NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
397342 | 1sx1 | 6191 | cing | 4-filtered-FRED | STAR | entry | full | 244 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1sx1 # This FRED archive file contains, for PDB entry <1sx1>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1sx1 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1sx1 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 2486.21 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 $SecA A . 1 1 2 . 2 $ZINC_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 ZN 1 ZN 1 1 stop_ save_ save_SecA _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name SecA _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KVGRNDPCPCGSGKKYKQCHGR _Entity.Number_of_monomers 22 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 LYS . 1 1 2 VAL . 1 1 3 GLY . 1 1 4 ARG . 1 1 5 ASN . 1 1 6 ASP . 1 1 7 PRO . 1 1 8 CYS . 1 1 9 PRO . 1 1 10 CYS . 1 1 11 GLY . 1 1 12 SER . 1 1 13 GLY . 1 1 14 LYS . 1 1 15 LYS . 1 1 16 TYR . 1 1 17 LYS . 1 1 18 GLN . 1 1 19 CYS . 1 1 20 HIS . 1 1 21 GLY . 1 1 22 ARG . 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 LYS 1 1 1 1 VAL 2 2 1 1 GLY 3 3 1 1 ARG 4 4 1 1 ASN 5 5 1 1 ASP 6 6 1 1 PRO 7 7 1 1 CYS 8 8 1 1 PRO 9 9 1 1 CYS 10 10 1 1 GLY 11 11 1 1 SER 12 12 1 1 GLY 13 13 1 1 LYS 14 14 1 1 LYS 15 15 1 1 TYR 16 16 1 1 LYS 17 17 1 1 GLN 18 18 1 1 CYS 19 19 1 1 HIS 20 20 1 1 GLY 21 21 1 1 ARG 22 22 1 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 2 stop_ save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LYS H1 . 1 . HT* 1 1 1 1 2 1 1 1 LYS HA . 1 . HA 1 1 2 1 1 1 1 1 LYS H1 . 1 . HT* 1 1 2 1 2 1 1 1 LYS QB . 1 . HB* 1 1 3 1 1 1 1 1 LYS HA . 1 . HA 1 1 3 1 2 1 1 2 VAL H . 2 . HN 1 1 4 1 1 1 1 1 LYS QB . 1 . HB* 1 1 4 1 2 1 1 2 VAL H . 2 . HN 1 1 5 1 1 1 1 2 VAL H . 2 . HN 1 1 5 1 2 1 1 2 VAL HA . 2 . HA 1 1 6 1 1 1 1 2 VAL H . 2 . HN 1 1 6 1 2 1 1 2 VAL HB . 2 . HB 1 1 7 1 1 1 1 2 VAL H . 2 . HN 1 1 7 1 2 1 1 2 VAL QG . 2 . HG* 1 1 8 1 1 1 1 2 VAL H . 2 . HN 1 1 8 1 2 1 1 16 TYR QE . 16 . HE* 1 1 9 1 1 1 1 2 VAL HB . 2 . HB 1 1 9 1 2 1 1 3 GLY H . 3 . HN 1 1 10 1 1 1 1 2 VAL HB . 2 . HB 1 1 10 1 2 1 1 16 TYR QE . 16 . HE* 1 1 11 1 1 1 1 2 VAL QG . 2 . HG* 1 1 11 1 2 1 1 3 GLY H . 3 . HN 1 1 12 1 1 1 1 2 VAL QG . 2 . HG* 1 1 12 1 2 1 1 4 ARG QG . 4 . HG* 1 1 13 1 1 1 1 2 VAL QG . 2 . HG* 1 1 13 1 2 1 1 6 ASP HB2 . 6 . HB2 1 1 14 1 1 1 1 2 VAL QG . 2 . HG* 1 1 14 1 2 1 1 6 ASP HB3 . 6 . HB1 1 1 15 1 1 1 1 2 VAL QG . 2 . HG* 1 1 15 1 2 1 1 8 CYS HA . 8 . HA 1 1 16 1 1 1 1 2 VAL QG . 2 . HG* 1 1 16 1 2 1 1 9 PRO QB . 9 . HB* 1 1 17 1 1 1 1 2 VAL QG . 2 . HG* 1 1 17 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1 18 1 1 1 1 2 VAL QG . 2 . HG* 1 1 18 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1 19 1 1 1 1 2 VAL QG . 2 . HG* 1 1 19 1 2 1 1 16 TYR H . 16 . HN 1 1 20 1 1 1 1 2 VAL QG . 2 . HG* 1 1 20 1 2 1 1 16 TYR HB2 . 16 . HB2 1 1 21 1 1 1 1 2 VAL QG . 2 . HG* 1 1 21 1 2 1 1 16 TYR HB3 . 16 . HB1 1 1 22 1 1 1 1 2 VAL QG . 2 . HG* 1 1 22 1 2 1 1 16 TYR QD . 16 . HD* 1 1 23 1 1 1 1 2 VAL QG . 2 . HG* 1 1 23 1 2 1 1 16 TYR QE . 16 . HE* 1 1 24 1 1 1 1 3 GLY H . 3 . HN 1 1 24 1 2 1 1 4 ARG H . 4 . HN 1 1 25 1 1 1 1 3 GLY H . 3 . HN 1 1 25 1 2 1 1 5 ASN H . 5 . HN 1 1 26 1 1 1 1 3 GLY H . 3 . HN 1 1 26 1 2 1 1 6 ASP HB2 . 6 . HB2 1 1 27 1 1 1 1 3 GLY H . 3 . HN 1 1 27 1 2 1 1 6 ASP HB3 . 6 . HB1 1 1 28 1 1 1 1 3 GLY QA . 3 . HA* 1 1 28 1 2 1 1 4 ARG H . 4 . HN 1 1 29 1 1 1 1 3 GLY QA . 3 . HA* 1 1 29 1 2 1 1 6 ASP H . 6 . HN 1 1 30 1 1 1 1 4 ARG H . 4 . HN 1 1 30 1 2 1 1 4 ARG HA . 4 . HA 1 1 31 1 1 1 1 4 ARG H . 4 . HN 1 1 31 1 2 1 1 16 TYR QD . 16 . HD* 1 1 32 1 1 1 1 4 ARG HA . 4 . HA 1 1 32 1 2 1 1 4 ARG QD . 4 . HD* 1 1 33 1 1 1 1 4 ARG HA . 4 . HA 1 1 33 1 2 1 1 5 ASN H . 5 . HN 1 1 34 1 1 1 1 4 ARG HA . 4 . HA 1 1 34 1 2 1 1 16 TYR HB2 . 16 . HB2 1 1 35 1 1 1 1 4 ARG HA . 4 . HA 1 1 35 1 2 1 1 16 TYR QD . 16 . HD* 1 1 36 1 1 1 1 4 ARG HA . 4 . HA 1 1 36 1 2 1 1 16 TYR QE . 16 . HE* 1 1 37 1 1 1 1 4 ARG HA . 4 . HA 1 1 37 1 2 1 1 17 LYS H . 17 . HN 1 1 38 1 1 1 1 4 ARG QB . 4 . HB* 1 1 38 1 2 1 1 4 ARG QD . 4 . HD* 1 1 39 1 1 1 1 4 ARG QB . 4 . HB* 1 1 39 1 2 1 1 6 ASP H . 6 . HN 1 1 40 1 1 1 1 4 ARG QD . 4 . HD* 1 1 40 1 2 1 1 16 TYR QD . 16 . HD* 1 1 41 1 1 1 1 4 ARG QG . 4 . HG* 1 1 41 1 2 1 1 5 ASN HA . 5 . HA 1 1 42 1 1 1 1 4 ARG QG . 4 . HG* 1 1 42 1 2 1 1 16 TYR QD . 16 . HD* 1 1 43 1 1 1 1 5 ASN H . 5 . HN 1 1 43 1 2 1 1 5 ASN HA . 5 . HA 1 1 44 1 1 1 1 5 ASN H . 5 . HN 1 1 44 1 2 1 1 5 ASN HB2 . 5 . HB2 1 1 45 1 1 1 1 5 ASN H . 5 . HN 1 1 45 1 2 1 1 5 ASN HB3 . 5 . HB1 1 1 46 1 1 1 1 5 ASN H . 5 . HN 1 1 46 1 2 1 1 6 ASP H . 6 . HN 1 1 47 1 1 1 1 5 ASN H . 5 . HN 1 1 47 1 2 1 1 15 LYS QB . 15 . HB* 1 1 48 1 1 1 1 5 ASN HA . 5 . HA 1 1 48 1 2 1 1 5 ASN HB2 . 5 . HB2 1 1 49 1 1 1 1 5 ASN HA . 5 . HA 1 1 49 1 2 1 1 5 ASN HB3 . 5 . HB1 1 1 50 1 1 1 1 5 ASN HA . 5 . HA 1 1 50 1 2 1 1 6 ASP H . 6 . HN 1 1 51 1 1 1 1 5 ASN HA . 5 . HA 1 1 51 1 2 1 1 15 LYS QB . 15 . HB* 1 1 52 1 1 1 1 5 ASN HA . 5 . HA 1 1 52 1 2 1 1 15 LYS QG . 15 . HG* 1 1 53 1 1 1 1 5 ASN HB2 . 5 . HB2 1 1 53 1 2 1 1 6 ASP H . 6 . HN 1 1 54 1 1 1 1 6 ASP H . 6 . HN 1 1 54 1 2 1 1 6 ASP HB2 . 6 . HB2 1 1 55 1 1 1 1 6 ASP H . 6 . HN 1 1 55 1 2 1 1 6 ASP HB3 . 6 . HB1 1 1 56 1 1 1 1 6 ASP H . 6 . HN 1 1 56 1 2 1 1 7 PRO QD . 7 . HD* 1 1 57 1 1 1 1 6 ASP H . 6 . HN 1 1 57 1 2 1 1 8 CYS H . 8 . HN 1 1 58 1 1 1 1 6 ASP HA . 6 . HA 1 1 58 1 2 1 1 6 ASP HB2 . 6 . HB2 1 1 59 1 1 1 1 6 ASP HA . 6 . HA 1 1 59 1 2 1 1 6 ASP HB3 . 6 . HB1 1 1 60 1 1 1 1 6 ASP HA . 6 . HA 1 1 60 1 2 1 1 7 PRO QD . 7 . HD* 1 1 61 1 1 1 1 6 ASP HA . 6 . HA 1 1 61 1 2 1 1 7 PRO QG . 7 . HG* 1 1 62 1 1 1 1 6 ASP HB2 . 6 . HB2 1 1 62 1 2 1 1 7 PRO QD . 7 . HD* 1 1 63 1 1 1 1 6 ASP HB3 . 6 . HB1 1 1 63 1 2 1 1 7 PRO QD . 7 . HD* 1 1 64 1 1 1 1 7 PRO HA . 7 . HA 1 1 64 1 2 1 1 7 PRO QG . 7 . HG* 1 1 65 1 1 1 1 7 PRO HA . 7 . HA 1 1 65 1 2 1 1 8 CYS H . 8 . HN 1 1 66 1 1 1 1 7 PRO QB . 7 . HB* 1 1 66 1 2 1 1 8 CYS H . 8 . HN 1 1 67 1 1 1 1 7 PRO QB . 7 . HB* 1 1 67 1 2 1 1 13 GLY H . 13 . HN 1 1 68 1 1 1 1 7 PRO QG . 7 . HG* 1 1 68 1 2 1 1 8 CYS H . 8 . HN 1 1 69 1 1 1 1 8 CYS H . 8 . HN 1 1 69 1 2 1 1 8 CYS HA . 8 . HA 1 1 70 1 1 1 1 8 CYS H . 8 . HN 1 1 70 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1 71 1 1 1 1 8 CYS H . 8 . HN 1 1 71 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1 72 1 1 1 1 8 CYS H . 8 . HN 1 1 72 1 2 1 1 11 GLY H . 11 . HN 1 1 73 1 1 1 1 8 CYS H . 8 . HN 1 1 73 1 2 1 1 14 LYS H . 14 . HN 1 1 74 1 1 1 1 8 CYS H . 8 . HN 1 1 74 1 2 1 1 15 LYS QB . 15 . HB* 1 1 75 1 1 1 1 8 CYS H . 8 . HN 1 1 75 1 2 1 1 15 LYS QE . 15 . HE* 1 1 76 1 1 1 1 8 CYS H . 8 . HN 1 1 76 1 2 1 1 16 TYR H . 16 . HN 1 1 77 1 1 1 1 8 CYS H . 8 . HN 1 1 77 1 2 1 1 16 TYR QD . 16 . HD* 1 1 78 1 1 1 1 8 CYS HA . 8 . HA 1 1 78 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1 79 1 1 1 1 8 CYS HA . 8 . HA 1 1 79 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1 80 1 1 1 1 8 CYS HA . 8 . HA 1 1 80 1 2 1 1 10 CYS H . 10 . HN 1 1 81 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 81 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1 82 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 82 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1 83 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 83 1 2 1 1 10 CYS H . 10 . HN 1 1 84 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 84 1 2 1 1 14 LYS H . 14 . HN 1 1 85 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 85 1 2 1 1 15 LYS HA . 15 . HA 1 1 86 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 86 1 2 1 1 16 TYR QD . 16 . HD* 1 1 87 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 87 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 88 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 88 1 2 1 1 19 CYS HB3 . 19 . HB1 1 1 89 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 89 1 2 1 1 20 HIS H . 20 . HN 1 1 90 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 90 1 2 1 1 10 CYS H . 10 . HN 1 1 91 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 91 1 2 1 1 11 GLY H . 11 . HN 1 1 92 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 92 1 2 1 1 12 SER H . 12 . HN 1 1 93 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 93 1 2 1 1 14 LYS H . 14 . HN 1 1 94 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 94 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 95 1 1 1 1 8 CYS SG . 8 . SG 1 1 95 1 2 1 1 10 CYS SG . 10 . SG 1 1 96 1 1 1 1 8 CYS SG . 8 . SG 1 1 96 1 2 1 1 19 CYS SG . 19 . SG 1 1 97 1 1 1 1 8 CYS SG . 8 . SG 1 1 97 1 2 1 1 20 HIS ND1 . 20 . ND1 1 1 98 1 1 1 1 9 PRO QB . 9 . HB* 1 1 98 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1 99 1 1 1 1 9 PRO QB . 9 . HB* 1 1 99 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1 100 1 1 1 1 9 PRO QB . 9 . HB* 1 1 100 1 2 1 1 10 CYS H . 10 . HN 1 1 101 1 1 1 1 9 PRO QB . 9 . HB* 1 1 101 1 2 1 1 16 TYR QE . 16 . HE* 1 1 102 1 1 1 1 9 PRO HD2 . 9 . HD2 1 1 102 1 2 1 1 16 TYR QD . 16 . HD* 1 1 103 1 1 1 1 9 PRO HD2 . 9 . HD2 1 1 103 1 2 1 1 16 TYR QE . 16 . HE* 1 1 104 1 1 1 1 9 PRO HD3 . 9 . HD1 1 1 104 1 2 1 1 16 TYR QD . 16 . HD* 1 1 105 1 1 1 1 9 PRO HD3 . 9 . HD1 1 1 105 1 2 1 1 16 TYR QE . 16 . HE* 1 1 106 1 1 1 1 10 CYS H . 10 . HN 1 1 106 1 2 1 1 10 CYS HA . 10 . HA 1 1 107 1 1 1 1 10 CYS H . 10 . HN 1 1 107 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 108 1 1 1 1 10 CYS H . 10 . HN 1 1 108 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 109 1 1 1 1 10 CYS H . 10 . HN 1 1 109 1 2 1 1 11 GLY H . 11 . HN 1 1 110 1 1 1 1 10 CYS H . 10 . HN 1 1 110 1 2 1 1 12 SER H . 12 . HN 1 1 111 1 1 1 1 10 CYS H . 10 . HN 1 1 111 1 2 1 1 16 TYR QE . 16 . HE* 1 1 112 1 1 1 1 10 CYS HA . 10 . HA 1 1 112 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 113 1 1 1 1 10 CYS HA . 10 . HA 1 1 113 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 114 1 1 1 1 10 CYS HA . 10 . HA 1 1 114 1 2 1 1 11 GLY H . 11 . HN 1 1 115 1 1 1 1 10 CYS HA . 10 . HA 1 1 115 1 2 1 1 20 HIS HE1 . 20 . HE1 1 1 116 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 116 1 2 1 1 20 HIS HE1 . 20 . HE1 1 1 117 1 1 1 1 10 CYS HB3 . 10 . HB1 1 1 117 1 2 1 1 20 HIS HE1 . 20 . HE1 1 1 118 1 1 1 1 10 CYS SG . 10 . SG 1 1 118 1 2 1 1 19 CYS SG . 19 . SG 1 1 119 1 1 1 1 10 CYS SG . 10 . SG 1 1 119 1 2 1 1 20 HIS ND1 . 20 . ND1 1 1 120 1 1 1 1 11 GLY H . 11 . HN 1 1 120 1 2 1 1 11 GLY HA2 . 11 . HA2 1 1 121 1 1 1 1 11 GLY H . 11 . HN 1 1 121 1 2 1 1 11 GLY HA3 . 11 . HA1 1 1 122 1 1 1 1 11 GLY H . 11 . HN 1 1 122 1 2 1 1 12 SER H . 12 . HN 1 1 123 1 1 1 1 11 GLY H . 11 . HN 1 1 123 1 2 1 1 12 SER HA . 12 . HA 1 1 124 1 1 1 1 11 GLY H . 11 . HN 1 1 124 1 2 1 1 12 SER QB . 12 . HB* 1 1 125 1 1 1 1 11 GLY H . 11 . HN 1 1 125 1 2 1 1 13 GLY H . 13 . HN 1 1 126 1 1 1 1 11 GLY HA3 . 11 . HA1 1 1 126 1 2 1 1 12 SER H . 12 . HN 1 1 127 1 1 1 1 12 SER H . 12 . HN 1 1 127 1 2 1 1 12 SER HA . 12 . HA 1 1 128 1 1 1 1 12 SER H . 12 . HN 1 1 128 1 2 1 1 12 SER QB . 12 . HB* 1 1 129 1 1 1 1 12 SER H . 12 . HN 1 1 129 1 2 1 1 13 GLY H . 13 . HN 1 1 130 1 1 1 1 12 SER H . 12 . HN 1 1 130 1 2 1 1 14 LYS H . 14 . HN 1 1 131 1 1 1 1 12 SER HA . 12 . HA 1 1 131 1 2 1 1 12 SER QB . 12 . HB* 1 1 132 1 1 1 1 12 SER HA . 12 . HA 1 1 132 1 2 1 1 13 GLY H . 13 . HN 1 1 133 1 1 1 1 12 SER HA . 12 . HA 1 1 133 1 2 1 1 14 LYS H . 14 . HN 1 1 134 1 1 1 1 12 SER QB . 12 . HB* 1 1 134 1 2 1 1 13 GLY H . 13 . HN 1 1 135 1 1 1 1 12 SER QB . 12 . HB* 1 1 135 1 2 1 1 14 LYS H . 14 . HN 1 1 136 1 1 1 1 13 GLY H . 13 . HN 1 1 136 1 2 1 1 13 GLY HA2 . 13 . HA2 1 1 137 1 1 1 1 13 GLY H . 13 . HN 1 1 137 1 2 1 1 13 GLY HA3 . 13 . HA1 1 1 138 1 1 1 1 13 GLY H . 13 . HN 1 1 138 1 2 1 1 14 LYS H . 14 . HN 1 1 139 1 1 1 1 13 GLY HA2 . 13 . HA2 1 1 139 1 2 1 1 14 LYS H . 14 . HN 1 1 140 1 1 1 1 13 GLY HA3 . 13 . HA1 1 1 140 1 2 1 1 14 LYS H . 14 . HN 1 1 141 1 1 1 1 14 LYS H . 14 . HN 1 1 141 1 2 1 1 14 LYS HA . 14 . HA 1 1 142 1 1 1 1 14 LYS H . 14 . HN 1 1 142 1 2 1 1 14 LYS QB . 14 . HB* 1 1 143 1 1 1 1 14 LYS H . 14 . HN 1 1 143 1 2 1 1 14 LYS QG . 14 . HG* 1 1 144 1 1 1 1 14 LYS H . 14 . HN 1 1 144 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 145 1 1 1 1 14 LYS HA . 14 . HA 1 1 145 1 2 1 1 14 LYS QD . 14 . HD* 1 1 146 1 1 1 1 14 LYS HA . 14 . HA 1 1 146 1 2 1 1 14 LYS QG . 14 . HG* 1 1 147 1 1 1 1 14 LYS HA . 14 . HA 1 1 147 1 2 1 1 15 LYS H . 15 . HN 1 1 148 1 1 1 1 14 LYS QB . 14 . HB* 1 1 148 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 149 1 1 1 1 14 LYS QB . 14 . HB* 1 1 149 1 2 1 1 20 HIS H . 20 . HN 1 1 150 1 1 1 1 14 LYS QD . 14 . HD* 1 1 150 1 2 1 1 14 LYS QG . 14 . HG* 1 1 151 1 1 1 1 14 LYS QD . 14 . HD* 1 1 151 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 152 1 1 1 1 14 LYS QG . 14 . HG* 1 1 152 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 153 1 1 1 1 15 LYS H . 15 . HN 1 1 153 1 2 1 1 15 LYS HA . 15 . HA 1 1 154 1 1 1 1 15 LYS H . 15 . HN 1 1 154 1 2 1 1 15 LYS QB . 15 . HB* 1 1 155 1 1 1 1 15 LYS H . 15 . HN 1 1 155 1 2 1 1 15 LYS QD . 15 . HD* 1 1 156 1 1 1 1 15 LYS H . 15 . HN 1 1 156 1 2 1 1 15 LYS QG . 15 . HG* 1 1 157 1 1 1 1 15 LYS H . 15 . HN 1 1 157 1 2 1 1 16 TYR H . 16 . HN 1 1 158 1 1 1 1 15 LYS H . 15 . HN 1 1 158 1 2 1 1 18 GLN H . 18 . HN 1 1 159 1 1 1 1 15 LYS HA . 15 . HA 1 1 159 1 2 1 1 15 LYS QD . 15 . HD* 1 1 160 1 1 1 1 15 LYS HA . 15 . HA 1 1 160 1 2 1 1 15 LYS QG . 15 . HG* 1 1 161 1 1 1 1 15 LYS HA . 15 . HA 1 1 161 1 2 1 1 16 TYR H . 16 . HN 1 1 162 1 1 1 1 15 LYS QB . 15 . HB* 1 1 162 1 2 1 1 15 LYS QE . 15 . HE* 1 1 163 1 1 1 1 15 LYS QB . 15 . HB* 1 1 163 1 2 1 1 15 LYS QG . 15 . HG* 1 1 164 1 1 1 1 15 LYS QB . 15 . HB* 1 1 164 1 2 1 1 16 TYR H . 16 . HN 1 1 165 1 1 1 1 15 LYS QG . 15 . HG* 1 1 165 1 2 1 1 16 TYR H . 16 . HN 1 1 166 1 1 1 1 16 TYR H . 16 . HN 1 1 166 1 2 1 1 16 TYR HA . 16 . HA 1 1 167 1 1 1 1 16 TYR H . 16 . HN 1 1 167 1 2 1 1 16 TYR HB2 . 16 . HB2 1 1 168 1 1 1 1 16 TYR H . 16 . HN 1 1 168 1 2 1 1 16 TYR HB3 . 16 . HB1 1 1 169 1 1 1 1 16 TYR H . 16 . HN 1 1 169 1 2 1 1 16 TYR QD . 16 . HD* 1 1 170 1 1 1 1 16 TYR H . 16 . HN 1 1 170 1 2 1 1 17 LYS H . 17 . HN 1 1 171 1 1 1 1 16 TYR H . 16 . HN 1 1 171 1 2 1 1 18 GLN H . 18 . HN 1 1 172 1 1 1 1 16 TYR H . 16 . HN 1 1 172 1 2 1 1 19 CYS H . 19 . HN 1 1 173 1 1 1 1 16 TYR HA . 16 . HA 1 1 173 1 2 1 1 16 TYR HB2 . 16 . HB2 1 1 174 1 1 1 1 16 TYR HA . 16 . HA 1 1 174 1 2 1 1 16 TYR HB3 . 16 . HB1 1 1 175 1 1 1 1 16 TYR HA . 16 . HA 1 1 175 1 2 1 1 16 TYR QD . 16 . HD* 1 1 176 1 1 1 1 16 TYR HA . 16 . HA 1 1 176 1 2 1 1 17 LYS H . 17 . HN 1 1 177 1 1 1 1 16 TYR HA . 16 . HA 1 1 177 1 2 1 1 21 GLY H . 21 . HN 1 1 178 1 1 1 1 16 TYR HB2 . 16 . HB2 1 1 178 1 2 1 1 16 TYR QD . 16 . HD* 1 1 179 1 1 1 1 16 TYR HB2 . 16 . HB2 1 1 179 1 2 1 1 17 LYS H . 17 . HN 1 1 180 1 1 1 1 16 TYR HB3 . 16 . HB1 1 1 180 1 2 1 1 16 TYR QD . 16 . HD* 1 1 181 1 1 1 1 16 TYR HB3 . 16 . HB1 1 1 181 1 2 1 1 17 LYS H . 17 . HN 1 1 182 1 1 1 1 16 TYR QD . 16 . HD* 1 1 182 1 2 1 1 17 LYS H . 17 . HN 1 1 183 1 1 1 1 16 TYR QD . 16 . HD* 1 1 183 1 2 1 1 20 HIS H . 20 . HN 1 1 184 1 1 1 1 16 TYR QD . 16 . HD* 1 1 184 1 2 1 1 21 GLY H . 21 . HN 1 1 185 1 1 1 1 16 TYR QD . 16 . HD* 1 1 185 1 2 1 1 21 GLY HA2 . 21 . HA2 1 1 186 1 1 1 1 16 TYR QD . 16 . HD* 1 1 186 1 2 1 1 21 GLY HA3 . 21 . HA1 1 1 187 1 1 1 1 16 TYR QE . 16 . HE* 1 1 187 1 2 1 1 20 HIS H . 20 . HN 1 1 188 1 1 1 1 16 TYR QE . 16 . HE* 1 1 188 1 2 1 1 20 HIS QB . 20 . HB* 1 1 189 1 1 1 1 16 TYR QE . 16 . HE* 1 1 189 1 2 1 1 21 GLY H . 21 . HN 1 1 190 1 1 1 1 16 TYR QE . 16 . HE* 1 1 190 1 2 1 1 21 GLY HA2 . 21 . HA2 1 1 191 1 1 1 1 16 TYR QE . 16 . HE* 1 1 191 1 2 1 1 21 GLY HA3 . 21 . HA1 1 1 192 1 1 1 1 17 LYS H . 17 . HN 1 1 192 1 2 1 1 17 LYS HA . 17 . HA 1 1 193 1 1 1 1 17 LYS H . 17 . HN 1 1 193 1 2 1 1 17 LYS QB . 17 . HB* 1 1 194 1 1 1 1 17 LYS H . 17 . HN 1 1 194 1 2 1 1 17 LYS QD . 17 . HD* 1 1 195 1 1 1 1 17 LYS H . 17 . HN 1 1 195 1 2 1 1 17 LYS QG . 17 . HG* 1 1 196 1 1 1 1 17 LYS H . 17 . HN 1 1 196 1 2 1 1 18 GLN H . 18 . HN 1 1 197 1 1 1 1 17 LYS H . 17 . HN 1 1 197 1 2 1 1 19 CYS H . 19 . HN 1 1 198 1 1 1 1 17 LYS HA . 17 . HA 1 1 198 1 2 1 1 17 LYS QB . 17 . HB* 1 1 199 1 1 1 1 17 LYS HA . 17 . HA 1 1 199 1 2 1 1 18 GLN H . 18 . HN 1 1 200 1 1 1 1 17 LYS HA . 17 . HA 1 1 200 1 2 1 1 19 CYS H . 19 . HN 1 1 201 1 1 1 1 17 LYS QD . 17 . HD* 1 1 201 1 2 1 1 18 GLN H . 18 . HN 1 1 202 1 1 1 1 17 LYS QD . 17 . HD* 1 1 202 1 2 1 1 18 GLN QG . 18 . HG* 1 1 203 1 1 1 1 17 LYS QE . 17 . HE* 1 1 203 1 2 1 1 17 LYS QG . 17 . HG* 1 1 204 1 1 1 1 17 LYS QG . 17 . HG* 1 1 204 1 2 1 1 18 GLN H . 18 . HN 1 1 205 1 1 1 1 17 LYS QG . 17 . HG* 1 1 205 1 2 1 1 18 GLN QG . 18 . HG* 1 1 206 1 1 1 1 18 GLN H . 18 . HN 1 1 206 1 2 1 1 18 GLN HA . 18 . HA 1 1 207 1 1 1 1 18 GLN H . 18 . HN 1 1 207 1 2 1 1 18 GLN QB . 18 . HB* 1 1 208 1 1 1 1 18 GLN H . 18 . HN 1 1 208 1 2 1 1 18 GLN QG . 18 . HG* 1 1 209 1 1 1 1 18 GLN H . 18 . HN 1 1 209 1 2 1 1 19 CYS H . 19 . HN 1 1 210 1 1 1 1 18 GLN H . 18 . HN 1 1 210 1 2 1 1 19 CYS HA . 19 . HA 1 1 211 1 1 1 1 18 GLN HA . 18 . HA 1 1 211 1 2 1 1 19 CYS H . 19 . HN 1 1 212 1 1 1 1 18 GLN QB . 18 . HB* 1 1 212 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 213 1 1 1 1 19 CYS H . 19 . HN 1 1 213 1 2 1 1 19 CYS HA . 19 . HA 1 1 214 1 1 1 1 19 CYS H . 19 . HN 1 1 214 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 215 1 1 1 1 19 CYS H . 19 . HN 1 1 215 1 2 1 1 19 CYS HB3 . 19 . HB1 1 1 216 1 1 1 1 19 CYS H . 19 . HN 1 1 216 1 2 1 1 20 HIS H . 20 . HN 1 1 217 1 1 1 1 19 CYS H . 19 . HN 1 1 217 1 2 1 1 22 ARG H . 22 . HN 1 1 218 1 1 1 1 19 CYS HA . 19 . HA 1 1 218 1 2 1 1 19 CYS HB2 . 19 . HB2 1 1 219 1 1 1 1 19 CYS HA . 19 . HA 1 1 219 1 2 1 1 20 HIS H . 20 . HN 1 1 220 1 1 1 1 19 CYS HB2 . 19 . HB2 1 1 220 1 2 1 1 20 HIS H . 20 . HN 1 1 221 1 1 1 1 19 CYS HB3 . 19 . HB1 1 1 221 1 2 1 1 20 HIS H . 20 . HN 1 1 222 1 1 1 1 19 CYS SG . 19 . SG 1 1 222 1 2 1 1 20 HIS ND1 . 20 . ND1 1 1 223 1 1 1 1 20 HIS H . 20 . HN 1 1 223 1 2 1 1 20 HIS HA . 20 . HA 1 1 224 1 1 1 1 20 HIS H . 20 . HN 1 1 224 1 2 1 1 20 HIS QB . 20 . HB* 1 1 225 1 1 1 1 20 HIS H . 20 . HN 1 1 225 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 226 1 1 1 1 20 HIS H . 20 . HN 1 1 226 1 2 1 1 21 GLY H . 21 . HN 1 1 227 1 1 1 1 20 HIS H . 20 . HN 1 1 227 1 2 1 1 22 ARG H . 22 . HN 1 1 228 1 1 1 1 20 HIS HA . 20 . HA 1 1 228 1 2 1 1 20 HIS QB . 20 . HB* 1 1 229 1 1 1 1 20 HIS HA . 20 . HA 1 1 229 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 230 1 1 1 1 20 HIS HA . 20 . HA 1 1 230 1 2 1 1 22 ARG H . 22 . HN 1 1 231 1 1 1 1 20 HIS QB . 20 . HB* 1 1 231 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 232 1 1 1 1 20 HIS QB . 20 . HB* 1 1 232 1 2 1 1 21 GLY H . 21 . HN 1 1 233 1 1 1 1 20 HIS QB . 20 . HB* 1 1 233 1 2 1 1 22 ARG H . 22 . HN 1 1 234 1 1 1 1 21 GLY H . 21 . HN 1 1 234 1 2 1 1 21 GLY HA2 . 21 . HA2 1 1 235 1 1 1 1 21 GLY H . 21 . HN 1 1 235 1 2 1 1 22 ARG H . 22 . HN 1 1 236 1 1 1 1 21 GLY HA2 . 21 . HA2 1 1 236 1 2 1 1 22 ARG H . 22 . HN 1 1 237 1 1 1 1 21 GLY HA3 . 21 . HA1 1 1 237 1 2 1 1 22 ARG H . 22 . HN 1 1 238 1 1 1 1 21 GLY HA3 . 21 . HA1 1 1 238 1 2 1 1 22 ARG QB . 22 . HB* 1 1 239 1 1 1 1 22 ARG H . 22 . HN 1 1 239 1 2 1 1 22 ARG HA . 22 . HA 1 1 240 1 1 1 1 22 ARG H . 22 . HN 1 1 240 1 2 1 1 22 ARG QB . 22 . HB* 1 1 241 1 1 1 1 22 ARG H . 22 . HN 1 1 241 1 2 1 1 22 ARG QG . 22 . HG* 1 1 242 1 1 1 1 22 ARG HA . 22 . HA 1 1 242 1 2 1 1 22 ARG QD . 22 . HD* 1 1 243 1 1 1 1 22 ARG HA . 22 . HA 1 1 243 1 2 1 1 22 ARG QG . 22 . HG* 1 1 244 1 1 1 1 22 ARG QB . 22 . HB* 1 1 244 1 2 1 1 22 ARG QD . 22 . HD* 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 . . . . . 2.83 1.8 3.86 1 1 2 1 . . . . . 2.87 1.8 3.94 1 1 3 1 . . . . . 2.4 1.8 3.0 1 1 4 1 . . . . . 3.43 1.8 5.06 1 1 5 1 . . . . . 2.82 1.8 3.84 1 1 6 1 . . . . . 2.67 1.81 3.53 1 1 7 1 . . . . . 3.17 1.8 4.55 1 1 8 1 . . . . . 3.19 1.8 4.59 1 1 9 1 . . . . . 3.18 1.8 4.56 1 1 10 1 . . . . . 3.85 1.7 6.0 1 1 11 1 . . . . . 3.9 1.8 6.0 1 1 12 1 . . . . . 3.85 1.7 6.0 1 1 13 1 . . . . . 3.85 1.7 6.0 1 1 14 1 . . . . . 3.85 1.7 6.0 1 1 15 1 . . . . . 3.85 1.7 6.0 1 1 16 1 . . . . . 3.85 1.7 6.0 1 1 17 1 . . . . . 3.85 1.7 6.0 1 1 18 1 . . . . . 3.85 1.7 6.0 1 1 19 1 . . . . . 3.9 1.8 6.0 1 1 20 1 . . . . . 3.85 1.7 6.0 1 1 21 1 . . . . . 3.85 1.7 6.0 1 1 22 1 . . . . . 2.81 1.7 3.91 1 1 23 1 . . . . . 3.31 1.7 4.92 1 1 24 1 . . . . . 3.49 1.8 5.18 1 1 25 1 . . . . . 3.63 1.8 5.46 1 1 26 1 . . . . . 3.54 1.8 5.28 1 1 27 1 . . . . . 3.24 1.8 4.68 1 1 28 1 . . . . . 2.73 1.8 3.65 1 1 29 1 . . . . . 3.9 1.8 6.0 1 1 30 1 . . . . . 2.8 1.8 3.8 1 1 31 1 . . . . . 3.12 1.8 4.45 1 1 32 1 . . . . . 3.04 1.7 4.37 1 1 33 1 . . . . . 2.84 1.8 3.88 1 1 34 1 . . . . . 3.23 1.7 4.76 1 1 35 1 . . . . . 2.6 1.7 3.5 1 1 36 1 . . . . . 3.85 1.7 6.0 1 1 37 1 . . . . . 3.02 1.8 4.25 1 1 38 1 . . . . . 2.99 1.7 4.28 1 1 39 1 . . . . . 3.9 1.8 6.0 1 1 40 1 . . . . . 3.85 1.7 6.0 1 1 41 1 . . . . . 3.29 1.7 4.88 1 1 42 1 . . . . . 3.58 1.7 5.46 1 1 43 1 . . . . . 2.81 1.8 3.83 1 1 44 1 . . . . . 2.96 1.8 4.12 1 1 45 1 . . . . . 2.55 1.8 3.3 1 1 46 1 . . . . . 2.62 1.8 3.45 1 1 47 1 . . . . . 3.61 1.8 5.42 1 1 48 1 . . . . . 2.57 1.7 3.44 1 1 49 1 . . . . . 2.6 1.69 3.5 1 1 50 1 . . . . . 3.13 1.8 4.46 1 1 51 1 . . . . . 2.82 1.7 3.94 1 1 52 1 . . . . . 2.87 1.7 4.04 1 1 53 1 . . . . . 3.9 1.8 6.0 1 1 54 1 . . . . . 2.96 1.8 4.13 1 1 55 1 . . . . . 2.77 1.8 3.75 1 1 56 1 . . . . . 3.9 1.8 6.0 1 1 57 1 . . . . . 3.9 1.8 6.0 1 1 58 1 . . . . . 2.35 1.7 3.0 1 1 59 1 . . . . . 2.5 1.7 3.29 1 1 60 1 . . . . . 2.33 1.7 2.95 1 1 61 1 . . . . . 3.29 1.7 4.88 1 1 62 1 . . . . . 2.68 1.7 3.66 1 1 63 1 . . . . . 3.15 1.7 4.6 1 1 64 1 . . . . . 2.97 1.7 4.24 1 1 65 1 . . . . . 2.33 1.8 2.87 1 1 66 1 . . . . . 3.15 1.8 4.5 1 1 67 1 . . . . . 3.9 1.8 6.0 1 1 68 1 . . . . . 3.9 1.8 6.0 1 1 69 1 . . . . . 2.81 1.8 3.82 1 1 70 1 . . . . . 2.56 1.8 3.32 1 1 71 1 . . . . . 2.69 1.8 3.57 1 1 72 1 . . . . . 3.9 1.8 6.0 1 1 73 1 . . . . . 3.5 1.8 5.21 1 1 74 1 . . . . . 3.75 1.8 5.7 1 1 75 1 . . . . . 3.9 1.8 6.0 1 1 76 1 . . . . . 3.1 1.8 4.4 1 1 77 1 . . . . . 3.44 1.8 5.09 1 1 78 1 . . . . . 2.62 1.69 3.54 1 1 79 1 . . . . . 2.29 1.7 2.87 1 1 80 1 . . . . . 3.78 1.8 5.76 1 1 81 1 . . . . . 3.73 1.7 5.75 1 1 82 1 . . . . . 3.53 1.7 5.36 1 1 83 1 . . . . . 3.9 1.8 6.0 1 1 84 1 . . . . . 3.83 1.8 5.86 1 1 85 1 . . . . . 3.35 1.7 5.0 1 1 86 1 . . . . . 3.52 1.7 5.34 1 1 87 1 . . . . . 2.51 1.7 3.32 1 1 88 1 . . . . . 2.17 1.7 2.63 1 1 89 1 . . . . . 2.99 1.8 4.18 1 1 90 1 . . . . . 3.41 1.8 5.02 1 1 91 1 . . . . . 3.46 1.8 5.12 1 1 92 1 . . . . . 3.42 1.8 5.04 1 1 93 1 . . . . . 3.5 1.8 5.21 1 1 94 1 . . . . . 2.99 1.7 4.28 1 1 95 1 . . . . . 3.75 3.6 3.9 1 1 96 1 . . . . . 3.75 3.6 3.9 1 1 97 1 . . . . . 3.6 3.4 3.8 1 1 98 1 . . . . . 