10 5452 1 1 16 TYR HH H 4.682 -0.187 17.292 1.00 . A A . 16 TYR HH 1 1 10 5453 1 1 16 TYR N N 9.341 1.032 12.132 1.00 . A A . 16 TYR N 1 1 10 5454 1 1 16 TYR O O 7.489 -0.590 11.025 1.00 . A A . 16 TYR O 1 1 10 5455 1 1 16 TYR OH O 4.610 -0.706 16.488 1.00 . A A . 16 TYR OH 1 1 10 5456 1 1 17 CYS C C 6.095 -3.428 12.339 1.00 . A A . 17 CYS C 1 1 10 5457 1 1 17 CYS CA C 7.270 -3.331 11.370 1.00 . A A . 17 CYS CA 1 1 10 5458 1 1 17 CYS CB C 7.815 -4.730 11.072 1.00 . A A . 17 CYS CB 1 1 10 5459 1 1 17 CYS H H 9.034 -2.889 12.452 1.00 . A A . 17 CYS H 1 1 10 5460 1 1 17 CYS HA H 6.924 -2.886 10.449 1.00 . A A . 17 CYS HA 1 1 10 5461 1 1 17 CYS HB2 H 8.655 -4.926 11.723 1.00 . A A . 17 CYS HB2 1 1 10 5462 1 1 17 CYS HB3 H 7.041 -5.458 11.263 1.00 . A A . 17 CYS HB3 1 1 10 5463 1 1 17 CYS N N 8.323 -2.482 11.911 1.00 . A A . 17 CYS N 1 1 10 5464 1 1 17 CYS O O 6.280 -3.680 13.529 1.00 . A A . 17 CYS O 1 1 10 5465 1 1 17 CYS SG S 8.381 -4.957 9.355 1.00 . A A . 17 CYS SG 1 1 10 5466 1 1 18 GLU C C 2.506 -3.829 11.837 1.00 . A A . 18 GLU C 1 1 10 5467 1 1 18 GLU CA C 3.685 -3.288 12.641 1.00 . A A . 18 GLU CA 1 1 10 5468 1 1 18 GLU CB C 3.345 -1.903 13.196 1.00 . A A . 18 GLU CB 1 1 10 5469 1 1 18 GLU CD C 2.813 -3.149 15.328 1.00 . A A . 18 GLU CD 1 1 10 5470 1 1 18 GLU CG C 2.505 -1.943 14.461 1.00 . A A . 18 GLU CG 1 1 10 5471 1 1 18 GLU H H 4.806 -3.026 10.865 1.00 . A A . 18 GLU H 1 1 10 5472 1 1 18 GLU HA H 3.880 -3.957 13.466 1.00 . A A . 18 GLU HA 1 1 10 5473 1 1 18 GLU HB2 H 4.264 -1.380 13.414 1.00 . A A . 18 GLU HB2 1 1 10 5474 1 1 18 GLU HB3 H 2.799 -1.352 12.444 1.00 . A A . 18 GLU HB3 1 1 10 5475 1 1 18 GLU HG2 H 2.698 -1.049 15.035 1.00 . A A . 18 GLU HG2 1 1 10 5476 1 1 18 GLU HG3 H 1.461 -1.973 14.185 1.00 . A A . 18 GLU HG3 1 1 10 5477 1 1 18 GLU N N 4.888 -3.224 11.821 1.00 . A A . 18 GLU N 1 1 10 5478 1 1 18 GLU O O 2.065 -3.211 10.869 1.00 . A A . 18 GLU O 1 1 10 5479 1 1 18 GLU OE1 O 3.751 -3.065 16.148 1.00 . A A . 18 GLU OE1 1 1 10 5480 1 1 18 GLU OE2 O 2.116 -4.175 15.185 1.00 . A A . 18 GLU OE2 1 1 10 5481 1 1 19 GLY C C -0.451 -5.003 11.975 1.00 . A A . 19 GLY C 1 1 10 5482 1 1 19 GLY CA C 0.879 -5.595 11.553 1.00 . A A . 19 GLY CA 1 1 10 5483 1 1 19 GLY H H 2.393 -5.437 13.025 1.00 . A A . 19 GLY H 1 1 10 5484 1 1 19 GLY HA2 H 1.005 -5.450 10.491 1.00 . A A . 19 GLY HA2 1 1 10 5485 1 1 19 GLY HA3 H 0.871 -6.654 11.763 1.00 . A A . 19 GLY HA3 1 1 10 5486 1 1 19 GLY N N 2.001 -4.989 12.246 1.00 . A A . 19 GLY N 1 1 10 5487 1 1 19 GLY O O -1.472 -5.226 11.325 1.00 . A A . 19 GLY O 1 1 10 5488 1 1 20 ALA C C -1.433 -2.139 13.857 1.00 . A A . 20 ALA C 1 1 10 5489 1 1 20 ALA CA C -1.655 -3.621 13.576 1.00 . A A . 20 ALA CA 1 1 10 5490 1 1 20 ALA CB C -2.130 -4.334 14.833 1.00 . A A . 20 ALA CB 1 1 10 5491 1 1 20 ALA H H 0.404 -4.106 13.543 1.00 . A A . 20 ALA H 1 1 10 5492 1 1 20 ALA HA H -2.423 -3.722 12.822 1.00 . A A . 20 ALA HA 1 1 10 5493 1 1 20 ALA HB1 H -3.210 -4.338 14.857 1.00 . A A . 20 ALA HB1 1 1 10 5494 1 1 20 ALA HB2 H -1.766 -5.350 14.830 1.00 . A A . 20 ALA HB2 1 1 10 5495 1 1 20 ALA HB3 H -1.753 -3.818 15.703 1.00 . A A . 20 ALA HB3 1 1 10 5496 1 1 20 ALA N N -0.441 -4.247 13.068 1.00 . A A . 20 ALA N 1 1 10 5497 1 1 20 ALA O O -0.488 -1.536 13.348 1.00 . A A . 