3.02 1.7 4.34 1 1 99 1 . . . . . 2.52 1.7 3.35 1 1 100 1 . . . . . 3.49 1.8 5.18 1 1 101 1 . . . . . 3.85 1.7 6.0 1 1 102 1 . . . . . 2.95 1.7 4.2 1 1 103 1 . . . . . 3.85 1.7 6.0 1 1 104 1 . . . . . 2.71 1.7 3.73 1 1 105 1 . . . . . 3.27 1.7 4.84 1 1 106 1 . . . . . 2.79 1.8 3.77 1 1 107 1 . . . . . 3.16 1.8 4.52 1 1 108 1 . . . . . 2.82 1.8 3.84 1 1 109 1 . . . . . 2.83 1.8 3.87 1 1 110 1 . . . . . 3.69 1.8 5.58 1 1 111 1 . . . . . 3.9 1.8 6.0 1 1 112 1 . . . . . 2.12 1.69 2.54 1 1 113 1 . . . . . 2.17 1.7 2.64 1 1 114 1 . . . . . 3.15 1.8 4.5 1 1 115 1 . . . . . 3.64 1.7 5.58 1 1 116 1 . . . . . 2.75 1.7 3.8 1 1 117 1 . . . . . 2.69 1.7 3.68 1 1 118 1 . . . . . 3.75 3.6 3.9 1 1 119 1 . . . . . 3.6 3.4 3.8 1 1 120 1 . . . . . 2.58 1.8 3.35 1 1 121 1 . . . . . 2.85 1.8 3.9 1 1 122 1 . . . . . 2.71 1.8 3.61 1 1 123 1 . . . . . 3.8 1.8 5.8 1 1 124 1 . . . . . 3.9 1.8 6.0 1 1 125 1 . . . . . 3.46 1.8 5.13 1 1 126 1 . . . . . 3.32 1.8 4.84 1 1 127 1 . . . . . 2.78 1.8 3.76 1 1 128 1 . . . . . 2.8 1.8 3.8 1 1 129 1 . . . . . 2.83 1.8 3.87 1 1 130 1 . . . . . 3.64 1.8 5.48 1 1 131 1 . . . . . 2.46 1.7 3.21 1 1 132 1 . . . . . 3.19 1.8 4.58 1 1 133 1 . . . . . 3.9 1.8 6.0 1 1 134 1 . . . . . 3.61 1.8 5.42 1 1 135 1 . . . . . 3.1 1.8 4.41 1 1 136 1 . . . . . 2.88 1.8 3.96 1 1 137 1 . . . . . 2.58 1.8 3.36 1 1 138 1 . . . . . 2.54 1.8 3.27 1 1 139 1 . . . . . 3.17 1.8 4.54 1 1 140 1 . . . . . 3.1 1.8 4.41 1 1 141 1 . . . . . 2.81 1.8 3.83 1 1 142 1 . . . . . 2.77 1.8 3.75 1 1 143 1 . . . . . 2.85 1.8 3.9 1 1 144 1 . . . . . 3.48 1.8 5.16 1 1 145 1 . . . . . 3.85 1.7 6.0 1 1 146 1 . . . . . 2.91 1.7 4.12 1 1 147 1 . . . . . 2.49 1.8 3.18 1 1 148 1 . . . . . 2.38 1.7 3.06 1 1 149 1 . . . . . 3.73 1.8 5.67 1 1 150 1 . . . . . 2.35 1.7 3.0 1 1 151 1 . . . . . 3.31 1.7 4.92 1 1 152 1 . . . . . 3.25 1.7 4.79 1 1 153 1 . . . . . 2.8 1.8 3.8 1 1 154 1 . . . . . 3.23 1.8 4.67 1 1 155 1 . . . . . 3.31 1.8 4.82 1 1 156 1 . . . . . 3.2 1.8 4.6 1 1 157 1 . . . . . 3.9 1.8 6.0 1 1 158 1 . . . . . 3.78 1.8 5.76 1 1 159 1 . . . . . 3.23 1.7 4.75 1 1 160 1 . . . . . 2.94 1.7 4.18 1 1 161 1 . . . . . 2.4 1.8 3.0 1 1 162 1 . . . . . 2.86 1.7 4.02 1 1 163 1 . . . . . 2.25 1.7 2.8 1 1 164 1 . . . . . 3.25 1.8 4.7 1 1 165 1 . . . . . 3.21 1.8 4.63 1 1 166 1 . . . . . 2.83 1.8 3.85 1 1 167 1 . . . . . 2.54 1.8 3.27 1 1 168 1 . . . . . 2.63 1.8 3.46 1 1 169 1 . . . . . 3.07 1.8 4.34 1 1 170 1 . . . . . 2.91 1.8 4.02 1 1 171 1 . . . . . 3.62 1.8 5.44 1 1 172 1 . . . . . 3.9 1.8 6.0 1 1 173 1 . . . . . 2.3 1.7 2.9 1 1 174 1 . . . . . 2.5 1.7 3.29 1 1 175 1 . . . . . 2.54 1.7 3.39 1 1 176 1 . . . . . 3.9 1.8 6.0 1 1 177 1 . . . . . 3.8 1.8 5.8 1 1 178 1 . . . . . 2.63 1.7 3.57 1 1 179 1 . . . . . 3.2 1.8 4.6 1 1 180 1 . . . . . 2.61 1.7 3.53 1 1 181 1 . . . . . 2.83 1.8 3.85 1 1 182 1 . . . . . 3.25 1.8 4.7 1 1 183 1 . . . . . 3.17 1.81 4.54 1 1 184 1 . . . . . 2.94 1.8 4.08 1 1 185 1 . . . . . 3.58 1.7 5.46 1 1 186 1 . . . . . 3.72 1.7 5.74 1 1 187 1 . . . . . 3.56 1.8 5.32 1 1 188 1 . . . . . 3.04 1.7 4.38 1 1 189 1 . . . . . 3.57 1.8 5.34 1 1 190 1 . . . . . 3.31 1.7 4.91 1 1 191 1 . . . . . 3.63 1.7 5.56 1 1 192 1 . . . . . 2.79 1.8 3.78 1 1 193 1 . . . . . 2.9 1.81 4.0 1 1 194 1 . . . . . 3.86 1.8 5.92 1 1 195 1 . . . . . 3.02 1.8 4.25 1 1 196 1 . . . . . 2.81 1.8 3.81 1 1 197 1 . . . . . 3.9 1.8 6.0 1 1 198 1 . . . . . 2.43 1.7 3.16 1 1 199 1 . . . . . 3.01 1.8 4.22 1 1 200 1 . . . . . 3.31 1.8 4.83 1 1 201 1 . . . . . 3.36 1.8 4.92 1 1 202 1 . . . . . 3.85 1.7 6.0 1 1 203 1 . . . . . 3.33 1.69 4.96 1 1 204 1 . . . . . 3.15 1.8 4.5 1 1 205 1 . . . . . 3.16 1.7 4.62 1 1 206 1 . . . . . 2.81 1.8 3.82 1 1 207 1 . . . . . 2.87 1.8 3.94 1 1 208 1 . . . . . 3.13 1.8 4.46 1 1 209 1 . . . . . 2.39 1.8 2.98 1 1 210 1 . . . . . 3.74 1.8 5.68 1 1 211 1 . . . . . 3.0 1.8 4.2 1 1 212 1 . . . . . 2.78 1.7 3.86 1 1 213 1 . . . . . 2.81 1.8 3.83 1 1 214 1 . . . . . 2.81 1.8 3.83 1 1 215 1 . . . . . 2.77 1.8 3.75 1 1 216 1 . . . . . 2.98 1.8 4.17 1 1 217 1 . . . . . 3.65 1.8 5.5 1 1 218 1 . . . . . 2.31 1.7 2.91 1 1 219 1 . . . . . 2.89 1.8 3.97 1 1 220 1 . . . . . 2.56 1.8 3.32 1 1 221 1 . . . . . 2.28 1.8 2.76 1 1 222 1 . . . . . 3.6 3.4 3.8 1 1 223 1 . . . . . 2.83 1.8 3.87 1 1 224 1 . . . . . 2.6 1.8 3.4 1 1 225 1 . . . . . 3.5 1.8 5.2 1 1 226 1 . . . . . 2.52 1.8 3.24 1 1 227 1 . . . . . 3.69 1.8 5.58 1 1 228 1 . . . . . 2.4 1.7 3.11 1 1 229 1 . . . . . 2.82 1.7 3.94 1 1 230 1 . . . . . 3.64 1.8 5.48 1 1 231 1 . . . . . 2.66 1.7 3.62 1 1 232 1 . . . . . 3.8 1.8 5.8 1 1 233 1 . . . . . 3.56 1.8 5.32 1 1 234 1 . . . . . 2.88 1.81 3.96 1 1 235 1 . . . . . 2.92 1.8 4.04 1 1 236 1 . . . . . 2.94 1.8 4.09 1 1 237 1 . . . . . 3.02 1.8 4.25 1 1 238 1 . . . . . 3.85 1.7 6.0 1 1 239 1 . . . . . 2.79 1.8 3.79 1 1 240 1 . . . . . 2.79 1.8 3.79 1 1 241 1 . . . . . 3.11 1.8 4.42 1 1 242 1 . . . . . 3.85 1.7 6.0 1 1 243 1 . . . . . 3.47 1.7 5.24 1 1 244 1 . . . . . 3.15 1.7 4.59 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 LYS C C 8.799 -2.497 1.134 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C 9.812 -1.826 2.055 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C 10.717 -0.890 1.252 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C 9.864 0.365 -0.756 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C 10.084 1.753 -1.335 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C 10.011 0.364 0.758 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H 10.035 -3.544 3.165 1.00 . A A . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H 11.214 -2.336 3.471 1.00 . A A . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H 11.285 -3.262 2.027 1.00 . A A . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H 9.284 -1.254 2.804 1.00 . A A . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H 11.546 -0.588 1.875 1.00 . A A . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H 11.099 -1.424 0.395 1.00 . A A . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H 10.592 -0.311 -1.179 1.00 . A A . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H 8.869 0.031 -1.011 1.00 . A A . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H 9.127 2.243 -1.434 1.00 . A A . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H 10.709 2.317 -0.659 1.00 . A A . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H 9.029 0.411 1.204 1.00 . A A . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H 10.586 1.229 1.056 1.00 . A A . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H 10.374 0.893 -3.216 1.00 . A A . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H 11.768 1.591 -2.561 1.00 . A A . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H 10.550 2.576 -3.198 1.00 . A A . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N 10.663 -2.832 2.742 1.00 . A A . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N 10.740 1.699 -2.671 1.00 . A A . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O 9.109 -3.484 0.467 1.00 . A A . 1 LYS O 1 1 1 25 1 1 2 VAL C C 5.977 -1.445 -0.687 1.00 . A A . 2 VAL C 1 1 1 26 1 1 2 VAL CA C 6.526 -2.500 0.263 1.00 . A A . 2 VAL CA 1 1 1 27 1 1 2 VAL CB C 5.361 -3.049 1.111 1.00 . A A . 2 VAL CB 1 1 1 28 1 1 2 VAL CG1 C 4.693 -1.930 1.897 1.00 . A A . 2 VAL CG1 1 1 1 29 1 1 2 VAL CG2 C 4.346 -3.762 0.227 1.00 . A A . 2 VAL CG2 1 1 1 30 1 1 2 VAL H H 7.399 -1.167 1.656 1.00 . A A . 2 VAL H 1 1 1 31 1 1 2 VAL HA H 6.940 -3.314 -0.315 1.00 . A A . 2 VAL HA 1 1 1 32 1 1 2 VAL HB H 5.759 -3.766 1.814 1.00 . A A . 2 VAL HB 1 1 1 33 1 1 2 VAL HG11 H 3.780 -2.297 2.344 1.00 . A A . 2 VAL HG11 1 1 1 34 1 1 2 VAL HG12 H 4.463 -1.107 1.234 1.00 . A A . 2 VAL HG12 1 1 1 35 1 1 2 VAL HG13 H 5.360 -1.587 2.675 1.00 . A A . 2 VAL HG13 1 1 1 36 1 1 2 VAL HG21 H 3.659 -4.322 0.844 1.00 . A A . 2 VAL HG21 1 1 1 37 1 1 2 VAL HG22 H 4.861 -4.436 -0.442 1.00 . A A . 2 VAL HG22 1 1 1 38 1 1 2 VAL HG23 H 3.797 -3.033 -0.352 1.00 . A A . 2 VAL HG23 1 1 1 39 1 1 2 VAL N N 7.586 -1.953 1.103 1.00 . A A . 2 VAL N 1 1 1 40 1 1 2 VAL O O 6.102 -0.246 -0.441 1.00 . A A . 2 VAL O 1 1 1 41 1 1 3 GLY C C 3.414 -0.487 -2.256 1.00 . A A . 3 GLY C 1 1 1 42 1 1 3 GLY CA C 4.767 -0.984 -2.718 1.00 . A A . 3 GLY CA 1 1 1 43 1 1 3 GLY H H 5.264 -2.868 -1.900 1.00 . A A . 3 GLY H 1 1 1 44 1 1 3 GLY HA2 H 5.429 -0.140 -2.845 1.00 . A A . 3 GLY HA2 1 1 1 45 1 1 3 GLY HA3 H 4.651 -1.488 -3.666 1.00 . A A . 3 GLY HA3 1 1 1 46 1 1 3 GLY N N 5.348 -1.901 -1.762 1.00 . A A . 3 GLY N 1 1 1 47 1 1 3 GLY O O 2.386 -1.050 -2.621 1.00 . A A . 3 GLY O 1 1 1 48 1 1 4 ARG C C 1.037 1.140 -1.881 1.00 . A A . 4 ARG C 1 1 1 49 1 1 4 ARG CA C 2.192 1.139 -0.876 1.00 . A A . 4 ARG CA 1 1 1 50 1 1 4 ARG CB C 2.429 2.565 -0.363 1.00 . A A . 4 ARG CB 1 1 1 51 1 1 4 ARG CD C 4.267 4.233 -0.043 1.00 . A A . 4 ARG CD 1 1 1 52 1 1 4 ARG CG C 3.586 3.297 -1.024 1.00 . A A . 4 ARG CG 1 1 1 53 1 1 4 ARG CZ C 6.143 5.830 -0.020 1.00 . A A . 4 ARG CZ 1 1 1 54 1 1 4 ARG H H 4.284 0.938 -1.160 1.00 . A A . 4 ARG H 1 1 1 55 1 1 4 ARG HA H 1.908 0.527 -0.041 1.00 . A A . 4 ARG HA 1 1 1 56 1 1 4 ARG HB2 H 1.532 3.144 -0.527 1.00 . A A . 4 ARG HB2 1 1 1 57 1 1 4 ARG HB3 H 2.623 2.520 0.699 1.00 . A A . 4 ARG HB3 1 1 1 58 1 1 4 ARG HD2 H 3.569 5.007 0.237 1.00 . A A . 4 ARG HD2 1 1 1 59 1 1 4 ARG HD3 H 4.547 3.667 0.832 1.00 . A A . 4 ARG HD3 1 1 1 60 1 1 4 ARG HE H 5.769 4.525 -1.483 1.00 . A A . 4 ARG HE 1 1 1 61 1 1 4 ARG HG2 H 4.308 2.578 -1.375 1.00 . A A . 4 ARG HG2 1 1 1 62 1 1 4 ARG HG3 H 3.210 3.871 -1.857 1.00 . A A . 4 ARG HG3 1 1 1 63 1 1 4 ARG HH11 H 4.946 5.920 1.608 1.00 . A A . 4 ARG HH11 1 1 1 64 1 1 4 ARG HH12 H 6.272 7.033 1.600 1.00 . A A . 4 ARG HH12 1 1 1 65 1 1 4 ARG HH21 H 7.515 5.989 -1.496 1.00 . A A . 4 ARG HH21 1 1 1 66 1 1 4 ARG HH22 H 7.730 7.073 -0.162 1.00 . A A . 4 ARG HH22 1 1 1 67 1 1 4 ARG N N 3.422 0.558 -1.427 1.00 . A A . 4 ARG N 1 1 1 68 1 1 4 ARG NE N 5.461 4.853 -0.614 1.00 . A A . 4 ARG NE 1 1 1 69 1 1 4 ARG NH1 N 5.755 6.299 1.159 1.00 . A A . 4 ARG NH1 1 1 1 70 1 1 4 ARG NH2 N 7.218 6.339 -0.608 1.00 . A A . 4 ARG NH2 1 1 1 71 1 1 4 ARG O O -0.128 1.061 -1.492 1.00 . A A . 4 ARG O 1 1 1 72 1 1 5 ASN C C -0.334 -0.137 -4.360 1.00 . A A . 5 ASN C 1 1 1 73 1 1 5 ASN CA C 0.337 1.233 -4.212 1.00 . A A . 5 ASN CA 1 1 1 74 1 1 5 ASN CB C 0.953 1.655 -5.548 1.00 . A A . 5 ASN CB 1 1 1 75 1 1 5 ASN CG C -0.042 2.366 -6.443 1.00 . A A . 5 ASN CG 1 1 1 76 1 1 5 ASN H H 2.301 1.287 -3.422 1.00 . A A . 5 ASN H 1 1 1 77 1 1 5 ASN HA H -0.413 1.957 -3.932 1.00 . A A . 5 ASN HA 1 1 1 78 1 1 5 ASN HB2 H 1.781 2.321 -5.360 1.00 . A A . 5 ASN HB2 1 1 1 79 1 1 5 ASN HB3 H 1.311 0.777 -6.064 1.00 . A A . 5 ASN HB3 1 1 1 80 1 1 5 ASN HD21 H -0.485 0.655 -7.353 1.00 . A A . 5 ASN HD21 1 1 1 81 1 1 5 ASN HD22 H -1.334 2.049 -7.921 1.00 . A A . 5 ASN HD22 1 1 1 82 1 1 5 ASN N N 1.358 1.226 -3.168 1.00 . A A . 5 ASN N 1 1 1 83 1 1 5 ASN ND2 N -0.685 1.614 -7.328 1.00 . A A . 5 ASN ND2 1 1 1 84 1 1 5 ASN O O -1.218 -0.312 -5.200 1.00 . A A . 5 ASN O 1 1 1 85 1 1 5 ASN OD1 O -0.231 3.579 -6.341 1.00 . A A . 5 ASN OD1 1 1 1 86 1 1 6 ASP C C -1.342 -2.714 -2.367 1.00 . A A . 6 ASP C 1 1 1 87 1 1 6 ASP CA C -0.473 -2.449 -3.596 1.00 . A A . 6 ASP CA 1 1 1 88 1 1 6 ASP CB C 0.656 -3.483 -3.674 1.00 . A A . 6 ASP CB 1 1 1 89 1 1 6 ASP CG C 0.163 -4.912 -3.543 1.00 . A A . 6 ASP CG 1 1 1 90 1 1 6 ASP H H 0.792 -0.915 -2.900 1.00 . A A . 6 ASP H 1 1 1 91 1 1 6 ASP HA H -1.084 -2.525 -4.482 1.00 . A A . 6 ASP HA 1 1 1 92 1 1 6 ASP HB2 H 1.159 -3.385 -4.624 1.00 . A A . 6 ASP HB2 1 1 1 93 1 1 6 ASP HB3 H 1.364 -3.292 -2.879 1.00 . A A . 6 ASP HB3 1 1 1 94 1 1 6 ASP N N 0.087 -1.105 -3.547 1.00 . A A . 6 ASP N 1 1 1 95 1 1 6 ASP O O -1.038 -2.243 -1.272 1.00 . A A . 6 ASP O 1 1 1 96 1 1 6 ASP OD1 O -0.002 -5.381 -2.397 1.00 . A A . 6 ASP OD1 1 1 1 97 1 1 6 ASP OD2 O -0.059 -5.562 -4.586 1.00 . A A . 6 ASP OD2 1 1 1 98 1 1 7 PRO C C -2.601 -4.280 -0.188 1.00 . A A . 7 PRO C 1 1 1 99 1 1 7 PRO CA C -3.345 -3.809 -1.435 1.00 . A A . 7 PRO CA 1 1 1 100 1 1 7 PRO CB C -4.216 -4.944 -2.004 1.00 . A A . 7 PRO CB 1 1 1 101 1 1 7 PRO CD C -2.874 -4.085 -3.793 1.00 . A A . 7 PRO CD 1 1 1 102 1 1 7 PRO CG C -3.606 -5.307 -3.321 1.00 . A A . 7 PRO CG 1 1 1 103 1 1 7 PRO HA H -3.972 -2.968 -1.178 1.00 . A A . 7 PRO HA 1 1 1 104 1 1 7 PRO HB2 H -4.207 -5.782 -1.324 1.00 . A A . 7 PRO HB2 1 1 1 105 1 1 7 PRO HB3 H -5.229 -4.590 -2.127 1.00 . A A . 7 PRO HB3 1 1 1 106 1 1 7 PRO HD2 H -2.030 -4.361 -4.409 1.00 . A A . 7 PRO HD2 1 1 1 107 1 1 7 PRO HD3 H -3.540 -3.426 -4.328 1.00 . A A . 7 PRO HD3 1 1 1 108 1 1 7 PRO HG2 H -2.917 -6.129 -3.191 1.00 . A A . 7 PRO HG2 1 1 1 109 1 1 7 PRO HG3 H -4.381 -5.574 -4.023 1.00 . A A . 7 PRO HG3 1 1 1 110 1 1 7 PRO N N -2.435 -3.479 -2.534 1.00 . A A . 7 PRO N 1 1 1 111 1 1 7 PRO O O -1.821 -5.232 -0.241 1.00 . A A . 7 PRO O 1 1 1 112 1 1 8 CYS C C -2.078 -5.436 2.404 1.00 . A A . 8 CYS C 1 1 1 113 1 1 8 CYS CA C -2.209 -3.924 2.206 1.00 . A A . 8 CYS CA 1 1 1 114 1 1 8 CYS CB C -3.017 -3.320 3.358 1.00 . A A . 8 CYS CB 1 1 1 115 1 1 8 CYS H H -3.474 -2.848 0.896 1.00 . A A . 8 CYS H 1 1 1 116 1 1 8 CYS HA H -1.224 -3.484 2.204 1.00 . A A . 8 CYS HA 1 1 1 117 1 1 8 CYS HB2 H -3.447 -2.385 3.033 1.00 . A A . 8 CYS HB2 1 1 1 118 1 1 8 CYS HB3 H -3.811 -4.002 3.625 1.00 . A A . 8 CYS HB3 1 1 1 119 1 1 8 CYS N N -2.847 -3.598 0.929 1.00 . A A . 8 CYS N 1 1 1 120 1 1 8 CYS O O -3.024 -6.185 2.155 1.00 . A A . 8 CYS O 1 1 1 121 1 1 8 CYS SG S -2.051 -2.990 4.849 1.00 . A A . 8 CYS SG 1 1 1 122 1 1 9 PRO C C -1.605 -7.937 4.113 1.00 . A A . 9 PRO C 1 1 1 123 1 1 9 PRO CA C -0.655 -7.337 3.080 1.00 . A A . 9 PRO CA 1 1 1 124 1 1 9 PRO CB C 0.792 -7.385 3.592 1.00 . A A . 9 PRO CB 1 1 1 125 1 1 9 PRO CD C 0.283 -5.092 3.175 1.00 . A A . 9 PRO CD 1 1 1 126 1 1 9 PRO CG C 1.089 -6.001 4.056 1.00 . A A . 9 PRO CG 1 1 1 127 1 1 9 PRO HA H -0.730 -7.899 2.160 1.00 . A A . 9 PRO HA 1 1 1 128 1 1 9 PRO HB2 H 0.865 -8.096 4.402 1.00 . A A . 9 PRO HB2 1 1 1 129 1 1 9 PRO HB3 H 1.450 -7.680 2.789 1.00 . A A . 9 PRO HB3 1 1 1 130 1 1 9 PRO HD2 H 0.004 -4.197 3.710 1.00 . A A . 9 PRO HD2 1 1 1 131 1 1 9 PRO HD3 H 0.835 -4.843 2.281 1.00 . A A . 9 PRO HD3 1 1 1 132 1 1 9 PRO HG2 H 0.790 -5.887 5.087 1.00 . A A . 9 PRO HG2 1 1 1 133 1 1 9 PRO HG3 H 2.143 -5.794 3.944 1.00 . A A . 9 PRO HG3 1 1 1 134 1 1 9 PRO N N -0.900 -5.907 2.853 1.00 . A A . 9 PRO N 1 1 1 135 1 1 9 PRO O O -1.812 -9.150 4.146 1.00 . A A . 9 PRO O 1 1 1 136 1 1 10 CYS C C -4.283 -8.291 5.372 1.00 . A A . 10 CYS C 1 1 1 137 1 1 10 CYS CA C -3.106 -7.539 5.987 1.00 . A A . 10 CYS CA 1 1 1 138 1 1 10 CYS CB C -3.613 -6.351 6.810 1.00 . A A . 10 CYS CB 1 1 1 139 1 1 10 CYS H H -1.976 -6.129 4.884 1.00 . A A . 10 CYS H 1 1 1 140 1 1 10 CYS HA H -2.568 -8.211 6.640 1.00 . A A . 10 CYS HA 1 1 1 141 1 1 10 CYS HB2 H -4.182 -6.721 7.649 1.00 . A A . 10 CYS HB2 1 1 1 142 1 1 10 CYS HB3 H -2.766 -5.789 7.176 1.00 . A A . 10 CYS HB3 1 1 1 143 1 1 10 CYS N N -2.179 -7.084 4.956 1.00 . A A . 10 CYS N 1 1 1 144 1 1 10 CYS O O -4.850 -9.191 5.992 1.00 . A A . 10 CYS O 1 1 1 145 1 1 10 CYS SG S -4.674 -5.210 5.892 1.00 . A A . 10 CYS SG 1 1 1 146 1 1 11 GLY C C -7.091 -7.948 3.820 1.00 . A A . 11 GLY C 1 1 1 147 1 1 11 GLY CA C -5.751 -8.567 3.472 1.00 . A A . 11 GLY CA 1 1 1 148 1 1 11 GLY H H -4.157 -7.193 3.704 1.00 . A A . 11 GLY H 1 1 1 149 1 1 11 GLY HA2 H -5.599 -8.492 2.406 1.00 . A A . 11 GLY HA2 1 1 1 150 1 1 11 GLY HA3 H -5.766 -9.611 3.750 1.00 . A A . 11 GLY HA3 1 1 1 151 1 1 11 GLY N N -4.645 -7.916 4.150 1.00 . A A . 11 GLY N 1 1 1 152 1 1 11 GLY O O -8.102 -8.646 3.901 1.00 . A A . 11 GLY O 1 1 1 153 1 1 12 SER C C -9.042 -5.440 3.110 1.00 . A A . 12 SER C 1 1 1 154 1 1 12 SER CA C -8.326 -5.923 4.366 1.00 . A A . 12 SER CA 1 1 1 155 1 1 12 SER CB C -8.014 -4.734 5.278 1.00 . A A . 12 SER CB 1 1 1 156 1 1 12 SER H H -6.262 -6.134 3.946 1.00 . A A . 12 SER H 1 1 1 157 1 1 12 SER HA H -8.971 -6.609 4.893 1.00 . A A . 12 SER HA 1 1 1 158 1 1 12 SER HB2 H -8.938 -4.315 5.646 1.00 . A A . 12 SER HB2 1 1 1 159 1 1 12 SER HB3 H -7.414 -5.071 6.110 1.00 . A A . 12 SER HB3 1 1 1 160 1 1 12 SER HG H -7.039 -3.038 5.192 1.00 . A A . 12 SER HG 1 1 1 161 1 1 12 SER N N -7.100 -6.635 4.025 1.00 . A A . 12 SER N 1 1 1 162 1 1 12 SER O O -10.267 -5.519 3.011 1.00 . A A . 12 SER O 1 1 1 163 1 1 12 SER OG O -7.302 -3.728 4.579 1.00 . A A . 12 SER OG 1 1 1 164 1 1 13 GLY C C -8.244 -3.130 0.474 1.00 . A A . 13 GLY C 1 1 1 165 1 1 13 GLY CA C -8.848 -4.449 0.912 1.00 . A A . 13 GLY CA 1 1 1 166 1 1 13 GLY H H -7.300 -4.901 2.285 1.00 . A A . 13 GLY H 1 1 1 167 1 1 13 GLY HA2 H -8.686 -5.183 0.137 1.00 . A A . 13 GLY HA2 1 1 1 168 1 1 13 GLY HA3 H -9.912 -4.317 1.051 1.00 . A A . 13 GLY HA3 1 1 1 169 1 1 13 GLY N N -8.271 -4.939 2.150 1.00 . A A . 13 GLY N 1 1 1 170 1 1 13 GLY O O -8.190 -2.830 -0.720 1.00 . A A . 13 GLY O 1 1 1 171 1 1 14 LYS C C -5.675 -1.180 0.965 1.00 . A A . 14 LYS C 1 1 1 172 1 1 14 LYS CA C -7.182 -1.046 1.150 1.00 . A A . 14 LYS CA 1 1 1 173 1 1 14 LYS CB C -7.481 -0.057 2.279 1.00 . A A . 14 LYS CB 1 1 1 174 1 1 14 LYS CD C -9.109 -0.854 4.020 1.00 . A A . 14 LYS CD 1 1 1 175 1 1 14 LYS CE C -9.105 0.060 5.235 1.00 . A A . 14 LYS CE 1 1 1 176 1 1 14 LYS CG C -8.932 -0.068 2.731 1.00 . A A . 14 LYS CG 1 1 1 177 1 1 14 LYS H H -7.858 -2.637 2.371 1.00 . A A . 14 LYS H 1 1 1 178 1 1 14 LYS HA H -7.616 -0.674 0.234 1.00 . A A . 14 LYS HA 1 1 1 179 1 1 14 LYS HB2 H -6.858 -0.301 3.129 1.00 . A A . 14 LYS HB2 1 1 1 180 1 1 14 LYS HB3 H -7.238 0.939 1.942 1.00 . A A . 14 LYS HB3 1 1 1 181 1 1 14 LYS HD2 H -10.051 -1.382 3.982 1.00 . A A . 14 LYS HD2 1 1 1 182 1 1 14 LYS HD3 H -8.300 -1.565 4.112 1.00 . A A . 14 LYS HD3 1 1 1 183 1 1 14 LYS HE2 H -8.508 0.931 5.012 1.00 . A A . 14 LYS HE2 1 1 1 184 1 1 14 LYS HE3 H -10.120 0.364 5.443 1.00 . A A . 14 LYS HE3 1 1 1 185 1 1 14 LYS HG2 H -9.255 0.949 2.894 1.00 . A A . 14 LYS HG2 1 1 1 186 1 1 14 LYS HG3 H -9.536 -0.520 1.957 1.00 . A A . 14 LYS HG3 1 1 1 187 1 1 14 LYS HZ1 H -7.938 -1.411 6.151 1.00 . A A . 14 LYS HZ1 1 1 1 188 1 1 14 LYS HZ2 H -9.315 -0.981 7.035 1.00 . A A . 14 LYS HZ2 1 1 1 189 1 1 14 LYS HZ3 H -7.978 0.056 6.994 1.00 . A A . 14 LYS HZ3 1 1 1 190 1 1 14 LYS N N -7.787 -2.341 1.440 1.00 . A A . 14 LYS N 1 1 1 191 1 1 14 LYS NZ N -8.545 -0.616 6.437 1.00 . A A . 14 LYS NZ 1 1 1 192 1 1 14 LYS O O -5.052 -2.086 1.518 1.00 . A A . 14 LYS O 1 1 1 193 1 1 15 LYS C C -2.896 0.210 1.167 1.00 . A A . 15 LYS C 1 1 1 194 1 1 15 LYS CA C -3.658 -0.291 -0.057 1.00 . A A . 15 LYS CA 1 1 1 195 1 1 15 LYS CB C -3.307 0.557 -1.282 1.00 . A A . 15 LYS CB 1 1 1 196 1 1 15 LYS CD C -4.608 2.521 -2.156 1.00 . A A . 15 LYS CD 1 1 1 197 1 1 15 LYS CE C -6.041 2.391 -1.669 1.00 . A A . 15 LYS CE 1 1 1 198 1 1 15 LYS CG C -3.617 2.034 -1.112 1.00 . A A . 15 LYS CG 1 1 1 199 1 1 15 LYS H H -5.641 0.430 -0.221 1.00 . A A . 15 LYS H 1 1 1 200 1 1 15 LYS HA H -3.371 -1.313 -0.248 1.00 . A A . 15 LYS HA 1 1 1 201 1 1 15 LYS HB2 H -2.250 0.456 -1.485 1.00 . A A . 15 LYS HB2 1 1 1 202 1 1 15 LYS HB3 H -3.864 0.189 -2.130 1.00 . A A . 15 LYS HB3 1 1 1 203 1 1 15 LYS HD2 H -4.406 3.559 -2.374 1.00 . A A . 15 LYS HD2 1 1 1 204 1 1 15 LYS HD3 H -4.487 1.933 -3.053 1.00 . A A . 15 LYS HD3 1 1 1 205 1 1 15 LYS HE2 H -6.435 1.441 -2.000 1.00 . A A . 15 LYS HE2 1 1 1 206 1 1 15 LYS HE3 H -6.046 2.424 -0.590 1.00 . A A . 15 LYS HE3 1 1 1 207 1 1 15 LYS HG2 H -4.036 2.192 -0.130 1.00 . A A . 15 LYS HG2 1 1 1 208 1 1 15 LYS HG3 H -2.700 2.597 -1.208 1.00 . A A . 15 LYS HG3 1 1 1 209 1 1 15 LYS HZ1 H -7.874 3.127 -2.351 1.00 . A A . 15 LYS HZ1 1 1 1 210 1 1 15 LYS HZ2 H -6.531 3.839 -3.093 1.00 . A A . 15 LYS HZ2 1 1 1 211 1 1 15 LYS HZ3 H -6.946 4.267 -1.510 1.00 . A A . 15 LYS HZ3 1 1 1 212 1 1 15 LYS N N -5.093 -0.270 0.190 1.00 . A A . 15 LYS N 1 1 1 213 1 1 15 LYS NZ N -6.909 3.482 -2.193 1.00 . A A . 15 LYS NZ 1 1 1 214 1 1 15 LYS O O -3.473 0.830 2.059 1.00 . A A . 15 LYS O 1 1 1 215 1 1 16 TYR C C -0.967 1.801 2.697 1.00 . A A . 16 TYR C 1 1 1 216 1 1 16 TYR CA C -0.747 0.336 2.317 1.00 . A A . 16 TYR CA 1 1 1 217 1 1 16 TYR CB C 0.719 0.111 1.949 1.00 . A A . 16 TYR CB 1 1 1 218 1 1 16 TYR CD1 C 1.051 -1.527 3.841 1.00 . A A . 16 TYR CD1 1 1 1 219 1 1 16 TYR CD2 C 2.834 -0.034 3.313 1.00 . A A . 16 TYR CD2 1 1 1 220 1 1 16 TYR CE1 C 1.811 -2.083 4.852 1.00 . A A . 16 TYR CE1 1 1 1 221 1 1 16 TYR CE2 C 3.599 -0.585 4.322 1.00 . A A . 16 TYR CE2 1 1 1 222 1 1 16 TYR CG C 1.549 -0.495 3.056 1.00 . A A . 16 TYR CG 1 1 1 223 1 1 16 TYR CZ C 3.083 -1.608 5.090 1.00 . A A . 16 TYR CZ 1 1 1 224 1 1 16 TYR H H -1.200 -0.577 0.463 1.00 . A A . 16 TYR H 1 1 1 225 1 1 16 TYR HA H -0.993 -0.284 3.166 1.00 . A A . 16 TYR HA 1 1 1 226 1 1 16 TYR HB2 H 0.768 -0.555 1.100 1.00 . A A . 16 TYR HB2 1 1 1 227 1 1 16 TYR HB3 H 1.163 1.058 1.683 1.00 . A A . 16 TYR HB3 1 1 1 228 1 1 16 TYR HD1 H 0.054 -1.897 3.651 1.00 . A A . 16 TYR HD1 1 1 1 229 1 1 16 TYR HD2 H 3.234 0.768 2.706 1.00 . A A . 16 TYR HD2 1 1 1 230 1 1 16 TYR HE1 H 1.407 -2.887 5.451 1.00 . A A . 16 TYR HE1 1 1 1 231 1 1 16 TYR HE2 H 4.597 -0.212 4.508 1.00 . A A . 16 TYR HE2 1 1 1 232 1 1 16 TYR HH H 3.753 -3.115 6.079 1.00 . A A . 16 TYR HH 1 1 1 233 1 1 16 TYR N N -1.599 -0.073 1.203 1.00 . A A . 16 TYR N 1 1 1 234 1 1 16 TYR O O -1.331 2.110 3.831 1.00 . A A . 16 TYR O 1 1 1 235 1 1 16 TYR OH O 3.843 -2.159 6.096 1.00 . A A . 16 TYR OH 1 1 1 236 1 1 17 LYS C C -2.233 4.473 2.607 1.00 . A A . 17 LYS C 1 1 1 237 1 1 17 LYS CA C -0.881 4.135 1.979 1.00 . A A . 17 LYS CA 1 1 1 238 1 1 17 LYS CB C -0.709 4.906 0.667 1.00 . A A . 17 LYS CB 1 1 1 239 1 1 17 LYS CD C -2.422 6.109 -0.732 1.00 . A A . 17 LYS CD 1 1 1 240 1 1 17 LYS CE C -1.460 6.818 -1.671 1.00 . A A . 17 LYS CE 1 1 1 241 1 1 17 LYS CG C -1.881 4.757 -0.295 1.00 . A A . 17 LYS CG 1 1 1 242 1 1 17 LYS H H -0.429 2.390 0.864 1.00 . A A . 17 LYS H 1 1 1 243 1 1 17 LYS HA H -0.101 4.438 2.661 1.00 . A A . 17 LYS HA 1 1 1 244 1 1 17 LYS HB2 H -0.589 5.954 0.894 1.00 . A A . 17 LYS HB2 1 1 1 245 1 1 17 LYS HB3 H 0.182 4.550 0.169 1.00 . A A . 17 LYS HB3 1 1 1 246 1 1 17 LYS HD2 H -3.363 5.963 -1.241 1.00 . A A . 17 LYS HD2 1 1 1 247 1 1 17 LYS HD3 H -2.576 6.724 0.143 1.00 . A A . 17 LYS HD3 1 1 1 248 1 1 17 LYS HE2 H -0.801 7.443 -1.087 1.00 . A A . 17 LYS HE2 1 1 1 249 1 1 17 LYS HE3 H -0.878 6.076 -2.197 1.00 . A A . 17 LYS HE3 1 1 1 250 1 1 17 LYS HG2 H -1.550 4.216 -1.169 1.00 . A A . 17 LYS HG2 1 1 1 251 1 1 17 LYS HG3 H -2.670 4.205 0.194 1.00 . A A . 17 LYS HG3 1 1 1 252 1 1 17 LYS HZ1 H -1.612 8.512 -2.884 1.00 . A A . 17 LYS HZ1 1 1 1 253 1 1 17 LYS HZ2 H -3.095 7.967 -2.281 1.00 . A A . 17 LYS HZ2 1 1 1 254 1 1 17 LYS HZ3 H -2.337 7.132 -3.540 1.00 . A A . 17 LYS HZ3 1 1 1 255 1 1 17 LYS N N -0.728 2.698 1.744 1.00 . A A . 17 LYS N 1 1 1 256 1 1 17 LYS NZ N -2.176 7.667 -2.664 1.00 . A A . 17 LYS NZ 1 1 1 257 1 1 17 LYS O O -2.379 5.505 3.263 1.00 . A A . 17 LYS O 1 1 1 258 1 1 18 GLN C C -4.785 3.065 4.223 1.00 . A A . 18 GLN C 1 1 1 259 1 1 18 GLN CA C -4.557 3.841 2.931 1.00 . A A . 18 GLN CA 1 1 1 260 1 1 18 GLN CB C -5.611 3.431 1.904 1.00 . A A . 18 GLN CB 1 1 1 261 1 1 18 GLN CD C -8.082 3.850 1.588 1.00 . A A . 18 GLN CD 1 1 1 262 1 1 18 GLN CG C -6.704 4.468 1.705 1.00 . A A . 18 GLN CG 1 1 1 263 1 1 18 GLN H H -3.052 2.813 1.853 1.00 . A A . 18 GLN H 1 1 1 264 1 1 18 GLN HA H -4.658 4.895 3.135 1.00 . A A . 18 GLN HA 1 1 1 265 1 1 18 GLN HB2 H -5.127 3.266 0.955 1.00 . A A . 18 GLN HB2 1 1 1 266 1 1 18 GLN HB3 H -6.074 2.507 2.228 1.00 . A A . 18 GLN HB3 1 1 1 267 1 1 18 GLN HE21 H -8.270 3.832 3.568 1.00 . A A . 18 GLN HE21 1 1 1 268 1 1 18 GLN HE22 H -9.613 3.202 2.681 1.00 . A A . 18 GLN HE22 1 1 1 269 1 1 18 GLN HG2 H -6.698 5.144 2.548 1.00 . A A . 18 GLN HG2 1 1 1 270 1 1 18 GLN HG3 H -6.494 5.021 0.801 1.00 . A A . 18 GLN HG3 1 1 1 271 1 1 18 GLN N N -3.220 3.613 2.393 1.00 . A A . 18 GLN N 1 1 1 272 1 1 18 GLN NE2 N -8.719 3.603 2.728 1.00 . A A . 18 GLN NE2 1 1 1 273 1 1 18 GLN O O -5.585 3.470 5.066 1.00 . A A . 18 GLN O 1 1 1 274 1 1 18 GLN OE1 O -8.571 3.596 0.487 1.00 . A A . 18 GLN OE1 1 1 1 275 1 1 19 CYS C C -3.039 1.182 6.471 1.00 . A A . 19 CYS C 1 1 1 276 1 1 19 CYS CA C -4.261 1.100 5.541 1.00 . A A . 19 CYS CA 1 1 1 277 1 1 19 CYS CB C -4.544 -0.337 5.094 1.00 . A A . 19 CYS CB 1 1 1 278 1 1 19 CYS H H -3.493 1.653 3.650 1.00 . A A . 19 CYS H 1 1 1 279 1 1 19 CYS HA H -5.122 1.464 6.081 1.00 . A A . 19 CYS HA 1 1 1 280 1 1 19 CYS HB2 H -5.236 -0.311 4.264 1.00 . A A . 19 CYS HB2 1 1 1 281 1 1 19 CYS HB3 H -3.622 -0.797 4.770 1.00 . A A . 19 CYS HB3 1 1 1 282 1 1 19 CYS N N -4.102 1.938 4.362 1.00 . A A . 19 CYS N 1 1 1 283 1 1 19 CYS O O -2.710 2.261 6.963 1.00 . A A . 19 CYS O 1 1 1 284 1 1 19 CYS SG S -5.266 -1.386 6.379 1.00 . A A . 19 CYS SG 1 1 1 285 1 1 20 HIS C C -0.091 0.910 7.090 1.00 . A A . 20 HIS C 1 1 1 286 1 1 20 HIS CA C -1.219 0.026 7.613 1.00 . A A . 20 HIS CA 1 1 1 287 1 1 20 HIS CB C -0.715 -1.408 7.790 1.00 . A A . 20 HIS CB 1 1 1 288 1 1 20 HIS CD2 C -1.532 -2.360 10.046 1.00 . A A . 20 HIS CD2 1 1 1 289 1 1 20 HIS CE1 C -3.127 -3.614 9.254 1.00 . A A . 20 HIS CE1 1 1 1 290 1 1 20 HIS CG C -1.572 -2.236 8.697 1.00 . A A . 20 HIS CG 1 1 1 291 1 1 20 HIS H H -2.685 -0.786 6.325 1.00 . A A . 20 HIS H 1 1 1 292 1 1 20 HIS HA H -1.534 0.404 8.575 1.00 . A A . 20 HIS HA 1 1 1 293 1 1 20 HIS HB2 H -0.685 -1.893 6.827 1.00 . A A . 20 HIS HB2 1 1 1 294 1 1 20 HIS HB3 H 0.281 -1.382 8.206 1.00 . A A . 20 HIS HB3 1 1 1 295 1 1 20 HIS HD2 H -0.851 -1.862 10.721 1.00 . A A . 20 HIS HD2 1 1 1 296 1 1 20 HIS HE1 H -3.954 -4.306 9.203 1.00 . A A . 20 HIS HE1 1 1 1 297 1 1 20 HIS HE2 H -2.636 -3.662 11.270 1.00 . A A . 20 HIS HE2 1 1 1 298 1 1 20 HIS N N -2.381 0.050 6.727 1.00 . A A . 20 HIS N 1 1 1 299 1 1 20 HIS ND1 N -2.579 -3.030 8.203 1.00 . A A . 20 HIS ND1 1 1 1 300 1 1 20 HIS NE2 N -2.526 -3.238 10.393 1.00 . A A . 20 HIS NE2 1 1 1 301 1 1 20 HIS O O 0.597 1.574 7.864 1.00 . A A . 20 HIS O 1 1 1 302 1 1 21 GLY C C 1.175 3.142 5.694 1.00 . A A . 21 GLY C 1 1 1 303 1 1 21 GLY CA C 1.158 1.714 5.178 1.00 . A A . 21 GLY CA 1 1 1 304 1 1 21 GLY H H -0.472 0.358 5.203 1.00 . A A . 21 GLY H 1 1 1 305 1 1 21 GLY HA2 H 2.110 1.255 5.399 1.00 . A A . 21 GLY HA2 1 1 1 306 1 1 21 GLY HA3 H 1.022 1.733 4.108 1.00 . A A . 21 GLY HA3 1 1 1 307 1 1 21 GLY N N 0.102 0.911 5.774 1.00 . A A . 21 GLY N 1 1 1 308 1 1 21 GLY O O 2.222 3.789 5.715 1.00 . A A . 21 GLY O 1 1 1 309 1 1 22 ARG C C -1.301 5.120 7.563 1.00 . A A . 22 ARG C 1 1 1 310 1 1 22 ARG CA C -0.100 4.992 6.631 1.00 . A A . 22 ARG CA 1 1 1 311 1 1 22 ARG CB C -0.222 5.992 5.479 1.00 . A A . 22 ARG CB 1 1 1 312 1 1 22 ARG CD C 1.311 7.949 5.854 1.00 . A A . 22 ARG CD 1 1 1 313 1 1 22 ARG CG C 1.097 6.646 5.100 1.00 . A A . 22 ARG CG 1 1 1 314 1 1 22 ARG CZ C 2.827 9.891 5.797 1.00 . A A . 22 ARG CZ 1 1 1 315 1 1 22 ARG H H -0.788 3.070 6.071 1.00 . A A . 22 ARG H 1 1 1 316 1 1 22 ARG HA H 0.798 5.208 7.190 1.00 . A A . 22 ARG HA 1 1 1 317 1 1 22 ARG HB2 H -0.606 5.479 4.611 1.00 . A A . 22 ARG HB2 1 1 1 318 1 1 22 ARG HB3 H -0.916 6.770 5.763 1.00 . A A . 22 ARG HB3 1 1 1 319 1 1 22 ARG HD2 H 0.426 8.558 5.752 1.00 . A A . 22 ARG HD2 1 1 1 320 1 1 22 ARG HD3 H 1.473 7.723 6.898 1.00 . A A . 22 ARG HD3 1 1 1 321 1 1 22 ARG HE H 2.987 8.278 4.630 1.00 . A A . 22 ARG HE 1 1 1 322 1 1 22 ARG HG2 H 1.904 5.969 5.336 1.00 . A A . 22 ARG HG2 1 1 1 323 1 1 22 ARG HG3 H 1.095 6.851 4.039 1.00 . A A . 22 ARG HG3 1 1 1 324 1 1 22 ARG HH11 H 1.339 10.029 7.159 1.00 . A A . 22 ARG HH11 1 1 1 325 1 1 22 ARG HH12 H 2.419 11.381 7.099 1.00 . A A . 22 ARG HH12 1 1 1 326 1 1 22 ARG HH21 H 4.409 10.055 4.549 1.00 . A A . 22 ARG HH21 1 1 1 327 1 1 22 ARG HH22 H 4.162 11.397 5.617 1.00 . A A . 22 ARG HH22 1 1 1 328 1 1 22 ARG N N 0.012 3.634 6.112 1.00 . A A . 22 ARG N 1 1 1 329 1 1 22 ARG NE N 2.461 8.693 5.346 1.00 . A A . 22 ARG NE 1 1 1 330 1 1 22 ARG NH1 N 2.138 10.481 6.764 1.00 . A A . 22 ARG NH1 1 1 1 331 1 1 22 ARG NH2 N 3.886 10.498 5.278 1.00 . A A . 22 ARG NH2 1 1 1 332 1 1 22 ARG O O -1.088 5.259 8.785 1.00 . A A . 22 ARG O 1 1 1 333 1 1 22 ARG OXT O -2.445 5.081 7.062 1.00 . A A . 22 ARG OXT 1 1 1 334 2 2 1 ZN ZN ZN -3.712 -3.151 6.514 1.00 . B A . 23 ZN ZN 1 1 2 335 1 1 1 LYS C C 8.853 -2.186 0.843 1.00 . A A . 1 LYS C 1 1 2 336 1 1 1 LYS CA C 9.859 -1.496 1.758 1.00 . A A . 1 LYS CA 1 1 2 337 1 1 1 LYS CB C 9.767 0.022 1.593 1.00 . A A . 1 LYS CB 1 1 2 338 1 1 1 LYS CD C 9.825 1.930 -0.040 1.00 . A A . 1 LYS CD 1 1 2 339 1 1 1 LYS CE C 10.734 2.982 0.574 1.00 . A A . 1 LYS CE 1 1 2 340 1 1 1 LYS CG C 10.313 0.524 0.266 1.00 . A A . 1 LYS CG 1 1 2 341 1 1 1 LYS H1 H 11.889 -1.392 2.071 1.00 . A A . 1 LYS H1 1 1 2 342 1 1 1 LYS H2 H 11.429 -1.709 0.447 1.00 . A A . 1 LYS H2 1 1 2 343 1 1 1 LYS H3 H 11.314 -2.945 1.632 1.00 . A A . 1 LYS H3 1 1 2 344 1 1 1 LYS HA H 9.638 -1.757 2.783 1.00 . A A . 1 LYS HA 1 1 2 345 1 1 1 LYS HB2 H 8.732 0.319 1.667 1.00 . A A . 1 LYS HB2 1 1 2 346 1 1 1 LYS HB3 H 10.326 0.493 2.389 1.00 . A A . 1 LYS HB3 1 1 2 347 1 1 1 LYS HD2 H 9.803 2.068 -1.110 1.00 . A A . 1 LYS HD2 1 1 2 348 1 1 1 LYS HD3 H 8.829 2.050 0.361 1.00 . A A . 1 LYS HD3 1 1 2 349 1 1 1 LYS HE2 H 10.621 2.955 1.647 1.00 . A A . 1 LYS HE2 1 1 2 350 1 1 1 LYS HE3 H 11.757 2.750 0.315 1.00 . A A . 1 LYS HE3 1 1 2 351 1 1 1 LYS HG2 H 11.392 0.531 0.311 1.00 . A A . 1 LYS HG2 1 1 2 352 1 1 1 LYS HG3 H 9.987 -0.141 -0.521 1.00 . A A . 1 LYS HG3 1 1 2 353 1 1 1 LYS HZ1 H 10.429 4.374 -0.953 1.00 . A A . 1 LYS HZ1 1 1 2 354 1 1 1 LYS HZ2 H 11.104 5.034 0.450 1.00 . A A . 1 LYS HZ2 1 1 2 355 1 1 1 LYS HZ3 H 9.462 4.631 0.412 1.00 . A A . 1 LYS HZ3 1 1 2 356 1 1 1 LYS N N 11.248 -1.924 1.450 1.00 . A A . 1 LYS N 1 1 2 357 1 1 1 LYS NZ N 10.410 4.350 0.086 1.00 . A A . 1 LYS NZ 1 1 2 358 1 1 1 LYS O O 9.219 -3.038 0.033 1.00 . A A . 1 LYS O 1 1 2 359 1 1 2 VAL C C 5.899 -1.358 -0.756 1.00 . A A . 2 VAL C 1 1 2 360 1 1 2 VAL CA C 6.526 -2.398 0.163 1.00 . A A . 2 VAL CA 1 1 2 361 1 1 2 VAL CB C 5.414 -3.013 1.038 1.00 . A A . 2 VAL CB 1 1 2 362 1 1 2 VAL CG1 C 4.741 -1.941 1.885 1.00 . A A . 2 VAL CG1 1 1 2 363 1 1 2 VAL CG2 C 4.388 -3.734 0.172 1.00 . A A . 2 VAL CG2 1 1 2 364 1 1 2 VAL H H 7.354 -1.131 1.642 1.00 . A A . 2 VAL H 1 1 2 365 1 1 2 VAL HA H 6.959 -3.184 -0.437 1.00 . A A . 2 VAL HA 1 1 2 366 1 1 2 VAL HB H 5.863 -3.736 1.703 1.00 . A A . 2 VAL HB 1 1 2 367 1 1 2 VAL HG11 H 4.493 -1.091 1.263 1.00 . A A . 2 VAL HG11 1 1 2 368 1 1 2 VAL HG12 H 5.414 -1.627 2.669 1.00 . A A . 2 VAL HG12 1 1 2 369 1 1 2 VAL HG13 H 3.838 -2.341 2.323 1.00 . A A . 2 VAL HG13 1 1 2 370 1 1 2 VAL HG21 H 3.975 -4.567 0.721 1.00 . A A . 2 VAL HG21 1 1 2 371 1 1 2 VAL HG22 H 4.866 -4.095 -0.726 1.00 . A A . 2 VAL HG22 1 1 2 372 1 1 2 VAL HG23 H 3.595 -3.049 -0.093 1.00 . A A . 2 VAL HG23 1 1 2 373 1 1 2 VAL N N 7.584 -1.815 0.978 1.00 . A A . 2 VAL N 1 1 2 374 1 1 2 VAL O O 5.822 -0.179 -0.413 1.00 . A A . 2 VAL O 1 1 2 375 1 1 3 GLY C C 3.431 -0.475 -2.354 1.00 . A A . 3 GLY C 1 1 2 376 1 1 3 GLY CA C 4.796 -0.902 -2.847 1.00 . A A . 3 GLY CA 1 1 2 377 1 1 3 GLY H H 5.505 -2.761 -2.128 1.00 . A A . 3 GLY H 1 1 2 378 1 1 3 GLY HA2 H 5.418 -0.027 -2.971 1.00 . A A . 3 GLY HA2 1 1 2 379 1 1 3 GLY HA3 H 4.686 -1.397 -3.800 1.00 . A A . 3 GLY HA3 1 1 2 380 1 1 3 GLY N N 5.432 -1.807 -1.914 1.00 . A A . 3 GLY N 1 1 2 381 1 1 3 GLY O O 2.418 -1.040 -2.758 1.00 . A A . 3 GLY O 1 1 2 382 1 1 4 ARG C C 0.998 1.005 -1.841 1.00 . A A . 4 ARG C 1 1 2 383 1 1 4 ARG CA C 2.171 1.017 -0.859 1.00 . A A . 4 ARG CA 1 1 2 384 1 1 4 ARG CB C 2.362 2.433 -0.298 1.00 . A A . 4 ARG CB 1 1 2 385 1 1 4 ARG CD C 4.178 4.121 0.059 1.00 . A A . 4 ARG CD 1 1 2 386 1 1 4 ARG CG C 3.477 3.235 -0.953 1.00 . A A . 4 ARG CG 1 1 2 387 1 1 4 ARG CZ C 6.399 4.580 -0.906 1.00 . A A . 4 ARG CZ 1 1 2 388 1 1 4 ARG H H 4.266 0.890 -1.160 1.00 . A A . 4 ARG H 1 1 2 389 1 1 4 ARG HA H 1.929 0.364 -0.040 1.00 . A A . 4 ARG HA 1 1 2 390 1 1 4 ARG HB2 H 1.440 2.981 -0.425 1.00 . A A . 4 ARG HB2 1 1 2 391 1 1 4 ARG HB3 H 2.577 2.358 0.758 1.00 . A A . 4 ARG HB3 1 1 2 392 1 1 4 ARG HD2 H 3.439 4.737 0.550 1.00 . A A . 4 ARG HD2 1 1 2 393 1 1 4 ARG HD3 H 4.662 3.491 0.791 1.00 . A A . 4 ARG HD3 1 1 2 394 1 1 4 ARG HE H 4.927 5.917 -0.735 1.00 . A A . 4 ARG HE 1 1 2 395 1 1 4 ARG HG2 H 4.198 2.559 -1.381 1.00 . A A . 4 ARG HG2 1 1 2 396 1 1 4 ARG HG3 H 3.055 3.855 -1.730 1.00 . A A . 4 ARG HG3 1 1 2 397 1 1 4 ARG HH11 H 6.139 2.678 -0.269 1.00 . A A . 4 ARG HH11 1 1 2 398 1 1 4 ARG HH12 H 7.692 3.027 -0.951 1.00 . A A . 4 ARG HH12 1 1 2 399 1 1 4 ARG HH21 H 6.969 6.378 -1.631 1.00 . A A . 4 ARG HH21 1 1 2 400 1 1 4 ARG HH22 H 8.164 5.128 -1.723 1.00 . A A . 4 ARG HH22 1 1 2 401 1 1 4 ARG N N 3.413 0.508 -1.453 1.00 . A A . 4 ARG N 1 1 2 402 1 1 4 ARG NE N 5.178 4.985 -0.564 1.00 . A A . 4 ARG NE 1 1 2 403 1 1 4 ARG NH1 N 6.774 3.325 -0.691 1.00 . A A . 4 ARG NH1 1 1 2 404 1 1 4 ARG NH2 N 7.246 5.431 -1.466 1.00 . A A . 4 ARG NH2 1 1 2 405 1 1 4 ARG O O -0.147 0.800 -1.441 1.00 . A A . 4 ARG O 1 1 2 406 1 1 5 ASN C C -0.461 -0.125 -4.258 1.00 . A A . 5 ASN C 1 1 2 407 1 1 5 ASN CA C 0.242 1.232 -4.146 1.00 . A A . 5 ASN CA 1 1 2 408 1 1 5 ASN CB C 0.842 1.616 -5.500 1.00 . A A . 5 ASN CB 1 1 2 409 1 1 5 ASN CG C -0.173 2.269 -6.418 1.00 . A A . 5 ASN CG 1 1 2 410 1 1 5 ASN H H 2.212 1.380 -3.382 1.00 . A A . 5 ASN H 1 1 2 411 1 1 5 ASN HA H -0.488 1.976 -3.867 1.00 . A A . 5 ASN HA 1 1 2 412 1 1 5 ASN HB2 H 1.655 2.309 -5.344 1.00 . A A . 5 ASN HB2 1 1 2 413 1 1 5 ASN HB3 H 1.219 0.728 -5.985 1.00 . A A . 5 ASN HB3 1 1 2 414 1 1 5 ASN HD21 H 0.554 4.068 -5.982 1.00 . A A . 5 ASN HD21 1 1 2 415 1 1 5 ASN HD22 H -0.769 4.042 -7.093 1.00 . A A . 5 ASN HD22 1 1 2 416 1 1 5 ASN N N 1.283 1.222 -3.120 1.00 . A A . 5 ASN N 1 1 2 417 1 1 5 ASN ND2 N -0.124 3.594 -6.506 1.00 . A A . 5 ASN ND2 1 1 2 418 1 1 5 ASN O O -1.456 -0.257 -4.970 1.00 . A A . 5 ASN O 1 1 2 419 1 1 5 ASN OD1 O -0.991 1.592 -7.040 1.00 . A A . 5 ASN OD1 1 1 2 420 1 1 6 ASP C C -1.400 -2.698 -2.356 1.00 . A A . 6 ASP C 1 1 2 421 1 1 6 ASP CA C -0.519 -2.468 -3.582 1.00 . A A . 6 ASP CA 1 1 2 422 1 1 6 ASP CB C 0.596 -3.519 -3.635 1.00 . A A . 6 ASP CB 1 1 2 423 1 1 6 ASP CG C 0.082 -4.938 -3.484 1.00 . A A . 6 ASP CG 1 1 2 424 1 1 6 ASP H H 0.851 -0.974 -3.008 1.00 . A A . 6 ASP H 1 1 2 425 1 1 6 ASP HA H -1.125 -2.552 -4.472 1.00 . A A . 6 ASP HA 1 1 2 426 1 1 6 ASP HB2 H 1.105 -3.443 -4.584 1.00 . A A . 6 ASP HB2 1 1 2 427 1 1 6 ASP HB3 H 1.300 -3.325 -2.839 1.00 . A A . 6 ASP HB3 1 1 2 428 1 1 6 ASP N N 0.059 -1.131 -3.556 1.00 . A A . 6 ASP N 1 1 2 429 1 1 6 ASP O O -1.098 -2.211 -1.266 1.00 . A A . 6 ASP O 1 1 2 430 1 1 6 ASP OD1 O -0.185 -5.354 -2.337 1.00 . A A . 6 ASP OD1 1 1 2 431 1 1 6 ASP OD2 O -0.055 -5.633 -4.513 1.00 . A A . 6 ASP OD2 1 1 2 432 1 1 7 PRO C C -2.697 -4.231 -0.166 1.00 . A A . 7 PRO C 1 1 2 433 1 1 7 PRO CA C -3.424 -3.746 -1.417 1.00 . A A . 7 PRO CA 1 1 2 434 1 1 7 PRO CB C -4.327 -4.858 -1.981 1.00 . A A . 7 PRO CB 1 1 2 435 1 1 7 PRO CD C -2.941 -4.073 -3.768 1.00 . A A . 7 PRO CD 1 1 2 436 1 1 7 PRO CG C -3.709 -5.265 -3.281 1.00 . A A . 7 PRO CG 1 1 2 437 1 1 7 PRO HA H -4.027 -2.886 -1.167 1.00 . A A . 7 PRO HA 1 1 2 438 1 1 7 PRO HB2 H -4.358 -5.684 -1.287 1.00 . A A . 7 PRO HB2 1 1 2 439 1 1 7 PRO HB3 H -5.325 -4.472 -2.127 1.00 . A A . 7 PRO HB3 1 1 2 440 1 1 7 PRO HD2 H -2.097 -4.381 -4.367 1.00 . A A . 7 PRO HD2 1 1 2 441 1 1 7 PRO HD3 H -3.584 -3.409 -4.326 1.00 . A A . 7 PRO HD3 1 1 2 442 1 1 7 PRO HG2 H -3.042 -6.101 -3.125 1.00 . A A . 7 PRO HG2 1 1 2 443 1 1 7 PRO HG3 H -4.482 -5.529 -3.988 1.00 . A A . 7 PRO HG3 1 1 2 444 1 1 7 PRO N N -2.503 -3.450 -2.515 1.00 . A A . 7 PRO N 1 1 2 445 1 1 7 PRO O O -2.000 -5.245 -0.197 1.00 . A A . 7 PRO O 1 1 2 446 1 1 8 CYS C C -2.131 -5.336 2.420 1.00 . A A . 8 CYS C 1 1 2 447 1 1 8 CYS CA C -2.233 -3.822 2.212 1.00 . A A . 8 CYS CA 1 1 2 448 1 1 8 CYS CB C -3.026 -3.195 3.361 1.00 . A A . 8 CYS CB 1 1 2 449 1 1 8 CYS H H -3.431 -2.693 0.877 1.00 . A A . 8 CYS H 1 1 2 450 1 1 8 CYS HA H -1.239 -3.402 2.204 1.00 . A A . 8 CYS HA 1 1 2 451 1 1 8 CYS HB2 H -3.374 -2.218 3.058 1.00 . A A . 8 CYS HB2 1 1 2 452 1 1 8 CYS HB3 H -3.879 -3.820 3.583 1.00 . A A . 8 CYS HB3 1 1 2 453 1 1 8 CYS N N -2.866 -3.491 0.931 1.00 . A A . 8 CYS N 1 1 2 454 1 1 8 CYS O O -3.096 -6.067 2.192 1.00 . A A . 8 CYS O 1 1 2 455 1 1 8 CYS SG S -2.082 -2.988 4.890 1.00 . A A . 8 CYS SG 1 1 2 456 1 1 9 PRO C C -1.649 -7.834 4.163 1.00 . A A . 9 PRO C 1 1 2 457 1 1 9 PRO CA C -0.733 -7.261 3.084 1.00 . A A . 9 PRO CA 1 1 2 458 1 1 9 PRO CB C 0.732 -7.337 3.532 1.00 . A A . 9 PRO CB 1 1 2 459 1 1 9 PRO CD C 0.250 -5.033 3.145 1.00 . A A . 9 PRO CD 1 1 2 460 1 1 9 PRO CG C 1.069 -5.961 3.993 1.00 . A A . 9 PRO CG 1 1 2 461 1 1 9 PRO HA H -0.860 -7.828 2.174 1.00 . A A . 9 PRO HA 1 1 2 462 1 1 9 PRO HB2 H 0.828 -8.054 4.333 1.00 . A A . 9 PRO HB2 1 1 2 463 1 1 9 PRO HB3 H 1.350 -7.635 2.699 1.00 . A A . 9 PRO HB3 1 1 2 464 1 1 9 PRO HD2 H 0.000 -4.139 3.697 1.00 . A A . 9 PRO HD2 1 1 2 465 1 1 9 PRO HD3 H 0.777 -4.784 2.236 1.00 . A A . 9 PRO HD3 1 1 2 466 1 1 9 PRO HG2 H 0.809 -5.847 5.034 1.00 . A A . 9 PRO HG2 1 1 2 467 1 1 9 PRO HG3 H 2.123 -5.771 3.845 1.00 . A A . 9 PRO HG3 1 1 2 468 1 1 9 PRO N N -0.956 -5.827 2.853 1.00 . A A . 9 PRO N 1 1 2 469 1 1 9 PRO O O -1.824 -9.049 4.255 1.00 . A A . 9 PRO O 1 1 2 470 1 1 10 CYS C C -4.287 -8.216 5.490 1.00 . A A . 10 CYS C 1 1 2 471 1 1 10 CYS CA C -3.127 -7.394 6.047 1.00 . A A . 10 CYS CA 1 1 2 472 1 1 10 CYS CB C -3.659 -6.185 6.822 1.00 . A A . 10 CYS CB 1 1 2 473 1 1 10 CYS H H -2.057 -6.003 4.860 1.00 . A A . 10 CYS H 1 1 2 474 1 1 10 CYS HA H -2.555 -8.016 6.720 1.00 . A A . 10 CYS HA 1 1 2 475 1 1 10 CYS HB2 H -4.192 -6.535 7.694 1.00 . A A . 10 CYS HB2 1 1 2 476 1 1 10 CYS HB3 H -2.825 -5.576 7.138 1.00 . A A . 10 CYS HB3 1 1 2 477 1 1 10 CYS N N -2.232 -6.960 4.978 1.00 . A A . 10 CYS N 1 1 2 478 1 1 10 CYS O O -4.836 -9.076 6.178 1.00 . A A . 10 CYS O 1 1 2 479 1 1 10 CYS SG S -4.784 -5.132 5.878 1.00 . A A . 10 CYS SG 1 1 2 480 1 1 11 GLY C C -7.094 -8.032 3.873 1.00 . A A . 11 GLY C 1 1 2 481 1 1 11 GLY CA C -5.744 -8.672 3.614 1.00 . A A . 11 GLY CA 1 1 2 482 1 1 11 GLY H H -4.179 -7.252 3.738 1.00 . A A . 11 GLY H 1 1 2 483 1 1 11 GLY HA2 H -5.574 -8.707 2.549 1.00 . A A . 11 GLY HA2 1 1 2 484 1 1 11 GLY HA3 H -5.758 -9.681 3.999 1.00 . A A . 11 GLY HA3 1 1 2 485 1 1 11 GLY N N -4.654 -7.947 4.241 1.00 . A A . 11 GLY N 1 1 2 486 1 1 11 GLY O O -8.114 -8.719 3.935 1.00 . A A . 11 GLY O 1 1 2 487 1 1 12 SER C C -8.982 -5.536 2.968 1.00 . A A . 12 SER C 1 1 2 488 1 1 12 SER CA C -8.334 -5.977 4.276 1.00 . A A . 12 SER CA 1 1 2 489 1 1 12 SER CB C -8.055 -4.757 5.157 1.00 . A A . 12 SER CB 1 1 2 490 1 1 12 SER H H -6.255 -6.220 3.963 1.00 . A A . 12 SER H 1 1 2 491 1 1 12 SER HA H -9.012 -6.637 4.797 1.00 . A A . 12 SER HA 1 1 2 492 1 1 12 SER HB2 H -8.985 -4.260 5.386 1.00 . A A . 12 SER HB2 1 1 2 493 1 1 12 SER HB3 H -7.583 -5.078 6.074 1.00 . A A . 12 SER HB3 1 1 2 494 1 1 12 SER HG H -7.676 -3.027 4.319 1.00 . A A . 12 SER HG 1 1 2 495 1 1 12 SER N N -7.100 -6.712 4.024 1.00 . A A . 12 SER N 1 1 2 496 1 1 12 SER O O -10.177 -5.742 2.755 1.00 . A A . 12 SER O 1 1 2 497 1 1 12 SER OG O -7.197 -3.839 4.499 1.00 . A A . 12 SER OG 1 1 2 498 1 1 13 GLY C C -8.113 -3.130 0.411 1.00 . A A . 13 GLY C 1 1 2 499 1 1 13 GLY CA C -8.697 -4.468 0.819 1.00 . A A . 13 GLY CA 1 1 2 500 1 1 13 GLY H H -7.241 -4.794 2.322 1.00 . A A . 13 GLY H 1 1 2 501 1 1 13 GLY HA2 H -8.456 -5.199 0.062 1.00 . A A . 13 GLY HA2 1 1 2 502 1 1 13 GLY HA3 H -9.771 -4.375 0.886 1.00 . A A . 13 GLY HA3 1 1 2 503 1 1 13 GLY N N -8.185 -4.929 2.095 1.00 . A A . 13 GLY N 1 1 2 504 1 1 13 GLY O O -8.021 -2.820 -0.777 1.00 . A A . 13 GLY O 1 1 2 505 1 1 14 LYS C C -5.632 -1.115 0.948 1.00 . A A . 14 LYS C 1 1 2 506 1 1 14 LYS CA C -7.141 -1.019 1.138 1.00 . A A . 14 LYS CA 1 1 2 507 1 1 14 LYS CB C -7.458 -0.062 2.288 1.00 . A A . 14 LYS CB 1 1 2 508 1 1 14 LYS CD C -9.194 1.660 2.872 1.00 . A A . 14 LYS CD 1 1 2 509 1 1 14 LYS CE C -10.537 1.812 3.569 1.00 . A A . 14 LYS CE 1 1 2 510 1 1 14 LYS CG C -8.943 0.220 2.455 1.00 . A A . 14 LYS CG 1 1 2 511 1 1 14 LYS H H -7.818 -2.634 2.326 1.00 . A A . 14 LYS H 1 1 2 512 1 1 14 LYS HA H -7.583 -0.636 0.231 1.00 . A A . 14 LYS HA 1 1 2 513 1 1 14 LYS HB2 H -7.089 -0.489 3.209 1.00 . A A . 14 LYS HB2 1 1 2 514 1 1 14 LYS HB3 H -6.954 0.877 2.109 1.00 . A A . 14 LYS HB3 1 1 2 515 1 1 14 LYS HD2 H -8.412 1.970 3.548 1.00 . A A . 14 LYS HD2 1 1 2 516 1 1 14 LYS HD3 H -9.182 2.286 1.991 1.00 . A A . 14 LYS HD3 1 1 2 517 1 1 14 LYS HE2 H -10.840 0.850 3.954 1.00 . A A . 14 LYS HE2 1 1 2 518 1 1 14 LYS HE3 H -10.425 2.508 4.387 1.00 . A A . 14 LYS HE3 1 1 2 519 1 1 14 LYS HG2 H -9.442 0.035 1.515 1.00 . A A . 14 LYS HG2 1 1 2 520 1 1 14 LYS HG3 H -9.341 -0.440 3.213 1.00 . A A . 14 LYS HG3 1 1 2 521 1 1 14 LYS HZ1 H -12.507 2.349 3.131 1.00 . A A . 14 LYS HZ1 1 1 2 522 1 1 14 LYS HZ2 H -11.669 1.688 1.818 1.00 . A A . 14 LYS HZ2 1 1 2 523 1 1 14 LYS HZ3 H -11.348 3.273 2.316 1.00 . A A . 14 LYS HZ3 1 1 2 524 1 1 14 LYS N N -7.718 -2.332 1.399 1.00 . A A . 14 LYS N 1 1 2 525 1 1 14 LYS NZ N -11.589 2.316 2.644 1.00 . A A . 14 LYS NZ 1 1 2 526 1 1 14 LYS O O -4.979 -1.992 1.516 1.00 . A A . 14 LYS O 1 1 2 527 1 1 15 LYS C C -2.878 0.186 1.153 1.00 . A A . 15 LYS C 1 1 2 528 1 1 15 LYS CA C -3.646 -0.187 -0.110 1.00 . A A . 15 LYS CA 1 1 2 529 1 1 15 LYS CB C -3.322 0.799 -1.233 1.00 . A A . 15 LYS CB 1 1 2 530 1 1 15 LYS CD C -4.452 1.235 -3.440 1.00 . A A . 15 LYS CD 1 1 2 531 1 1 15 LYS CE C -5.884 0.752 -3.606 1.00 . A A . 15 LYS CE 1 1 2 532 1 1 15 LYS CG C -3.623 0.256 -2.622 1.00 . A A . 15 LYS CG 1 1 2 533 1 1 15 LYS H H -5.652 0.469 -0.271 1.00 . A A . 15 LYS H 1 1 2 534 1 1 15 LYS HA H -3.352 -1.180 -0.415 1.00 . A A . 15 LYS HA 1 1 2 535 1 1 15 LYS HB2 H -3.902 1.698 -1.087 1.00 . A A . 15 LYS HB2 1 1 2 536 1 1 15 LYS HB3 H -2.272 1.047 -1.188 1.00 . A A . 15 LYS HB3 1 1 2 537 1 1 15 LYS HD2 H -4.462 2.193 -2.941 1.00 . A A . 15 LYS HD2 1 1 2 538 1 1 15 LYS HD3 H -4.004 1.343 -4.417 1.00 . A A . 15 LYS HD3 1 1 2 539 1 1 15 LYS HE2 H -6.125 0.091 -2.786 1.00 . A A . 15 LYS HE2 1 1 2 540 1 1 15 LYS HE3 H -6.545 1.608 -3.581 1.00 . A A . 15 LYS HE3 1 1 2 541 1 1 15 LYS HG2 H -2.692 0.074 -3.135 1.00 . A A . 15 LYS HG2 1 1 2 542 1 1 15 LYS HG3 H -4.169 -0.671 -2.525 1.00 . A A . 15 LYS HG3 1 1 2 543 1 1 15 LYS HZ1 H -5.373 0.331 -5.586 1.00 . A A . 15 LYS HZ1 1 1 2 544 1 1 15 LYS HZ2 H -7.030 0.217 -5.268 1.00 . A A . 15 LYS HZ2 1 1 2 545 1 1 15 LYS HZ3 H -5.982 -1.000 -4.738 1.00 . A A . 15 LYS HZ3 1 1 2 546 1 1 15 LYS N N -5.081 -0.206 0.150 1.00 . A A . 15 LYS N 1 1 2 547 1 1 15 LYS NZ N -6.081 0.025 -4.890 1.00 . A A . 15 LYS NZ 1 1 2 548 1 1 15 LYS O O -3.445 0.739 2.094 1.00 . A A . 15 LYS O 1 1 2 549 1 1 16 TYR C C -0.941 1.616 2.799 1.00 . A A . 16 TYR C 1 1 2 550 1 1 16 TYR CA C -0.736 0.181 2.321 1.00 . A A . 16 TYR CA 1 1 2 551 1 1 16 TYR CB C 0.732 -0.043 1.960 1.00 . A A . 16 TYR CB 1 1 2 552 1 1 16 TYR CD1 C 1.073 -1.615 3.905 1.00 . A A . 16 TYR CD1 1 1 2 553 1 1 16 TYR CD2 C 2.847 -0.130 3.330 1.00 . A A . 16 TYR CD2 1 1 2 554 1 1 16 TYR CE1 C 1.835 -2.133 4.936 1.00 . A A . 16 TYR CE1 1 1 2 555 1 1 16 TYR CE2 C 3.616 -0.643 4.358 1.00 . A A . 16 TYR CE2 1 1 2 556 1 1 16 TYR CG C 1.565 -0.606 3.087 1.00 . A A . 16 TYR CG 1 1 2 557 1 1 16 TYR CZ C 3.106 -1.643 5.157 1.00 . A A . 16 TYR CZ 1 1 2 558 1 1 16 TYR H H -1.187 -0.564 0.390 1.00 . A A . 16 TYR H 1 1 2 559 1 1 16 TYR HA H -1.009 -0.493 3.118 1.00 . A A . 16 TYR HA 1 1 2 560 1 1 16 TYR HB2 H 0.789 -0.732 1.132 1.00 . A A . 16 TYR HB2 1 1 2 561 1 1 16 TYR HB3 H 1.167 0.902 1.666 1.00 . A A . 16 TYR HB3 1 1 2 562 1 1 16 TYR HD1 H 0.079 -1.997 3.728 1.00 . A A . 16 TYR HD1 1 1 2 563 1 1 16 TYR HD2 H 3.244 0.655 2.700 1.00 . A A . 16 TYR HD2 1 1 2 564 1 1 16 TYR HE1 H 1.435 -2.918 5.561 1.00 . A A . 16 TYR HE1 1 1 2 565 1 1 16 TYR HE2 H 4.610 -0.258 4.531 1.00 . A A . 16 TYR HE2 1 1 2 566 1 1 16 TYR HH H 3.309 -2.319 6.946 1.00 . A A . 16 TYR HH 1 1 2 567 1 1 16 TYR N N -1.583 -0.121 1.170 1.00 . A A . 16 TYR N 1 1 2 568 1 1 16 TYR O O -1.439 1.849 3.901 1.00 . A A . 16 TYR O 1 1 2 569 1 1 16 TYR OH O 3.867 -2.156 6.182 1.00 . A A . 16 TYR OH 1 1 2 570 1 1 17 LYS C C -2.105 4.318 2.767 1.00 . A A . 17 LYS C 1 1 2 571 1 1 17 LYS CA C -0.687 3.992 2.302 1.00 . A A . 17 LYS CA 1 1 2 572 1 1 17 LYS CB C -0.324 4.861 1.096 1.00 . A A . 17 LYS CB 1 1 2 573 1 1 17 LYS CD C -1.505 5.628 -0.987 1.00 . A A . 17 LYS CD 1 1 2 574 1 1 17 LYS CE C -1.296 5.430 -2.480 1.00 . A A . 17 LYS CE 1 1 2 575 1 1 17 LYS CG C -1.009 4.431 -0.192 1.00 . A A . 17 LYS CG 1 1 2 576 1 1 17 LYS H H -0.159 2.328 1.101 1.00 . A A . 17 LYS H 1 1 2 577 1 1 17 LYS HA H 0.000 4.207 3.106 1.00 . A A . 17 LYS HA 1 1 2 578 1 1 17 LYS HB2 H -0.605 5.882 1.305 1.00 . A A . 17 LYS HB2 1 1 2 579 1 1 17 LYS HB3 H 0.744 4.815 0.943 1.00 . A A . 17 LYS HB3 1 1 2 580 1 1 17 LYS HD2 H -2.558 5.764 -0.797 1.00 . A A . 17 LYS HD2 1 1 2 581 1 1 17 LYS HD3 H -0.963 6.508 -0.670 1.00 . A A . 17 LYS HD3 1 1 2 582 1 1 17 LYS HE2 H -0.420 4.816 -2.630 1.00 . A A . 17 LYS HE2 1 1 2 583 1 1 17 LYS HE3 H -2.161 4.928 -2.887 1.00 . A A . 17 LYS HE3 1 1 2 584 1 1 17 LYS HG2 H -0.305 3.877 -0.794 1.00 . A A . 17 LYS HG2 1 1 2 585 1 1 17 LYS HG3 H -1.851 3.799 0.054 1.00 . A A . 17 LYS HG3 1 1 2 586 1 1 17 LYS HZ1 H -1.829 7.408 -2.887 1.00 . A A . 17 LYS HZ1 1 1 2 587 1 1 17 LYS HZ2 H -1.188 6.584 -4.218 1.00 . A A . 17 LYS HZ2 1 1 2 588 1 1 17 LYS HZ3 H -0.164 7.113 -2.981 1.00 . A A . 17 LYS HZ3 1 1 2 589 1 1 17 LYS N N -0.551 2.576 1.964 1.00 . A A . 17 LYS N 1 1 2 590 1 1 17 LYS NZ N -1.106 6.724 -3.191 1.00 . A A . 17 LYS NZ 1 1 2 591 1 1 17 LYS O O -2.319 5.272 3.515 1.00 . A A . 