20 ALA O 1 1 10 5498 1 1 21 ARG C C -0.928 0.132 15.802 1.00 . A A . 21 ARG C 1 1 10 5499 1 1 21 ARG CA C -2.208 -0.145 15.018 1.00 . A A . 21 ARG CA 1 1 10 5500 1 1 21 ARG CB C -3.425 0.288 15.838 1.00 . A A . 21 ARG CB 1 1 10 5501 1 1 21 ARG CD C -5.267 1.849 15.142 1.00 . A A . 21 ARG CD 1 1 10 5502 1 1 21 ARG CG C -4.690 0.448 15.012 1.00 . A A . 21 ARG CG 1 1 10 5503 1 1 21 ARG CZ C -6.607 3.423 13.811 1.00 . A A . 21 ARG CZ 1 1 10 5504 1 1 21 ARG H H -3.040 -2.091 15.046 1.00 . A A . 21 ARG H 1 1 10 5505 1 1 21 ARG HA H -2.184 0.421 14.100 1.00 . A A . 21 ARG HA 1 1 10 5506 1 1 21 ARG HB2 H -3.612 -0.453 16.602 1.00 . A A . 21 ARG HB2 1 1 10 5507 1 1 21 ARG HB3 H -3.207 1.233 16.311 1.00 . A A . 21 ARG HB3 1 1 10 5508 1 1 21 ARG HD2 H -5.881 1.890 16.029 1.00 . A A . 21 ARG HD2 1 1 10 5509 1 1 21 ARG HD3 H -4.452 2.552 15.236 1.00 . A A . 21 ARG HD3 1 1 10 5510 1 1 21 ARG HE H -6.238 1.529 13.306 1.00 . A A . 21 ARG HE 1 1 10 5511 1 1 21 ARG HG2 H -4.457 0.262 13.974 1.00 . A A . 21 ARG HG2 1 1 10 5512 1 1 21 ARG HG3 H -5.424 -0.267 15.352 1.00 . A A . 21 ARG HG3 1 1 10 5513 1 1 21 ARG HH11 H -5.859 4.183 15.528 1.00 . A A . 21 ARG HH11 1 1 10 5514 1 1 21 ARG HH12 H -6.805 5.282 14.580 1.00 . A A . 21 ARG HH12 1 1 10 5515 1 1 21 ARG HH21 H -7.486 2.967 12.049 1.00 . A A . 21 ARG HH21 1 1 10 5516 1 1 21 ARG HH22 H -7.731 4.589 12.602 1.00 . A A . 21 ARG HH22 1 1 10 5517 1 1 21 ARG N N -2.308 -1.558 14.671 1.00 . A A . 21 ARG N 1 1 10 5518 1 1 21 ARG NE N -6.079 2.217 13.985 1.00 . A A . 21 ARG NE 1 1 10 5519 1 1 21 ARG NH1 N -6.408 4.374 14.714 1.00 . A A . 21 ARG NH1 1 1 10 5520 1 1 21 ARG NH2 N -7.334 3.681 12.732 1.00 . A A . 21 ARG NH2 1 1 10 5521 1 1 21 ARG O O -0.623 -0.556 16.776 1.00 . A A . 21 ARG O 1 1 10 5522 1 1 22 CYS C C 0.838 1.767 17.516 1.00 . A A . 22 CYS C 1 1 10 5523 1 1 22 CYS CA C 1.063 1.513 16.028 1.00 . A A . 22 CYS CA 1 1 10 5524 1 1 22 CYS CB C 1.662 2.759 15.372 1.00 . A A . 22 CYS CB 1 1 10 5525 1 1 22 CYS H H -0.480 1.656 14.587 1.00 . A A . 22 CYS H 1 1 10 5526 1 1 22 CYS HA H 1.754 0.691 15.916 1.00 . A A . 22 CYS HA 1 1 10 5527 1 1 22 CYS HB2 H 1.182 3.637 15.780 1.00 . A A . 22 CYS HB2 1 1 10 5528 1 1 22 CYS HB3 H 2.719 2.798 15.590 1.00 . A A . 22 CYS HB3 1 1 10 5529 1 1 22 CYS N N -0.184 1.144 15.369 1.00 . A A . 22 CYS N 1 1 10 5530 1 1 22 CYS O O -0.286 2.017 17.949 1.00 . A A . 22 CYS O 1 1 10 5531 1 1 22 CYS SG S 1.466 2.813 13.562 1.00 . A A . 22 CYS SG 1 1 10 5532 1 1 23 GLU C C 1.590 3.396 20.041 1.00 . A A . 23 GLU C 1 1 10 5533 1 1 23 GLU CA C 1.834 1.922 19.731 1.00 . A A . 23 GLU CA 1 1 10 5534 1 1 23 GLU CB C 3.120 1.451 20.415 1.00 . A A . 23 GLU CB 1 1 10 5535 1 1 23 GLU CD C 4.463 -0.678 20.620 1.00 . A A . 23 GLU CD 1 1 10 5536 1 1 23 GLU CG C 3.824 0.324 19.678 1.00 . A A . 23 GLU CG 1 1 10 5537 1 1 23 GLU H H 2.784 1.496 17.887 1.00 . A A . 23 GLU H 1 1 10 5538 1 1 23 GLU HA H 1.005 1.344 20.109 1.00 . A A . 23 GLU HA 1 1 10 5539 1 1 23 GLU HB2 H 3.801 2.287 20.488 1.00 . A A . 23 GLU HB2 1 1 10 5540 1 1 23 GLU HB3 H 2.878 1.107 21.410 1.00 . A A . 23 GLU HB3 1 1 10 5541 1 1 23 GLU HG2 H 3.103 -0.193 19.063 1.00 . A A . 23 GLU HG2 1 1 10 5542 1 1 23 GLU HG3 H 4.594 0.747 19.050 1.00 . A A . 23 GLU HG3 1 1 10 5543 1 1 23 GLU N N 1.915 1.700 18.292 1.00 . A A . 