17 LYS O 1 1 2 592 1 1 18 GLN C C -4.821 2.960 3.955 1.00 . A A . 18 GLN C 1 1 2 593 1 1 18 GLN CA C -4.465 3.724 2.686 1.00 . A A . 18 GLN CA 1 1 2 594 1 1 18 GLN CB C -5.383 3.264 1.553 1.00 . A A . 18 GLN CB 1 1 2 595 1 1 18 GLN CD C -5.342 5.095 -0.186 1.00 . A A . 18 GLN CD 1 1 2 596 1 1 18 GLN CG C -4.914 3.686 0.169 1.00 . A A . 18 GLN CG 1 1 2 597 1 1 18 GLN H H -2.836 2.779 1.723 1.00 . A A . 18 GLN H 1 1 2 598 1 1 18 GLN HA H -4.618 4.779 2.856 1.00 . A A . 18 GLN HA 1 1 2 599 1 1 18 GLN HB2 H -5.445 2.183 1.577 1.00 . A A . 18 GLN HB2 1 1 2 600 1 1 18 GLN HB3 H -6.369 3.673 1.716 1.00 . A A . 18 GLN HB3 1 1 2 601 1 1 18 GLN HE21 H -6.681 4.389 -1.476 1.00 . A A . 18 GLN HE21 1 1 2 602 1 1 18 GLN HE22 H -6.603 6.110 -1.342 1.00 . A A . 18 GLN HE22 1 1 2 603 1 1 18 GLN HG2 H -3.836 3.634 0.137 1.00 . A A . 18 GLN HG2 1 1 2 604 1 1 18 GLN HG3 H -5.327 3.005 -0.560 1.00 . A A . 18 GLN HG3 1 1 2 605 1 1 18 GLN N N -3.069 3.521 2.318 1.00 . A A . 18 GLN N 1 1 2 606 1 1 18 GLN NE2 N -6.306 5.210 -1.093 1.00 . A A . 18 GLN NE2 1 1 2 607 1 1 18 GLN O O -5.822 3.256 4.608 1.00 . A A . 18 GLN O 1 1 2 608 1 1 18 GLN OE1 O -4.814 6.071 0.348 1.00 . A A . 18 GLN OE1 1 1 2 609 1 1 19 CYS C C -3.117 1.226 6.480 1.00 . A A . 19 CYS C 1 1 2 610 1 1 19 CYS CA C -4.269 1.139 5.465 1.00 . A A . 19 CYS CA 1 1 2 611 1 1 19 CYS CB C -4.532 -0.303 5.022 1.00 . A A . 19 CYS CB 1 1 2 612 1 1 19 CYS H H -3.242 1.754 3.723 1.00 . A A . 19 CYS H 1 1 2 613 1 1 19 CYS HA H -5.163 1.521 5.937 1.00 . A A . 19 CYS HA 1 1 2 614 1 1 19 CYS HB2 H -5.171 -0.286 4.150 1.00 . A A . 19 CYS HB2 1 1 2 615 1 1 19 CYS HB3 H -3.593 -0.770 4.762 1.00 . A A . 19 CYS HB3 1 1 2 616 1 1 19 CYS N N -4.015 1.958 4.290 1.00 . A A . 19 CYS N 1 1 2 617 1 1 19 CYS O O -2.822 2.308 6.989 1.00 . A A . 19 CYS O 1 1 2 618 1 1 19 CYS SG S -5.336 -1.331 6.274 1.00 . A A . 19 CYS SG 1 1 2 619 1 1 20 HIS C C -0.154 0.819 7.247 1.00 . A A . 20 HIS C 1 1 2 620 1 1 20 HIS CA C -1.384 0.069 7.755 1.00 . A A . 20 HIS CA 1 1 2 621 1 1 20 HIS CB C -1.009 -1.377 8.085 1.00 . A A . 20 HIS CB 1 1 2 622 1 1 20 HIS CD2 C -2.424 -1.914 10.175 1.00 . A A . 20 HIS CD2 1 1 2 623 1 1 20 HIS CE1 C -3.615 -3.512 9.296 1.00 . A A . 20 HIS CE1 1 1 2 624 1 1 20 HIS CG C -2.051 -2.095 8.884 1.00 . A A . 20 HIS CG 1 1 2 625 1 1 20 HIS H H -2.755 -0.744 6.367 1.00 . A A . 20 HIS H 1 1 2 626 1 1 20 HIS HA H -1.733 0.550 8.655 1.00 . A A . 20 HIS HA 1 1 2 627 1 1 20 HIS HB2 H -0.862 -1.922 7.165 1.00 . A A . 20 HIS HB2 1 1 2 628 1 1 20 HIS HB3 H -0.090 -1.382 8.652 1.00 . A A . 20 HIS HB3 1 1 2 629 1 1 20 HIS HD2 H -2.017 -1.196 10.871 1.00 . A A . 20 HIS HD2 1 1 2 630 1 1 20 HIS HE1 H -4.342 -4.303 9.183 1.00 . A A . 20 HIS HE1 1 1 2 631 1 1 20 HIS HE2 H -3.775 -3.051 11.314 1.00 . A A . 20 HIS HE2 1 1 2 632 1 1 20 HIS N N -2.479 0.094 6.787 1.00 . A A . 20 HIS N 1 1 2 633 1 1 20 HIS ND1 N -2.805 -3.104 8.336 1.00 . A A . 20 HIS ND1 1 1 2 634 1 1 20 HIS NE2 N -3.420 -2.821 10.429 1.00 . A A . 20 HIS NE2 1 1 2 635 1 1 20 HIS O O 0.683 1.251 8.039 1.00 . A A . 20 HIS O 1 1 2 636 1 1 21 GLY C C 1.385 2.990 6.038 1.00 . A A . 21 GLY C 1 1 2 637 1 1 21 GLY CA C 1.101 1.663 5.358 1.00 . A A . 21 GLY CA 1 1 2 638 1 1 21 GLY H H -0.734 0.600 5.343 1.00 . A A . 21 GLY H 1 1 2 639 1 1 21 GLY HA2 H 1.972 1.032 5.451 1.00 . A A . 21 GLY HA2 1 1 2 640 1 1 21 GLY HA3 H 0.912 1.842 4.312 1.00 . A A . 21 GLY HA3 1 1 2 641 1 1 21 GLY N N -0.042 0.968 5.931 1.00 . A A . 21 GLY N 1 1 2 642 1 1 21 GLY O O 2.524 3.454 6.054 1.00 . A A . 21 GLY O 1 1 2 643 1 1 22 ARG C C 1.387 4.740 8.514 1.00 . A A . 22 ARG C 1 1 2 644 1 1 22 ARG CA C 0.494 4.879 7.285 1.00 . A A . 22 ARG CA 1 1 2 645 1 1 22 ARG CB C -0.875 5.422 7.696 1.00 . A A . 22 ARG CB 1 1 2 646 1 1 22 ARG CD C -0.556 7.581 8.941 1.00 . A A . 22 ARG CD 1 1 2 647 1 1 22 ARG CG C -0.974 6.937 7.630 1.00 . A A . 22 ARG CG 1 1 2 648 1 1 22 ARG CZ C -1.671 8.348 11.000 1.00 . A A . 22 ARG CZ 1 1 2 649 1 1 22 ARG H H -0.537 3.180 6.557 1.00 . A A . 22 ARG H 1 1 2 650 1 1 22 ARG HA H 0.954 5.572 6.598 1.00 . A A . 22 ARG HA 1 1 2 651 1 1 22 ARG HB2 H -1.627 5.004 7.042 1.00 . A A . 22 ARG HB2 1 1 2 652 1 1 22 ARG HB3 H -1.083 5.114 8.711 1.00 . A A . 22 ARG HB3 1 1 2 653 1 1 22 ARG HD2 H 0.294 7.045 9.336 1.00 . A A . 22 ARG HD2 1 1 2 654 1 1 22 ARG HD3 H -0.276 8.606 8.750 1.00 . A A . 22 ARG HD3 1 1 2 655 1 1 22 ARG HE H -2.363 6.922 9.788 1.00 . A A . 22 ARG HE 1 1 2 656 1 1 22 ARG HG2 H -0.328 7.295 6.842 1.00 . A A . 22 ARG HG2 1 1 2 657 1 1 22 ARG HG3 H -1.996 7.212 7.413 1.00 . A A . 22 ARG HG3 1 1 2 658 1 1 22 ARG HH11 H 0.070 9.293 10.590 1.00 . A A . 22 ARG HH11 1 1 2 659 1 1 22 ARG HH12 H -0.735 9.814 12.032 1.00 . A A . 22 ARG HH12 1 1 2 660 1 1 22 ARG HH21 H -3.423 7.605 11.684 1.00 . A A . 22 ARG HH21 1 1 2 661 1 1 22 ARG HH22 H -2.717 8.856 12.653 1.00 . A A . 22 ARG HH22 1 1 2 662 1 1 22 ARG N N 0.348 3.600 6.602 1.00 . A A . 22 ARG N 1 1 2 663 1 1 22 ARG NE N -1.631 7.559 9.929 1.00 . A A . 22 ARG NE 1 1 2 664 1 1 22 ARG NH1 N -0.699 9.223 11.226 1.00 . A A . 22 ARG NH1 1 1 2 665 1 1 22 ARG NH2 N -2.687 8.263 11.849 1.00 . A A . 22 ARG NH2 1 1 2 666 1 1 22 ARG O O 1.192 3.772 9.280 1.00 . A A . 22 ARG O 1 1 2 667 1 1 22 ARG OXT O 2.276 5.597 8.700 1.00 . A A . 22 ARG OXT 1 1 2 668 2 2 1 ZN ZN ZN -3.786 -3.092 6.516 1.00 . B A . 23 ZN ZN 1 1 3 669 1 1 1 LYS C C 8.820 -2.292 1.095 1.00 . A A . 1 LYS C 1 1 3 670 1 1 1 LYS CA C 9.766 -1.592 2.065 1.00 . A A . 1 LYS CA 1 1 3 671 1 1 1 LYS CB C 9.984 -0.140 1.634 1.00 . A A . 1 LYS CB 1 1 3 672 1 1 1 LYS CD C 9.267 1.900 2.922 1.00 . A A . 1 LYS CD 1 1 3 673 1 1 1 LYS CE C 8.949 2.196 4.379 1.00 . A A . 1 LYS CE 1 1 3 674 1 1 1 LYS CG C 10.305 0.796 2.790 1.00 . A A . 1 LYS CG 1 1 3 675 1 1 1 LYS H1 H 11.610 -2.013 1.257 1.00 . A A . 1 LYS H1 1 1 3 676 1 1 1 LYS H2 H 10.910 -3.299 2.153 1.00 . A A . 1 LYS H2 1 1 3 677 1 1 1 LYS H3 H 11.579 -1.946 2.970 1.00 . A A . 1 LYS H3 1 1 3 678 1 1 1 LYS HA H 9.332 -1.607 3.053 1.00 . A A . 1 LYS HA 1 1 3 679 1 1 1 LYS HB2 H 10.804 -0.104 0.933 1.00 . A A . 1 LYS HB2 1 1 3 680 1 1 1 LYS HB3 H 9.089 0.217 1.146 1.00 . A A . 1 LYS HB3 1 1 3 681 1 1 1 LYS HD2 H 9.650 2.798 2.458 1.00 . A A . 1 LYS HD2 1 1 3 682 1 1 1 LYS HD3 H 8.362 1.592 2.420 1.00 . A A . 1 LYS HD3 1 1 3 683 1 1 1 LYS HE2 H 8.830 1.260 4.905 1.00 . A A . 1 LYS HE2 1 1 3 684 1 1 1 LYS HE3 H 9.773 2.747 4.809 1.00 . A A . 1 LYS HE3 1 1 3 685 1 1 1 LYS HG2 H 10.325 0.226 3.707 1.00 . A A . 1 LYS HG2 1 1 3 686 1 1 1 LYS HG3 H 11.274 1.243 2.620 1.00 . A A . 1 LYS HG3 1 1 3 687 1 1 1 LYS HZ1 H 6.869 2.379 4.436 1.00 . A A . 1 LYS HZ1 1 1 3 688 1 1 1 LYS HZ2 H 7.657 3.727 3.786 1.00 . A A . 1 LYS HZ2 1 1 3 689 1 1 1 LYS HZ3 H 7.680 3.458 5.456 1.00 . A A . 1 LYS HZ3 1 1 3 690 1 1 1 LYS N N 11.085 -2.273 2.116 1.00 . A A . 1 LYS N 1 1 3 691 1 1 1 LYS NZ N 7.702 2.996 4.524 1.00 . A A . 1 LYS NZ 1 1 3 692 1 1 1 LYS O O 9.223 -3.199 0.366 1.00 . A A . 1 LYS O 1 1 3 693 1 1 2 VAL C C 5.970 -1.406 -0.726 1.00 . A A . 2 VAL C 1 1 3 694 1 1 2 VAL CA C 6.557 -2.452 0.212 1.00 . A A . 2 VAL CA 1 1 3 695 1 1 2 VAL CB C 5.406 -3.093 1.016 1.00 . A A . 2 VAL CB 1 1 3 696 1 1 2 VAL CG1 C 4.665 -2.038 1.828 1.00 . A A . 2 VAL CG1 1 1 3 697 1 1 2 VAL CG2 C 4.447 -3.826 0.087 1.00 . A A . 2 VAL CG2 1 1 3 698 1 1 2 VAL H H 7.301 -1.139 1.696 1.00 . A A . 2 VAL H 1 1 3 699 1 1 2 VAL HA H 7.034 -3.223 -0.374 1.00 . A A . 2 VAL HA 1 1 3 700 1 1 2 VAL HB H 5.830 -3.811 1.702 1.00 . A A . 2 VAL HB 1 1 3 701 1 1 2 VAL HG11 H 3.745 -2.457 2.207 1.00 . A A . 2 VAL HG11 1 1 3 702 1 1 2 VAL HG12 H 4.441 -1.188 1.198 1.00 . A A . 2 VAL HG12 1 1 3 703 1 1 2 VAL HG13 H 5.284 -1.719 2.654 1.00 . A A . 2 VAL HG13 1 1 3 704 1 1 2 VAL HG21 H 3.750 -3.119 -0.341 1.00 . A A . 2 VAL HG21 1 1 3 705 1 1 2 VAL HG22 H 3.905 -4.572 0.648 1.00 . A A . 2 VAL HG22 1 1 3 706 1 1 2 VAL HG23 H 5.006 -4.304 -0.703 1.00 . A A . 2 VAL HG23 1 1 3 707 1 1 2 VAL N N 7.562 -1.866 1.092 1.00 . A A . 2 VAL N 1 1 3 708 1 1 2 VAL O O 6.014 -0.209 -0.443 1.00 . A A . 2 VAL O 1 1 3 709 1 1 3 GLY C C 3.443 -0.476 -2.291 1.00 . A A . 3 GLY C 1 1 3 710 1 1 3 GLY CA C 4.792 -0.961 -2.779 1.00 . A A . 3 GLY CA 1 1 3 711 1 1 3 GLY H H 5.382 -2.834 -1.997 1.00 . A A . 3 GLY H 1 1 3 712 1 1 3 GLY HA2 H 5.442 -0.110 -2.922 1.00 . A A . 3 GLY HA2 1 1 3 713 1 1 3 GLY HA3 H 4.661 -1.469 -3.723 1.00 . A A . 3 GLY HA3 1 1 3 714 1 1 3 GLY N N 5.401 -1.868 -1.832 1.00 . A A . 3 GLY N 1 1 3 715 1 1 3 GLY O O 2.411 -1.021 -2.670 1.00 . A A . 3 GLY O 1 1 3 716 1 1 4 ARG C C 1.073 1.140 -1.832 1.00 . A A . 4 ARG C 1 1 3 717 1 1 4 ARG CA C 2.240 1.102 -0.841 1.00 . A A . 4 ARG CA 1 1 3 718 1 1 4 ARG CB C 2.487 2.510 -0.282 1.00 . A A . 4 ARG CB 1 1 3 719 1 1 4 ARG CD C 4.333 4.162 0.071 1.00 . A A . 4 ARG CD 1 1 3 720 1 1 4 ARG CG C 3.639 3.260 -0.932 1.00 . A A . 4 ARG CG 1 1 3 721 1 1 4 ARG CZ C 6.739 3.899 -0.393 1.00 . A A . 4 ARG CZ 1 1 3 722 1 1 4 ARG H H 4.327 0.901 -1.148 1.00 . A A . 4 ARG H 1 1 3 723 1 1 4 ARG HA H 1.962 0.463 -0.023 1.00 . A A . 4 ARG HA 1 1 3 724 1 1 4 ARG HB2 H 1.590 3.096 -0.415 1.00 . A A . 4 ARG HB2 1 1 3 725 1 1 4 ARG HB3 H 2.693 2.428 0.775 1.00 . A A . 4 ARG HB3 1 1 3 726 1 1 4 ARG HD2 H 3.701 5.015 0.266 1.00 . A A . 4 ARG HD2 1 1 3 727 1 1 4 ARG HD3 H 4.481 3.608 0.987 1.00 . A A . 4 ARG HD3 1 1 3 728 1 1 4 ARG HE H 5.673 5.542 -0.778 1.00 . A A . 4 ARG HE 1 1 3 729 1 1 4 ARG HG2 H 4.356 2.552 -1.314 1.00 . A A . 4 ARG HG2 1 1 3 730 1 1 4 ARG HG3 H 3.256 3.863 -1.740 1.00 . A A . 4 ARG HG3 1 1 3 731 1 1 4 ARG HH11 H 5.863 2.276 0.439 1.00 . A A . 4 ARG HH11 1 1 3 732 1 1 4 ARG HH12 H 7.555 2.116 0.102 1.00 . A A . 4 ARG HH12 1 1 3 733 1 1 4 ARG HH21 H 7.896 5.334 -1.222 1.00 . A A . 4 ARG HH21 1 1 3 734 1 1 4 ARG HH22 H 8.709 3.852 -0.841 1.00 . A A . 4 ARG HH22 1 1 3 735 1 1 4 ARG N N 3.462 0.537 -1.423 1.00 . A A . 4 ARG N 1 1 3 736 1 1 4 ARG NE N 5.628 4.632 -0.416 1.00 . A A . 4 ARG NE 1 1 3 737 1 1 4 ARG NH1 N 6.716 2.662 0.089 1.00 . A A . 4 ARG NH1 1 1 3 738 1 1 4 ARG NH2 N 7.874 4.402 -0.856 1.00 . A A . 4 ARG NH2 1 1 3 739 1 1 4 ARG O O -0.086 1.047 -1.432 1.00 . A A . 4 ARG O 1 1 3 740 1 1 5 ASN C C -0.349 -0.038 -4.322 1.00 . A A . 5 ASN C 1 1 3 741 1 1 5 ASN CA C 0.343 1.319 -4.149 1.00 . A A . 5 ASN CA 1 1 3 742 1 1 5 ASN CB C 0.944 1.767 -5.483 1.00 . A A . 5 ASN CB 1 1 3 743 1 1 5 ASN CG C -0.094 2.356 -6.417 1.00 . A A . 5 ASN CG 1 1 3 744 1 1 5 ASN H H 2.317 1.344 -3.384 1.00 . A A . 5 ASN H 1 1 3 745 1 1 5 ASN HA H -0.395 2.045 -3.840 1.00 . A A . 5 ASN HA 1 1 3 746 1 1 5 ASN HB2 H 1.700 2.516 -5.296 1.00 . A A . 5 ASN HB2 1 1 3 747 1 1 5 ASN HB3 H 1.398 0.916 -5.969 1.00 . A A . 5 ASN HB3 1 1 3 748 1 1 5 ASN HD21 H 0.855 4.103 -6.409 1.00 . A A . 5 ASN HD21 1 1 3 749 1 1 5 ASN HD22 H -0.578 4.032 -7.371 1.00 . A A . 5 ASN HD22 1 1 3 750 1 1 5 ASN N N 1.378 1.273 -3.119 1.00 . A A . 5 ASN N 1 1 3 751 1 1 5 ASN ND2 N 0.078 3.626 -6.768 1.00 . A A . 5 ASN ND2 1 1 3 752 1 1 5 ASN O O -1.259 -0.176 -5.139 1.00 . A A . 5 ASN O 1 1 3 753 1 1 5 ASN OD1 O -1.039 1.679 -6.820 1.00 . A A . 5 ASN OD1 1 1 3 754 1 1 6 ASP C C -1.371 -2.647 -2.409 1.00 . A A . 6 ASP C 1 1 3 755 1 1 6 ASP CA C -0.493 -2.372 -3.629 1.00 . A A . 6 ASP CA 1 1 3 756 1 1 6 ASP CB C 0.624 -3.419 -3.721 1.00 . A A . 6 ASP CB 1 1 3 757 1 1 6 ASP CG C 0.109 -4.844 -3.629 1.00 . A A . 6 ASP CG 1 1 3 758 1 1 6 ASP H H 0.812 -0.875 -2.923 1.00 . A A . 6 ASP H 1 1 3 759 1 1 6 ASP HA H -1.101 -2.424 -4.520 1.00 . A A . 6 ASP HA 1 1 3 760 1 1 6 ASP HB2 H 1.135 -3.306 -4.664 1.00 . A A . 6 ASP HB2 1 1 3 761 1 1 6 ASP HB3 H 1.325 -3.258 -2.916 1.00 . A A . 6 ASP HB3 1 1 3 762 1 1 6 ASP N N 0.085 -1.037 -3.555 1.00 . A A . 6 ASP N 1 1 3 763 1 1 6 ASP O O -1.069 -2.195 -1.305 1.00 . A A . 6 ASP O 1 1 3 764 1 1 6 ASP OD1 O -0.147 -5.312 -2.500 1.00 . A A . 6 ASP OD1 1 1 3 765 1 1 6 ASP OD2 O -0.038 -5.492 -4.687 1.00 . A A . 6 ASP OD2 1 1 3 766 1 1 7 PRO C C -2.658 -4.229 -0.258 1.00 . A A . 7 PRO C 1 1 3 767 1 1 7 PRO CA C -3.390 -3.737 -1.504 1.00 . A A . 7 PRO CA 1 1 3 768 1 1 7 PRO CB C -4.264 -4.858 -2.094 1.00 . A A . 7 PRO CB 1 1 3 769 1 1 7 PRO CD C -2.908 -3.985 -3.863 1.00 . A A . 7 PRO CD 1 1 3 770 1 1 7 PRO CG C -3.648 -5.209 -3.411 1.00 . A A . 7 PRO CG 1 1 3 771 1 1 7 PRO HA H -4.013 -2.895 -1.240 1.00 . A A . 7 PRO HA 1 1 3 772 1 1 7 PRO HB2 H -4.265 -5.706 -1.424 1.00 . A A . 7 PRO HB2 1 1 3 773 1 1 7 PRO HB3 H -5.274 -4.497 -2.219 1.00 . A A . 7 PRO HB3 1 1 3 774 1 1 7 PRO HD2 H -2.064 -4.254 -4.480 1.00 . A A . 7 PRO HD2 1 1 3 775 1 1 7 PRO HD3 H -3.569 -3.313 -4.390 1.00 . A A . 7 PRO HD3 1 1 3 776 1 1 7 PRO HG2 H -2.963 -6.035 -3.287 1.00 . A A . 7 PRO HG2 1 1 3 777 1 1 7 PRO HG3 H -4.420 -5.463 -4.122 1.00 . A A . 7 PRO HG3 1 1 3 778 1 1 7 PRO N N -2.470 -3.399 -2.591 1.00 . A A . 7 PRO N 1 1 3 779 1 1 7 PRO O O -1.903 -5.199 -0.313 1.00 . A A . 7 PRO O 1 1 3 780 1 1 8 CYS C C -2.167 -5.409 2.328 1.00 . A A . 8 CYS C 1 1 3 781 1 1 8 CYS CA C -2.257 -3.893 2.138 1.00 . A A . 8 CYS CA 1 1 3 782 1 1 8 CYS CB C -3.046 -3.273 3.294 1.00 . A A . 8 CYS CB 1 1 3 783 1 1 8 CYS H H -3.497 -2.778 0.832 1.00 . A A . 8 CYS H 1 1 3 784 1 1 8 CYS HA H -1.260 -3.479 2.136 1.00 . A A . 8 CYS HA 1 1 3 785 1 1 8 CYS HB2 H -3.411 -2.303 2.992 1.00 . A A . 8 CYS HB2 1 1 3 786 1 1 8 CYS HB3 H -3.886 -3.910 3.528 1.00 . A A . 8 CYS HB3 1 1 3 787 1 1 8 CYS N N -2.887 -3.545 0.864 1.00 . A A . 8 CYS N 1 1 3 788 1 1 8 CYS O O -3.135 -6.130 2.085 1.00 . A A . 8 CYS O 1 1 3 789 1 1 8 CYS SG S -2.088 -3.047 4.810 1.00 . A A . 8 CYS SG 1 1 3 790 1 1 9 PRO C C -1.672 -7.918 4.086 1.00 . A A . 9 PRO C 1 1 3 791 1 1 9 PRO CA C -0.787 -7.352 2.979 1.00 . A A . 9 PRO CA 1 1 3 792 1 1 9 PRO CB C 0.690 -7.447 3.376 1.00 . A A . 9 PRO CB 1 1 3 793 1 1 9 PRO CD C 0.212 -5.131 3.073 1.00 . A A . 9 PRO CD 1 1 3 794 1 1 9 PRO CG C 1.042 -6.089 3.876 1.00 . A A . 9 PRO CG 1 1 3 795 1 1 9 PRO HA H -0.952 -7.912 2.070 1.00 . A A . 9 PRO HA 1 1 3 796 1 1 9 PRO HB2 H 0.811 -8.195 4.147 1.00 . A A . 9 PRO HB2 1 1 3 797 1 1 9 PRO HB3 H 1.281 -7.713 2.513 1.00 . A A . 9 PRO HB3 1 1 3 798 1 1 9 PRO HD2 H -0.032 -4.258 3.660 1.00 . A A . 9 PRO HD2 1 1 3 799 1 1 9 PRO HD3 H 0.730 -4.847 2.169 1.00 . A A . 9 PRO HD3 1 1 3 800 1 1 9 PRO HG2 H 0.799 -6.009 4.926 1.00 . A A . 9 PRO HG2 1 1 3 801 1 1 9 PRO HG3 H 2.093 -5.900 3.718 1.00 . A A . 9 PRO HG3 1 1 3 802 1 1 9 PRO N N -0.997 -5.914 2.763 1.00 . A A . 9 PRO N 1 1 3 803 1 1 9 PRO O O -1.890 -9.128 4.156 1.00 . A A . 9 PRO O 1 1 3 804 1 1 10 CYS C C -4.236 -8.264 5.538 1.00 . A A . 10 CYS C 1 1 3 805 1 1 10 CYS CA C -3.037 -7.470 6.052 1.00 . A A . 10 CYS CA 1 1 3 806 1 1 10 CYS CB C -3.513 -6.259 6.860 1.00 . A A . 10 CYS CB 1 1 3 807 1 1 10 CYS H H -1.971 -6.092 4.847 1.00 . A A . 10 CYS H 1 1 3 808 1 1 10 CYS HA H -2.451 -8.110 6.695 1.00 . A A . 10 CYS HA 1 1 3 809 1 1 10 CYS HB2 H -3.987 -6.606 7.765 1.00 . A A . 10 CYS HB2 1 1 3 810 1 1 10 CYS HB3 H -2.658 -5.652 7.118 1.00 . A A . 10 CYS HB3 1 1 3 811 1 1 10 CYS N N -2.179 -7.043 4.950 1.00 . A A . 10 CYS N 1 1 3 812 1 1 10 CYS O O -4.760 -9.135 6.233 1.00 . A A . 10 CYS O 1 1 3 813 1 1 10 CYS SG S -4.697 -5.202 5.994 1.00 . A A . 10 CYS SG 1 1 3 814 1 1 11 GLY C C -7.115 -7.969 4.027 1.00 . A A . 11 GLY C 1 1 3 815 1 1 11 GLY CA C -5.794 -8.653 3.731 1.00 . A A . 11 GLY CA 1 1 3 816 1 1 11 GLY H H -4.205 -7.257 3.809 1.00 . A A . 11 GLY H 1 1 3 817 1 1 11 GLY HA2 H -5.659 -8.702 2.661 1.00 . A A . 11 GLY HA2 1 1 3 818 1 1 11 GLY HA3 H -5.828 -9.659 4.124 1.00 . A A . 11 GLY HA3 1 1 3 819 1 1 11 GLY N N -4.663 -7.959 4.317 1.00 . A A . 11 GLY N 1 1 3 820 1 1 11 GLY O O -8.148 -8.626 4.150 1.00 . A A . 11 GLY O 1 1 3 821 1 1 12 SER C C -8.978 -5.454 3.130 1.00 . A A . 12 SER C 1 1 3 822 1 1 12 SER CA C -8.284 -5.871 4.423 1.00 . A A . 12 SER CA 1 1 3 823 1 1 12 SER CB C -7.937 -4.634 5.252 1.00 . A A . 12 SER CB 1 1 3 824 1 1 12 SER H H -6.226 -6.178 4.031 1.00 . A A . 12 SER H 1 1 3 825 1 1 12 SER HA H -8.955 -6.498 4.992 1.00 . A A . 12 SER HA 1 1 3 826 1 1 12 SER HB2 H -8.827 -4.041 5.400 1.00 . A A . 12 SER HB2 1 1 3 827 1 1 12 SER HB3 H -7.547 -4.942 6.210 1.00 . A A . 12 SER HB3 1 1 3 828 1 1 12 SER HG H -7.369 -3.020 4.297 1.00 . A A . 12 SER HG 1 1 3 829 1 1 12 SER N N -7.081 -6.645 4.141 1.00 . A A . 12 SER N 1 1 3 830 1 1 12 SER O O -10.185 -5.637 2.974 1.00 . A A . 12 SER O 1 1 3 831 1 1 12 SER OG O -6.965 -3.837 4.598 1.00 . A A . 12 SER OG 1 1 3 832 1 1 13 GLY C C -8.173 -3.138 0.471 1.00 . A A . 13 GLY C 1 1 3 833 1 1 13 GLY CA C -8.762 -4.455 0.940 1.00 . A A . 13 GLY CA 1 1 3 834 1 1 13 GLY H H -7.251 -4.771 2.387 1.00 . A A . 13 GLY H 1 1 3 835 1 1 13 GLY HA2 H -8.568 -5.210 0.193 1.00 . A A . 13 GLY HA2 1 1 3 836 1 1 13 GLY HA3 H -9.831 -4.339 1.048 1.00 . A A . 13 GLY HA3 1 1 3 837 1 1 13 GLY N N -8.206 -4.891 2.206 1.00 . A A . 13 GLY N 1 1 3 838 1 1 13 GLY O O -8.111 -2.871 -0.729 1.00 . A A . 13 GLY O 1 1 3 839 1 1 14 LYS C C -5.643 -1.140 0.914 1.00 . A A . 14 LYS C 1 1 3 840 1 1 14 LYS CA C -7.152 -1.021 1.101 1.00 . A A . 14 LYS CA 1 1 3 841 1 1 14 LYS CB C -7.459 -0.012 2.210 1.00 . A A . 14 LYS CB 1 1 3 842 1 1 14 LYS CD C -9.223 1.286 3.444 1.00 . A A . 14 LYS CD 1 1 3 843 1 1 14 LYS CE C -9.409 0.852 4.889 1.00 . A A . 14 LYS CE 1 1 3 844 1 1 14 LYS CG C -8.940 0.100 2.537 1.00 . A A . 14 LYS CG 1 1 3 845 1 1 14 LYS H H -7.817 -2.587 2.359 1.00 . A A . 14 LYS H 1 1 3 846 1 1 14 LYS HA H -7.592 -0.674 0.178 1.00 . A A . 14 LYS HA 1 1 3 847 1 1 14 LYS HB2 H -6.935 -0.309 3.107 1.00 . A A . 14 LYS HB2 1 1 3 848 1 1 14 LYS HB3 H -7.106 0.962 1.903 1.00 . A A . 14 LYS HB3 1 1 3 849 1 1 14 LYS HD2 H -8.392 1.975 3.390 1.00 . A A . 14 LYS HD2 1 1 3 850 1 1 14 LYS HD3 H -10.123 1.779 3.105 1.00 . A A . 14 LYS HD3 1 1 3 851 1 1 14 LYS HE2 H -9.837 -0.138 4.901 1.00 . A A . 14 LYS HE2 1 1 3 852 1 1 14 LYS HE3 H -8.443 0.831 5.372 1.00 . A A . 14 LYS HE3 1 1 3 853 1 1 14 LYS HG2 H -9.494 0.222 1.618 1.00 . A A . 14 LYS HG2 1 1 3 854 1 1 14 LYS HG3 H -9.257 -0.806 3.034 1.00 . A A . 14 LYS HG3 1 1 3 855 1 1 14 LYS HZ1 H -10.287 1.551 6.651 1.00 . A A . 14 LYS HZ1 1 1 3 856 1 1 14 LYS HZ2 H -11.282 1.685 5.291 1.00 . A A . 14 LYS HZ2 1 1 3 857 1 1 14 LYS HZ3 H -9.995 2.761 5.504 1.00 . A A . 14 LYS HZ3 1 1 3 858 1 1 14 LYS N N -7.740 -2.316 1.421 1.00 . A A . 14 LYS N 1 1 3 859 1 1 14 LYS NZ N -10.306 1.777 5.635 1.00 . A A . 14 LYS NZ 1 1 3 860 1 1 14 LYS O O -5.010 -2.038 1.467 1.00 . A A . 14 LYS O 1 1 3 861 1 1 15 LYS C C -2.872 0.181 1.131 1.00 . A A . 15 LYS C 1 1 3 862 1 1 15 LYS CA C -3.639 -0.231 -0.121 1.00 . A A . 15 LYS CA 1 1 3 863 1 1 15 LYS CB C -3.302 0.712 -1.278 1.00 . A A . 15 LYS CB 1 1 3 864 1 1 15 LYS CD C -4.718 1.317 -3.270 1.00 . A A . 15 LYS CD 1 1 3 865 1 1 15 LYS CE C -6.197 0.977 -3.166 1.00 . A A . 15 LYS CE 1 1 3 866 1 1 15 LYS CG C -3.852 0.250 -2.619 1.00 . A A . 15 LYS CG 1 1 3 867 1 1 15 LYS H H -5.632 0.465 -0.278 1.00 . A A . 15 LYS H 1 1 3 868 1 1 15 LYS HA H -3.352 -1.236 -0.392 1.00 . A A . 15 LYS HA 1 1 3 869 1 1 15 LYS HB2 H -3.709 1.689 -1.062 1.00 . A A . 15 LYS HB2 1 1 3 870 1 1 15 LYS HB3 H -2.229 0.790 -1.363 1.00 . A A . 15 LYS HB3 1 1 3 871 1 1 15 LYS HD2 H -4.542 2.261 -2.777 1.00 . A A . 15 LYS HD2 1 1 3 872 1 1 15 LYS HD3 H -4.449 1.397 -4.313 1.00 . A A . 15 LYS HD3 1 1 3 873 1 1 15 LYS HE2 H -6.298 -0.077 -2.952 1.00 . A A . 15 LYS HE2 1 1 3 874 1 1 15 LYS HE3 H -6.629 1.551 -2.360 1.00 . A A . 15 LYS HE3 1 1 3 875 1 1 15 LYS HG2 H -3.026 0.021 -3.276 1.00 . A A . 15 LYS HG2 1 1 3 876 1 1 15 LYS HG3 H -4.447 -0.640 -2.464 1.00 . A A . 15 LYS HG3 1 1 3 877 1 1 15 LYS HZ1 H -7.384 2.218 -4.356 1.00 . A A . 15 LYS HZ1 1 1 3 878 1 1 15 LYS HZ2 H -7.658 0.566 -4.602 1.00 . A A . 15 LYS HZ2 1 1 3 879 1 1 15 LYS HZ3 H -6.267 1.293 -5.230 1.00 . A A . 15 LYS HZ3 1 1 3 880 1 1 15 LYS N N -5.075 -0.228 0.133 1.00 . A A . 15 LYS N 1 1 3 881 1 1 15 LYS NZ N -6.928 1.285 -4.426 1.00 . A A . 15 LYS NZ 1 1 3 882 1 1 15 LYS O O -3.440 0.764 2.052 1.00 . A A . 15 LYS O 1 1 3 883 1 1 16 TYR C C -0.944 1.647 2.757 1.00 . A A . 16 TYR C 1 1 3 884 1 1 16 TYR CA C -0.731 0.202 2.303 1.00 . A A . 16 TYR CA 1 1 3 885 1 1 16 TYR CB C 0.737 -0.014 1.939 1.00 . A A . 16 TYR CB 1 1 3 886 1 1 16 TYR CD1 C 1.055 -1.672 3.816 1.00 . A A . 16 TYR CD1 1 1 3 887 1 1 16 TYR CD2 C 2.848 -0.186 3.304 1.00 . A A . 16 TYR CD2 1 1 3 888 1 1 16 TYR CE1 C 1.809 -2.242 4.825 1.00 . A A . 16 TYR CE1 1 1 3 889 1 1 16 TYR CE2 C 3.609 -0.751 4.310 1.00 . A A . 16 TYR CE2 1 1 3 890 1 1 16 TYR CG C 1.561 -0.636 3.041 1.00 . A A . 16 TYR CG 1 1 3 891 1 1 16 TYR CZ C 3.084 -1.777 5.068 1.00 . A A . 16 TYR CZ 1 1 3 892 1 1 16 TYR H H -1.182 -0.600 0.396 1.00 . A A . 16 TYR H 1 1 3 893 1 1 16 TYR HA H -0.994 -0.459 3.114 1.00 . A A . 16 TYR HA 1 1 3 894 1 1 16 TYR HB2 H 0.792 -0.665 1.080 1.00 . A A . 16 TYR HB2 1 1 3 895 1 1 16 TYR HB3 H 1.182 0.938 1.690 1.00 . A A . 16 TYR HB3 1 1 3 896 1 1 16 TYR HD1 H 0.056 -2.033 3.622 1.00 . A A . 16 TYR HD1 1 1 3 897 1 1 16 TYR HD2 H 3.256 0.618 2.706 1.00 . A A . 16 TYR HD2 1 1 3 898 1 1 16 TYR HE1 H 1.399 -3.048 5.416 1.00 . A A . 16 TYR HE1 1 1 3 899 1 1 16 TYR HE2 H 4.608 -0.387 4.501 1.00 . A A . 16 TYR HE2 1 1 3 900 1 1 16 TYR HH H 4.526 -2.890 5.685 1.00 . A A . 16 TYR HH 1 1 3 901 1 1 16 TYR N N -1.579 -0.131 1.161 1.00 . A A . 16 TYR N 1 1 3 902 1 1 16 TYR O O -1.390 1.897 3.876 1.00 . A A . 16 TYR O 1 1 3 903 1 1 16 TYR OH O 3.838 -2.342 6.071 1.00 . A A . 16 TYR OH 1 1 3 904 1 1 17 LYS C C -2.162 4.330 2.716 1.00 . A A . 17 LYS C 1 1 3 905 1 1 17 LYS CA C -0.765 4.013 2.188 1.00 . A A . 17 LYS CA 1 1 3 906 1 1 17 LYS CB C -0.477 4.853 0.943 1.00 . A A . 17 LYS CB 1 1 3 907 1 1 17 LYS CD C -0.385 4.421 -1.536 1.00 . A A . 17 LYS CD 1 1 3 908 1 1 17 LYS CE C -0.866 5.459 -2.538 1.00 . A A . 17 LYS CE 1 1 3 909 1 1 17 LYS CG C -1.253 4.405 -0.286 1.00 . A A . 17 LYS CG 1 1 3 910 1 1 17 LYS H H -0.262 2.328 1.005 1.00 . A A . 17 LYS H 1 1 3 911 1 1 17 LYS HA H -0.042 4.261 2.951 1.00 . A A . 17 LYS HA 1 1 3 912 1 1 17 LYS HB2 H -0.734 5.882 1.149 1.00 . A A . 17 LYS HB2 1 1 3 913 1 1 17 LYS HB3 H 0.578 4.794 0.719 1.00 . A A . 17 LYS HB3 1 1 3 914 1 1 17 LYS HD2 H 0.632 4.652 -1.255 1.00 . A A . 17 LYS HD2 1 1 3 915 1 1 17 LYS HD3 H -0.419 3.445 -1.998 1.00 . A A . 17 LYS HD3 1 1 3 916 1 1 17 LYS HE2 H -1.795 5.118 -2.971 1.00 . A A . 17 LYS HE2 1 1 3 917 1 1 17 LYS HE3 H -1.033 6.392 -2.019 1.00 . A A . 17 LYS HE3 1 1 3 918 1 1 17 LYS HG2 H -1.612 3.400 -0.125 1.00 . A A . 17 LYS HG2 1 1 3 919 1 1 17 LYS HG3 H -2.091 5.070 -0.431 1.00 . A A . 17 LYS HG3 1 1 3 920 1 1 17 LYS HZ1 H 0.735 4.844 -3.731 1.00 . A A . 17 LYS HZ1 1 1 3 921 1 1 17 LYS HZ2 H 0.717 6.504 -3.410 1.00 . A A . 17 LYS HZ2 1 1 3 922 1 1 17 LYS HZ3 H -0.369 5.849 -4.529 1.00 . A A . 17 LYS HZ3 1 1 3 923 1 1 17 LYS N N -0.616 2.592 1.881 1.00 . A A . 17 LYS N 1 1 3 924 1 1 17 LYS NZ N 0.124 5.679 -3.628 1.00 . A A . 17 LYS NZ 1 1 3 925 1 1 17 LYS O O -2.353 5.303 3.444 1.00 . A A . 17 LYS O 1 1 3 926 1 1 18 GLN C C -4.791 2.976 4.085 1.00 . A A . 18 GLN C 1 1 3 927 1 1 18 GLN CA C -4.515 3.706 2.777 1.00 . A A . 18 GLN CA 1 1 3 928 1 1 18 GLN CB C -5.485 3.207 1.706 1.00 . A A . 18 GLN CB 1 1 3 929 1 1 18 GLN CD C -6.040 4.752 -0.214 1.00 . A A . 18 GLN CD 1 1 3 930 1 1 18 GLN CG C -5.127 3.655 0.298 1.00 . A A . 18 GLN CG 1 1 3 931 1 1 18 GLN H H -2.926 2.749 1.758 1.00 . A A . 18 GLN H 1 1 3 932 1 1 18 GLN HA H -4.669 4.764 2.926 1.00 . A A . 18 GLN HA 1 1 3 933 1 1 18 GLN HB2 H -5.496 2.124 1.727 1.00 . A A . 18 GLN HB2 1 1 3 934 1 1 18 GLN HB3 H -6.475 3.571 1.937 1.00 . A A . 18 GLN HB3 1 1 3 935 1 1 18 GLN HE21 H -6.801 3.518 -1.575 1.00 . A A . 18 GLN HE21 1 1 3 936 1 1 18 GLN HE22 H -7.442 5.122 -1.574 1.00 . A A . 18 GLN HE22 1 1 3 937 1 1 18 GLN HG2 H -4.112 4.024 0.297 1.00 . A A . 18 GLN HG2 1 1 3 938 1 1 18 GLN HG3 H -5.202 2.806 -0.366 1.00 . A A . 18 GLN HG3 1 1 3 939 1 1 18 GLN N N -3.136 3.506 2.343 1.00 . A A . 18 GLN N 1 1 3 940 1 1 18 GLN NE2 N -6.843 4.431 -1.223 1.00 . A A . 18 GLN NE2 1 1 3 941 1 1 18 GLN O O -5.582 3.435 4.911 1.00 . A A . 18 GLN O 1 1 3 942 1 1 18 GLN OE1 O -6.024 5.874 0.290 1.00 . A A . 18 GLN OE1 1 1 3 943 1 1 19 CYS C C -3.139 1.138 6.403 1.00 . A A . 19 CYS C 1 1 3 944 1 1 19 CYS CA C -4.340 1.018 5.453 1.00 . A A . 19 CYS CA 1 1 3 945 1 1 19 CYS CB C -4.596 -0.435 5.040 1.00 . A A . 19 CYS CB 1 1 3 946 1 1 19 CYS H H -3.545 1.508 3.556 1.00 . A A . 19 CYS H 1 1 3 947 1 1 19 CYS HA H -5.216 1.391 5.962 1.00 . A A . 19 CYS HA 1 1 3 948 1 1 19 CYS HB2 H -5.276 -0.442 4.200 1.00 . A A . 19 CYS HB2 1 1 3 949 1 1 19 CYS HB3 H -3.663 -0.887 4.739 1.00 . A A . 19 CYS HB3 1 1 3 950 1 1 19 CYS N N -4.151 1.827 4.257 1.00 . A A . 19 CYS N 1 1 3 951 1 1 19 CYS O O -2.828 2.234 6.869 1.00 . A A . 19 CYS O 1 1 3 952 1 1 19 CYS SG S -5.317 -1.462 6.342 1.00 . A A . 19 CYS SG 1 1 3 953 1 1 20 HIS C C -0.281 1.066 7.156 1.00 . A A . 20 HIS C 1 1 3 954 1 1 20 HIS CA C -1.318 0.037 7.599 1.00 . A A . 20 HIS CA 1 1 3 955 1 1 20 HIS CB C -0.677 -1.351 7.665 1.00 . A A . 20 HIS CB 1 1 3 956 1 1 20 HIS CD2 C -1.109 -2.608 9.878 1.00 . A A . 20 HIS CD2 1 1 3 957 1 1 20 HIS CE1 C -2.862 -3.723 9.223 1.00 . A A . 20 HIS CE1 1 1 3 958 1 1 20 HIS CG C -1.386 -2.294 8.589 1.00 . A A . 20 HIS CG 1 1 3 959 1 1 20 HIS H H -2.751 -0.830 6.310 1.00 . A A . 20 HIS H 1 1 3 960 1 1 20 HIS HA H -1.673 0.305 8.582 1.00 . A A . 20 HIS HA 1 1 3 961 1 1 20 HIS HB2 H -0.678 -1.788 6.680 1.00 . A A . 20 HIS HB2 1 1 3 962 1 1 20 HIS HB3 H 0.343 -1.252 8.009 1.00 . A A . 20 HIS HB3 1 1 3 963 1 1 20 HIS HD2 H -0.302 -2.218 10.479 1.00 . A A . 20 HIS HD2 1 1 3 964 1 1 20 HIS HE1 H -3.708 -4.394 9.227 1.00 . A A . 20 HIS HE1 1 1 3 965 1 1 20 HIS HE2 H -2.019 -4.065 11.088 1.00 . A A . 20 HIS HE2 1 1 3 966 1 1 20 HIS N N -2.468 0.021 6.698 1.00 . A A . 20 HIS N 1 1 3 967 1 1 20 HIS ND1 N -2.492 -3.000 8.182 1.00 . A A . 20 HIS ND1 1 1 3 968 1 1 20 HIS NE2 N -2.055 -3.519 10.275 1.00 . A A . 20 HIS NE2 1 1 3 969 1 1 20 HIS O O 0.230 1.835 7.970 1.00 . A A . 20 HIS O 1 1 3 970 1 1 21 GLY C C 0.681 3.451 5.704 1.00 . A A . 21 GLY C 1 1 3 971 1 1 21 GLY CA C 1.001 2.014 5.337 1.00 . A A . 21 GLY CA 1 1 3 972 1 1 21 GLY H H -0.413 0.438 5.260 1.00 . A A . 21 GLY H 1 1 3 973 1 1 21 GLY HA2 H 1.974 1.763 5.730 1.00 . A A . 21 GLY HA2 1 1 3 974 1 1 21 GLY HA3 H 1.025 1.927 4.260 1.00 . A A . 21 GLY HA3 1 1 3 975 1 1 21 GLY N N 0.025 1.074 5.863 1.00 . A A . 21 GLY N 1 1 3 976 1 1 21 GLY O O 1.564 4.206 6.111 1.00 . A A . 21 GLY O 1 1 3 977 1 1 22 ARG C C -0.292 6.209 5.019 1.00 . A A . 22 ARG C 1 1 3 978 1 1 22 ARG CA C -1.022 5.183 5.882 1.00 . A A . 22 ARG CA 1 1 3 979 1 1 22 ARG CB C -0.783 5.480 7.365 1.00 . A A . 22 ARG CB 1 1 3 980 1 1 22 ARG CD C -1.673 7.206 8.966 1.00 . A A . 22 ARG CD 1 1 3 981 1 1 22 ARG CG C -2.014 6.015 8.083 1.00 . A A . 22 ARG CG 1 1 3 982 1 1 22 ARG CZ C -3.631 7.370 10.453 1.00 . A A . 22 ARG CZ 1 1 3 983 1 1 22 ARG H H -1.244 3.180 5.234 1.00 . A A . 22 ARG H 1 1 3 984 1 1 22 ARG HA H -2.080 5.247 5.677 1.00 . A A . 22 ARG HA 1 1 3 985 1 1 22 ARG HB2 H -0.475 4.570 7.856 1.00 . A A . 22 ARG HB2 1 1 3 986 1 1 22 ARG HB3 H 0.006 6.212 7.454 1.00 . A A . 22 ARG HB3 1 1 3 987 1 1 22 ARG HD2 H -0.604 7.231 9.118 1.00 . A A . 22 ARG HD2 1 1 3 988 1 1 22 ARG HD3 H -1.985 8.110 8.464 1.00 . A A . 22 ARG HD3 1 1 3 989 1 1 22 ARG HE H -1.785 6.893 11.041 1.00 . A A . 22 ARG HE 1 1 3 990 1 1 22 ARG HG2 H -2.742 6.322 7.348 1.00 . A A . 22 ARG HG2 1 1 3 991 1 1 22 ARG HG3 H -2.429 5.230 8.697 1.00 . A A . 22 ARG HG3 1 1 3 992 1 1 22 ARG HH11 H -4.022 7.764 8.507 1.00 . A A . 22 ARG HH11 1 1 3 993 1 1 22 ARG HH12 H -5.381 7.873 9.573 1.00 . A A . 22 ARG HH12 1 1 3 994 1 1 22 ARG HH21 H -3.571 7.038 12.445 1.00 . A A . 22 ARG HH21 1 1 3 995 1 1 22 ARG HH22 H -5.126 7.461 11.809 1.00 . A A . 22 ARG HH22 1 1 3 996 1 1 22 ARG N N -0.585 3.828 5.561 1.00 . A A . 22 ARG N 1 1 3 997 1 1 22 ARG NE N -2.335 7.132 10.266 1.00 . A A . 22 ARG NE 1 1 3 998 1 1 22 ARG NH1 N -4.408 7.695 9.427 1.00 . A A . 22 ARG NH1 1 1 3 999 1 1 22 ARG NH2 N -4.153 7.282 11.668 1.00 . A A . 22 ARG NH2 1 1 3 1000 1 1 22 ARG O O -0.720 7.383 5.009 1.00 . A A . 22 ARG O 1 1 3 1001 1 1 22 ARG OXT O 0.700 5.832 4.362 1.00 . A A . 22 ARG OXT 1 1 3 1002 2 2 1 ZN ZN ZN -3.684 -3.147 6.540 1.00 . B A . 23 ZN ZN 1 1 4 1003 1 1 1 LYS C C 8.574 -2.810 0.591 1.00 . A A . 1 LYS C 1 1 4 1004 1 1 1 LYS CA C 9.656 -2.243 1.505 1.00 . A A . 1 LYS CA 1 1 4 1005 1 1 1 LYS CB C 10.499 -1.209 0.756 1.00 . A A . 1 LYS CB 1 1 4 1006 1 1 1 LYS CD C 9.492 1.066 0.381 1.00 . A A . 1 LYS CD 1 1 4 1007 1 1 1 LYS CE C 8.562 1.971 1.175 1.00 . A A . 1 LYS CE 1 1 4 1008 1 1 1 LYS CG C 10.348 0.205 1.297 1.00 . A A . 1 LYS CG 1 1 4 1009 1 1 1 LYS H1 H 10.037 -3.861 2.718 1.00 . A A . 1 LYS H1 1 1 4 1010 1 1 1 LYS H2 H 11.398 -2.861 2.411 1.00 . A A . 1 LYS H2 1 1 4 1011 1 1 1 LYS H3 H 10.812 -3.916 1.190 1.00 . A A . 1 LYS H3 1 1 4 1012 1 1 1 LYS HA H 9.186 -1.771 2.355 1.00 . A A . 1 LYS HA 1 1 4 1013 1 1 1 LYS HB2 H 11.539 -1.490 0.827 1.00 . A A . 1 LYS HB2 1 1 4 1014 1 1 1 LYS HB3 H 10.207 -1.207 -0.284 1.00 . A A . 1 LYS HB3 1 1 4 1015 1 1 1 LYS HD2 H 10.138 1.679 -0.229 1.00 . A A . 1 LYS HD2 1 1 4 1016 1 1 1 LYS HD3 H 8.900 0.423 -0.252 1.00 . A A . 1 LYS HD3 1 1 4 1017 1 1 1 LYS HE2 H 7.576 1.531 1.187 1.00 . A A . 1 LYS HE2 1 1 4 1018 1 1 1 LYS HE3 H 8.933 2.048 2.187 1.00 . A A . 1 LYS HE3 1 1 4 1019 1 1 1 LYS HG2 H 9.883 0.159 2.271 1.00 . A A . 1 LYS HG2 1 1 4 1020 1 1 1 LYS HG3 H 11.328 0.651 1.385 1.00 . A A . 1 LYS HG3 1 1 4 1021 1 1 1 LYS HZ1 H 7.753 3.357 -0.162 1.00 . A A . 1 LYS HZ1 1 1 4 1022 1 1 1 LYS HZ2 H 9.393 3.604 0.172 1.00 . A A . 1 LYS HZ2 1 1 4 1023 1 1 1 LYS HZ3 H 8.224 4.026 1.319 1.00 . A A . 1 LYS HZ3 1 1 4 1024 1 1 1 LYS N N 10.557 -3.317 2.000 1.00 . A A . 1 LYS N 1 1 4 1025 1 1 1 LYS NZ N 8.477 3.335 0.585 1.00 . A A . 1 LYS NZ 1 1 4 1026 1 1 1 LYS O O 8.872 -3.462 -0.409 1.00 . A A . 1 LYS O 1 1 4 1027 1 1 2 VAL C C 5.589 -1.923 -0.688 1.00 . A A . 2 VAL C 1 1 4 1028 1 1 2 VAL CA C 6.191 -3.041 0.154 1.00 . A A . 2 VAL CA 1 1 4 1029 1 1 2 VAL CB C 5.087 -3.632 1.054 1.00 . A A . 2 VAL CB 1 1 4 1030 1 1 2 VAL CG1 C 4.507 -2.562 1.969 1.00 . A A . 2 VAL CG1 1 1 4 1031 1 1 2 VAL CG2 C 3.992 -4.268 0.210 1.00 . A A . 2 VAL CG2 1 1 4 1032 1 1 2 VAL H H 7.145 -2.031 1.751 1.00 . A A . 2 VAL H 1 1 4 1033 1 1 2 VAL HA H 6.550 -3.821 -0.501 1.00 . A A . 2 VAL HA 1 1 4 1034 1 1 2 VAL HB H 5.527 -4.402 1.672 1.00 . A A . 2 VAL HB 1 1 4 1035 1 1 2 VAL HG11 H 4.076 -1.770 1.372 1.00 . A A . 2 VAL HG11 1 1 4 1036 1 1 2 VAL HG12 H 5.291 -2.157 2.591 1.00 . A A . 2 VAL HG12 1 1 4 1037 1 1 2 VAL HG13 H 3.742 -2.998 2.594 1.00 . A A . 2 VAL HG13 1 1 4 1038 1 1 2 VAL HG21 H 4.383 -4.504 -0.769 1.00 . A A . 2 VAL HG21 1 1 4 1039 1 1 2 VAL HG22 H 3.166 -3.577 0.110 1.00 . A A . 2 VAL HG22 1 1 4 1040 1 1 2 VAL HG23 H 3.647 -5.173 0.688 1.00 . A A . 2 VAL HG23 1 1 4 1041 1 1 2 VAL N N 7.318 -2.557 0.942 1.00 . A A . 2 VAL N 1 1 4 1042 1 1 2 VAL O O 5.578 -0.762 -0.279 1.00 . A A . 2 VAL O 1 1 4 1043 1 1 3 GLY C C 3.301 -0.602 -2.043 1.00 . A A . 3 GLY C 1 1 4 1044 1 1 3 GLY CA C 4.465 -1.291 -2.725 1.00 . A A . 3 GLY CA 1 1 4 1045 1 1 3 GLY H H 5.101 -3.221 -2.133 1.00 . A A . 3 GLY H 1 1 4 1046 1 1 3 GLY HA2 H 5.205 -0.552 -2.994 1.00 . A A . 3 GLY HA2 1 1 4 1047 1 1 3 GLY HA3 H 4.109 -1.777 -3.622 1.00 . A A . 3 GLY HA3 1 1 4 1048 1 1 3 GLY N N 5.075 -2.280 -1.862 1.00 . A A . 3 GLY N 1 1 4 1049 1 1 3 GLY O O 2.185 -1.115 -2.041 1.00 . A A . 3 GLY O 1 1 4 1050 1 1 4 ARG C C 1.257 1.439 -1.531 1.00 . A A . 4 ARG C 1 1 4 1051 1 1 4 ARG CA C 2.548 1.302 -0.724 1.00 . A A . 4 ARG CA 1 1 4 1052 1 1 4 ARG CB C 3.072 2.685 -0.353 1.00 . A A . 4 ARG CB 1 1 4 1053 1 1 4 ARG CD C 3.061 4.569 1.304 1.00 . A A . 4 ARG CD 1 1 4 1054 1 1 4 ARG CG C 2.432 3.246 0.902 1.00 . A A . 4 ARG CG 1 1 4 1055 1 1 4 ARG CZ C 2.425 6.515 2.675 1.00 . A A . 4 ARG CZ 1 1 4 1056 1 1 4 ARG H H 4.486 0.894 -1.457 1.00 . A A . 4 ARG H 1 1 4 1057 1 1 4 ARG HA H 2.331 0.764 0.182 1.00 . A A . 4 ARG HA 1 1 4 1058 1 1 4 ARG HB2 H 4.140 2.624 -0.193 1.00 . A A . 4 ARG HB2 1 1 4 1059 1 1 4 ARG HB3 H 2.875 3.365 -1.169 1.00 . A A . 4 ARG HB3 1 1 4 1060 1 1 4 ARG HD2 H 4.074 4.385 1.631 1.00 . A A . 4 ARG HD2 1 1 4 1061 1 1 4 ARG HD3 H 3.074 5.221 0.444 1.00 . A A . 4 ARG HD3 1 1 4 1062 1 1 4 ARG HE H 1.724 4.663 2.923 1.00 . A A . 4 ARG HE 1 1 4 1063 1 1 4 ARG HG2 H 1.379 3.399 0.717 1.00 . A A . 4 ARG HG2 1 1 4 1064 1 1 4 ARG HG3 H 2.559 2.534 1.706 1.00 . A A . 4 ARG HG3 1 1 4 1065 1 1 4 ARG HH11 H 3.765 6.921 1.216 1.00 . A A . 4 ARG HH11 1 1 4 1066 1 1 4 ARG HH12 H 3.300 8.273 2.193 1.00 . A A . 4 ARG HH12 1 1 4 1067 1 1 4 ARG HH21 H 1.112 6.440 4.210 1.00 . A A . 4 ARG HH21 1 1 4 1068 1 1 4 ARG HH22 H 1.795 8.000 3.893 1.00 . A A . 4 ARG HH22 1 1 4 1069 1 1 4 ARG N N 3.570 0.550 -1.439 1.00 . A A . 4 ARG N 1 1 4 1070 1 1 4 ARG NE N 2.325 5.220 2.385 1.00 . A A . 4 ARG NE 1 1 4 1071 1 1 4 ARG NH1 N 3.230 7.300 1.969 1.00 . A A . 4 ARG NH1 1 1 4 1072 1 1 4 ARG NH2 N 1.719 7.027 3.674 1.00 . A A . 4 ARG NH2 1 1 4 1073 1 1 4 ARG O O 0.174 1.573 -0.961 1.00 . A A . 4 ARG O 1 1 4 1074 1 1 5 ASN C C -0.471 0.204 -3.969 1.00 . A A . 5 ASN C 1 1 4 1075 1 1 5 ASN CA C 0.211 1.552 -3.723 1.00 . A A . 5 ASN CA 1 1 4 1076 1 1 5 ASN CB C 0.617 2.180 -5.057 1.00 . A A . 5 ASN CB 1 1 4 1077 1 1 5 ASN CG C -0.536 2.893 -5.735 1.00 . A A . 5 ASN CG 1 1 4 1078 1 1 5 ASN H H 2.262 1.316 -3.253 1.00 . A A . 5 ASN H 1 1 4 1079 1 1 5 ASN HA H -0.489 2.208 -3.229 1.00 . A A . 5 ASN HA 1 1 4 1080 1 1 5 ASN HB2 H 1.408 2.895 -4.886 1.00 . A A . 5 ASN HB2 1 1 4 1081 1 1 5 ASN HB3 H 0.976 1.404 -5.719 1.00 . A A . 5 ASN HB3 1 1 4 1082 1 1 5 ASN HD21 H 0.655 3.457 -7.224 1.00 . A A . 5 ASN HD21 1 1 4 1083 1 1 5 ASN HD22 H -0.990 3.971 -7.344 1.00 . A A . 5 ASN HD22 1 1 4 1084 1 1 5 ASN N N 1.375 1.418 -2.853 1.00 . A A . 5 ASN N 1 1 4 1085 1 1 5 ASN ND2 N -0.262 3.502 -6.884 1.00 . A A . 5 ASN ND2 1 1 4 1086 1 1 5 ASN O O -1.465 0.126 -4.691 1.00 . A A . 5 ASN O 1 1 4 1087 1 1 5 ASN OD1 O -1.660 2.896 -5.234 1.00 . A A . 5 ASN OD1 1 1 4 1088 1 1 6 ASP C C -1.330 -2.569 -2.311 1.00 . A A . 6 ASP C 1 1 4 1089 1 1 6 ASP CA C -0.486 -2.192 -3.526 1.00 . A A . 6 ASP CA 1 1 4 1090 1 1 6 ASP CB C 0.647 -3.207 -3.721 1.00 . A A . 6 ASP CB 1 1 4 1091 1 1 6 ASP CG C 0.159 -4.644 -3.718 1.00 . A A . 6 ASP CG 1 1 4 1092 1 1 6 ASP H H 0.859 -0.732 -2.806 1.00 . A A . 6 ASP H 1 1 4 1093 1 1 6 ASP HA H -1.115 -2.190 -4.403 1.00 . A A . 6 ASP HA 1 1 4 1094 1 1 6 ASP HB2 H 1.130 -3.016 -4.666 1.00 . A A . 6 ASP HB2 1 1 4 1095 1 1 6 ASP HB3 H 1.366 -3.089 -2.925 1.00 . A A . 6 ASP HB3 1 1 4 1096 1 1 6 ASP N N 0.069 -0.853 -3.369 1.00 . A A . 6 ASP N 1 1 4 1097 1 1 6 ASP O O -1.015 -2.188 -1.183 1.00 . A A . 6 ASP O 1 1 4 1098 1 1 6 ASP OD1 O -0.041 -5.201 -2.618 1.00 . A A . 6 ASP OD1 1 1 4 1099 1 1 6 ASP OD2 O -0.022 -5.212 -4.815 1.00 . A A . 6 ASP OD2 1 1 4 1100 1 1 7 PRO C C -2.548 -4.231 -0.210 1.00 . A A . 7 PRO C 1 1 4 1101 1 1 7 PRO CA C -3.311 -3.765 -1.447 1.00 . A A . 7 PRO CA 1 1 4 1102 1 1 7 PRO CB C -4.097 -4.934 -2.069 1.00 . A A . 7 PRO CB 1 1 4 1103 1 1 7 PRO CD C -2.875 -3.835 -3.820 1.00 . A A . 7 PRO CD 1 1 4 1104 1 1 7 PRO CG C -3.533 -5.129 -3.443 1.00 . A A . 7 PRO CG 1 1 4 1105 1 1 7 PRO HA H -3.997 -2.980 -1.166 1.00 . A A . 7 PRO HA 1 1 4 1106 1 1 7 PRO HB2 H -3.965 -5.819 -1.464 1.00 . A A . 7 PRO HB2 1 1 4 1107 1 1 7 PRO HB3 H -5.146 -4.678 -2.110 1.00 . A A . 7 PRO HB3 1 1 4 1108 1 1 7 PRO HD2 H -2.043 -4.008 -4.487 1.00 . A A . 7 PRO HD2 1 1 4 1109 1 1 7 PRO HD3 H -3.590 -3.161 -4.267 1.00 . A A . 7 PRO HD3 1 1 4 1110 1 1 7 PRO HG2 H -2.806 -5.928 -3.431 1.00 . A A . 7 PRO HG2 1 1 4 1111 1 1 7 PRO HG3 H -4.329 -5.359 -4.137 1.00 . A A . 7 PRO HG3 1 1 4 1112 1 1 7 PRO N N -2.419 -3.331 -2.523 1.00 . A A . 7 PRO N 1 1 4 1113 1 1 7 PRO O O -1.760 -5.175 -0.273 1.00 . A A . 7 PRO O 1 1 4 1114 1 1 8 CYS C C -1.972 -5.389 2.366 1.00 . A A . 8 CYS C 1 1 4 1115 1 1 8 CYS CA C -2.132 -3.877 2.182 1.00 . A A . 8 CYS CA 1 1 4 1116 1 1 8 CYS CB C -2.939 -3.297 3.345 1.00 . A A . 8 CYS CB 1 1 4 1117 1 1 8 CYS H H -3.423 -2.809 0.887 1.00 . A A . 8 CYS H 1 1 4 1118 1 1 8 CYS HA H -1.156 -3.419 2.173 1.00 . A A . 8 CYS HA 1 1 4 1119 1 1 8 CYS HB2 H -3.415 -2.384 3.024 1.00 . A A . 8 CYS HB2 1 1 4 1120 1 1 8 CYS HB3 H -3.698 -4.009 3.636 1.00 . A A . 8 CYS HB3 1 1 4 1121 1 1 8 CYS N N -2.788 -3.553 0.913 1.00 . A A . 8 CYS N 1 1 4 1122 1 1 8 CYS O O -2.903 -6.153 2.114 1.00 . A A . 8 CYS O 1 1 4 1123 1 1 8 CYS SG S -1.957 -2.911 4.813 1.00 . A A . 8 CYS SG 1 1 4 1124 1 1 9 PRO C C -1.433 -7.892 4.062 1.00 . A A . 9 PRO C 1 1 4 1125 1 1 9 PRO CA C -0.509 -7.266 3.023 1.00 . A A . 9 PRO CA 1 1 4 1126 1 1 9 PRO CB C 0.944 -7.291 3.516 1.00 . A A . 9 PRO CB 1 1 4 1127 1 1 9 PRO CD C 0.385 -5.003 3.134 1.00 . A A . 9 PRO CD 1 1 4 1128 1 1 9 PRO CG C 1.216 -5.906 3.996 1.00 . A A . 9 PRO CG 1 1 4 1129 1 1 9 PRO HA H -0.584 -7.822 2.099 1.00 . A A . 9 PRO HA 1 1 4 1130 1 1 9 PRO HB2 H 1.043 -8.011 4.314 1.00 . A A . 9 PRO HB2 1 1 4 1131 1 1 9 PRO HB3 H 1.599 -7.558 2.700 1.00 . A A . 9 PRO HB3 1 1 4 1132 1 1 9 PRO HD2 H 0.090 -4.123 3.684 1.00 . A A . 9 PRO HD2 1 1 4 1133 1 1 9 PRO HD3 H 0.925 -4.730 2.241 1.00 . A A . 9 PRO HD3 1 1 4 1134 1 1 9 PRO HG2 H 0.922 -5.813 5.032 1.00 . A A . 9 PRO HG2 1 1 4 1135 1 1 9 PRO HG3 H 2.264 -5.676 3.881 1.00 . A A . 9 PRO HG3 1 1 4 1136 1 1 9 PRO N N -0.783 -5.840 2.809 1.00 . A A . 9 PRO N 1 1 4 1137 1 1 9 PRO O O -1.624 -9.108 4.082 1.00 . A A . 9 PRO O 1 1 4 1138 1 1 10 CYS C C -4.082 -8.307 5.361 1.00 . A A . 10 CYS C 1 1 4 1139 1 1 10 CYS CA C -2.909 -7.542 5.967 1.00 . A A . 10 CYS CA 1 1 4 1140 1 1 10 CYS CB C -3.424 -6.373 6.812 1.00 . A A . 10 CYS CB 1 1 4 1141 1 1 10 CYS H H -1.817 -6.100 4.865 1.00 . A A . 10 CYS H 1 1 4 1142 1 1 10 CYS HA H -2.350 -8.213 6.602 1.00 . A A . 10 CYS HA 1 1 4 1143 1 1 10 CYS HB2 H -3.997 -6.764 7.639 1.00 . A A . 10 CYS HB2 1 1 4 1144 1 1 10 CYS HB3 H -2.580 -5.818 7.195 1.00 . A A . 10 CYS HB3 1 1 4 1145 1 1 10 CYS N N -2.006 -7.059 4.927 1.00 . A A . 10 CYS N 1 1 4 1146 1 1 10 CYS O O -4.529 -9.313 5.911 1.00 . A A . 10 CYS O 1 1 4 1147 1 1 10 CYS SG S -4.482 -5.216 5.912 1.00 . A A . 10 CYS SG 1 1 4 1148 1 1 11 GLY C C -7.023 -7.841 3.895 1.00 . A A . 11 GLY C 1 1 4 1149 1 1 11 GLY CA C -5.688 -8.480 3.562 1.00 . A A . 11 GLY CA 1 1 4 1150 1 1 11 GLY H H -4.177 -7.021 3.829 1.00 . A A . 11 GLY H 1 1 4 1151 1 1 11 GLY HA2 H -5.537 -8.431 2.494 1.00 . A A . 11 GLY HA2 1 1 4 1152 1 1 11 GLY HA3 H -5.713 -9.516 3.864 1.00 . A A . 11 GLY HA3 1 1 4 1153 1 1 11 GLY N N -4.575 -7.825 4.223 1.00 . A A . 11 GLY N 1 1 4 1154 1 1 11 GLY O O -8.043 -8.525 3.975 1.00 . A A . 11 GLY O 1 1 4 1155 1 1 12 SER C C -8.937 -5.312 3.150 1.00 . A A . 12 SER C 1 1 4 1156 1 1 12 SER CA C -8.236 -5.797 4.417 1.00 . A A . 12 SER CA 1 1 4 1157 1 1 12 SER CB C -7.916 -4.606 5.323 1.00 . A A . 12 SER CB 1 1 4 1158 1 1 12 SER H H -6.172 -6.036 4.012 1.00 . A A . 12 SER H 1 1 4 1159 1 1 12 SER HA H -8.895 -6.471 4.942 1.00 . A A . 12 SER HA 1 1 4 1160 1 1 12 SER HB2 H -6.890 -4.303 5.168 1.00 . A A . 12 SER HB2 1 1 4 1161 1 1 12 SER HB3 H -8.575 -3.784 5.082 1.00 . A A . 12 SER HB3 1 1 4 1162 1 1 12 SER HG H -9.022 -5.082 6.868 1.00 . A A . 12 SER HG 1 1 4 1163 1 1 12 SER N N -7.016 -6.526 4.090 1.00 . A A . 12 SER N 1 1 4 1164 1 1 12 SER O O -10.160 -5.179 3.118 1.00 . A A . 12 SER O 1 1 4 1165 1 1 12 SER OG O -8.089 -4.944 6.688 1.00 . A A . 12 SER OG 1 1 4 1166 1 1 13 GLY C C -8.145 -3.241 0.434 1.00 . A A . 13 GLY C 1 1 4 1167 1 1 13 GLY CA C -8.713 -4.582 0.856 1.00 . A A . 13 GLY CA 1 1 4 1168 1 1 13 GLY H H -7.184 -5.173 2.194 1.00 . A A . 13 GLY H 1 1 4 1169 1 1 13 GLY HA2 H -8.502 -5.309 0.086 1.00 . A A . 13 GLY HA2 1 1 4 1170 1 1 13 GLY HA3 H -9.784 -4.487 0.964 1.00 . A A . 13 GLY HA3 1 1 4 1171 1 1 13 GLY N N -8.153 -5.050 2.110 1.00 . A A . 13 GLY N 1 1 4 1172 1 1 13 GLY O O -8.079 -2.932 -0.756 1.00 . A A . 13 GLY O 1 1 4 1173 1 1 14 LYS C C -5.657 -1.221 0.936 1.00 . A A . 14 LYS C 1 1 4 1174 1 1 14 LYS CA C -7.164 -1.127 1.143 1.00 . A A . 14 LYS CA 1 1 4 1175 1 1 14 LYS CB C -7.472 -0.171 2.297 1.00 . A A . 14 LYS CB 1 1 4 1176 1 1 14 LYS CD C -9.652 -0.541 3.497 1.00 . A A . 14 LYS CD 1 1 4 1177 1 1 14 LYS CE C -10.554 -1.628 2.934 1.00 . A A . 14 LYS CE 1 1 4 1178 1 1 14 LYS CG C -8.939 0.220 2.390 1.00 . A A . 14 LYS CG 1 1 4 1179 1 1 14 LYS H H -7.811 -2.747 2.342 1.00 . A A . 14 LYS H 1 1 4 1180 1 1 14 LYS HA H -7.619 -0.748 0.240 1.00 . A A . 14 LYS HA 1 1 4 1181 1 1 14 LYS HB2 H -7.186 -0.643 3.226 1.00 . A A . 14 LYS HB2 1 1 4 1182 1 1 14 LYS HB3 H -6.889 0.728 2.168 1.00 . A A . 14 LYS HB3 1 1 4 1183 1 1 14 LYS HD2 H -8.916 -0.997 4.141 1.00 . A A . 14 LYS HD2 1 1 4 1184 1 1 14 LYS HD3 H -10.253 0.152 4.067 1.00 . A A . 14 LYS HD3 1 1 4 1185 1 1 14 LYS HE2 H -10.195 -1.905 1.954 1.00 . A A . 14 LYS HE2 1 1 4 1186 1 1 14 LYS HE3 H -10.514 -2.486 3.589 1.00 . A A . 14 LYS HE3 1 1 4 1187 1 1 14 LYS HG2 H -9.006 1.278 2.595 1.00 . A A . 14 LYS HG2 1 1 4 1188 1 1 14 LYS HG3 H -9.419 0.003 1.447 1.00 . A A . 14 LYS HG3 1 1 4 1189 1 1 14 LYS HZ1 H -12.153 -0.818 1.859 1.00 . A A . 14 LYS HZ1 1 1 4 1190 1 1 14 LYS HZ2 H -12.153 -0.408 3.500 1.00 . A A . 14 LYS HZ2 1 1 4 1191 1 1 14 LYS HZ3 H -12.615 -1.962 3.017 1.00 . A A . 14 LYS HZ3 1 1 4 1192 1 1 14 LYS N N -7.732 -2.443 1.414 1.00 . A A . 14 LYS N 1 1 4 1193 1 1 14 LYS NZ N -11.968 -1.172 2.820 1.00 . A A . 14 LYS NZ 1 1 4 1194 1 1 14 LYS O O -4.999 -2.101 1.489 1.00 . A A . 14 LYS O 1 1 4 1195 1 1 15 LYS C C -2.908 0.159 1.107 1.00 . A A . 15 LYS C 1 1 4 1196 1 1 15 LYS CA C -3.679 -0.288 -0.129 1.00 . A A . 15 LYS CA 1 1 4 1197 1 1 15 LYS CB C -3.363 0.636 -1.308 1.00 . A A . 15 LYS CB 1 1 4 1198 1 1 15 LYS CD C -5.173 -0.135 -2.872 1.00 . A A . 15 LYS CD 1 1 4 1199 1 1 15 LYS CE C -5.891 1.205 -2.808 1.00 . A A . 15 LYS CE 1 1 4 1200 1 1 15 LYS CG C -3.676 0.022 -2.662 1.00 . A A . 15 LYS CG 1 1 4 1201 1 1 15 LYS H H -5.685 0.376 -0.270 1.00 . A A . 15 LYS H 1 1 4 1202 1 1 15 LYS HA H -3.378 -1.293 -0.380 1.00 . A A . 15 LYS HA 1 1 4 1203 1 1 15 LYS HB2 H -3.941 1.543 -1.205 1.00 . A A . 15 LYS HB2 1 1 4 1204 1 1 15 LYS HB3 H -2.310 0.885 -1.284 1.00 . A A . 15 LYS HB3 1 1 4 1205 1 1 15 LYS HD2 H -5.346 -0.578 -3.842 1.00 . A A . 15 LYS HD2 1 1 4 1206 1 1 15 LYS HD3 H -5.568 -0.783 -2.103 1.00 . A A . 15 LYS HD3 1 1 4 1207 1 1 15 LYS HE2 H -6.446 1.257 -1.884 1.00 . A A . 15 LYS HE2 1 1 4 1208 1 1 15 LYS HE3 H -5.154 1.995 -2.831 1.00 . A A . 15 LYS HE3 1 1 4 1209 1 1 15 LYS HG2 H -3.279 0.661 -3.436 1.00 . A A . 15 LYS HG2 1 1 4 1210 1 1 15 LYS HG3 H -3.208 -0.950 -2.721 1.00 . A A . 15 LYS HG3 1 1 4 1211 1 1 15 LYS HZ1 H -6.542 0.787 -4.748 1.00 . A A . 15 LYS HZ1 1 1 4 1212 1 1 15 LYS HZ2 H -6.833 2.379 -4.257 1.00 . A A . 15 LYS HZ2 1 1 4 1213 1 1 15 LYS HZ3 H -7.795 1.121 -3.662 1.00 . A A . 15 LYS HZ3 1 1 4 1214 1 1 15 LYS N N -5.112 -0.304 0.140 1.00 . A A . 15 LYS N 1 1 4 1215 1 1 15 LYS NZ N -6.831 1.386 -3.949 1.00 . A A . 15 LYS NZ 1 1 4 1216 1 1 15 LYS O O -3.489 0.677 2.059 1.00 . A A . 15 LYS O 1 1 4 1217 1 1 16 TYR C C -1.017 1.762 2.665 1.00 . A A . 16 TYR C 1 1 4 1218 1 1 16 TYR CA C -0.740 0.330 2.207 1.00 . A A . 16 TYR CA 1 1 4 1219 1 1 16 TYR CB C 0.728 0.186 1.806 1.00 . A A . 16 TYR CB 1 1 4 1220 1 1 16 TYR CD1 C 1.136 -1.432 3.710 1.00 . A A . 16 TYR CD1 1 1 4 1221 1 1 16 TYR CD2 C 2.921 0.000 3.037 1.00 . A A . 16 TYR CD2 1 1 4 1222 1 1 16 TYR CE1 C 1.943 -1.988 4.684 1.00 . A A . 16 TYR CE1 1 1 4 1223 1 1 16 TYR CE2 C 3.735 -0.552 4.008 1.00 . A A . 16 TYR CE2 1 1 4 1224 1 1 16 TYR CG C 1.610 -0.429 2.871 1.00 . A A . 16 TYR CG 1 1 4 1225 1 1 16 TYR CZ C 3.241 -1.544 4.829 1.00 . A A . 16 TYR CZ 1 1 4 1226 1 1 16 TYR H H -1.190 -0.468 0.300 1.00 . A A . 16 TYR H 1 1 4 1227 1 1 16 TYR HA H -0.950 -0.342 3.024 1.00 . A A . 16 TYR HA 1 1 4 1228 1 1 16 TYR HB2 H 0.792 -0.439 0.928 1.00 . A A . 16 TYR HB2 1 1 4 1229 1 1 16 TYR HB3 H 1.124 1.164 1.574 1.00 . A A . 16 TYR HB3 1 1 4 1230 1 1 16 TYR HD1 H 0.120 -1.778 3.592 1.00 . A A . 16 TYR HD1 1 1 4 1231 1 1 16 TYR HD2 H 3.307 0.776 2.388 1.00 . A A . 16 TYR HD2 1 1 4 1232 1 1 16 TYR HE1 H 1.555 -2.765 5.324 1.00 . A A . 16 TYR HE1 1 1 4 1233 1 1 16 TYR HE2 H 4.751 -0.205 4.123 1.00 . A A . 16 TYR HE2 1 1 4 1234 1 1 16 TYR HH H 3.967 -3.052 5.775 1.00 . A A . 16 TYR HH 1 1 4 1235 1 1 16 TYR N N -1.596 -0.047 1.087 1.00 . A A . 16 TYR N 1 1 4 1236 1 1 16 TYR O O -1.464 1.989 3.790 1.00 . A A . 16 TYR O 1 1 4 1237 1 1 16 TYR OH O 4.048 -2.096 5.798 1.00 . A A . 16 TYR OH 1 1 4 1238 1 1 17 LYS C C -2.371 4.387 2.611 1.00 . A A . 17 LYS C 1 1 4 1239 1 1 17 LYS CA C -0.953 4.137 2.102 1.00 . A A . 17 LYS CA 1 1 4 1240 1 1 17 LYS CB C -0.686 5.001 0.868 1.00 . A A . 17 LYS CB 1 1 4 1241 1 1 17 LYS CD C -2.046 5.458 -1.203 1.00 . A A . 17 LYS CD 1 1 4 1242 1 1 17 LYS CE C -1.274 5.941 -2.421 1.00 . A A . 17 LYS CE 1 1 4 1243 1 1 17 LYS CG C -1.257 4.420 -0.418 1.00 . A A . 17 LYS CG 1 1 4 1244 1 1 17 LYS H H -0.381 2.480 0.910 1.00 . A A . 17 LYS H 1 1 4 1245 1 1 17 LYS HA H -0.254 4.410 2.878 1.00 . A A . 17 LYS HA 1 1 4 1246 1 1 17 LYS HB2 H -1.124 5.975 1.025 1.00 . A A . 17 LYS HB2 1 1 4 1247 1 1 17 LYS HB3 H 0.381 5.112 0.744 1.00 . A A . 17 LYS HB3 1 1 4 1248 1 1 17 LYS HD2 H -2.975 5.018 -1.531 1.00 . A A . 17 LYS HD2 1 1 4 1249 1 1 17 LYS HD3 H -2.253 6.302 -0.560 1.00 . A A . 17 LYS HD3 1 1 4 1250 1 1 17 LYS HE2 H -0.461 6.571 -2.089 1.00 . A A . 17 LYS HE2 1 1 4 1251 1 1 17 LYS HE3 H -0.875 5.083 -2.941 1.00 . A A . 17 LYS HE3 1 1 4 1252 1 1 17 LYS HG2 H -0.444 4.062 -1.031 1.00 . A A . 17 LYS HG2 1 1 4 1253 1 1 17 LYS HG3 H -1.912 3.597 -0.169 1.00 . A A . 17 LYS HG3 1 1 4 1254 1 1 17 LYS HZ1 H -2.886 7.208 -2.824 1.00 . A A . 17 LYS HZ1 1 1 4 1255 1 1 17 LYS HZ2 H -2.579 6.079 -4.045 1.00 . A A . 