23 GLU N 1 1 10 5544 1 1 23 GLU O O 1.880 4.269 19.224 1.00 . A A . 23 GLU O 1 1 10 5545 1 1 23 GLU OE1 O 3.807 -1.062 21.611 1.00 . A A . 23 GLU OE1 1 1 10 5546 1 1 23 GLU OE2 O 5.618 -1.079 20.366 1.00 . A A . 23 GLU OE2 1 1 10 5547 1 1 24 SER C C 2.019 5.899 21.564 1.00 . A A . 24 SER C 1 1 10 5548 1 1 24 SER CA C 0.767 5.031 21.645 1.00 . A A . 24 SER CA 1 1 10 5549 1 1 24 SER CB C 0.214 5.045 23.072 1.00 . A A . 24 SER CB 1 1 10 5550 1 1 24 SER H H 0.846 2.924 21.836 1.00 . A A . 24 SER H 1 1 10 5551 1 1 24 SER HA H 0.021 5.432 20.975 1.00 . A A . 24 SER HA 1 1 10 5552 1 1 24 SER HB2 H 0.727 4.302 23.661 1.00 . A A . 24 SER HB2 1 1 10 5553 1 1 24 SER HB3 H 0.372 6.022 23.506 1.00 . A A . 24 SER HB3 1 1 10 5554 1 1 24 SER HG H -1.619 5.356 23.690 1.00 . A A . 24 SER HG 1 1 10 5555 1 1 24 SER N N 1.055 3.664 21.228 1.00 . A A . 24 SER N 1 1 10 5556 1 1 24 SER O O 2.707 6.111 22.562 1.00 . A A . 24 SER O 1 1 10 5557 1 1 24 SER OG O -1.174 4.760 23.084 1.00 . A A . 24 SER OG 1 1 10 5558 1 1 25 GLY C C 3.935 7.273 18.731 1.00 . A A . 25 GLY C 1 1 10 5559 1 1 25 GLY CA C 3.477 7.238 20.175 1.00 . A A . 25 GLY CA 1 1 10 5560 1 1 25 GLY H H 1.723 6.196 19.606 1.00 . A A . 25 GLY H 1 1 10 5561 1 1 25 GLY HA2 H 3.241 8.243 20.492 1.00 . A A . 25 GLY HA2 1 1 10 5562 1 1 25 GLY HA3 H 4.282 6.858 20.787 1.00 . A A . 25 GLY HA3 1 1 10 5563 1 1 25 GLY N N 2.308 6.399 20.366 1.00 . A A . 25 GLY N 1 1 10 5564 1 1 25 GLY O O 4.449 8.288 18.260 1.00 . A A . 25 GLY O 1 1 10 5565 1 1 26 PHE C C 2.979 6.378 15.703 1.00 . A A . 26 PHE C 1 1 10 5566 1 1 26 PHE CA C 4.153 6.069 16.627 1.00 . A A . 26 PHE CA 1 1 10 5567 1 1 26 PHE CB C 4.701 4.673 16.324 1.00 . A A . 26 PHE CB 1 1 10 5568 1 1 26 PHE CD1 C 6.060 4.451 18.422 1.00 . A A . 26 PHE CD1 1 1 10 5569 1 1 26 PHE CD2 C 7.115 3.987 16.334 1.00 . A A . 26 PHE CD2 1 1 10 5570 1 1 26 PHE CE1 C 7.239 4.167 19.085 1.00 . A A . 26 PHE CE1 1 1 10 5571 1 1 26 PHE CE2 C 8.297 3.702 16.992 1.00 . A A . 26 PHE CE2 1 1 10 5572 1 1 26 PHE CG C 5.984 4.364 17.041 1.00 . A A . 26 PHE CG 1 1 10 5573 1 1 26 PHE CZ C 8.359 3.793 18.368 1.00 . A A . 26 PHE CZ 1 1 10 5574 1 1 26 PHE H H 3.337 5.385 18.458 1.00 . A A . 26 PHE H 1 1 10 5575 1 1 26 PHE HA H 4.931 6.797 16.457 1.00 . A A . 26 PHE HA 1 1 10 5576 1 1 26 PHE HB2 H 3.971 3.935 16.619 1.00 . A A . 26 PHE HB2 1 1 10 5577 1 1 26 PHE HB3 H 4.884 4.589 15.263 1.00 . A A . 26 PHE HB3 1 1 10 5578 1 1 26 PHE HD1 H 5.184 4.744 18.983 1.00 . A A . 26 PHE HD1 1 1 10 5579 1 1 26 PHE HD2 H 7.068 3.916 15.257 1.00 . A A . 26 PHE HD2 1 1 10 5580 1 1 26 PHE HE1 H 7.284 4.239 20.161 1.00 . A A . 26 PHE HE1 1 1 10 5581 1 1 26 PHE HE2 H 9.171 3.410 16.429 1.00 . A A . 26 PHE HE2 1 1 10 5582 1 1 26 PHE HZ H 9.281 3.570 18.884 1.00 . A A . 26 PHE HZ 1 1 10 5583 1 1 26 PHE N N 3.752 6.162 18.026 1.00 . A A . 26 PHE N 1 1 10 5584 1 1 26 PHE O O 1.860 6.615 16.160 1.00 . A A . 26 PHE O 1 1 10 5585 1 1 27 HIS C C 2.299 5.681 12.239 1.00 . A A . 27 HIS C 1 1 10 5586 1 1 27 HIS CA C 2.208 6.655 13.410 1.00 . A A . 27 HIS CA 1 1 10 5587 1 1 27 HIS CB C 2.334 8.093 12.904 1.00 . A A . 27 HIS CB 1 1 10 5588 1 1 27 HIS CD2 C 4.648 8.402 11.776 1.00 . A A . 27 HIS CD2 1 1 10 5589 1 1 27 HIS CE1 C 5.627 9.556 13.363 1.00 . A A . 