17 LYS HZ2 1 1 4 1256 1 1 17 LYS HZ3 H -1.568 7.422 -3.864 1.00 . A A . 17 LYS HZ3 1 1 4 1257 1 1 17 LYS N N -0.740 2.724 1.789 1.00 . A A . 17 LYS N 1 1 4 1258 1 1 17 LYS NZ N -2.137 6.717 -3.354 1.00 . A A . 17 LYS NZ 1 1 4 1259 1 1 17 LYS O O -2.619 5.351 3.336 1.00 . A A . 17 LYS O 1 1 4 1260 1 1 18 GLN C C -4.953 2.910 3.943 1.00 . A A . 18 GLN C 1 1 4 1261 1 1 18 GLN CA C -4.691 3.651 2.636 1.00 . A A . 18 GLN CA 1 1 4 1262 1 1 18 GLN CB C -5.616 3.100 1.552 1.00 . A A . 18 GLN CB 1 1 4 1263 1 1 18 GLN CD C -6.211 4.705 -0.306 1.00 . A A . 18 GLN CD 1 1 4 1264 1 1 18 GLN CG C -5.284 3.597 0.154 1.00 . A A . 18 GLN CG 1 1 4 1265 1 1 18 GLN H H -3.043 2.774 1.642 1.00 . A A . 18 GLN H 1 1 4 1266 1 1 18 GLN HA H -4.901 4.700 2.778 1.00 . A A . 18 GLN HA 1 1 4 1267 1 1 18 GLN HB2 H -5.547 2.020 1.554 1.00 . A A . 18 GLN HB2 1 1 4 1268 1 1 18 GLN HB3 H -6.632 3.386 1.781 1.00 . A A . 18 GLN HB3 1 1 4 1269 1 1 18 GLN HE21 H -7.296 3.400 -1.342 1.00 . A A . 18 GLN HE21 1 1 4 1270 1 1 18 GLN HE22 H -7.828 5.043 -1.412 1.00 . A A . 18 GLN HE22 1 1 4 1271 1 1 18 GLN HG2 H -4.271 3.972 0.149 1.00 . A A . 18 GLN HG2 1 1 4 1272 1 1 18 GLN HG3 H -5.364 2.771 -0.537 1.00 . A A . 18 GLN HG3 1 1 4 1273 1 1 18 GLN N N -3.299 3.519 2.223 1.00 . A A . 18 GLN N 1 1 4 1274 1 1 18 GLN NE2 N -7.213 4.346 -1.101 1.00 . A A . 18 GLN NE2 1 1 4 1275 1 1 18 GLN O O -5.865 3.257 4.692 1.00 . A A . 18 GLN O 1 1 4 1276 1 1 18 GLN OE1 O -6.030 5.870 0.050 1.00 . A A . 18 GLN OE1 1 1 4 1277 1 1 19 CYS C C -3.113 1.231 6.341 1.00 . A A . 19 CYS C 1 1 4 1278 1 1 19 CYS CA C -4.320 1.075 5.402 1.00 . A A . 19 CYS CA 1 1 4 1279 1 1 19 CYS CB C -4.546 -0.386 5.004 1.00 . A A . 19 CYS CB 1 1 4 1280 1 1 19 CYS H H -3.459 1.641 3.556 1.00 . A A . 19 CYS H 1 1 4 1281 1 1 19 CYS HA H -5.199 1.433 5.916 1.00 . A A . 19 CYS HA 1 1 4 1282 1 1 19 CYS HB2 H -5.232 -0.415 4.168 1.00 . A A . 19 CYS HB2 1 1 4 1283 1 1 19 CYS HB3 H -3.605 -0.821 4.701 1.00 . A A . 19 CYS HB3 1 1 4 1284 1 1 19 CYS N N -4.160 1.878 4.199 1.00 . A A . 19 CYS N 1 1 4 1285 1 1 19 CYS O O -2.824 2.338 6.795 1.00 . A A . 19 CYS O 1 1 4 1286 1 1 19 CYS SG S -5.238 -1.416 6.319 1.00 . A A . 19 CYS SG 1 1 4 1287 1 1 20 HIS C C -0.188 1.128 6.991 1.00 . A A . 20 HIS C 1 1 4 1288 1 1 20 HIS CA C -1.259 0.186 7.532 1.00 . A A . 20 HIS CA 1 1 4 1289 1 1 20 HIS CB C -0.673 -1.212 7.727 1.00 . A A . 20 HIS CB 1 1 4 1290 1 1 20 HIS CD2 C -1.415 -2.198 9.994 1.00 . A A . 20 HIS CD2 1 1 4 1291 1 1 20 HIS CE1 C -2.965 -3.521 9.225 1.00 . A A . 20 HIS CE1 1 1 4 1292 1 1 20 HIS CG C -1.480 -2.077 8.646 1.00 . A A . 20 HIS CG 1 1 4 1293 1 1 20 HIS H H -2.680 -0.728 6.263 1.00 . A A . 20 HIS H 1 1 4 1294 1 1 20 HIS HA H -1.598 0.560 8.487 1.00 . A A . 20 HIS HA 1 1 4 1295 1 1 20 HIS HB2 H -0.615 -1.708 6.771 1.00 . A A . 20 HIS HB2 1 1 4 1296 1 1 20 HIS HB3 H 0.321 -1.123 8.142 1.00 . A A . 20 HIS HB3 1 1 4 1297 1 1 20 HIS HD2 H -0.746 -1.672 10.660 1.00 . A A . 20 HIS HD2 1 1 4 1298 1 1 20 HIS HE1 H -3.762 -4.249 9.185 1.00 . A A . 20 HIS HE1 1 1 4 1299 1 1 20 HIS HE2 H -2.677 -3.294 11.268 1.00 . A A . 20 HIS HE2 1 1 4 1300 1 1 20 HIS N N -2.414 0.133 6.641 1.00 . A A . 20 HIS N 1 1 4 1301 1 1 20 HIS ND1 N -2.459 -2.913 8.167 1.00 . A A . 20 HIS ND1 1 1 4 1302 1 1 20 HIS NE2 N -2.364 -3.120 10.356 1.00 . A A . 20 HIS NE2 1 1 4 1303 1 1 20 HIS O O 0.393 1.915 7.738 1.00 . A A . 20 HIS O 1 1 4 1304 1 1 21 GLY C C 0.840 3.367 5.345 1.00 . A A . 21 GLY C 1 1 4 1305 1 1 21 GLY CA C 1.075 1.892 5.074 1.00 . A A . 21 GLY CA 1 1 4 1306 1 1 21 GLY H H -0.423 0.395 5.144 1.00 . A A . 21 GLY H 1 1 4 1307 1 1 21 GLY HA2 H 2.046 1.619 5.461 1.00 . A A . 21 GLY HA2 1 1 4 1308 1 1 21 GLY HA3 H 1.065 1.727 4.007 1.00 . A A . 21 GLY HA3 1 1 4 1309 1 1 21 GLY N N 0.071 1.042 5.691 1.00 . A A . 21 GLY N 1 1 4 1310 1 1 21 GLY O O 1.770 4.171 5.284 1.00 . A A . 21 GLY O 1 1 4 1311 1 1 22 ARG C C 0.070 5.662 7.081 1.00 . A A . 22 ARG C 1 1 4 1312 1 1 22 ARG CA C -0.758 5.111 5.924 1.00 . A A . 22 ARG CA 1 1 4 1313 1 1 22 ARG CB C -2.249 5.222 6.250 1.00 . A A . 22 ARG CB 1 1 4 1314 1 1 22 ARG CD C -3.799 6.818 7.423 1.00 . A A . 22 ARG CD 1 1 4 1315 1 1 22 ARG CG C -2.746 6.656 6.337 1.00 . A A . 22 ARG CG 1 1 4 1316 1 1 22 ARG CZ C -4.055 8.115 9.502 1.00 . A A . 22 ARG CZ 1 1 4 1317 1 1 22 ARG H H -1.105 3.038 5.677 1.00 . A A . 22 ARG H 1 1 4 1318 1 1 22 ARG HA H -0.549 5.692 5.038 1.00 . A A . 22 ARG HA 1 1 4 1319 1 1 22 ARG HB2 H -2.812 4.714 5.482 1.00 . A A . 22 ARG HB2 1 1 4 1320 1 1 22 ARG HB3 H -2.434 4.741 7.199 1.00 . A A . 22 ARG HB3 1 1 4 1321 1 1 22 ARG HD2 H -4.761 6.969 6.954 1.00 . A A . 22 ARG HD2 1 1 4 1322 1 1 22 ARG HD3 H -3.828 5.916 8.018 1.00 . A A . 22 ARG HD3 1 1 4 1323 1 1 22 ARG HE H -2.889 8.632 7.967 1.00 . A A . 22 ARG HE 1 1 4 1324 1 1 22 ARG HG2 H -1.911 7.303 6.561 1.00 . A A . 22 ARG HG2 1 1 4 1325 1 1 22 ARG HG3 H -3.175 6.935 5.387 1.00 . A A . 22 ARG HG3 1 1 4 1326 1 1 22 ARG HH11 H -5.146 6.414 9.437 1.00 . A A . 22 ARG HH11 1 1 4 1327 1 1 22 ARG HH12 H -5.309 7.343 10.889 1.00 . A A . 22 ARG HH12 1 1 4 1328 1 1 22 ARG HH21 H -3.100 9.856 9.876 1.00 . A A . 22 ARG HH21 1 1 4 1329 1 1 22 ARG HH22 H -4.146 9.299 11.138 1.00 . A A . 22 ARG HH22 1 1 4 1330 1 1 22 ARG N N -0.405 3.724 5.644 1.00 . A A . 22 ARG N 1 1 4 1331 1 1 22 ARG NE N -3.515 7.953 8.296 1.00 . A A . 22 ARG NE 1 1 4 1332 1 1 22 ARG NH1 N -4.907 7.217 9.981 1.00 . A A . 22 ARG NH1 1 1 4 1333 1 1 22 ARG NH2 N -3.742 9.177 10.232 1.00 . A A . 22 ARG NH2 1 1 4 1334 1 1 22 ARG O O 0.517 6.824 6.987 1.00 . A A . 22 ARG O 1 1 4 1335 1 1 22 ARG OXT O 0.263 4.926 8.072 1.00 . A A . 22 ARG OXT 1 1 4 1336 2 2 1 ZN ZN ZN -3.606 -3.105 6.486 1.00 . B A . 23 ZN ZN 1 1 5 1337 1 1 1 LYS C C 8.506 -3.223 0.614 1.00 . A A . 1 LYS C 1 1 5 1338 1 1 1 LYS CA C 9.615 -2.700 1.520 1.00 . A A . 1 LYS CA 1 1 5 1339 1 1 1 LYS CB C 10.494 -1.705 0.758 1.00 . A A . 1 LYS CB 1 1 5 1340 1 1 1 LYS CD C 10.641 0.552 1.855 1.00 . A A . 1 LYS CD 1 1 5 1341 1 1 1 LYS CE C 11.033 1.186 3.180 1.00 . A A . 1 LYS CE 1 1 5 1342 1 1 1 LYS CG C 11.312 -0.799 1.664 1.00 . A A . 1 LYS CG 1 1 5 1343 1 1 1 LYS H1 H 11.119 -4.077 1.244 1.00 . A A . 1 LYS H1 1 1 5 1344 1 1 1 LYS H2 H 9.850 -4.599 2.274 1.00 . A A . 1 LYS H2 1 1 5 1345 1 1 1 LYS H3 H 11.002 -3.458 2.837 1.00 . A A . 1 LYS H3 1 1 5 1346 1 1 1 LYS HA H 9.172 -2.204 2.369 1.00 . A A . 1 LYS HA 1 1 5 1347 1 1 1 LYS HB2 H 11.174 -2.256 0.125 1.00 . A A . 1 LYS HB2 1 1 5 1348 1 1 1 LYS HB3 H 9.862 -1.085 0.139 1.00 . A A . 1 LYS HB3 1 1 5 1349 1 1 1 LYS HD2 H 10.939 1.208 1.051 1.00 . A A . 1 LYS HD2 1 1 5 1350 1 1 1 LYS HD3 H 9.570 0.416 1.834 1.00 . A A . 1 LYS HD3 1 1 5 1351 1 1 1 LYS HE2 H 10.259 0.982 3.905 1.00 . A A . 1 LYS HE2 1 1 5 1352 1 1 1 LYS HE3 H 11.963 0.749 3.513 1.00 . A A . 1 LYS HE3 1 1 5 1353 1 1 1 LYS HG2 H 11.423 -1.274 2.627 1.00 . A A . 1 LYS HG2 1 1 5 1354 1 1 1 LYS HG3 H 12.286 -0.647 1.220 1.00 . A A . 1 LYS HG3 1 1 5 1355 1 1 1 LYS HZ1 H 11.459 3.066 3.984 1.00 . A A . 1 LYS HZ1 1 1 5 1356 1 1 1 LYS HZ2 H 10.323 3.099 2.731 1.00 . A A . 1 LYS HZ2 1 1 5 1357 1 1 1 LYS HZ3 H 11.962 2.877 2.379 1.00 . A A . 1 LYS HZ3 1 1 5 1358 1 1 1 LYS N N 10.474 -3.808 2.013 1.00 . A A . 1 LYS N 1 1 5 1359 1 1 1 LYS NZ N 11.207 2.660 3.060 1.00 . A A . 1 LYS NZ 1 1 5 1360 1 1 1 LYS O O 8.750 -4.037 -0.278 1.00 . A A . 1 LYS O 1 1 5 1361 1 1 2 VAL C C 5.564 -2.007 -0.741 1.00 . A A . 2 VAL C 1 1 5 1362 1 1 2 VAL CA C 6.136 -3.171 0.056 1.00 . A A . 2 VAL CA 1 1 5 1363 1 1 2 VAL CB C 5.019 -3.755 0.946 1.00 . A A . 2 VAL CB 1 1 5 1364 1 1 2 VAL CG1 C 4.487 -2.698 1.904 1.00 . A A . 2 VAL CG1 1 1 5 1365 1 1 2 VAL CG2 C 3.894 -4.320 0.091 1.00 . A A . 2 VAL CG2 1 1 5 1366 1 1 2 VAL H H 7.154 -2.106 1.575 1.00 . A A . 2 VAL H 1 1 5 1367 1 1 2 VAL HA H 6.464 -3.941 -0.628 1.00 . A A . 2 VAL HA 1 1 5 1368 1 1 2 VAL HB H 5.437 -4.561 1.532 1.00 . A A . 2 VAL HB 1 1 5 1369 1 1 2 VAL HG11 H 4.170 -1.828 1.344 1.00 . A A . 2 VAL HG11 1 1 5 1370 1 1 2 VAL HG12 H 5.266 -2.413 2.597 1.00 . A A . 2 VAL HG12 1 1 5 1371 1 1 2 VAL HG13 H 3.647 -3.098 2.452 1.00 . A A . 2 VAL HG13 1 1 5 1372 1 1 2 VAL HG21 H 3.546 -5.248 0.522 1.00 . A A . 2 VAL HG21 1 1 5 1373 1 1 2 VAL HG22 H 4.257 -4.502 -0.909 1.00 . A A . 2 VAL HG22 1 1 5 1374 1 1 2 VAL HG23 H 3.079 -3.611 0.055 1.00 . A A . 2 VAL HG23 1 1 5 1375 1 1 2 VAL N N 7.286 -2.752 0.849 1.00 . A A . 2 VAL N 1 1 5 1376 1 1 2 VAL O O 5.579 -0.865 -0.284 1.00 . A A . 2 VAL O 1 1 5 1377 1 1 3 GLY C C 3.319 -0.571 -2.026 1.00 . A A . 3 GLY C 1 1 5 1378 1 1 3 GLY CA C 4.453 -1.267 -2.748 1.00 . A A . 3 GLY CA 1 1 5 1379 1 1 3 GLY H H 5.043 -3.234 -2.236 1.00 . A A . 3 GLY H 1 1 5 1380 1 1 3 GLY HA2 H 5.213 -0.542 -2.999 1.00 . A A . 3 GLY HA2 1 1 5 1381 1 1 3 GLY HA3 H 4.072 -1.709 -3.657 1.00 . A A . 3 GLY HA3 1 1 5 1382 1 1 3 GLY N N 5.041 -2.305 -1.926 1.00 . A A . 3 GLY N 1 1 5 1383 1 1 3 GLY O O 2.195 -1.066 -2.004 1.00 . A A . 3 GLY O 1 1 5 1384 1 1 4 ARG C C 1.325 1.495 -1.431 1.00 . A A . 4 ARG C 1 1 5 1385 1 1 4 ARG CA C 2.630 1.318 -0.656 1.00 . A A . 4 ARG CA 1 1 5 1386 1 1 4 ARG CB C 3.183 2.684 -0.265 1.00 . A A . 4 ARG CB 1 1 5 1387 1 1 4 ARG CD C 3.323 4.450 1.507 1.00 . A A . 4 ARG CD 1 1 5 1388 1 1 4 ARG CG C 2.587 3.214 1.022 1.00 . A A . 4 ARG CG 1 1 5 1389 1 1 4 ARG CZ C 4.323 3.816 3.669 1.00 . A A . 4 ARG CZ 1 1 5 1390 1 1 4 ARG H H 4.543 0.895 -1.443 1.00 . A A . 4 ARG H 1 1 5 1391 1 1 4 ARG HA H 2.422 0.767 0.244 1.00 . A A . 4 ARG HA 1 1 5 1392 1 1 4 ARG HB2 H 4.253 2.605 -0.141 1.00 . A A . 4 ARG HB2 1 1 5 1393 1 1 4 ARG HB3 H 2.970 3.388 -1.055 1.00 . A A . 4 ARG HB3 1 1 5 1394 1 1 4 ARG HD2 H 4.319 4.444 1.090 1.00 . A A . 4 ARG HD2 1 1 5 1395 1 1 4 ARG HD3 H 2.794 5.325 1.162 1.00 . A A . 4 ARG HD3 1 1 5 1396 1 1 4 ARG HE H 2.781 5.063 3.443 1.00 . A A . 4 ARG HE 1 1 5 1397 1 1 4 ARG HG2 H 1.552 3.465 0.849 1.00 . A A . 4 ARG HG2 1 1 5 1398 1 1 4 ARG HG3 H 2.652 2.444 1.779 1.00 . A A . 4 ARG HG3 1 1 5 1399 1 1 4 ARG HH11 H 5.193 2.953 2.060 1.00 . A A . 4 ARG HH11 1 1 5 1400 1 1 4 ARG HH12 H 5.878 2.527 3.592 1.00 . A A . 4 ARG HH12 1 1 5 1401 1 1 4 ARG HH21 H 3.683 4.504 5.458 1.00 . A A . 4 ARG HH21 1 1 5 1402 1 1 4 ARG HH22 H 5.021 3.406 5.521 1.00 . A A . 4 ARG HH22 1 1 5 1403 1 1 4 ARG N N 3.623 0.565 -1.409 1.00 . A A . 4 ARG N 1 1 5 1404 1 1 4 ARG NE N 3.421 4.496 2.964 1.00 . A A . 4 ARG NE 1 1 5 1405 1 1 4 ARG NH1 N 5.203 3.034 3.056 1.00 . A A . 4 ARG NH1 1 1 5 1406 1 1 4 ARG NH2 N 4.344 3.917 4.992 1.00 . A A . 4 ARG NH2 1 1 5 1407 1 1 4 ARG O O 0.256 1.634 -0.836 1.00 . A A . 4 ARG O 1 1 5 1408 1 1 5 ASN C C -0.455 0.337 -3.883 1.00 . A A . 5 ASN C 1 1 5 1409 1 1 5 ASN CA C 0.237 1.673 -3.597 1.00 . A A . 5 ASN CA 1 1 5 1410 1 1 5 ASN CB C 0.622 2.350 -4.913 1.00 . A A . 5 ASN CB 1 1 5 1411 1 1 5 ASN CG C -0.587 2.693 -5.762 1.00 . A A . 5 ASN CG 1 1 5 1412 1 1 5 ASN H H 2.294 1.393 -3.176 1.00 . A A . 5 ASN H 1 1 5 1413 1 1 5 ASN HA H -0.451 2.313 -3.063 1.00 . A A . 5 ASN HA 1 1 5 1414 1 1 5 ASN HB2 H 1.157 3.263 -4.698 1.00 . A A . 5 ASN HB2 1 1 5 1415 1 1 5 ASN HB3 H 1.260 1.688 -5.479 1.00 . A A . 5 ASN HB3 1 1 5 1416 1 1 5 ASN HD21 H -0.807 4.417 -4.796 1.00 . A A . 5 ASN HD21 1 1 5 1417 1 1 5 ASN HD22 H -1.962 4.101 -6.042 1.00 . A A . 5 ASN HD22 1 1 5 1418 1 1 5 ASN N N 1.417 1.500 -2.755 1.00 . A A . 5 ASN N 1 1 5 1419 1 1 5 ASN ND2 N -1.178 3.854 -5.508 1.00 . A A . 5 ASN ND2 1 1 5 1420 1 1 5 ASN O O -1.461 0.292 -4.591 1.00 . A A . 5 ASN O 1 1 5 1421 1 1 5 ASN OD1 O -0.983 1.924 -6.637 1.00 . A A . 5 ASN OD1 1 1 5 1422 1 1 6 ASP C C -1.335 -2.479 -2.337 1.00 . A A . 6 ASP C 1 1 5 1423 1 1 6 ASP CA C -0.476 -2.073 -3.534 1.00 . A A . 6 ASP CA 1 1 5 1424 1 1 6 ASP CB C 0.652 -3.092 -3.756 1.00 . A A . 6 ASP CB 1 1 5 1425 1 1 6 ASP CG C 0.199 -4.531 -3.590 1.00 . A A . 6 ASP CG 1 1 5 1426 1 1 6 ASP H H 0.887 -0.648 -2.779 1.00 . A A . 6 ASP H 1 1 5 1427 1 1 6 ASP HA H -1.098 -2.039 -4.415 1.00 . A A . 6 ASP HA 1 1 5 1428 1 1 6 ASP HB2 H 1.038 -2.974 -4.755 1.00 . A A . 6 ASP HB2 1 1 5 1429 1 1 6 ASP HB3 H 1.443 -2.899 -3.046 1.00 . A A . 6 ASP HB3 1 1 5 1430 1 1 6 ASP N N 0.088 -0.744 -3.333 1.00 . A A . 6 ASP N 1 1 5 1431 1 1 6 ASP O O -1.041 -2.113 -1.200 1.00 . A A . 6 ASP O 1 1 5 1432 1 1 6 ASP OD1 O -0.052 -4.946 -2.440 1.00 . A A . 6 ASP OD1 1 1 5 1433 1 1 6 ASP OD2 O 0.095 -5.241 -4.612 1.00 . A A . 6 ASP OD2 1 1 5 1434 1 1 7 PRO C C -2.571 -4.174 -0.278 1.00 . A A . 7 PRO C 1 1 5 1435 1 1 7 PRO CA C -3.317 -3.702 -1.523 1.00 . A A . 7 PRO CA 1 1 5 1436 1 1 7 PRO CB C -4.053 -4.865 -2.181 1.00 . A A . 7 PRO CB 1 1 5 1437 1 1 7 PRO CD C -2.839 -3.727 -3.912 1.00 . A A . 7 PRO CD 1 1 5 1438 1 1 7 PRO CG C -4.099 -4.505 -3.627 1.00 . A A . 7 PRO CG 1 1 5 1439 1 1 7 PRO HA H -4.024 -2.934 -1.247 1.00 . A A . 7 PRO HA 1 1 5 1440 1 1 7 PRO HB2 H -3.506 -5.782 -2.017 1.00 . A A . 7 PRO HB2 1 1 5 1441 1 1 7 PRO HB3 H -5.046 -4.951 -1.765 1.00 . A A . 7 PRO HB3 1 1 5 1442 1 1 7 PRO HD2 H -2.090 -4.372 -4.346 1.00 . A A . 7 PRO HD2 1 1 5 1443 1 1 7 PRO HD3 H -3.051 -2.898 -4.571 1.00 . A A . 7 PRO HD3 1 1 5 1444 1 1 7 PRO HG2 H -4.127 -5.403 -4.227 1.00 . A A . 7 PRO HG2 1 1 5 1445 1 1 7 PRO HG3 H -4.968 -3.896 -3.825 1.00 . A A . 7 PRO HG3 1 1 5 1446 1 1 7 PRO N N -2.414 -3.246 -2.581 1.00 . A A . 7 PRO N 1 1 5 1447 1 1 7 PRO O O -1.782 -5.118 -0.333 1.00 . A A . 7 PRO O 1 1 5 1448 1 1 8 CYS C C -2.103 -5.349 2.326 1.00 . A A . 8 CYS C 1 1 5 1449 1 1 8 CYS CA C -2.193 -3.835 2.119 1.00 . A A . 8 CYS CA 1 1 5 1450 1 1 8 CYS CB C -2.975 -3.200 3.270 1.00 . A A . 8 CYS CB 1 1 5 1451 1 1 8 CYS H H -3.466 -2.760 0.812 1.00 . A A . 8 CYS H 1 1 5 1452 1 1 8 CYS HA H -1.195 -3.423 2.104 1.00 . A A . 8 CYS HA 1 1 5 1453 1 1 8 CYS HB2 H -3.359 -2.244 2.949 1.00 . A A . 8 CYS HB2 1 1 5 1454 1 1 8 CYS HB3 H -3.801 -3.845 3.532 1.00 . A A . 8 CYS HB3 1 1 5 1455 1 1 8 CYS N N -2.829 -3.504 0.844 1.00 . A A . 8 CYS N 1 1 5 1456 1 1 8 CYS O O -3.071 -6.073 2.090 1.00 . A A . 8 CYS O 1 1 5 1457 1 1 8 CYS SG S -1.999 -2.921 4.764 1.00 . A A . 8 CYS SG 1 1 5 1458 1 1 9 PRO C C -1.615 -7.838 4.112 1.00 . A A . 9 PRO C 1 1 5 1459 1 1 9 PRO CA C -0.726 -7.284 3.001 1.00 . A A . 9 PRO CA 1 1 5 1460 1 1 9 PRO CB C 0.750 -7.377 3.404 1.00 . A A . 9 PRO CB 1 1 5 1461 1 1 9 PRO CD C 0.275 -5.062 3.072 1.00 . A A . 9 PRO CD 1 1 5 1462 1 1 9 PRO CG C 1.105 -6.013 3.886 1.00 . A A . 9 PRO CG 1 1 5 1463 1 1 9 PRO HA H -0.890 -7.856 2.099 1.00 . A A . 9 PRO HA 1 1 5 1464 1 1 9 PRO HB2 H 0.866 -8.114 4.184 1.00 . A A . 9 PRO HB2 1 1 5 1465 1 1 9 PRO HB3 H 1.342 -7.658 2.546 1.00 . A A . 9 PRO HB3 1 1 5 1466 1 1 9 PRO HD2 H 0.031 -4.185 3.650 1.00 . A A . 9 PRO HD2 1 1 5 1467 1 1 9 PRO HD3 H 0.793 -4.788 2.166 1.00 . A A . 9 PRO HD3 1 1 5 1468 1 1 9 PRO HG2 H 0.865 -5.919 4.934 1.00 . A A . 9 PRO HG2 1 1 5 1469 1 1 9 PRO HG3 H 2.156 -5.828 3.722 1.00 . A A . 9 PRO HG3 1 1 5 1470 1 1 9 PRO N N -0.934 -5.850 2.768 1.00 . A A . 9 PRO N 1 1 5 1471 1 1 9 PRO O O -1.818 -9.048 4.208 1.00 . A A . 9 PRO O 1 1 5 1472 1 1 10 CYS C C -4.193 -8.179 5.550 1.00 . A A . 10 CYS C 1 1 5 1473 1 1 10 CYS CA C -3.003 -7.365 6.056 1.00 . A A . 10 CYS CA 1 1 5 1474 1 1 10 CYS CB C -3.494 -6.144 6.838 1.00 . A A . 10 CYS CB 1 1 5 1475 1 1 10 CYS H H -1.943 -5.999 4.832 1.00 . A A . 10 CYS H 1 1 5 1476 1 1 10 CYS HA H -2.416 -7.988 6.714 1.00 . A A . 10 CYS HA 1 1 5 1477 1 1 10 CYS HB2 H -4.010 -6.479 7.726 1.00 . A A . 10 CYS HB2 1 1 5 1478 1 1 10 CYS HB3 H -2.642 -5.547 7.129 1.00 . A A . 10 CYS HB3 1 1 5 1479 1 1 10 CYS N N -2.140 -6.951 4.953 1.00 . A A . 10 CYS N 1 1 5 1480 1 1 10 CYS O O -4.748 -9.002 6.277 1.00 . A A . 10 CYS O 1 1 5 1481 1 1 10 CYS SG S -4.627 -5.076 5.920 1.00 . A A . 10 CYS SG 1 1 5 1482 1 1 11 GLY C C -7.027 -7.993 3.980 1.00 . A A . 11 GLY C 1 1 5 1483 1 1 11 GLY CA C -5.696 -8.669 3.719 1.00 . A A . 11 GLY CA 1 1 5 1484 1 1 11 GLY H H -4.098 -7.280 3.762 1.00 . A A . 11 GLY H 1 1 5 1485 1 1 11 GLY HA2 H -5.547 -8.744 2.652 1.00 . A A . 11 GLY HA2 1 1 5 1486 1 1 11 GLY HA3 H -5.721 -9.664 4.138 1.00 . A A . 11 GLY HA3 1 1 5 1487 1 1 11 GLY N N -4.578 -7.946 4.298 1.00 . A A . 11 GLY N 1 1 5 1488 1 1 11 GLY O O -8.063 -8.653 4.051 1.00 . A A . 11 GLY O 1 1 5 1489 1 1 12 SER C C -8.859 -5.456 3.071 1.00 . A A . 12 SER C 1 1 5 1490 1 1 12 SER CA C -8.215 -5.906 4.379 1.00 . A A . 12 SER CA 1 1 5 1491 1 1 12 SER CB C -7.901 -4.689 5.251 1.00 . A A . 12 SER CB 1 1 5 1492 1 1 12 SER H H -6.144 -6.202 4.056 1.00 . A A . 12 SER H 1 1 5 1493 1 1 12 SER HA H -8.906 -6.546 4.905 1.00 . A A . 12 SER HA 1 1 5 1494 1 1 12 SER HB2 H -8.825 -4.218 5.554 1.00 . A A . 12 SER HB2 1 1 5 1495 1 1 12 SER HB3 H -7.355 -5.007 6.127 1.00 . A A . 12 SER HB3 1 1 5 1496 1 1 12 SER HG H -7.638 -2.952 4.384 1.00 . A A . 12 SER HG 1 1 5 1497 1 1 12 SER N N -7.000 -6.673 4.124 1.00 . A A . 12 SER N 1 1 5 1498 1 1 12 SER O O -10.083 -5.361 2.971 1.00 . A A . 12 SER O 1 1 5 1499 1 1 12 SER OG O -7.118 -3.743 4.544 1.00 . A A . 12 SER OG 1 1 5 1500 1 1 13 GLY C C -7.990 -3.379 0.390 1.00 . A A . 13 GLY C 1 1 5 1501 1 1 13 GLY CA C -8.529 -4.739 0.786 1.00 . A A . 13 GLY CA 1 1 5 1502 1 1 13 GLY H H -7.060 -5.270 2.214 1.00 . A A . 13 GLY H 1 1 5 1503 1 1 13 GLY HA2 H -8.244 -5.460 0.034 1.00 . A A . 13 GLY HA2 1 1 5 1504 1 1 13 GLY HA3 H -9.607 -4.687 0.830 1.00 . A A . 13 GLY HA3 1 1 5 1505 1 1 13 GLY N N -8.026 -5.179 2.074 1.00 . A A . 13 GLY N 1 1 5 1506 1 1 13 GLY O O -7.859 -3.075 -0.796 1.00 . A A . 13 GLY O 1 1 5 1507 1 1 14 LYS C C -5.637 -1.274 0.913 1.00 . A A . 14 LYS C 1 1 5 1508 1 1 14 LYS CA C -7.143 -1.223 1.143 1.00 . A A . 14 LYS CA 1 1 5 1509 1 1 14 LYS CB C -7.457 -0.305 2.326 1.00 . A A . 14 LYS CB 1 1 5 1510 1 1 14 LYS CD C -9.431 0.329 3.745 1.00 . A A . 14 LYS CD 1 1 5 1511 1 1 14 LYS CE C -10.894 0.742 3.747 1.00 . A A . 14 LYS CE 1 1 5 1512 1 1 14 LYS CG C -8.885 0.213 2.331 1.00 . A A . 14 LYS CG 1 1 5 1513 1 1 14 LYS H H -7.800 -2.860 2.311 1.00 . A A . 14 LYS H 1 1 5 1514 1 1 14 LYS HA H -7.619 -0.832 0.257 1.00 . A A . 14 LYS HA 1 1 5 1515 1 1 14 LYS HB2 H -7.290 -0.850 3.244 1.00 . A A . 14 LYS HB2 1 1 5 1516 1 1 14 LYS HB3 H -6.789 0.543 2.295 1.00 . A A . 14 LYS HB3 1 1 5 1517 1 1 14 LYS HD2 H -9.338 -0.628 4.237 1.00 . A A . 14 LYS HD2 1 1 5 1518 1 1 14 LYS HD3 H -8.856 1.069 4.283 1.00 . A A . 14 LYS HD3 1 1 5 1519 1 1 14 LYS HE2 H -10.959 1.790 3.999 1.00 . A A . 14 LYS HE2 1 1 5 1520 1 1 14 LYS HE3 H -11.302 0.585 2.759 1.00 . A A . 14 LYS HE3 1 1 5 1521 1 1 14 LYS HG2 H -8.907 1.188 1.867 1.00 . A A . 14 LYS HG2 1 1 5 1522 1 1 14 LYS HG3 H -9.507 -0.468 1.769 1.00 . A A . 14 LYS HG3 1 1 5 1523 1 1 14 LYS HZ1 H -11.287 0.063 5.683 1.00 . A A . 14 LYS HZ1 1 1 5 1524 1 1 14 LYS HZ2 H -11.687 -1.048 4.473 1.00 . A A . 14 LYS HZ2 1 1 5 1525 1 1 14 LYS HZ3 H -12.675 0.297 4.744 1.00 . A A . 14 LYS HZ3 1 1 5 1526 1 1 14 LYS N N -7.674 -2.558 1.387 1.00 . A A . 14 LYS N 1 1 5 1527 1 1 14 LYS NZ N -11.692 -0.041 4.731 1.00 . A A . 14 LYS NZ 1 1 5 1528 1 1 14 LYS O O -4.954 -2.168 1.410 1.00 . A A . 14 LYS O 1 1 5 1529 1 1 15 LYS C C -2.912 0.185 1.104 1.00 . A A . 15 LYS C 1 1 5 1530 1 1 15 LYS CA C -3.694 -0.245 -0.132 1.00 . A A . 15 LYS CA 1 1 5 1531 1 1 15 LYS CB C -3.425 0.724 -1.285 1.00 . A A . 15 LYS CB 1 1 5 1532 1 1 15 LYS CD C -4.922 1.417 -3.187 1.00 . A A . 15 LYS CD 1 1 5 1533 1 1 15 LYS CE C -6.405 1.157 -2.979 1.00 . A A . 15 LYS CE 1 1 5 1534 1 1 15 LYS CG C -4.071 0.302 -2.596 1.00 . A A . 15 LYS CG 1 1 5 1535 1 1 15 LYS H H -5.715 0.379 -0.210 1.00 . A A . 15 LYS H 1 1 5 1536 1 1 15 LYS HA H -3.371 -1.234 -0.422 1.00 . A A . 15 LYS HA 1 1 5 1537 1 1 15 LYS HB2 H -3.804 1.700 -1.016 1.00 . A A . 15 LYS HB2 1 1 5 1538 1 1 15 LYS HB3 H -2.358 0.793 -1.441 1.00 . A A . 15 LYS HB3 1 1 5 1539 1 1 15 LYS HD2 H -4.659 2.349 -2.709 1.00 . A A . 15 LYS HD2 1 1 5 1540 1 1 15 LYS HD3 H -4.722 1.485 -4.246 1.00 . A A . 15 LYS HD3 1 1 5 1541 1 1 15 LYS HE2 H -6.578 0.092 -3.007 1.00 . A A . 15 LYS HE2 1 1 5 1542 1 1 15 LYS HE3 H -6.693 1.542 -2.011 1.00 . A A . 15 LYS HE3 1 1 5 1543 1 1 15 LYS HG2 H -3.297 0.044 -3.301 1.00 . A A . 15 LYS HG2 1 1 5 1544 1 1 15 LYS HG3 H -4.697 -0.559 -2.416 1.00 . A A . 15 LYS HG3 1 1 5 1545 1 1 15 LYS HZ1 H -8.201 1.422 -4.014 1.00 . A A . 15 LYS HZ1 1 1 5 1546 1 1 15 LYS HZ2 H -6.822 1.644 -4.968 1.00 . A A . 15 LYS HZ2 1 1 5 1547 1 1 15 LYS HZ3 H -7.284 2.836 -3.859 1.00 . A A . 15 LYS HZ3 1 1 5 1548 1 1 15 LYS N N -5.122 -0.307 0.158 1.00 . A A . 15 LYS N 1 1 5 1549 1 1 15 LYS NZ N -7.236 1.811 -4.028 1.00 . A A . 15 LYS NZ 1 1 5 1550 1 1 15 LYS O O -3.483 0.712 2.059 1.00 . A A . 15 LYS O 1 1 5 1551 1 1 16 TYR C C -1.011 1.749 2.669 1.00 . A A . 16 TYR C 1 1 5 1552 1 1 16 TYR CA C -0.738 0.319 2.201 1.00 . A A . 16 TYR CA 1 1 5 1553 1 1 16 TYR CB C 0.729 0.171 1.796 1.00 . A A . 16 TYR CB 1 1 5 1554 1 1 16 TYR CD1 C 1.107 -1.506 3.654 1.00 . A A . 16 TYR CD1 1 1 5 1555 1 1 16 TYR CD2 C 2.926 -0.105 3.009 1.00 . A A . 16 TYR CD2 1 1 5 1556 1 1 16 TYR CE1 C 1.904 -2.108 4.609 1.00 . A A . 16 TYR CE1 1 1 5 1557 1 1 16 TYR CE2 C 3.729 -0.704 3.960 1.00 . A A . 16 TYR CE2 1 1 5 1558 1 1 16 TYR CG C 1.603 -0.494 2.839 1.00 . A A . 16 TYR CG 1 1 5 1559 1 1 16 TYR CZ C 3.214 -1.703 4.759 1.00 . A A . 16 TYR CZ 1 1 5 1560 1 1 16 TYR H H -1.204 -0.468 0.292 1.00 . A A . 16 TYR H 1 1 5 1561 1 1 16 TYR HA H -0.951 -0.356 3.013 1.00 . A A . 16 TYR HA 1 1 5 1562 1 1 16 TYR HB2 H 0.788 -0.420 0.895 1.00 . A A . 16 TYR HB2 1 1 5 1563 1 1 16 TYR HB3 H 1.138 1.152 1.600 1.00 . A A . 16 TYR HB3 1 1 5 1564 1 1 16 TYR HD1 H 0.083 -1.823 3.535 1.00 . A A . 16 TYR HD1 1 1 5 1565 1 1 16 TYR HD2 H 3.328 0.677 2.378 1.00 . A A . 16 TYR HD2 1 1 5 1566 1 1 16 TYR HE1 H 1.500 -2.893 5.232 1.00 . A A . 16 TYR HE1 1 1 5 1567 1 1 16 TYR HE2 H 4.755 -0.387 4.078 1.00 . A A . 16 TYR HE2 1 1 5 1568 1 1 16 TYR HH H 4.837 -2.577 5.304 1.00 . A A . 16 TYR HH 1 1 5 1569 1 1 16 TYR N N -1.602 -0.043 1.081 1.00 . A A . 16 TYR N 1 1 5 1570 1 1 16 TYR O O -1.419 1.970 3.809 1.00 . A A . 16 TYR O 1 1 5 1571 1 1 16 TYR OH O 4.011 -2.301 5.707 1.00 . A A . 16 TYR OH 1 1 5 1572 1 1 17 LYS C C -2.434 4.337 2.619 1.00 . A A . 17 LYS C 1 1 5 1573 1 1 17 LYS CA C -1.014 4.120 2.108 1.00 . A A . 17 LYS CA 1 1 5 1574 1 1 17 LYS CB C -0.766 5.000 0.880 1.00 . A A . 17 LYS CB 1 1 5 1575 1 1 17 LYS CD C -1.718 5.792 -1.305 1.00 . A A . 17 LYS CD 1 1 5 1576 1 1 17 LYS CE C -2.134 5.303 -2.683 1.00 . A A . 17 LYS CE 1 1 5 1577 1 1 17 LYS CG C -1.649 4.649 -0.306 1.00 . A A . 17 LYS CG 1 1 5 1578 1 1 17 LYS H H -0.464 2.477 0.888 1.00 . A A . 17 LYS H 1 1 5 1579 1 1 17 LYS HA H -0.317 4.397 2.885 1.00 . A A . 17 LYS HA 1 1 5 1580 1 1 17 LYS HB2 H -0.951 6.030 1.147 1.00 . A A . 17 LYS HB2 1 1 5 1581 1 1 17 LYS HB3 H 0.265 4.895 0.577 1.00 . A A . 17 LYS HB3 1 1 5 1582 1 1 17 LYS HD2 H -2.440 6.517 -0.959 1.00 . A A . 17 LYS HD2 1 1 5 1583 1 1 17 LYS HD3 H -0.745 6.255 -1.376 1.00 . A A . 17 LYS HD3 1 1 5 1584 1 1 17 LYS HE2 H -1.779 6.007 -3.423 1.00 . A A . 