27 HIS CE1 1 1 10 5590 1 1 27 HIS CG C 3.750 8.561 12.776 1.00 . A A . 27 HIS CG 1 1 10 5591 1 1 27 HIS H H 4.153 6.179 14.097 1.00 . A A . 27 HIS H 1 1 10 5592 1 1 27 HIS HA H 1.249 6.534 13.890 1.00 . A A . 27 HIS HA 1 1 10 5593 1 1 27 HIS HB2 H 1.871 8.166 11.931 1.00 . A A . 27 HIS HB2 1 1 10 5594 1 1 27 HIS HB3 H 1.825 8.755 13.590 1.00 . A A . 27 HIS HB3 1 1 10 5595 1 1 27 HIS HD1 H 4.005 9.565 14.611 1.00 . A A . 27 HIS HD1 1 1 10 5596 1 1 27 HIS HD2 H 4.485 7.879 10.844 1.00 . A A . 27 HIS HD2 1 1 10 5597 1 1 27 HIS HE1 H 6.363 10.111 13.925 1.00 . A A . 27 HIS HE1 1 1 10 5598 1 1 27 HIS N N 3.242 6.375 14.400 1.00 . A A . 27 HIS N 1 1 10 5599 1 1 27 HIS ND1 N 4.394 9.287 13.756 1.00 . A A . 27 HIS ND1 1 1 10 5600 1 1 27 HIS NE2 N 5.806 9.029 12.165 1.00 . A A . 27 HIS NE2 1 1 10 5601 1 1 27 HIS O O 3.375 5.464 11.682 1.00 . A A . 27 HIS O 1 1 10 5602 1 1 28 ASP C C 1.504 4.819 9.455 1.00 . A A . 28 ASP C 1 1 10 5603 1 1 28 ASP CA C 1.114 4.147 10.768 1.00 . A A . 28 ASP CA 1 1 10 5604 1 1 28 ASP CB C -0.286 3.543 10.649 1.00 . A A . 28 ASP CB 1 1 10 5605 1 1 28 ASP CG C -0.549 2.956 9.276 1.00 . A A . 28 ASP CG 1 1 10 5606 1 1 28 ASP H H 0.337 5.313 12.356 1.00 . A A . 28 ASP H 1 1 10 5607 1 1 28 ASP HA H 1.819 3.358 10.978 1.00 . A A . 28 ASP HA 1 1 10 5608 1 1 28 ASP HB2 H -0.396 2.758 11.383 1.00 . A A . 28 ASP HB2 1 1 10 5609 1 1 28 ASP HB3 H -1.021 4.312 10.838 1.00 . A A . 28 ASP HB3 1 1 10 5610 1 1 28 ASP N N 1.163 5.098 11.873 1.00 . A A . 28 ASP N 1 1 10 5611 1 1 28 ASP O O 0.772 5.660 8.933 1.00 . A A . 28 ASP O 1 1 10 5612 1 1 28 ASP OD1 O -1.623 3.238 8.705 1.00 . A A . 28 ASP OD1 1 1 10 5613 1 1 28 ASP OD2 O 0.320 2.214 8.773 1.00 . A A . 28 ASP OD2 1 1 10 5614 1 1 29 CYS C C 3.204 3.948 6.581 1.00 . A A . 29 CYS C 1 1 10 5615 1 1 29 CYS CA C 3.154 5.010 7.676 1.00 . A A . 29 CYS CA 1 1 10 5616 1 1 29 CYS CB C 4.545 5.617 7.877 1.00 . A A . 29 CYS CB 1 1 10 5617 1 1 29 CYS H H 3.205 3.768 9.390 1.00 . A A . 29 CYS H 1 1 10 5618 1 1 29 CYS HA H 2.471 5.789 7.374 1.00 . A A . 29 CYS HA 1 1 10 5619 1 1 29 CYS HB2 H 4.971 5.846 6.911 1.00 . A A . 29 CYS HB2 1 1 10 5620 1 1 29 CYS HB3 H 4.452 6.527 8.450 1.00 . A A . 29 CYS HB3 1 1 10 5621 1 1 29 CYS N N 2.664 4.443 8.927 1.00 . A A . 29 CYS N 1 1 10 5622 1 1 29 CYS O O 3.991 4.048 5.640 1.00 . A A . 29 CYS O 1 1 10 5623 1 1 29 CYS SG S 5.712 4.526 8.752 1.00 . A A . 29 CYS SG 1 1 10 5624 1 1 30 GLY C C 2.139 2.388 4.314 1.00 . A A . 30 GLY C 1 1 10 5625 1 1 30 GLY CA C 2.320 1.867 5.725 1.00 . A A . 30 GLY CA 1 1 10 5626 1 1 30 GLY H H 1.752 2.905 7.481 1.00 . A A . 30 GLY H 1 1 10 5627 1 1 30 GLY HA2 H 3.245 1.311 5.777 1.00 . A A . 30 GLY HA2 1 1 10 5628 1 1 30 GLY HA3 H 1.500 1.204 5.960 1.00 . A A . 30 GLY HA3 1 1 10 5629 1 1 30 GLY N N 2.357 2.932 6.710 1.00 . A A . 30 GLY N 1 1 10 5630 1 1 30 GLY O O 2.337 1.656 3.344 1.00 . A A . 30 GLY O 1 1 10 5631 1 1 31 SER C C 2.657 3.886 1.921 1.00 . A A . 31 SER C 1 1 10 5632 1 1 31 SER CA C 1.548 4.275 2.894 1.00 . A A . 31 SER CA 1 1 10 5633 1 1 31 SER CB C 1.484 5.797 3.031 1.00 . A A . 31 SER CB 1 1 10 5634 1 1 31 SER H H 1.619 4.190 5.008 1.00 . A A . 31 SER H 1 1 10 5635 1 1 31 SER HA H 0.605 3.917 2.508 1.00 . A A . 31 SER HA 1 1 10 5636 1 1 31 SER HB2 H 2.445 6.167 3.356 1.00 . A A . 