17 LYS HE2 1 1 5 1585 1 1 17 LYS HE3 H -1.684 4.338 -2.860 1.00 . A A . 17 LYS HE3 1 1 5 1586 1 1 17 LYS HG2 H -1.244 3.778 -0.799 1.00 . A A . 17 LYS HG2 1 1 5 1587 1 1 17 LYS HG3 H -2.646 4.433 0.051 1.00 . A A . 17 LYS HG3 1 1 5 1588 1 1 17 LYS HZ1 H -4.083 5.800 -2.116 1.00 . A A . 17 LYS HZ1 1 1 5 1589 1 1 17 LYS HZ2 H -3.905 4.197 -2.626 1.00 . A A . 17 LYS HZ2 1 1 5 1590 1 1 17 LYS HZ3 H -3.917 5.449 -3.763 1.00 . A A . 17 LYS HZ3 1 1 5 1591 1 1 17 LYS N N -0.787 2.715 1.782 1.00 . A A . 17 LYS N 1 1 5 1592 1 1 17 LYS NZ N -3.613 5.178 -2.806 1.00 . A A . 17 LYS NZ 1 1 5 1593 1 1 17 LYS O O -2.685 5.220 3.438 1.00 . A A . 17 LYS O 1 1 5 1594 1 1 18 GLN C C -5.056 2.731 3.730 1.00 . A A . 18 GLN C 1 1 5 1595 1 1 18 GLN CA C -4.759 3.618 2.525 1.00 . A A . 18 GLN CA 1 1 5 1596 1 1 18 GLN CB C -5.664 3.208 1.363 1.00 . A A . 18 GLN CB 1 1 5 1597 1 1 18 GLN CD C -8.005 3.499 0.462 1.00 . A A . 18 GLN CD 1 1 5 1598 1 1 18 GLN CG C -6.815 4.169 1.119 1.00 . A A . 18 GLN CG 1 1 5 1599 1 1 18 GLN H H -3.097 2.839 1.474 1.00 . A A . 18 GLN H 1 1 5 1600 1 1 18 GLN HA H -4.964 4.645 2.784 1.00 . A A . 18 GLN HA 1 1 5 1601 1 1 18 GLN HB2 H -5.071 3.152 0.462 1.00 . A A . 18 GLN HB2 1 1 5 1602 1 1 18 GLN HB3 H -6.076 2.230 1.574 1.00 . A A . 18 GLN HB3 1 1 5 1603 1 1 18 GLN HE21 H -9.172 4.028 1.983 1.00 . A A . 18 GLN HE21 1 1 5 1604 1 1 18 GLN HE22 H -9.943 3.135 0.721 1.00 . A A . 18 GLN HE22 1 1 5 1605 1 1 18 GLN HG2 H -7.130 4.581 2.066 1.00 . A A . 18 GLN HG2 1 1 5 1606 1 1 18 GLN HG3 H -6.470 4.966 0.477 1.00 . A A . 18 GLN HG3 1 1 5 1607 1 1 18 GLN N N -3.360 3.522 2.125 1.00 . A A . 18 GLN N 1 1 5 1608 1 1 18 GLN NE2 N -9.156 3.560 1.122 1.00 . A A . 18 GLN NE2 1 1 5 1609 1 1 18 GLN O O -6.215 2.555 4.106 1.00 . A A . 18 GLN O 1 1 5 1610 1 1 18 GLN OE1 O -7.893 2.932 -0.624 1.00 . A A . 18 GLN OE1 1 1 5 1611 1 1 19 CYS C C -2.979 1.342 6.409 1.00 . A A . 19 CYS C 1 1 5 1612 1 1 19 CYS CA C -4.195 1.285 5.473 1.00 . A A . 19 CYS CA 1 1 5 1613 1 1 19 CYS CB C -4.469 -0.138 4.976 1.00 . A A . 19 CYS CB 1 1 5 1614 1 1 19 CYS H H -3.112 2.322 3.983 1.00 . A A . 19 CYS H 1 1 5 1615 1 1 19 CYS HA H -5.061 1.635 6.016 1.00 . A A . 19 CYS HA 1 1 5 1616 1 1 19 CYS HB2 H -5.151 -0.087 4.136 1.00 . A A . 19 CYS HB2 1 1 5 1617 1 1 19 CYS HB3 H -3.542 -0.584 4.649 1.00 . A A . 19 CYS HB3 1 1 5 1618 1 1 19 CYS N N -4.015 2.161 4.327 1.00 . A A . 19 CYS N 1 1 5 1619 1 1 19 CYS O O -2.650 2.410 6.926 1.00 . A A . 19 CYS O 1 1 5 1620 1 1 19 CYS SG S -5.204 -1.228 6.217 1.00 . A A . 19 CYS SG 1 1 5 1621 1 1 20 HIS C C -0.059 1.114 7.014 1.00 . A A . 20 HIS C 1 1 5 1622 1 1 20 HIS CA C -1.150 0.174 7.517 1.00 . A A . 20 HIS CA 1 1 5 1623 1 1 20 HIS CB C -0.602 -1.250 7.628 1.00 . A A . 20 HIS CB 1 1 5 1624 1 1 20 HIS CD2 C -1.184 -2.438 9.844 1.00 . A A . 20 HIS CD2 1 1 5 1625 1 1 20 HIS CE1 C -2.985 -3.448 9.151 1.00 . A A . 20 HIS CE1 1 1 5 1626 1 1 20 HIS CG C -1.400 -2.129 8.542 1.00 . A A . 20 HIS CG 1 1 5 1627 1 1 20 HIS H H -2.609 -0.622 6.209 1.00 . A A . 20 HIS H 1 1 5 1628 1 1 20 HIS HA H -1.467 0.504 8.494 1.00 . A A . 20 HIS HA 1 1 5 1629 1 1 20 HIS HB2 H -0.599 -1.705 6.649 1.00 . A A . 20 HIS HB2 1 1 5 1630 1 1 20 HIS HB3 H 0.409 -1.210 8.003 1.00 . A A . 20 HIS HB3 1 1 5 1631 1 1 20 HIS HD2 H -0.372 -2.090 10.466 1.00 . A A . 20 HIS HD2 1 1 5 1632 1 1 20 HIS HE1 H -3.873 -4.062 9.138 1.00 . A A . 20 HIS HE1 1 1 5 1633 1 1 20 HIS HE2 H -2.418 -3.533 11.145 1.00 . A A . 20 HIS HE2 1 1 5 1634 1 1 20 HIS N N -2.314 0.206 6.636 1.00 . A A . 20 HIS N 1 1 5 1635 1 1 20 HIS ND1 N -2.536 -2.768 8.111 1.00 . A A . 20 HIS ND1 1 1 5 1636 1 1 20 HIS NE2 N -2.199 -3.278 10.224 1.00 . A A . 20 HIS NE2 1 1 5 1637 1 1 20 HIS O O 0.588 1.805 7.801 1.00 . A A . 20 HIS O 1 1 5 1638 1 1 21 GLY C C 0.933 3.456 5.452 1.00 . A A . 21 GLY C 1 1 5 1639 1 1 21 GLY CA C 1.153 1.994 5.117 1.00 . A A . 21 GLY CA 1 1 5 1640 1 1 21 GLY H H -0.407 0.563 5.122 1.00 . A A . 21 GLY H 1 1 5 1641 1 1 21 GLY HA2 H 2.122 1.693 5.487 1.00 . A A . 21 GLY HA2 1 1 5 1642 1 1 21 GLY HA3 H 1.137 1.876 4.044 1.00 . A A . 21 GLY HA3 1 1 5 1643 1 1 21 GLY N N 0.140 1.135 5.701 1.00 . A A . 21 GLY N 1 1 5 1644 1 1 21 GLY O O 1.882 4.185 5.738 1.00 . A A . 21 GLY O 1 1 5 1645 1 1 22 ARG C C 0.032 6.228 4.763 1.00 . A A . 22 ARG C 1 1 5 1646 1 1 22 ARG CA C -0.669 5.270 5.721 1.00 . A A . 22 ARG CA 1 1 5 1647 1 1 22 ARG CB C -0.289 5.605 7.165 1.00 . A A . 22 ARG CB 1 1 5 1648 1 1 22 ARG CD C -0.780 7.871 8.140 1.00 . A A . 22 ARG CD 1 1 5 1649 1 1 22 ARG CG C -1.315 6.472 7.879 1.00 . A A . 22 ARG CG 1 1 5 1650 1 1 22 ARG CZ C -1.932 8.548 10.212 1.00 . A A . 22 ARG CZ 1 1 5 1651 1 1 22 ARG H H -1.039 3.257 5.185 1.00 . A A . 22 ARG H 1 1 5 1652 1 1 22 ARG HA H -1.736 5.379 5.605 1.00 . A A . 22 ARG HA 1 1 5 1653 1 1 22 ARG HB2 H -0.181 4.684 7.719 1.00 . A A . 22 ARG HB2 1 1 5 1654 1 1 22 ARG HB3 H 0.657 6.128 7.166 1.00 . A A . 22 ARG HB3 1 1 5 1655 1 1 22 ARG HD2 H 0.142 7.792 8.696 1.00 . A A . 22 ARG HD2 1 1 5 1656 1 1 22 ARG HD3 H -0.589 8.353 7.193 1.00 . A A . 22 ARG HD3 1 1 5 1657 1 1 22 ARG HE H -2.232 9.367 8.416 1.00 . A A . 22 ARG HE 1 1 5 1658 1 1 22 ARG HG2 H -2.199 6.545 7.263 1.00 . A A . 22 ARG HG2 1 1 5 1659 1 1 22 ARG HG3 H -1.568 6.010 8.822 1.00 . A A . 22 ARG HG3 1 1 5 1660 1 1 22 ARG HH11 H -0.602 7.042 10.446 1.00 . A A . 22 ARG HH11 1 1 5 1661 1 1 22 ARG HH12 H -1.424 7.537 11.888 1.00 . A A . 22 ARG HH12 1 1 5 1662 1 1 22 ARG HH21 H -3.313 10.019 10.311 1.00 . A A . 22 ARG HH21 1 1 5 1663 1 1 22 ARG HH22 H -2.964 9.227 11.811 1.00 . A A . 22 ARG HH22 1 1 5 1664 1 1 22 ARG N N -0.325 3.886 5.419 1.00 . A A . 22 ARG N 1 1 5 1665 1 1 22 ARG NE N -1.725 8.684 8.904 1.00 . A A . 22 ARG NE 1 1 5 1666 1 1 22 ARG NH1 N -1.264 7.634 10.905 1.00 . A A . 22 ARG NH1 1 1 5 1667 1 1 22 ARG NH2 N -2.809 9.329 10.828 1.00 . A A . 22 ARG NH2 1 1 5 1668 1 1 22 ARG O O 1.196 6.591 5.034 1.00 . A A . 22 ARG O 1 1 5 1669 1 1 22 ARG OXT O -0.589 6.607 3.747 1.00 . A A . 22 ARG OXT 1 1 5 1670 2 2 1 ZN ZN ZN -3.660 -2.991 6.433 1.00 . B A . 23 ZN ZN 1 1 6 1671 1 1 1 LYS C C 8.594 -3.118 0.668 1.00 . A A . 1 LYS C 1 1 6 1672 1 1 1 LYS CA C 9.701 -2.526 1.537 1.00 . A A . 1 LYS CA 1 1 6 1673 1 1 1 LYS CB C 10.439 -1.419 0.780 1.00 . A A . 1 LYS CB 1 1 6 1674 1 1 1 LYS CD C 10.277 1.053 0.351 1.00 . A A . 1 LYS CD 1 1 6 1675 1 1 1 LYS CE C 11.070 2.268 0.806 1.00 . A A . 1 LYS CE 1 1 6 1676 1 1 1 LYS CG C 10.278 -0.043 1.406 1.00 . A A . 1 LYS CG 1 1 6 1677 1 1 1 LYS H1 H 11.035 -4.019 1.067 1.00 . A A . 1 LYS H1 1 1 6 1678 1 1 1 LYS H2 H 10.194 -4.251 2.544 1.00 . A A . 1 LYS H2 1 1 6 1679 1 1 1 LYS H3 H 11.457 -3.092 2.445 1.00 . A A . 1 LYS H3 1 1 6 1680 1 1 1 LYS HA H 9.260 -2.112 2.432 1.00 . A A . 1 LYS HA 1 1 6 1681 1 1 1 LYS HB2 H 11.492 -1.657 0.754 1.00 . A A . 1 LYS HB2 1 1 6 1682 1 1 1 LYS HB3 H 10.064 -1.377 -0.233 1.00 . A A . 1 LYS HB3 1 1 6 1683 1 1 1 LYS HD2 H 10.719 0.666 -0.556 1.00 . A A . 1 LYS HD2 1 1 6 1684 1 1 1 LYS HD3 H 9.257 1.351 0.157 1.00 . A A . 1 LYS HD3 1 1 6 1685 1 1 1 LYS HE2 H 11.407 2.107 1.819 1.00 . A A . 1 LYS HE2 1 1 6 1686 1 1 1 LYS HE3 H 11.925 2.387 0.157 1.00 . A A . 1 LYS HE3 1 1 6 1687 1 1 1 LYS HG2 H 9.342 -0.011 1.944 1.00 . A A . 1 LYS HG2 1 1 6 1688 1 1 1 LYS HG3 H 11.095 0.129 2.090 1.00 . A A . 1 LYS HG3 1 1 6 1689 1 1 1 LYS HZ1 H 10.360 3.978 -0.162 1.00 . A A . 1 LYS HZ1 1 1 6 1690 1 1 1 LYS HZ2 H 10.560 4.169 1.506 1.00 . A A . 1 LYS HZ2 1 1 6 1691 1 1 1 LYS HZ3 H 9.247 3.285 0.908 1.00 . A A . 1 LYS HZ3 1 1 6 1692 1 1 1 LYS N N 10.686 -3.566 1.934 1.00 . A A . 1 LYS N 1 1 6 1693 1 1 1 LYS NZ N 10.252 3.513 0.761 1.00 . A A . 1 LYS NZ 1 1 6 1694 1 1 1 LYS O O 8.825 -4.061 -0.089 1.00 . A A . 1 LYS O 1 1 6 1695 1 1 2 VAL C C 5.636 -1.900 -0.806 1.00 . A A . 2 VAL C 1 1 6 1696 1 1 2 VAL CA C 6.253 -3.029 0.008 1.00 . A A . 2 VAL CA 1 1 6 1697 1 1 2 VAL CB C 5.163 -3.631 0.918 1.00 . A A . 2 VAL CB 1 1 6 1698 1 1 2 VAL CG1 C 4.588 -2.569 1.846 1.00 . A A . 2 VAL CG1 1 1 6 1699 1 1 2 VAL CG2 C 4.062 -4.266 0.081 1.00 . A A . 2 VAL CG2 1 1 6 1700 1 1 2 VAL H H 7.275 -1.808 1.404 1.00 . A A . 2 VAL H 1 1 6 1701 1 1 2 VAL HA H 6.600 -3.799 -0.665 1.00 . A A . 2 VAL HA 1 1 6 1702 1 1 2 VAL HB H 5.615 -4.402 1.525 1.00 . A A . 2 VAL HB 1 1 6 1703 1 1 2 VAL HG11 H 3.688 -2.157 1.412 1.00 . A A . 2 VAL HG11 1 1 6 1704 1 1 2 VAL HG12 H 5.313 -1.780 1.983 1.00 . A A . 2 VAL HG12 1 1 6 1705 1 1 2 VAL HG13 H 4.355 -3.014 2.803 1.00 . A A . 2 VAL HG13 1 1 6 1706 1 1 2 VAL HG21 H 3.744 -5.189 0.545 1.00 . A A . 2 VAL HG21 1 1 6 1707 1 1 2 VAL HG22 H 4.436 -4.472 -0.911 1.00 . A A . 2 VAL HG22 1 1 6 1708 1 1 2 VAL HG23 H 3.222 -3.588 0.017 1.00 . A A . 2 VAL HG23 1 1 6 1709 1 1 2 VAL N N 7.395 -2.557 0.783 1.00 . A A . 2 VAL N 1 1 6 1710 1 1 2 VAL O O 5.624 -0.747 -0.374 1.00 . A A . 2 VAL O 1 1 6 1711 1 1 3 GLY C C 3.324 -0.568 -2.089 1.00 . A A . 3 GLY C 1 1 6 1712 1 1 3 GLY CA C 4.475 -1.236 -2.810 1.00 . A A . 3 GLY CA 1 1 6 1713 1 1 3 GLY H H 5.130 -3.174 -2.266 1.00 . A A . 3 GLY H 1 1 6 1714 1 1 3 GLY HA2 H 5.207 -0.488 -3.080 1.00 . A A . 3 GLY HA2 1 1 6 1715 1 1 3 GLY HA3 H 4.102 -1.706 -3.708 1.00 . A A . 3 GLY HA3 1 1 6 1716 1 1 3 GLY N N 5.106 -2.238 -1.976 1.00 . A A . 3 GLY N 1 1 6 1717 1 1 3 GLY O O 2.210 -1.084 -2.075 1.00 . A A . 3 GLY O 1 1 6 1718 1 1 4 ARG C C 1.285 1.452 -1.488 1.00 . A A . 4 ARG C 1 1 6 1719 1 1 4 ARG CA C 2.591 1.299 -0.709 1.00 . A A . 4 ARG CA 1 1 6 1720 1 1 4 ARG CB C 3.119 2.673 -0.312 1.00 . A A . 4 ARG CB 1 1 6 1721 1 1 4 ARG CD C 3.155 4.490 1.420 1.00 . A A . 4 ARG CD 1 1 6 1722 1 1 4 ARG CG C 2.497 3.199 0.967 1.00 . A A . 4 ARG CG 1 1 6 1723 1 1 4 ARG CZ C 3.871 5.800 -0.546 1.00 . A A . 4 ARG CZ 1 1 6 1724 1 1 4 ARG H H 4.517 0.918 -1.491 1.00 . A A . 4 ARG H 1 1 6 1725 1 1 4 ARG HA H 2.393 0.738 0.187 1.00 . A A . 4 ARG HA 1 1 6 1726 1 1 4 ARG HB2 H 4.188 2.609 -0.170 1.00 . A A . 4 ARG HB2 1 1 6 1727 1 1 4 ARG HB3 H 2.908 3.374 -1.105 1.00 . A A . 4 ARG HB3 1 1 6 1728 1 1 4 ARG HD2 H 2.699 4.803 2.347 1.00 . A A . 4 ARG HD2 1 1 6 1729 1 1 4 ARG HD3 H 4.206 4.305 1.581 1.00 . A A . 4 ARG HD3 1 1 6 1730 1 1 4 ARG HE H 2.209 6.130 0.508 1.00 . A A . 4 ARG HE 1 1 6 1731 1 1 4 ARG HG2 H 1.447 3.379 0.793 1.00 . A A . 4 ARG HG2 1 1 6 1732 1 1 4 ARG HG3 H 2.613 2.454 1.742 1.00 . A A . 4 ARG HG3 1 1 6 1733 1 1 4 ARG HH11 H 5.136 4.303 -0.048 1.00 . A A . 4 ARG HH11 1 1 6 1734 1 1 4 ARG HH12 H 5.605 5.243 -1.423 1.00 . A A . 4 ARG HH12 1 1 6 1735 1 1 4 ARG HH21 H 2.832 7.362 -1.299 1.00 . A A . 4 ARG HH21 1 1 6 1736 1 1 4 ARG HH22 H 4.301 6.977 -2.132 1.00 . A A . 4 ARG HH22 1 1 6 1737 1 1 4 ARG N N 3.603 0.569 -1.463 1.00 . A A . 4 ARG N 1 1 6 1738 1 1 4 ARG NE N 3.003 5.560 0.435 1.00 . A A . 4 ARG NE 1 1 6 1739 1 1 4 ARG NH1 N 4.960 5.053 -0.682 1.00 . A A . 4 ARG NH1 1 1 6 1740 1 1 4 ARG NH2 N 3.650 6.794 -1.396 1.00 . A A . 4 ARG NH2 1 1 6 1741 1 1 4 ARG O O 0.212 1.567 -0.896 1.00 . A A . 4 ARG O 1 1 6 1742 1 1 5 ASN C C -0.490 0.265 -3.908 1.00 . A A . 5 ASN C 1 1 6 1743 1 1 5 ASN CA C 0.199 1.609 -3.659 1.00 . A A . 5 ASN CA 1 1 6 1744 1 1 5 ASN CB C 0.583 2.251 -4.993 1.00 . A A . 5 ASN CB 1 1 6 1745 1 1 5 ASN CG C -0.613 2.842 -5.714 1.00 . A A . 5 ASN CG 1 1 6 1746 1 1 5 ASN H H 2.260 1.371 -3.230 1.00 . A A . 5 ASN H 1 1 6 1747 1 1 5 ASN HA H -0.489 2.261 -3.143 1.00 . A A . 5 ASN HA 1 1 6 1748 1 1 5 ASN HB2 H 1.297 3.040 -4.813 1.00 . A A . 5 ASN HB2 1 1 6 1749 1 1 5 ASN HB3 H 1.032 1.502 -5.630 1.00 . A A . 5 ASN HB3 1 1 6 1750 1 1 5 ASN HD21 H 0.008 2.062 -7.434 1.00 . A A . 5 ASN HD21 1 1 6 1751 1 1 5 ASN HD22 H -1.459 2.971 -7.508 1.00 . A A . 5 ASN HD22 1 1 6 1752 1 1 5 ASN N N 1.380 1.461 -2.812 1.00 . A A . 5 ASN N 1 1 6 1753 1 1 5 ASN ND2 N -0.696 2.600 -7.017 1.00 . A A . 5 ASN ND2 1 1 6 1754 1 1 5 ASN O O -1.496 0.200 -4.615 1.00 . A A . 5 ASN O 1 1 6 1755 1 1 5 ASN OD1 O -1.451 3.508 -5.108 1.00 . A A . 5 ASN OD1 1 1 6 1756 1 1 6 ASP C C -1.366 -2.513 -2.287 1.00 . A A . 6 ASP C 1 1 6 1757 1 1 6 ASP CA C -0.510 -2.136 -3.494 1.00 . A A . 6 ASP CA 1 1 6 1758 1 1 6 ASP CB C 0.618 -3.159 -3.692 1.00 . A A . 6 ASP CB 1 1 6 1759 1 1 6 ASP CG C 0.165 -4.595 -3.488 1.00 . A A . 6 ASP CG 1 1 6 1760 1 1 6 ASP H H 0.854 -0.691 -2.778 1.00 . A A . 6 ASP H 1 1 6 1761 1 1 6 ASP HA H -1.134 -2.126 -4.375 1.00 . A A . 6 ASP HA 1 1 6 1762 1 1 6 ASP HB2 H 1.002 -3.068 -4.695 1.00 . A A . 6 ASP HB2 1 1 6 1763 1 1 6 ASP HB3 H 1.411 -2.949 -2.989 1.00 . A A . 6 ASP HB3 1 1 6 1764 1 1 6 ASP N N 0.054 -0.802 -3.330 1.00 . A A . 6 ASP N 1 1 6 1765 1 1 6 ASP O O -1.070 -2.119 -1.159 1.00 . A A . 6 ASP O 1 1 6 1766 1 1 6 ASP OD1 O -0.063 -4.985 -2.324 1.00 . A A . 6 ASP OD1 1 1 6 1767 1 1 6 ASP OD2 O 0.038 -5.325 -4.493 1.00 . A A . 6 ASP OD2 1 1 6 1768 1 1 7 PRO C C -2.594 -4.172 -0.187 1.00 . A A . 7 PRO C 1 1 6 1769 1 1 7 PRO CA C -3.344 -3.720 -1.438 1.00 . A A . 7 PRO CA 1 1 6 1770 1 1 7 PRO CB C -4.089 -4.892 -2.071 1.00 . A A . 7 PRO CB 1 1 6 1771 1 1 7 PRO CD C -2.871 -3.803 -3.827 1.00 . A A . 7 PRO CD 1 1 6 1772 1 1 7 PRO CG C -4.137 -4.563 -3.523 1.00 . A A . 7 PRO CG 1 1 6 1773 1 1 7 PRO HA H -4.047 -2.943 -1.174 1.00 . A A . 7 PRO HA 1 1 6 1774 1 1 7 PRO HB2 H -3.547 -5.808 -1.888 1.00 . A A . 7 PRO HB2 1 1 6 1775 1 1 7 PRO HB3 H -5.081 -4.962 -1.651 1.00 . A A . 7 PRO HB3 1 1 6 1776 1 1 7 PRO HD2 H -2.125 -4.464 -4.242 1.00 . A A . 7 PRO HD2 1 1 6 1777 1 1 7 PRO HD3 H -3.074 -2.990 -4.509 1.00 . A A . 7 PRO HD3 1 1 6 1778 1 1 7 PRO HG2 H -4.174 -5.472 -4.104 1.00 . A A . 7 PRO HG2 1 1 6 1779 1 1 7 PRO HG3 H -5.000 -3.949 -3.732 1.00 . A A . 7 PRO HG3 1 1 6 1780 1 1 7 PRO N N -2.444 -3.287 -2.510 1.00 . A A . 7 PRO N 1 1 6 1781 1 1 7 PRO O O -1.814 -5.124 -0.231 1.00 . A A . 7 PRO O 1 1 6 1782 1 1 8 CYS C C -2.099 -5.305 2.423 1.00 . A A . 8 CYS C 1 1 6 1783 1 1 8 CYS CA C -2.194 -3.793 2.200 1.00 . A A . 8 CYS CA 1 1 6 1784 1 1 8 CYS CB C -2.972 -3.148 3.350 1.00 . A A . 8 CYS CB 1 1 6 1785 1 1 8 CYS H H -3.468 -2.729 0.885 1.00 . A A . 8 CYS H 1 1 6 1786 1 1 8 CYS HA H -1.198 -3.379 2.177 1.00 . A A . 8 CYS HA 1 1 6 1787 1 1 8 CYS HB2 H -3.350 -2.191 3.025 1.00 . A A . 8 CYS HB2 1 1 6 1788 1 1 8 CYS HB3 H -3.803 -3.785 3.613 1.00 . A A . 8 CYS HB3 1 1 6 1789 1 1 8 CYS N N -2.838 -3.478 0.924 1.00 . A A . 8 CYS N 1 1 6 1790 1 1 8 CYS O O -3.066 -6.033 2.199 1.00 . A A . 8 CYS O 1 1 6 1791 1 1 8 CYS SG S -1.996 -2.871 4.846 1.00 . A A . 8 CYS SG 1 1 6 1792 1 1 9 PRO C C -1.627 -7.786 4.198 1.00 . A A . 9 PRO C 1 1 6 1793 1 1 9 PRO CA C -0.715 -7.232 3.108 1.00 . A A . 9 PRO CA 1 1 6 1794 1 1 9 PRO CB C 0.753 -7.315 3.547 1.00 . A A . 9 PRO CB 1 1 6 1795 1 1 9 PRO CD C 0.283 -5.008 3.152 1.00 . A A . 9 PRO CD 1 1 6 1796 1 1 9 PRO CG C 1.101 -5.939 4.000 1.00 . A A . 9 PRO CG 1 1 6 1797 1 1 9 PRO HA H -0.852 -7.808 2.204 1.00 . A A . 9 PRO HA 1 1 6 1798 1 1 9 PRO HB2 H 0.851 -8.031 4.349 1.00 . A A . 9 PRO HB2 1 1 6 1799 1 1 9 PRO HB3 H 1.364 -7.619 2.711 1.00 . A A . 9 PRO HB3 1 1 6 1800 1 1 9 PRO HD2 H 0.038 -4.114 3.703 1.00 . A A . 9 PRO HD2 1 1 6 1801 1 1 9 PRO HD3 H 0.810 -4.763 2.242 1.00 . A A . 9 PRO HD3 1 1 6 1802 1 1 9 PRO HG2 H 0.845 -5.820 5.043 1.00 . A A . 9 PRO HG2 1 1 6 1803 1 1 9 PRO HG3 H 2.154 -5.757 3.848 1.00 . A A . 9 PRO HG3 1 1 6 1804 1 1 9 PRO N N -0.927 -5.800 2.863 1.00 . A A . 9 PRO N 1 1 6 1805 1 1 9 PRO O O -1.795 -9.000 4.318 1.00 . A A . 9 PRO O 1 1 6 1806 1 1 10 CYS C C -4.258 -8.155 5.541 1.00 . A A . 10 CYS C 1 1 6 1807 1 1 10 CYS CA C -3.104 -7.310 6.074 1.00 . A A . 10 CYS CA 1 1 6 1808 1 1 10 CYS CB C -3.649 -6.085 6.814 1.00 . A A . 10 CYS CB 1 1 6 1809 1 1 10 CYS H H -2.040 -5.942 4.856 1.00 . A A . 10 CYS H 1 1 6 1810 1 1 10 CYS HA H -2.528 -7.908 6.765 1.00 . A A . 10 CYS HA 1 1 6 1811 1 1 10 CYS HB2 H -4.228 -6.416 7.663 1.00 . A A . 10 CYS HB2 1 1 6 1812 1 1 10 CYS HB3 H -2.819 -5.488 7.163 1.00 . A A . 10 CYS HB3 1 1 6 1813 1 1 10 CYS N N -2.212 -6.897 4.996 1.00 . A A . 10 CYS N 1 1 6 1814 1 1 10 CYS O O -4.820 -8.979 6.262 1.00 . A A . 10 CYS O 1 1 6 1815 1 1 10 CYS SG S -4.710 -5.023 5.808 1.00 . A A . 10 CYS SG 1 1 6 1816 1 1 11 GLY C C -7.041 -8.066 3.896 1.00 . A A . 11 GLY C 1 1 6 1817 1 1 11 GLY CA C -5.686 -8.706 3.667 1.00 . A A . 11 GLY CA 1 1 6 1818 1 1 11 GLY H H -4.119 -7.283 3.744 1.00 . A A . 11 GLY H 1 1 6 1819 1 1 11 GLY HA2 H -5.510 -8.778 2.604 1.00 . A A . 11 GLY HA2 1 1 6 1820 1 1 11 GLY HA3 H -5.694 -9.701 4.088 1.00 . A A . 11 GLY HA3 1 1 6 1821 1 1 11 GLY N N -4.603 -7.951 4.272 1.00 . A A . 11 GLY N 1 1 6 1822 1 1 11 GLY O O -8.062 -8.754 3.940 1.00 . A A . 11 GLY O 1 1 6 1823 1 1 12 SER C C -8.916 -5.577 2.946 1.00 . A A . 12 SER C 1 1 6 1824 1 1 12 SER CA C -8.293 -6.012 4.268 1.00 . A A . 12 SER CA 1 1 6 1825 1 1 12 SER CB C -8.032 -4.788 5.149 1.00 . A A . 12 SER CB 1 1 6 1826 1 1 12 SER H H -6.208 -6.253 3.997 1.00 . A A . 12 SER H 1 1 6 1827 1 1 12 SER HA H -8.980 -6.670 4.778 1.00 . A A . 12 SER HA 1 1 6 1828 1 1 12 SER HB2 H -7.111 -4.315 4.841 1.00 . A A . 12 SER HB2 1 1 6 1829 1 1 12 SER HB3 H -8.849 -4.090 5.040 1.00 . A A . 12 SER HB3 1 1 6 1830 1 1 12 SER HG H -7.576 -4.414 7.017 1.00 . A A . 12 SER HG 1 1 6 1831 1 1 12 SER N N -7.053 -6.746 4.043 1.00 . A A . 12 SER N 1 1 6 1832 1 1 12 SER O O -10.134 -5.636 2.772 1.00 . A A . 12 SER O 1 1 6 1833 1 1 12 SER OG O -7.923 -5.155 6.513 1.00 . A A . 12 SER OG 1 1 6 1834 1 1 13 GLY C C -8.005 -3.335 0.339 1.00 . A A . 13 GLY C 1 1 6 1835 1 1 13 GLY CA C -8.556 -4.693 0.724 1.00 . A A . 13 GLY CA 1 1 6 1836 1 1 13 GLY H H -7.114 -5.109 2.216 1.00 . A A . 13 GLY H 1 1 6 1837 1 1 13 GLY HA2 H -8.263 -5.414 -0.024 1.00 . A A . 13 GLY HA2 1 1 6 1838 1 1 13 GLY HA3 H -9.634 -4.637 0.754 1.00 . A A . 13 GLY HA3 1 1 6 1839 1 1 13 GLY N N -8.073 -5.136 2.019 1.00 . A A . 13 GLY N 1 1 6 1840 1 1 13 GLY O O -7.871 -3.023 -0.844 1.00 . A A . 13 GLY O 1 1 6 1841 1 1 14 LYS C C -5.630 -1.250 0.911 1.00 . A A . 14 LYS C 1 1 6 1842 1 1 14 LYS CA C -7.140 -1.192 1.108 1.00 . A A . 14 LYS CA 1 1 6 1843 1 1 14 LYS CB C -7.477 -0.269 2.282 1.00 . A A . 14 LYS CB 1 1 6 1844 1 1 14 LYS CD C -9.152 0.393 4.034 1.00 . A A . 14 LYS CD 1 1 6 1845 1 1 14 LYS CE C -10.260 -0.238 4.861 1.00 . A A . 14 LYS CE 1 1 6 1846 1 1 14 LYS CG C -8.924 -0.367 2.737 1.00 . A A . 14 LYS CG 1 1 6 1847 1 1 14 LYS H H -7.811 -2.832 2.265 1.00 . A A . 14 LYS H 1 1 6 1848 1 1 14 LYS HA H -7.595 -0.800 0.211 1.00 . A A . 14 LYS HA 1 1 6 1849 1 1 14 LYS HB2 H -6.840 -0.521 3.118 1.00 . A A . 14 LYS HB2 1 1 6 1850 1 1 14 LYS HB3 H -7.283 0.752 1.989 1.00 . A A . 14 LYS HB3 1 1 6 1851 1 1 14 LYS HD2 H -8.239 0.387 4.609 1.00 . A A . 14 LYS HD2 1 1 6 1852 1 1 14 LYS HD3 H -9.426 1.411 3.798 1.00 . A A . 14 LYS HD3 1 1 6 1853 1 1 14 LYS HE2 H -10.676 0.514 5.515 1.00 . A A . 14 LYS HE2 1 1 6 1854 1 1 14 LYS HE3 H -11.029 -0.600 4.194 1.00 . A A . 14 LYS HE3 1 1 6 1855 1 1 14 LYS HG2 H -9.562 0.047 1.971 1.00 . A A . 14 LYS HG2 1 1 6 1856 1 1 14 LYS HG3 H -9.172 -1.407 2.891 1.00 . A A . 14 LYS HG3 1 1 6 1857 1 1 14 LYS HZ1 H -10.560 -1.906 6.083 1.00 . A A . 14 LYS HZ1 1 1 6 1858 1 1 14 LYS HZ2 H -9.174 -1.015 6.468 1.00 . A A . 14 LYS HZ2 1 1 6 1859 1 1 14 LYS HZ3 H -9.185 -2.012 5.102 1.00 . A A . 14 LYS HZ3 1 1 6 1860 1 1 14 LYS N N -7.682 -2.524 1.343 1.00 . A A . 14 LYS N 1 1 6 1861 1 1 14 LYS NZ N -9.760 -1.373 5.686 1.00 . A A . 14 LYS NZ 1 1 6 1862 1 1 14 LYS O O -4.953 -2.108 1.477 1.00 . A A . 14 LYS O 1 1 6 1863 1 1 15 LYS C C -2.902 0.136 1.083 1.00 . A A . 15 LYS C 1 1 6 1864 1 1 15 LYS CA C -3.672 -0.283 -0.164 1.00 . A A . 15 LYS CA 1 1 6 1865 1 1 15 LYS CB C -3.375 0.686 -1.311 1.00 . A A . 15 LYS CB 1 1 6 1866 1 1 15 LYS CD C -5.232 0.047 -2.884 1.00 . A A . 15 LYS CD 1 1 6 1867 1 1 15 LYS CE C -5.893 1.409 -2.745 1.00 . A A . 15 LYS CE 1 1 6 1868 1 1 15 LYS CG C -3.727 0.132 -2.682 1.00 . A A . 15 LYS CG 1 1 6 1869 1 1 15 LYS H H -5.694 0.326 -0.319 1.00 . A A . 15 LYS H 1 1 6 1870 1 1 15 LYS HA H -3.354 -1.272 -0.451 1.00 . A A . 15 LYS HA 1 1 6 1871 1 1 15 LYS HB2 H -3.942 1.593 -1.156 1.00 . A A . 15 LYS HB2 1 1 6 1872 1 1 15 LYS HB3 H -2.321 0.925 -1.302 1.00 . A A . 15 LYS HB3 1 1 6 1873 1 1 15 LYS HD2 H -5.430 -0.339 -3.873 1.00 . A A . 15 LYS HD2 1 1 6 1874 1 1 15 LYS HD3 H -5.646 -0.623 -2.145 1.00 . A A . 15 LYS HD3 1 1 6 1875 1 1 15 LYS HE2 H -6.372 1.465 -1.779 1.00 . A A . 15 LYS HE2 1 1 6 1876 1 1 15 LYS HE3 H -5.132 2.173 -2.813 1.00 . A A . 15 LYS HE3 1 1 6 1877 1 1 15 LYS HG2 H -3.309 0.779 -3.439 1.00 . A A . 15 LYS HG2 1 1 6 1878 1 1 15 LYS HG3 H -3.302 -0.857 -2.779 1.00 . A A . 15 LYS HG3 1 1 6 1879 1 1 15 LYS HZ1 H -6.994 2.661 -4.003 1.00 . A A . 15 LYS HZ1 1 1 6 1880 1 1 15 LYS HZ2 H -7.838 1.285 -3.497 1.00 . A A . 15 LYS HZ2 1 1 6 1881 1 1 15 LYS HZ3 H -6.636 1.153 -4.680 1.00 . A A . 15 LYS HZ3 1 1 6 1882 1 1 15 LYS N N -5.105 -0.332 0.105 1.00 . A A . 15 LYS N 1 1 6 1883 1 1 15 LYS NZ N -6.912 1.644 -3.805 1.00 . A A . 15 LYS NZ 1 1 6 1884 1 1 15 LYS O O -3.486 0.623 2.052 1.00 . A A . 15 LYS O 1 1 6 1885 1 1 16 TYR C C -1.006 1.721 2.659 1.00 . A A . 16 TYR C 1 1 6 1886 1 1 16 TYR CA C -0.733 0.295 2.184 1.00 . A A . 16 TYR CA 1 1 6 1887 1 1 16 TYR CB C 0.737 0.147 1.786 1.00 . A A . 16 TYR CB 1 1 6 1888 1 1 16 TYR CD1 C 1.120 -1.472 3.698 1.00 . A A . 16 TYR CD1 1 1 6 1889 1 1 16 TYR CD2 C 2.939 -0.099 2.995 1.00 . A A . 16 TYR CD2 1 1 6 1890 1 1 16 TYR CE1 C 1.922 -2.045 4.666 1.00 . A A . 16 TYR CE1 1 1 6 1891 1 1 16 TYR CE2 C 3.747 -0.670 3.960 1.00 . A A . 16 TYR CE2 1 1 6 1892 1 1 16 TYR CG C 1.613 -0.489 2.847 1.00 . A A . 16 TYR CG 1 1 6 1893 1 1 16 TYR CZ C 3.233 -1.641 4.794 1.00 . A A . 16 TYR CZ 1 1 6 1894 1 1 16 TYR H H -1.180 -0.454 0.254 1.00 . A A . 16 TYR H 1 1 6 1895 1 1 16 TYR HA H -0.952 -0.386 2.989 1.00 . A A . 16 TYR HA 1 1 6 1896 1 1 16 TYR HB2 H 0.802 -0.464 0.899 1.00 . A A . 16 TYR HB2 1 1 6 1897 1 1 16 TYR HB3 H 1.139 1.125 1.570 1.00 . A A . 16 TYR HB3 1 1 6 1898 1 1 16 TYR HD1 H 0.093 -1.789 3.596 1.00 . A A . 16 TYR HD1 1 1 6 1899 1 1 16 TYR HD2 H 3.340 0.660 2.337 1.00 . A A . 16 TYR HD2 1 1 6 1900 1 1 16 TYR HE1 H 1.520 -2.807 5.317 1.00 . A A . 16 TYR HE1 1 1 6 1901 1 1 16 TYR HE2 H 4.774 -0.352 4.060 1.00 . A A . 16 TYR HE2 1 1 6 1902 1 1 16 TYR HH H 3.582 -2.189 6.603 1.00 . A A . 16 TYR HH 1 1 6 1903 1 1 16 TYR N N -1.588 -0.059 1.055 1.00 . A A . 16 TYR N 1 1 6 1904 1 1 16 TYR O O -1.451 1.932 3.788 1.00 . A A . 16 TYR O 1 1 6 1905 1 1 16 TYR OH O 4.035 -2.209 5.757 1.00 . A A . 16 TYR OH 1 1 6 1906 1 1 17 LYS C C -2.374 4.326 2.650 1.00 . A A . 17 LYS C 1 1 6 1907 1 1 17 LYS CA C -0.956 4.102 2.133 1.00 . A A . 17 LYS CA 1 1 6 1908 1 1 17 LYS CB C -0.710 4.990 0.911 1.00 . A A . 17 LYS CB 1 1 6 1909 1 1 17 LYS CD C -1.624 5.763 -1.298 1.00 . A A . 17 LYS CD 1 1 6 1910 1 1 17 LYS CE C -2.482 6.915 -0.800 1.00 . A A . 17 LYS CE 1 1 6 1911 1 1 17 LYS CG C -1.573 4.630 -0.286 1.00 . A A . 17 LYS CG 1 1 6 1912 1 1 17 LYS H H -0.385 2.468 0.910 1.00 . A A . 17 LYS H 1 1 6 1913 1 1 17 LYS HA H -0.256 4.369 2.909 1.00 . A A . 