31 SER HB2 1 1 10 5637 1 1 31 SER HB3 H 1.236 6.232 2.074 1.00 . A A . 31 SER HB3 1 1 10 5638 1 1 31 SER HG H 0.622 7.109 4.203 1.00 . A A . 31 SER HG 1 1 10 5639 1 1 31 SER N N 1.761 3.657 4.197 1.00 . A A . 31 SER N 1 1 10 5640 1 1 31 SER O O 2.451 3.072 1.021 1.00 . A A . 31 SER O 1 1 10 5641 1 1 31 SER OG O 0.503 6.183 3.977 1.00 . A A . 31 SER OG 1 1 10 5642 1 1 32 ASP C C 6.017 3.356 1.988 1.00 . A A . 32 ASP C 1 1 10 5643 1 1 32 ASP CA C 4.976 4.191 1.249 1.00 . A A . 32 ASP CA 1 1 10 5644 1 1 32 ASP CB C 5.606 5.494 0.755 1.00 . A A . 32 ASP CB 1 1 10 5645 1 1 32 ASP CG C 5.435 6.631 1.744 1.00 . A A . 32 ASP CG 1 1 10 5646 1 1 32 ASP H H 3.934 5.116 2.844 1.00 . A A . 32 ASP H 1 1 10 5647 1 1 32 ASP HA H 4.620 3.629 0.399 1.00 . A A . 32 ASP HA 1 1 10 5648 1 1 32 ASP HB2 H 6.663 5.338 0.595 1.00 . A A . 32 ASP HB2 1 1 10 5649 1 1 32 ASP HB3 H 5.143 5.780 -0.178 1.00 . A A . 32 ASP HB3 1 1 10 5650 1 1 32 ASP N N 3.833 4.475 2.109 1.00 . A A . 32 ASP N 1 1 10 5651 1 1 32 ASP O O 7.216 3.473 1.733 1.00 . A A . 32 ASP O 1 1 10 5652 1 1 32 ASP OD1 O 5.455 6.365 2.964 1.00 . A A . 32 ASP OD1 1 1 10 5653 1 1 32 ASP OD2 O 5.283 7.787 1.297 1.00 . A A . 32 ASP OD2 1 1 10 5654 1 1 33 HIS C C 5.771 0.330 4.009 1.00 . A A . 33 HIS C 1 1 10 5655 1 1 33 HIS CA C 6.442 1.661 3.683 1.00 . A A . 33 HIS CA 1 1 10 5656 1 1 33 HIS CB C 6.861 2.365 4.973 1.00 . A A . 33 HIS CB 1 1 10 5657 1 1 33 HIS CD2 C 8.490 4.091 3.928 1.00 . A A . 33 HIS CD2 1 1 10 5658 1 1 33 HIS CE1 C 7.807 5.872 5.008 1.00 . A A . 33 HIS CE1 1 1 10 5659 1 1 33 HIS CG C 7.484 3.708 4.748 1.00 . A A . 33 HIS CG 1 1 10 5660 1 1 33 HIS H H 4.585 2.468 3.064 1.00 . A A . 33 HIS H 1 1 10 5661 1 1 33 HIS HA H 7.321 1.469 3.086 1.00 . A A . 33 HIS HA 1 1 10 5662 1 1 33 HIS HB2 H 5.991 2.504 5.598 1.00 . A A . 33 HIS HB2 1 1 10 5663 1 1 33 HIS HB3 H 7.579 1.749 5.496 1.00 . A A . 33 HIS HB3 1 1 10 5664 1 1 33 HIS HD1 H 6.362 4.896 6.079 1.00 . A A . 33 HIS HD1 1 1 10 5665 1 1 33 HIS HD2 H 9.048 3.454 3.255 1.00 . A A . 33 HIS HD2 1 1 10 5666 1 1 33 HIS HE1 H 7.713 6.890 5.355 1.00 . A A . 33 HIS HE1 1 1 10 5667 1 1 33 HIS N N 5.551 2.515 2.906 1.00 . A A . 33 HIS N 1 1 10 5668 1 1 33 HIS ND1 N 7.079 4.847 5.412 1.00 . A A . 33 HIS ND1 1 1 10 5669 1 1 33 HIS NE2 N 8.672 5.440 4.108 1.00 . A A . 33 HIS NE2 1 1 10 5670 1 1 33 HIS O O 4.763 0.290 4.715 1.00 . A A . 33 HIS O 1 1 10 5671 1 1 34 TRP C C 6.793 -2.960 4.475 1.00 . A A . 34 TRP C 1 1 10 5672 1 1 34 TRP CA C 5.791 -2.086 3.728 1.00 . A A . 34 TRP CA 1 1 10 5673 1 1 34 TRP CB C 5.409 -2.746 2.402 1.00 . A A . 34 TRP CB 1 1 10 5674 1 1 34 TRP CD1 C 5.912 -1.626 0.152 1.00 . A A . 34 TRP CD1 1 1 10 5675 1 1 34 TRP CD2 C 7.684 -2.607 1.109 1.00 . A A . 34 TRP CD2 1 1 10 5676 1 1 34 TRP CE2 C 8.092 -2.033 -0.111 1.00 . A A . 34 TRP CE2 1 1 10 5677 1 1 34 TRP CE3 C 8.630 -3.277 1.888 1.00 . A A . 34 TRP CE3 1 1 10 5678 1 1 34 TRP CG C 6.286 -2.334 1.259 1.00 . A A . 34 TRP CG 1 1 10 5679 1 1 34 TRP CH2 C 10.311 -2.775 0.215 1.00 . A A . 34 TRP CH2 1 1 10 5680 1 1 34 TRP CZ2 C 9.405 -2.112 -0.568 1.00 . A A . 34 TRP CZ2 1 1 10 5681 1 1 34 TRP CZ3 C 9.933 -3.355 1.433 1.00 . A A . 34 TRP CZ3 1 1 10 5682 1 1 34 TRP H H 7.138 -0.658 2.936 1.00 . A A . 34 TRP H 1 1 10 5683 1 1 34 TRP HA H 4.903 -1.978 4.334 1.00 . A A . 34 TRP HA 1 1 10 5684 1 1 34 TRP HB2 H 5.480 -3.819 2.507 1.00 . A A . 34 TRP HB2 1 1 10 5685 1 1 34 TRP HB3 H 4.391 -2.479 2.155 1.00 . A A . 34 TRP HB3 1 1 10 5686 1 1 34 TRP HD1 H 4.910 -1.271 -0.032 1.00 . A A . 34 TRP HD1 1 1 10 5687 1 1 34 TRP HE1 H 6.979 -0.963 -1.531 1.00 . A A . 34 TRP HE1 1 1 10 5688 1 1 34 TRP HE3 H 8.358 -3.731 2.830 1.00 . A A . 34 TRP HE3 1 1 10 5689 1 1 34 TRP HH2 H 11.339 -2.861 -0.101 1.00 . A A . 34 TRP HH2 1 1 10 5690 1 1 34 TRP HZ2 H 9.712 -1.670 -1.504 1.00 . A A . 34 TRP HZ2 1 1 10 5691 1 1 34 TRP HZ3 H 10.678 -3.870 2.021 1.00 . A A . 34 TRP HZ3 1 1 10 5692 1 1 34 TRP N N 6.336 -0.754 3.491 1.00 . A A . 34 TRP N 1 1 10 5693 1 1 34 TRP NE1 N 6.993 -1.442 -0.676 1.00 . A A . 34 TRP NE1 1 1 10 5694 1 1 34 TRP O O 7.970 -2.617 4.583 1.00 . A A . 34 TRP O 1 1 10 5695 1 1 35 CYS C C 7.580 -6.195 4.849 1.00 . A A . 35 CYS C 1 1 10 5696 1 1 35 CYS CA C 7.173 -5.013 5.725 1.00 . A A . 35 CYS CA 1 1 10 5697 1 1 35 CYS CB C 6.454 -5.516 6.978 1.00 . A A . 35 CYS CB 1 1 10 5698 1 1 35 CYS H H 5.370 -4.309 4.868 1.00 . A A . 35 CYS H 1 1 10 5699 1 1 35 CYS HA H 8.062 -4.478 6.021 1.00 . A A . 35 CYS HA 1 1 10 5700 1 1 35 CYS HB2 H 5.405 -5.649 6.753 1.00 . A A . 35 CYS HB2 1 1 10 5701 1 1 35 CYS HB3 H 6.877 -6.466 7.270 1.00 . A A . 35 CYS HB3 1 1 10 5702 1 1 35 CYS N N 6.319 -4.090 4.988 1.00 . A A . 35 CYS N 1 1 10 5703 1 1 35 CYS O O 7.094 -6.346 3.728 1.00 . A A . 35 CYS O 1 1 10 5704 1 1 35 CYS SG S 6.575 -4.393 8.407 1.00 . A A . 35 CYS SG 1 1 10 5705 1 1 36 ASP C C 7.771 -9.016 4.105 1.00 . A A . 36 ASP C 1 1 10 5706 1 1 36 ASP CA C 8.944 -8.199 4.637 1.00 . A A . 36 ASP CA 1 1 10 5707 1 1 36 ASP CB C 9.824 -9.070 5.535 1.00 . A A . 36 ASP CB 1 1 10 5708 1 1 36 ASP CG C 11.278 -8.643 5.511 1.00 . A A . 36 ASP CG 1 1 10 5709 1 1 36 ASP H H 8.823 -6.855 6.269 1.00 . A A . 36 ASP H 1 1 10 5710 1 1 36 ASP HA H 9.533 -7.851 3.801 1.00 . A A . 36 ASP HA 1 1 10 5711 1 1 36 ASP HB2 H 9.466 -9.003 6.552 1.00 . A A . 36 ASP HB2 1 1 10 5712 1 1 36 ASP HB3 H 9.762 -10.096 5.203 1.00 . A A . 36 ASP HB3 1 1 10 5713 1 1 36 ASP N N 8.473 -7.029 5.370 1.00 . A A . 36 ASP N 1 1 10 5714 1 1 36 ASP O O 7.815 -9.529 2.988 1.00 . A A . 36 ASP O 1 1 10 5715 1 1 36 ASP OD1 O 11.580 -7.533 5.995 1.00 . A A . 36 ASP OD1 1 1 10 5716 1 1 36 ASP OD2 O 12.116 -9.421 5.007 1.00 . A A . 36 ASP OD2 1 1 10 5717 1 1 37 ALA C C 4.485 -8.976 3.908 1.00 . A A . 37 ALA C 1 1 10 5718 1 1 37 ALA CA C 5.539 -9.889 4.526 1.00 . A A . 37 ALA CA 1 1 10 5719 1 1 37 ALA CB C 4.964 -10.624 5.727 1.00 . A A . 37 ALA CB 1 1 10 5720 1 1 37 ALA H H 6.748 -8.702 5.794 1.00 . A A . 37 ALA H 1 1 10 5721 1 1 37 ALA HA H 5.837 -10.625 3.793 1.00 . A A . 37 ALA HA 1 1 10 5722 1 1 37 ALA HB1 H 4.188 -10.023 6.178 1.00 . A A . 37 ALA HB1 1 1 10 5723 1 1 37 ALA HB2 H 4.548 -11.568 5.406 1.00 . A A . 37 ALA HB2 1 1 10 5724 1 1 37 ALA HB3 H 5.747 -10.802 6.448 1.00 . A A . 37 ALA HB3 1 1 10 5725 1 1 37 ALA N N 6.724 -9.134 4.915 1.00 . A A . 37 ALA N 1 1 10 5726 1 1 37 ALA O O 4.045 -8.010 4.531 1.00 . A A . 37 ALA O 1 1 10 5727 1 1 38 SER C C 1.783 -8.436 2.763 1.00 . A A . 38 SER C 1 1 10 5728 1 1 38 SER CA C 3.088 -8.492 1.974 1.00 . A A . 38 SER CA 1 1 10 5729 1 1 38 SER CB C 2.831 -9.073 0.582 1.00 . A A . 38 SER CB 1 1 10 5730 1 1 38 SER H H 4.475 -10.070 2.234 1.00 . A A . 38 SER H 1 1 10 5731 1 1 38 SER HA H 3.475 -7.489 1.871 1.00 . A A . 38 SER HA 1 1 10 5732 1 1 38 SER HB2 H 2.565 -10.115 0.673 1.00 . A A . 38 SER HB2 1 1 10 5733 1 1 38 SER HB3 H 2.020 -8.533 0.114 1.00 . A A . 38 SER HB3 1 1 10 5734 1 1 38 SER HG H 3.879 -8.228 -0.841 1.00 . A A . 38 SER HG 1 1 10 5735 1 1 38 SER N N 4.086 -9.287 2.679 1.00 . A A . 38 SER N 1 1 10 5736 1 1 38 SER O O 0.829 -9.151 2.458 1.00 . A A . 38 SER O 1 1 10 5737 1 1 38 SER OG O 3.983 -8.965 -0.235 1.00 . A A . 38 SER OG 1 1 10 5738 1 1 39 GLY C C 0.802 -6.624 5.848 1.00 . A A . 39 GLY C 1 1 10 5739 1 1 39 GLY CA C 0.558 -7.447 4.598 1.00 . A A . 39 GLY CA 1 1 10 5740 1 1 39 GLY H H 2.540 -7.036 3.977 1.00 . A A . 39 GLY H 1 1 10 5741 1 1 39 GLY HA2 H -0.216 -6.973 4.013 1.00 . A A . 39 GLY HA2 1 1 10 5742 1 1 39 GLY HA3 H 0.222 -8.431 4.889 1.00 . A A . 39 GLY HA3 1 1 10 5743 1 1 39 GLY N N 1.749 -7.581 3.780 1.00 . A A . 39 GLY N 1 1 10 5744 1 1 39 GLY O O -0.132 -6.066 6.424 1.00 . A A . 39 GLY O 1 1 10 5745 1 1 40 ASP C C 2.758 -4.345 7.100 1.00 . A A . 40 ASP C 1 1 10 5746 1 1 40 ASP CA C 2.423 -5.790 7.459 1.00 . A A . 40 ASP CA 1 1 10 5747 1 1 40 ASP CB C 3.614 -6.443 8.163 1.00 . A A . 40 ASP CB 1 1 10 5748 1 1 40 ASP CG C 3.185 -7.440 9.221 1.00 . A A . 40 ASP CG 1 1 10 5749 1 1 40 ASP H H 2.760 -7.017 5.767 1.00 . A A . 40 ASP H 1 1 10 5750 1 1 40 ASP HA H 1.576 -5.794 8.127 1.00 . A A . 40 ASP HA 1 1 10 5751 1 1 40 ASP HB2 H 4.217 -6.960 7.431 1.00 . A A . 40 ASP HB2 1 1 10 5752 1 1 40 ASP HB3 H 4.209 -5.676 8.636 1.00 . A A . 40 ASP HB3 1 1 10 5753 1 1 40 ASP N N 2.059 -6.550 6.269 1.00 . A A . 40 ASP N 1 1 10 5754 1 1 40 ASP O O 3.531 -4.088 6.177 1.00 . A A . 40 ASP O 1 1 10 5755 1 1 40 ASP OD1 O 2.037 -7.337 9.703 1.00 . A A . 40 ASP OD1 1 1 10 5756 1 1 40 ASP OD2 O 3.997 -8.323 9.568 1.00 . A A . 40 ASP OD2 1 1 10 5757 1 1 41 ARG C C 3.496 -1.452 8.516 1.00 . A A . 41 ARG C 1 1 10 5758 1 1 41 ARG CA C 2.406 -1.988 7.593 1.00 . A A . 41 ARG CA 1 1 10 5759 1 1 41 ARG CB C 1.114 -1.194 7.796 1.00 . A A . 41 ARG CB 1 1 10 5760 1 1 41 ARG CD C -1.140 -1.057 8.899 1.00 . A A . 41 ARG CD 1 1 10 5761 1 1 41 ARG CG C 0.060 -1.941 8.598 1.00 . A A . 41 ARG CG 1 1 10 5762 1 1 41 ARG CZ C -1.983 -0.200 6.754 1.00 . A A . 41 ARG CZ 1 1 10 5763 1 1 41 ARG H H 1.566 -3.674 8.558 1.00 . A A . 41 ARG H 1 1 10 5764 1 1 41 ARG HA H 2.730 -1.876 6.569 1.00 . A A . 41 ARG HA 1 1 10 5765 1 1 41 ARG HB2 H 1.347 -0.277 8.317 1.00 . A A . 41 ARG HB2 1 1 10 5766 1 1 41 ARG HB3 H 0.697 -0.955 6.830 1.00 . A A . 41 ARG HB3 1 1 10 5767 1 1 41 ARG HD2 H -1.640 -1.438 9.777 1.00 . A A . 41 ARG HD2 1 1 10 5768 1 1 41 ARG HD3 H -0.792 -0.053 9.091 1.00 . A A . 41 ARG HD3 1 1 10 5769 1 1 41 ARG HE H -2.843 -1.651 7.819 1.00 . A A . 41 ARG HE 1 1 10 5770 1 1 41 ARG HG2 H -0.272 -2.797 8.029 1.00 . A A . 41 ARG HG2 1 1 10 5771 1 1 41 ARG HG3 H 0.496 -2.271 9.529 1.00 . A A . 41 ARG HG3 1 1 10 5772 1 1 41 ARG HH11 H -0.291 0.683 7.416 1.00 . A A . 41 ARG HH11 1 1 10 5773 1 1 41 ARG HH12 H -0.896 1.277 5.905 1.00 . A A . 41 ARG HH12 1 1 10 5774 1 1 41 ARG HH21 H -3.649 -0.877 5.831 1.00 . A A . 41 ARG HH21 1 1 10 5775 1 1 41 ARG HH22 H -2.806 0.390 5.005 1.00 . A A . 41 ARG HH22 1 1 10 5776 1 1 41 ARG N N 2.171 -3.407 7.836 1.00 . A A . 41 ARG N 1 1 10 5777 1 1 41 ARG NE N -2.090 -1.026 7.790 1.00 . A A . 41 ARG NE 1 1 10 5778 1 1 41 ARG NH1 N -0.974 0.657 6.687 1.00 . A A . 41 ARG NH1 1 1 10 5779 1 1 41 ARG NH2 N -2.887 -0.232 5.783 1.00 . A A . 41 ARG NH2 1 1 10 5780 1 1 41 ARG O O 3.482 -1.701 9.722 1.00 . A A . 41 ARG O 1 1 10 5781 1 1 42 CYS C C 5.092 1.119 9.442 1.00 . A A . 42 CYS C 1 1 10 5782 1 1 42 CYS CA C 5.539 -0.143 8.711 1.00 . A A . 42 CYS CA 1 1 10 5783 1 1 42 CYS CB C 6.720 0.177 7.792 1.00 . A A . 42 CYS CB 1 1 10 5784 1 1 42 CYS H H 4.398 -0.550 6.975 1.00 . A A . 42 CYS H 1 1 10 5785 1 1 42 CYS HA H 5.850 -0.876 9.440 1.00 . A A . 42 CYS HA 1 1 10 5786 1 1 42 CYS HB2 H 6.344 0.432 6.812 1.00 . A A . 42 CYS HB2 1 1 10 5787 1 1 42 CYS HB3 H 7.261 1.020 8.195 1.00 . A A . 42 CYS HB3 1 1 10 5788 1 1 42 CYS N N 4.440 -0.715 7.941 1.00 . A A . 42 CYS N 1 1 10 5789 1 1 42 CYS O O 4.542 2.039 8.836 1.00 . A A . 42 CYS O 1 1 10 5790 1 1 42 CYS SG S 7.900 -1.196 7.592 1.00 . A A . 42 CYS SG 1 1 10 5791 1 1 43 CYS C C 6.165 3.192 11.844 1.00 . A A . 43 CYS C 1 1 10 5792 1 1 43 CYS CA C 4.956 2.305 11.564 1.00 . A A . 43 CYS CA 1 1 10 5793 1 1 43 CYS CB C 4.335 1.839 12.882 1.00 . A A . 43 CYS CB 1 1 10 5794 1 1 43 CYS H H 5.775 0.392 11.175 1.00 . A A . 43 CYS H 1 1 10 5795 1 1 43 CYS HA H 4.225 2.877 11.014 1.00 . A A . 43 CYS HA 1 1 10 5796 1 1 43 CYS HB2 H 4.880 0.979 13.244 1.00 . A A . 43 CYS HB2 1 1 10 5797 1 1 43 CYS HB3 H 4.408 2.636 13.607 1.00 . A A . 43 CYS HB3 1 1 10 5798 1 1 43 CYS N N 5.333 1.156 10.748 1.00 . A A . 43 CYS N 1 1 10 5799 1 1 43 CYS O O 7.240 2.704 12.196 1.00 . A A . 43 CYS O 1 1 10 5800 1 1 43 CYS SG S 2.580 1.366 12.751 1.00 . A A . 43 CYS SG 1 1 10 5801 1 1 44 CYS C C 6.798 6.261 13.193 1.00 . A A . 44 CYS C 1 1 10 5802 1 1 44 CYS CA C 7.056 5.456 11.922 1.00 . A A . 44 CYS CA 1 1 10 5803 1 1 44 CYS CB C 7.197 6.401 10.727 1.00 . A A . 44 CYS CB 1 1 10 5804 1 1 44 CYS H H 5.102 4.828 11.404 1.00 . A A . 44 CYS H 1 1 10 5805 1 1 44 CYS HA H 7.974 4.902 12.042 1.00 . A A . 44 CYS HA 1 1 10 5806 1 1 44 CYS HB2 H 6.317 7.025 10.666 1.00 . A A . 44 CYS HB2 1 1 10 5807 1 1 44 CYS HB3 H 8.065 7.026 10.873 1.00 . A A . 44 CYS HB3 1 1 10 5808 1 1 44 CYS N N 5.982 4.499 11.687 1.00 . A A . 44 CYS N 1 1 10 5809 1 1 44 CYS O O 5.698 6.769 13.406 1.00 . A A . 44 CYS O 1 1 10 5810 1 1 44 CYS SG S 7.385 5.552 9.127 1.00 . A A . 44 CYS SG 1 1 10 5811 1 1 45 ALA C C 7.824 8.617 15.039 1.00 . A A . 45 ALA C 1 1 10 5812 1 1 45 ALA CA C 7.707 7.117 15.282 1.00 . A A . 45 ALA CA 1 1 10 5813 1 1 45 ALA CB C 8.768 6.656 16.271 1.00 . A A . 45 ALA CB 1 1 10 5814 1 1 45 ALA H H 8.674 5.945 13.809 1.00 . A A . 45 ALA H 1 1 10 5815 1 1 45 ALA HA H 6.737 6.906 15.709 1.00 . A A . 45 ALA HA 1 1 10 5816 1 1 45 ALA HB1 H 9.605 7.338 16.242 1.00 . A A . 45 ALA HB1 1 1 10 5817 1 1 45 ALA HB2 H 8.350 6.640 17.266 1.00 . A A . 45 ALA HB2 1 1 10 5818 1 1 45 ALA HB3 H 9.102 5.664 16.004 1.00 . A A . 45 ALA HB3 1 1 10 5819 1 1 45 ALA N N 7.821 6.372 14.034 1.00 . A A . 45 ALA N 1 1 10 5820 1 1 45 ALA O O 7.635 9.421 15.954 1.00 . A A . 45 ALA O 1 1 stop_ save_
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