17 LYS HA 1 1 6 1914 1 1 17 LYS HB2 H -0.917 6.016 1.181 1.00 . A A . 17 LYS HB2 1 1 6 1915 1 1 17 LYS HB3 H 0.326 4.907 0.621 1.00 . A A . 17 LYS HB3 1 1 6 1916 1 1 17 LYS HD2 H -0.620 6.123 -1.472 1.00 . A A . 17 LYS HD2 1 1 6 1917 1 1 17 LYS HD3 H -2.040 5.389 -2.223 1.00 . A A . 17 LYS HD3 1 1 6 1918 1 1 17 LYS HE2 H -2.542 6.862 0.276 1.00 . A A . 17 LYS HE2 1 1 6 1919 1 1 17 LYS HE3 H -2.014 7.845 -1.089 1.00 . A A . 17 LYS HE3 1 1 6 1920 1 1 17 LYS HG2 H -1.161 3.753 -0.763 1.00 . A A . 17 LYS HG2 1 1 6 1921 1 1 17 LYS HG3 H -2.576 4.418 0.055 1.00 . A A . 17 LYS HG3 1 1 6 1922 1 1 17 LYS HZ1 H -4.247 7.830 -1.438 1.00 . A A . 17 LYS HZ1 1 1 6 1923 1 1 17 LYS HZ2 H -4.477 6.301 -0.752 1.00 . A A . 17 LYS HZ2 1 1 6 1924 1 1 17 LYS HZ3 H -3.840 6.439 -2.313 1.00 . A A . 17 LYS HZ3 1 1 6 1925 1 1 17 LYS N N -0.738 2.697 1.795 1.00 . A A . 17 LYS N 1 1 6 1926 1 1 17 LYS NZ N -3.858 6.868 -1.366 1.00 . A A . 17 LYS NZ 1 1 6 1927 1 1 17 LYS O O -2.615 5.210 3.472 1.00 . A A . 17 LYS O 1 1 6 1928 1 1 18 GLN C C -5.007 2.751 3.772 1.00 . A A . 18 GLN C 1 1 6 1929 1 1 18 GLN CA C -4.704 3.628 2.561 1.00 . A A . 18 GLN CA 1 1 6 1930 1 1 18 GLN CB C -5.614 3.219 1.403 1.00 . A A . 18 GLN CB 1 1 6 1931 1 1 18 GLN CD C -8.052 3.505 0.805 1.00 . A A . 18 GLN CD 1 1 6 1932 1 1 18 GLN CG C -6.746 4.198 1.143 1.00 . A A . 18 GLN CG 1 1 6 1933 1 1 18 GLN H H -3.051 2.838 1.503 1.00 . A A . 18 GLN H 1 1 6 1934 1 1 18 GLN HA H -4.900 4.658 2.816 1.00 . A A . 18 GLN HA 1 1 6 1935 1 1 18 GLN HB2 H -5.020 3.141 0.505 1.00 . A A . 18 GLN HB2 1 1 6 1936 1 1 18 GLN HB3 H -6.045 2.251 1.626 1.00 . A A . 18 GLN HB3 1 1 6 1937 1 1 18 GLN HE21 H -7.977 4.213 -1.052 1.00 . A A . 18 GLN HE21 1 1 6 1938 1 1 18 GLN HE22 H -9.345 3.227 -0.678 1.00 . A A . 18 GLN HE22 1 1 6 1939 1 1 18 GLN HG2 H -6.895 4.801 2.026 1.00 . A A . 18 GLN HG2 1 1 6 1940 1 1 18 GLN HG3 H -6.470 4.836 0.316 1.00 . A A . 18 GLN HG3 1 1 6 1941 1 1 18 GLN N N -3.308 3.521 2.158 1.00 . A A . 18 GLN N 1 1 6 1942 1 1 18 GLN NE2 N -8.503 3.663 -0.433 1.00 . A A . 18 GLN NE2 1 1 6 1943 1 1 18 GLN O O -6.168 2.580 4.143 1.00 . A A . 18 GLN O 1 1 6 1944 1 1 18 GLN OE1 O -8.647 2.832 1.648 1.00 . A A . 18 GLN OE1 1 1 6 1945 1 1 19 CYS C C -2.963 1.361 6.483 1.00 . A A . 19 CYS C 1 1 6 1946 1 1 19 CYS CA C -4.168 1.314 5.530 1.00 . A A . 19 CYS CA 1 1 6 1947 1 1 19 CYS CB C -4.454 -0.108 5.039 1.00 . A A . 19 CYS CB 1 1 6 1948 1 1 19 CYS H H -3.065 2.336 4.041 1.00 . A A . 19 CYS H 1 1 6 1949 1 1 19 CYS HA H -5.036 1.676 6.061 1.00 . A A . 19 CYS HA 1 1 6 1950 1 1 19 CYS HB2 H -5.132 -0.055 4.196 1.00 . A A . 19 CYS HB2 1 1 6 1951 1 1 19 CYS HB3 H -3.531 -0.566 4.719 1.00 . A A . 19 CYS HB3 1 1 6 1952 1 1 19 CYS N N -3.971 2.182 4.378 1.00 . A A . 19 CYS N 1 1 6 1953 1 1 19 CYS O O -2.633 2.424 7.009 1.00 . A A . 19 CYS O 1 1 6 1954 1 1 19 CYS SG S -5.208 -1.184 6.282 1.00 . A A . 19 CYS SG 1 1 6 1955 1 1 20 HIS C C 0.019 0.941 7.069 1.00 . A A . 20 HIS C 1 1 6 1956 1 1 20 HIS CA C -1.170 0.160 7.622 1.00 . A A . 20 HIS CA 1 1 6 1957 1 1 20 HIS CB C -0.766 -1.294 7.871 1.00 . A A . 20 HIS CB 1 1 6 1958 1 1 20 HIS CD2 C -2.007 -1.922 10.045 1.00 . A A . 20 HIS CD2 1 1 6 1959 1 1 20 HIS CE1 C -3.271 -3.481 9.199 1.00 . A A . 20 HIS CE1 1 1 6 1960 1 1 20 HIS CG C -1.741 -2.047 8.721 1.00 . A A . 20 HIS CG 1 1 6 1961 1 1 20 HIS H H -2.618 -0.606 6.288 1.00 . A A . 20 HIS H 1 1 6 1962 1 1 20 HIS HA H -1.469 0.604 8.559 1.00 . A A . 20 HIS HA 1 1 6 1963 1 1 20 HIS HB2 H -0.687 -1.806 6.924 1.00 . A A . 20 HIS HB2 1 1 6 1964 1 1 20 HIS HB3 H 0.194 -1.313 8.367 1.00 . A A . 20 HIS HB3 1 1 6 1965 1 1 20 HIS HD2 H -1.542 -1.235 10.736 1.00 . A A . 20 HIS HD2 1 1 6 1966 1 1 20 HIS HE1 H -4.007 -4.266 9.111 1.00 . A A . 20 HIS HE1 1 1 6 1967 1 1 20 HIS HE2 H -3.506 -2.873 11.169 1.00 . A A . 20 HIS HE2 1 1 6 1968 1 1 20 HIS N N -2.317 0.217 6.719 1.00 . A A . 20 HIS N 1 1 6 1969 1 1 20 HIS ND1 N -2.542 -3.031 8.195 1.00 . A A . 20 HIS ND1 1 1 6 1970 1 1 20 HIS NE2 N -2.982 -2.840 10.341 1.00 . A A . 20 HIS NE2 1 1 6 1971 1 1 20 HIS O O 0.859 1.426 7.830 1.00 . A A . 20 HIS O 1 1 6 1972 1 1 21 GLY C C 1.408 3.155 5.734 1.00 . A A . 21 GLY C 1 1 6 1973 1 1 21 GLY CA C 1.190 1.780 5.127 1.00 . A A . 21 GLY CA 1 1 6 1974 1 1 21 GLY H H -0.602 0.651 5.189 1.00 . A A . 21 GLY H 1 1 6 1975 1 1 21 GLY HA2 H 2.095 1.203 5.242 1.00 . A A . 21 GLY HA2 1 1 6 1976 1 1 21 GLY HA3 H 0.983 1.894 4.073 1.00 . A A . 21 GLY HA3 1 1 6 1977 1 1 21 GLY N N 0.092 1.059 5.747 1.00 . A A . 21 GLY N 1 1 6 1978 1 1 21 GLY O O 2.516 3.689 5.695 1.00 . A A . 21 GLY O 1 1 6 1979 1 1 22 ARG C C 1.367 5.026 8.116 1.00 . A A . 22 ARG C 1 1 6 1980 1 1 22 ARG CA C 0.431 5.047 6.911 1.00 . A A . 22 ARG CA 1 1 6 1981 1 1 22 ARG CB C -0.959 5.523 7.339 1.00 . A A . 22 ARG CB 1 1 6 1982 1 1 22 ARG CD C -0.573 7.533 8.799 1.00 . A A . 22 ARG CD 1 1 6 1983 1 1 22 ARG CG C -1.076 7.034 7.454 1.00 . A A . 22 ARG CG 1 1 6 1984 1 1 22 ARG CZ C -1.551 8.099 10.989 1.00 . A A . 22 ARG CZ 1 1 6 1985 1 1 22 ARG H H -0.509 3.253 6.294 1.00 . A A . 22 ARG H 1 1 6 1986 1 1 22 ARG HA H 0.826 5.732 6.177 1.00 . A A . 22 ARG HA 1 1 6 1987 1 1 22 ARG HB2 H -1.682 5.181 6.614 1.00 . A A . 22 ARG HB2 1 1 6 1988 1 1 22 ARG HB3 H -1.194 5.090 8.300 1.00 . A A . 22 ARG HB3 1 1 6 1989 1 1 22 ARG HD2 H -0.025 6.738 9.283 1.00 . A A . 22 ARG HD2 1 1 6 1990 1 1 22 ARG HD3 H 0.086 8.373 8.633 1.00 . A A . 22 ARG HD3 1 1 6 1991 1 1 22 ARG HE H -2.534 8.137 9.253 1.00 . A A . 22 ARG HE 1 1 6 1992 1 1 22 ARG HG2 H -0.491 7.491 6.671 1.00 . A A . 22 ARG HG2 1 1 6 1993 1 1 22 ARG HG3 H -2.113 7.314 7.341 1.00 . A A . 22 ARG HG3 1 1 6 1994 1 1 22 ARG HH11 H 0.399 7.567 11.055 1.00 . A A . 22 ARG HH11 1 1 6 1995 1 1 22 ARG HH12 H -0.312 7.969 12.581 1.00 . A A . 22 ARG HH12 1 1 6 1996 1 1 22 ARG HH21 H -3.471 8.668 11.260 1.00 . A A . 22 ARG HH21 1 1 6 1997 1 1 22 ARG HH22 H -2.509 8.595 12.699 1.00 . A A . 22 ARG HH22 1 1 6 1998 1 1 22 ARG N N 0.348 3.728 6.294 1.00 . A A . 22 ARG N 1 1 6 1999 1 1 22 ARG NE N -1.667 7.953 9.671 1.00 . A A . 22 ARG NE 1 1 6 2000 1 1 22 ARG NH1 N -0.392 7.858 11.591 1.00 . A A . 22 ARG NH1 1 1 6 2001 1 1 22 ARG NH2 N -2.596 8.485 11.708 1.00 . A A . 22 ARG NH2 1 1 6 2002 1 1 22 ARG O O 2.286 5.870 8.165 1.00 . A A . 22 ARG O 1 1 6 2003 1 1 22 ARG OXT O 1.171 4.166 9.000 1.00 . A A . 22 ARG OXT 1 1 6 2004 2 2 1 ZN ZN ZN -3.705 -2.993 6.466 1.00 . B A . 23 ZN ZN 1 1 7 2005 1 1 1 LYS C C 8.515 -2.836 0.399 1.00 . A A . 1 LYS C 1 1 7 2006 1 1 1 LYS CA C 9.659 -2.320 1.264 1.00 . A A . 1 LYS CA 1 1 7 2007 1 1 1 LYS CB C 10.739 -1.682 0.387 1.00 . A A . 1 LYS CB 1 1 7 2008 1 1 1 LYS CD C 10.790 0.762 0.970 1.00 . A A . 1 LYS CD 1 1 7 2009 1 1 1 LYS CE C 11.719 1.924 1.282 1.00 . A A . 1 LYS CE 1 1 7 2010 1 1 1 LYS CG C 11.510 -0.572 1.081 1.00 . A A . 1 LYS CG 1 1 7 2011 1 1 1 LYS H1 H 10.878 -3.971 1.406 1.00 . A A . 1 LYS H1 1 1 7 2012 1 1 1 LYS H2 H 9.508 -4.004 2.437 1.00 . A A . 1 LYS H2 1 1 7 2013 1 1 1 LYS H3 H 10.841 -2.990 2.810 1.00 . A A . 1 LYS H3 1 1 7 2014 1 1 1 LYS HA H 9.276 -1.580 1.951 1.00 . A A . 1 LYS HA 1 1 7 2015 1 1 1 LYS HB2 H 11.440 -2.446 0.086 1.00 . A A . 1 LYS HB2 1 1 7 2016 1 1 1 LYS HB3 H 10.271 -1.269 -0.494 1.00 . A A . 1 LYS HB3 1 1 7 2017 1 1 1 LYS HD2 H 10.415 0.874 -0.035 1.00 . A A . 1 LYS HD2 1 1 7 2018 1 1 1 LYS HD3 H 9.966 0.774 1.668 1.00 . A A . 1 LYS HD3 1 1 7 2019 1 1 1 LYS HE2 H 12.684 1.726 0.838 1.00 . A A . 1 LYS HE2 1 1 7 2020 1 1 1 LYS HE3 H 11.304 2.825 0.854 1.00 . A A . 1 LYS HE3 1 1 7 2021 1 1 1 LYS HG2 H 11.622 -0.824 2.126 1.00 . A A . 1 LYS HG2 1 1 7 2022 1 1 1 LYS HG3 H 12.485 -0.485 0.623 1.00 . A A . 1 LYS HG3 1 1 7 2023 1 1 1 LYS HZ1 H 12.673 1.526 3.097 1.00 . A A . 1 LYS HZ1 1 1 7 2024 1 1 1 LYS HZ2 H 11.021 1.857 3.250 1.00 . A A . 1 LYS HZ2 1 1 7 2025 1 1 1 LYS HZ3 H 12.111 3.116 2.951 1.00 . A A . 1 LYS HZ3 1 1 7 2026 1 1 1 LYS N N 10.277 -3.421 2.050 1.00 . A A . 1 LYS N 1 1 7 2027 1 1 1 LYS NZ N 11.893 2.119 2.747 1.00 . A A . 1 LYS NZ 1 1 7 2028 1 1 1 LYS O O 8.737 -3.376 -0.685 1.00 . A A . 1 LYS O 1 1 7 2029 1 1 2 VAL C C 5.531 -1.994 -0.697 1.00 . A A . 2 VAL C 1 1 7 2030 1 1 2 VAL CA C 6.109 -3.115 0.158 1.00 . A A . 2 VAL CA 1 1 7 2031 1 1 2 VAL CB C 5.011 -3.617 1.118 1.00 . A A . 2 VAL CB 1 1 7 2032 1 1 2 VAL CG1 C 4.535 -2.492 2.028 1.00 . A A . 2 VAL CG1 1 1 7 2033 1 1 2 VAL CG2 C 3.846 -4.207 0.338 1.00 . A A . 2 VAL CG2 1 1 7 2034 1 1 2 VAL H H 7.178 -2.229 1.755 1.00 . A A . 2 VAL H 1 1 7 2035 1 1 2 VAL HA H 6.400 -3.933 -0.484 1.00 . A A . 2 VAL HA 1 1 7 2036 1 1 2 VAL HB H 5.433 -4.395 1.738 1.00 . A A . 2 VAL HB 1 1 7 2037 1 1 2 VAL HG11 H 3.791 -2.871 2.711 1.00 . A A . 2 VAL HG11 1 1 7 2038 1 1 2 VAL HG12 H 4.103 -1.702 1.428 1.00 . A A . 2 VAL HG12 1 1 7 2039 1 1 2 VAL HG13 H 5.373 -2.101 2.587 1.00 . A A . 2 VAL HG13 1 1 7 2040 1 1 2 VAL HG21 H 3.493 -5.098 0.837 1.00 . A A . 2 VAL HG21 1 1 7 2041 1 1 2 VAL HG22 H 4.171 -4.459 -0.660 1.00 . A A . 2 VAL HG22 1 1 7 2042 1 1 2 VAL HG23 H 3.045 -3.484 0.285 1.00 . A A . 2 VAL HG23 1 1 7 2043 1 1 2 VAL N N 7.290 -2.666 0.886 1.00 . A A . 2 VAL N 1 1 7 2044 1 1 2 VAL O O 5.541 -0.830 -0.298 1.00 . A A . 2 VAL O 1 1 7 2045 1 1 3 GLY C C 3.272 -0.641 -2.061 1.00 . A A . 3 GLY C 1 1 7 2046 1 1 3 GLY CA C 4.419 -1.360 -2.740 1.00 . A A . 3 GLY CA 1 1 7 2047 1 1 3 GLY H H 5.017 -3.296 -2.129 1.00 . A A . 3 GLY H 1 1 7 2048 1 1 3 GLY HA2 H 5.175 -0.639 -3.017 1.00 . A A . 3 GLY HA2 1 1 7 2049 1 1 3 GLY HA3 H 4.051 -1.847 -3.630 1.00 . A A . 3 GLY HA3 1 1 7 2050 1 1 3 GLY N N 5.011 -2.353 -1.866 1.00 . A A . 3 GLY N 1 1 7 2051 1 1 3 GLY O O 2.155 -1.151 -2.014 1.00 . A A . 3 GLY O 1 1 7 2052 1 1 4 ARG C C 1.255 1.441 -1.605 1.00 . A A . 4 ARG C 1 1 7 2053 1 1 4 ARG CA C 2.550 1.312 -0.803 1.00 . A A . 4 ARG CA 1 1 7 2054 1 1 4 ARG CB C 3.092 2.700 -0.472 1.00 . A A . 4 ARG CB 1 1 7 2055 1 1 4 ARG CD C 3.138 4.609 1.155 1.00 . A A . 4 ARG CD 1 1 7 2056 1 1 4 ARG CG C 2.463 3.303 0.770 1.00 . A A . 4 ARG CG 1 1 7 2057 1 1 4 ARG CZ C 3.053 6.224 3.012 1.00 . A A . 4 ARG CZ 1 1 7 2058 1 1 4 ARG H H 4.473 0.874 -1.559 1.00 . A A . 4 ARG H 1 1 7 2059 1 1 4 ARG HA H 2.333 0.800 0.119 1.00 . A A . 4 ARG HA 1 1 7 2060 1 1 4 ARG HB2 H 4.158 2.630 -0.315 1.00 . A A . 4 ARG HB2 1 1 7 2061 1 1 4 ARG HB3 H 2.899 3.360 -1.304 1.00 . A A . 4 ARG HB3 1 1 7 2062 1 1 4 ARG HD2 H 4.173 4.409 1.389 1.00 . A A . 4 ARG HD2 1 1 7 2063 1 1 4 ARG HD3 H 3.084 5.287 0.316 1.00 . A A . 4 ARG HD3 1 1 7 2064 1 1 4 ARG HE H 1.623 4.901 2.583 1.00 . A A . 4 ARG HE 1 1 7 2065 1 1 4 ARG HG2 H 1.419 3.490 0.574 1.00 . A A . 4 ARG HG2 1 1 7 2066 1 1 4 ARG HG3 H 2.560 2.601 1.587 1.00 . A A . 4 ARG HG3 1 1 7 2067 1 1 4 ARG HH11 H 4.734 6.321 1.892 1.00 . A A . 4 ARG HH11 1 1 7 2068 1 1 4 ARG HH12 H 4.652 7.447 3.205 1.00 . A A . 4 ARG HH12 1 1 7 2069 1 1 4 ARG HH21 H 1.513 6.382 4.311 1.00 . A A . 4 ARG HH21 1 1 7 2070 1 1 4 ARG HH22 H 2.823 7.481 4.579 1.00 . A A . 4 ARG HH22 1 1 7 2071 1 1 4 ARG N N 3.557 0.532 -1.508 1.00 . A A . 4 ARG N 1 1 7 2072 1 1 4 ARG NE N 2.504 5.235 2.313 1.00 . A A . 4 ARG NE 1 1 7 2073 1 1 4 ARG NH1 N 4.244 6.703 2.675 1.00 . A A . 4 ARG NH1 1 1 7 2074 1 1 4 ARG NH2 N 2.411 6.737 4.052 1.00 . A A . 4 ARG NH2 1 1 7 2075 1 1 4 ARG O O 0.176 1.595 -1.032 1.00 . A A . 4 ARG O 1 1 7 2076 1 1 5 ASN C C -0.487 0.148 -4.003 1.00 . A A . 5 ASN C 1 1 7 2077 1 1 5 ASN CA C 0.196 1.501 -3.792 1.00 . A A . 5 ASN CA 1 1 7 2078 1 1 5 ASN CB C 0.595 2.097 -5.143 1.00 . A A . 5 ASN CB 1 1 7 2079 1 1 5 ASN CG C -0.527 2.896 -5.776 1.00 . A A . 5 ASN CG 1 1 7 2080 1 1 5 ASN H H 2.249 1.263 -3.328 1.00 . A A . 5 ASN H 1 1 7 2081 1 1 5 ASN HA H -0.501 2.170 -3.308 1.00 . A A . 5 ASN HA 1 1 7 2082 1 1 5 ASN HB2 H 1.444 2.750 -5.004 1.00 . A A . 5 ASN HB2 1 1 7 2083 1 1 5 ASN HB3 H 0.868 1.297 -5.816 1.00 . A A . 5 ASN HB3 1 1 7 2084 1 1 5 ASN HD21 H -1.206 1.266 -6.689 1.00 . A A . 5 ASN HD21 1 1 7 2085 1 1 5 ASN HD22 H -2.095 2.718 -6.985 1.00 . A A . 5 ASN HD22 1 1 7 2086 1 1 5 ASN N N 1.365 1.384 -2.925 1.00 . A A . 5 ASN N 1 1 7 2087 1 1 5 ASN ND2 N -1.360 2.226 -6.563 1.00 . A A . 5 ASN ND2 1 1 7 2088 1 1 5 ASN O O -1.485 0.053 -4.714 1.00 . A A . 5 ASN O 1 1 7 2089 1 1 5 ASN OD1 O -0.643 4.103 -5.561 1.00 . A A . 5 ASN OD1 1 1 7 2090 1 1 6 ASP C C -1.323 -2.590 -2.273 1.00 . A A . 6 ASP C 1 1 7 2091 1 1 6 ASP CA C -0.493 -2.237 -3.505 1.00 . A A . 6 ASP CA 1 1 7 2092 1 1 6 ASP CB C 0.642 -3.254 -3.687 1.00 . A A . 6 ASP CB 1 1 7 2093 1 1 6 ASP CG C 0.160 -4.691 -3.647 1.00 . A A . 6 ASP CG 1 1 7 2094 1 1 6 ASP H H 0.854 -0.758 -2.830 1.00 . A A . 6 ASP H 1 1 7 2095 1 1 6 ASP HA H -1.130 -2.259 -4.375 1.00 . A A . 6 ASP HA 1 1 7 2096 1 1 6 ASP HB2 H 1.118 -3.082 -4.641 1.00 . A A . 6 ASP HB2 1 1 7 2097 1 1 6 ASP HB3 H 1.368 -3.115 -2.899 1.00 . A A . 6 ASP HB3 1 1 7 2098 1 1 6 ASP N N 0.060 -0.894 -3.383 1.00 . A A . 6 ASP N 1 1 7 2099 1 1 6 ASP O O -0.997 -2.180 -1.159 1.00 . A A . 6 ASP O 1 1 7 2100 1 1 6 ASP OD1 O 0.008 -5.237 -2.534 1.00 . A A . 6 ASP OD1 1 1 7 2101 1 1 6 ASP OD2 O -0.064 -5.273 -4.731 1.00 . A A . 6 ASP OD2 1 1 7 2102 1 1 7 PRO C C -2.505 -4.203 -0.118 1.00 . A A . 7 PRO C 1 1 7 2103 1 1 7 PRO CA C -3.285 -3.779 -1.361 1.00 . A A . 7 PRO CA 1 1 7 2104 1 1 7 PRO CB C -4.061 -4.974 -1.944 1.00 . A A . 7 PRO CB 1 1 7 2105 1 1 7 PRO CD C -2.873 -3.904 -3.734 1.00 . A A . 7 PRO CD 1 1 7 2106 1 1 7 PRO CG C -3.507 -5.199 -3.318 1.00 . A A . 7 PRO CG 1 1 7 2107 1 1 7 PRO HA H -3.978 -2.995 -1.094 1.00 . A A . 7 PRO HA 1 1 7 2108 1 1 7 PRO HB2 H -3.912 -5.841 -1.317 1.00 . A A . 7 PRO HB2 1 1 7 2109 1 1 7 PRO HB3 H -5.113 -4.734 -1.982 1.00 . A A . 7 PRO HB3 1 1 7 2110 1 1 7 PRO HD2 H -2.048 -4.081 -4.409 1.00 . A A . 7 PRO HD2 1 1 7 2111 1 1 7 PRO HD3 H -3.604 -3.251 -4.186 1.00 . A A . 7 PRO HD3 1 1 7 2112 1 1 7 PRO HG2 H -2.766 -5.985 -3.289 1.00 . A A . 7 PRO HG2 1 1 7 2113 1 1 7 PRO HG3 H -4.305 -5.460 -3.997 1.00 . A A . 7 PRO HG3 1 1 7 2114 1 1 7 PRO N N -2.408 -3.364 -2.455 1.00 . A A . 7 PRO N 1 1 7 2115 1 1 7 PRO O O -1.709 -5.141 -0.163 1.00 . A A . 7 PRO O 1 1 7 2116 1 1 8 CYS C C -1.909 -5.284 2.486 1.00 . A A . 8 CYS C 1 1 7 2117 1 1 8 CYS CA C -2.069 -3.778 2.258 1.00 . A A . 8 CYS CA 1 1 7 2118 1 1 8 CYS CB C -2.863 -3.160 3.411 1.00 . A A . 8 CYS CB 1 1 7 2119 1 1 8 CYS H H -3.384 -2.758 0.947 1.00 . A A . 8 CYS H 1 1 7 2120 1 1 8 CYS HA H -1.092 -3.323 2.222 1.00 . A A . 8 CYS HA 1 1 7 2121 1 1 8 CYS HB2 H -3.254 -2.204 3.097 1.00 . A A . 8 CYS HB2 1 1 7 2122 1 1 8 CYS HB3 H -3.684 -3.813 3.663 1.00 . A A . 8 CYS HB3 1 1 7 2123 1 1 8 CYS N N -2.741 -3.495 0.987 1.00 . A A . 8 CYS N 1 1 7 2124 1 1 8 CYS O O -2.844 -6.053 2.265 1.00 . A A . 8 CYS O 1 1 7 2125 1 1 8 CYS SG S -1.897 -2.883 4.915 1.00 . A A . 8 CYS SG 1 1 7 2126 1 1 9 PRO C C -1.417 -7.761 4.183 1.00 . A A . 9 PRO C 1 1 7 2127 1 1 9 PRO CA C -0.443 -7.144 3.183 1.00 . A A . 9 PRO CA 1 1 7 2128 1 1 9 PRO CB C 0.984 -7.152 3.750 1.00 . A A . 9 PRO CB 1 1 7 2129 1 1 9 PRO CD C 0.455 -4.884 3.219 1.00 . A A . 9 PRO CD 1 1 7 2130 1 1 9 PRO CG C 1.258 -5.742 4.151 1.00 . A A . 9 PRO CG 1 1 7 2131 1 1 9 PRO HA H -0.468 -7.715 2.266 1.00 . A A . 9 PRO HA 1 1 7 2132 1 1 9 PRO HB2 H 1.032 -7.818 4.598 1.00 . A A . 9 PRO HB2 1 1 7 2133 1 1 9 PRO HB3 H 1.673 -7.485 2.987 1.00 . A A . 9 PRO HB3 1 1 7 2134 1 1 9 PRO HD2 H 0.164 -3.966 3.707 1.00 . A A . 9 PRO HD2 1 1 7 2135 1 1 9 PRO HD3 H 1.012 -4.676 2.319 1.00 . A A . 9 PRO HD3 1 1 7 2136 1 1 9 PRO HG2 H 0.946 -5.584 5.172 1.00 . A A . 9 PRO HG2 1 1 7 2137 1 1 9 PRO HG3 H 2.312 -5.528 4.044 1.00 . A A . 9 PRO HG3 1 1 7 2138 1 1 9 PRO N N -0.717 -5.724 2.930 1.00 . A A . 9 PRO N 1 1 7 2139 1 1 9 PRO O O -1.586 -8.980 4.224 1.00 . A A . 9 PRO O 1 1 7 2140 1 1 10 CYS C C -4.150 -8.164 5.322 1.00 . A A . 10 CYS C 1 1 7 2141 1 1 10 CYS CA C -3.012 -7.390 5.983 1.00 . A A . 10 CYS CA 1 1 7 2142 1 1 10 CYS CB C -3.573 -6.215 6.787 1.00 . A A . 10 CYS CB 1 1 7 2143 1 1 10 CYS H H -1.883 -5.955 4.909 1.00 . A A . 10 CYS H 1 1 7 2144 1 1 10 CYS HA H -2.486 -8.053 6.653 1.00 . A A . 10 CYS HA 1 1 7 2145 1 1 10 CYS HB2 H -4.178 -6.599 7.594 1.00 . A A . 10 CYS HB2 1 1 7 2146 1 1 10 CYS HB3 H -2.751 -5.648 7.200 1.00 . A A . 10 CYS HB3 1 1 7 2147 1 1 10 CYS N N -2.057 -6.917 4.987 1.00 . A A . 10 CYS N 1 1 7 2148 1 1 10 CYS O O -4.743 -9.055 5.931 1.00 . A A . 10 CYS O 1 1 7 2149 1 1 10 CYS SG S -4.598 -5.077 5.826 1.00 . A A . 10 CYS SG 1 1 7 2150 1 1 11 GLY C C -6.884 -7.948 3.685 1.00 . A A . 11 GLY C 1 1 7 2151 1 1 11 GLY CA C -5.510 -8.496 3.349 1.00 . A A . 11 GLY CA 1 1 7 2152 1 1 11 GLY H H -3.940 -7.105 3.636 1.00 . A A . 11 GLY H 1 1 7 2153 1 1 11 GLY HA2 H -5.339 -8.380 2.289 1.00 . A A . 11 GLY HA2 1 1 7 2154 1 1 11 GLY HA3 H -5.485 -9.548 3.593 1.00 . A A . 11 GLY HA3 1 1 7 2155 1 1 11 GLY N N -4.447 -7.821 4.072 1.00 . A A . 11 GLY N 1 1 7 2156 1 1 11 GLY O O -7.865 -8.690 3.710 1.00 . A A . 11 GLY O 1 1 7 2157 1 1 12 SER C C -8.919 -5.494 3.021 1.00 . A A . 12 SER C 1 1 7 2158 1 1 12 SER CA C -8.218 -6.000 4.277 1.00 . A A . 12 SER CA 1 1 7 2159 1 1 12 SER CB C -7.983 -4.842 5.247 1.00 . A A . 12 SER CB 1 1 7 2160 1 1 12 SER H H -6.137 -6.107 3.906 1.00 . A A . 12 SER H 1 1 7 2161 1 1 12 SER HA H -8.848 -6.735 4.755 1.00 . A A . 12 SER HA 1 1 7 2162 1 1 12 SER HB2 H -7.265 -5.141 5.995 1.00 . A A . 12 SER HB2 1 1 7 2163 1 1 12 SER HB3 H -7.602 -3.990 4.702 1.00 . A A . 12 SER HB3 1 1 7 2164 1 1 12 SER HG H -8.999 -4.243 6.811 1.00 . A A . 12 SER HG 1 1 7 2165 1 1 12 SER N N -6.953 -6.647 3.943 1.00 . A A . 12 SER N 1 1 7 2166 1 1 12 SER O O -10.143 -5.564 2.912 1.00 . A A . 12 SER O 1 1 7 2167 1 1 12 SER OG O -9.186 -4.467 5.897 1.00 . A A . 12 SER OG 1 1 7 2168 1 1 13 GLY C C -8.145 -3.109 0.473 1.00 . A A . 13 GLY C 1 1 7 2169 1 1 13 GLY CA C -8.698 -4.472 0.842 1.00 . A A . 13 GLY CA 1 1 7 2170 1 1 13 GLY H H -7.166 -4.953 2.221 1.00 . A A . 13 GLY H 1 1 7 2171 1 1 13 GLY HA2 H -8.477 -5.165 0.044 1.00 . A A . 13 GLY HA2 1 1 7 2172 1 1 13 GLY HA3 H -9.770 -4.395 0.951 1.00 . A A . 13 GLY HA3 1 1 7 2173 1 1 13 GLY N N -8.135 -4.983 2.077 1.00 . A A . 13 GLY N 1 1 7 2174 1 1 13 GLY O O -8.086 -2.752 -0.705 1.00 . A A . 13 GLY O 1 1 7 2175 1 1 14 LYS C C -5.677 -1.077 1.054 1.00 . A A . 14 LYS C 1 1 7 2176 1 1 14 LYS CA C -7.187 -1.014 1.258 1.00 . A A . 14 LYS CA 1 1 7 2177 1 1 14 LYS CB C -7.511 -0.100 2.443 1.00 . A A . 14 LYS CB 1 1 7 2178 1 1 14 LYS CD C -8.935 1.968 2.295 1.00 . A A . 14 LYS CD 1 1 7 2179 1 1 14 LYS CE C -10.329 2.498 1.993 1.00 . A A . 14 LYS CE 1 1 7 2180 1 1 14 LYS CG C -8.927 0.453 2.415 1.00 . A A . 14 LYS CG 1 1 7 2181 1 1 14 LYS H H -7.811 -2.685 2.397 1.00 . A A . 14 LYS H 1 1 7 2182 1 1 14 LYS HA H -7.644 -0.610 0.367 1.00 . A A . 14 LYS HA 1 1 7 2183 1 1 14 LYS HB2 H -7.383 -0.659 3.358 1.00 . A A . 14 LYS HB2 1 1 7 2184 1 1 14 LYS HB3 H -6.821 0.730 2.441 1.00 . A A . 14 LYS HB3 1 1 7 2185 1 1 14 LYS HD2 H -8.593 2.396 3.226 1.00 . A A . 14 LYS HD2 1 1 7 2186 1 1 14 LYS HD3 H -8.268 2.260 1.497 1.00 . A A . 14 LYS HD3 1 1 7 2187 1 1 14 LYS HE2 H -10.410 2.675 0.931 1.00 . A A . 14 LYS HE2 1 1 7 2188 1 1 14 LYS HE3 H -11.054 1.755 2.291 1.00 . A A . 14 LYS HE3 1 1 7 2189 1 1 14 LYS HG2 H -9.451 0.033 1.569 1.00 . A A . 14 LYS HG2 1 1 7 2190 1 1 14 LYS HG3 H -9.432 0.170 3.328 1.00 . A A . 14 LYS HG3 1 1 7 2191 1 1 14 LYS HZ1 H -11.624 3.841 2.933 1.00 . A A . 14 LYS HZ1 1 1 7 2192 1 1 14 LYS HZ2 H -10.330 4.582 2.135 1.00 . A A . 14 LYS HZ2 1 1 7 2193 1 1 14 LYS HZ3 H -10.075 3.796 3.610 1.00 . A A . 14 LYS HZ3 1 1 7 2194 1 1 14 LYS N N -7.738 -2.345 1.481 1.00 . A A . 14 LYS N 1 1 7 2195 1 1 14 LYS NZ N -10.609 3.767 2.718 1.00 . A A . 14 LYS NZ 1 1 7 2196 1 1 14 LYS O O -4.983 -1.837 1.728 1.00 . A A . 14 LYS O 1 1 7 2197 1 1 15 LYS C C -2.957 0.169 1.077 1.00 . A A . 15 LYS C 1 1 7 2198 1 1 15 LYS CA C -3.744 -0.241 -0.162 1.00 . A A . 15 LYS CA 1 1 7 2199 1 1 15 LYS CB C -3.448 0.723 -1.314 1.00 . A A . 15 LYS CB 1 1 7 2200 1 1 15 LYS CD C -5.006 1.503 -3.130 1.00 . A A . 15 LYS CD 1 1 7 2201 1 1 15 LYS CE C -6.473 1.306 -2.784 1.00 . A A . 15 LYS CE 1 1 7 2202 1 1 15 LYS CG C -4.153 0.356 -2.610 1.00 . A A . 15 LYS CG 1 1 7 2203 1 1 15 LYS H H -5.776 0.313 -0.382 1.00 . A A . 15 LYS H 1 1 7 2204 1 1 15 LYS HA H -3.442 -1.236 -0.451 1.00 . A A . 15 LYS HA 1 1 7 2205 1 1 15 LYS HB2 H -3.761 1.716 -1.025 1.00 . A A . 15 LYS HB2 1 1 7 2206 1 1 15 LYS HB3 H -2.383 0.731 -1.497 1.00 . A A . 15 LYS HB3 1 1 7 2207 1 1 15 LYS HD2 H -4.663 2.425 -2.684 1.00 . A A . 15 LYS HD2 1 1 7 2208 1 1 15 LYS HD3 H -4.901 1.559 -4.203 1.00 . A A . 15 LYS HD3 1 1 7 2209 1 1 15 LYS HE2 H -6.683 0.248 -2.751 1.00 . A A . 15 LYS HE2 1 1 7 2210 1 1 15 LYS HE3 H -6.662 1.740 -1.812 1.00 . A A . 15 LYS HE3 1 1 7 2211 1 1 15 LYS HG2 H -3.409 0.110 -3.354 1.00 . A A . 15 LYS HG2 1 1 7 2212 1 1 15 LYS HG3 H -4.785 -0.501 -2.434 1.00 . A A . 15 LYS HG3 1 1 7 2213 1 1 15 LYS HZ1 H -7.697 1.241 -4.475 1.00 . A A . 15 LYS HZ1 1 1 7 2214 1 1 15 LYS HZ2 H -6.866 2.702 -4.286 1.00 . A A . 15 LYS HZ2 1 1 7 2215 1 1 15 LYS HZ3 H -8.201 2.356 -3.308 1.00 . A A . 15 LYS HZ3 1 1 7 2216 1 1 15 LYS N N -5.173 -0.273 0.122 1.00 . A A . 15 LYS N 1 1 7 2217 1 1 15 LYS NZ N -7.372 1.946 -3.784 1.00 . A A . 15 LYS NZ 1 1 7 2218 1 1 15 LYS O O -3.527 0.669 2.046 1.00 . A A . 15 LYS O 1 1 7 2219 1 1 16 TYR C C -1.048 1.716 2.656 1.00 . A A . 16 TYR C 1 1 7 2220 1 1 16 TYR CA C -0.779 0.295 2.162 1.00 . A A . 16 TYR CA 1 1 7 2221 1 1 16 TYR CB C 0.686 0.157 1.746 1.00 . A A . 16 TYR CB 1 1 7 2222 1 1 16 TYR CD1 C 1.165 -1.338 3.732 1.00 . A A . 16 TYR CD1 1 1 7 2223 1 1 16 TYR CD2 C 2.896 0.110 2.960 1.00 . A A . 16 TYR CD2 1 1 7 2224 1 1 16 TYR CE1 C 1.999 -1.813 4.725 1.00 . A A . 16 TYR CE1 1 1 7 2225 1 1 16 TYR CE2 C 3.736 -0.361 3.951 1.00 . A A . 16 TYR CE2 1 1 7 2226 1 1 16 TYR CG C 1.597 -0.369 2.833 1.00 . A A . 16 TYR CG 1 1 7 2227 1 1 16 TYR CZ C 3.283 -1.322 4.831 1.00 . A A . 16 TYR CZ 1 1 7 2228 1 1 16 TYR H H -1.253 -0.454 0.239 1.00 . A A . 16 TYR H 1 1 7 2229 1 1 16 TYR HA H -0.984 -0.396 2.963 1.00 . A A . 16 TYR HA 1 1 7 2230 1 1 16 TYR HB2 H 0.751 -0.519 0.907 1.00 . A A . 16 TYR HB2 1 1 7 2231 1 1 16 TYR HB3 H 1.054 1.127 1.447 1.00 . A A . 16 TYR HB3 1 1 7 2232 1 1 16 TYR HD1 H 0.160 -1.724 3.647 1.00 . A A . 16 TYR HD1 1 1 7 2233 1 1 16 TYR HD2 H 3.249 0.861 2.266 1.00 . A A . 16 TYR HD2 1 1 7 2234 1 1 16 TYR HE1 H 1.644 -2.566 5.414 1.00 . A A . 16 TYR HE1 1 1 7 2235 1 1 16 TYR HE2 H 4.741 0.023 4.033 1.00 . A A . 16 TYR HE2 1 1 7 2236 1 1 16 TYR HH H 3.658 -1.773 6.662 1.00 . A A . 16 TYR HH 1 1 7 2237 1 1 16 TYR N N -1.648 -0.049 1.040 1.00 . A A . 16 TYR N 1 1 7 2238 1 1 16 TYR O O -1.509 1.913 3.781 1.00 . A A . 16 TYR O 1 1 7 2239 1 1 16 TYR OH O 4.116 -1.793 5.819 1.00 . A A . 16 TYR OH 1 1 7 2240 1 1 17 LYS C C -2.392 4.345 2.648 1.00 . A A . 17 LYS C 1 1 7 2241 1 1 17 LYS CA C -0.965 4.104 2.166 1.00 . A A . 17 LYS CA 1 1 7 2242 1 1 17 LYS CB C -0.661 5.007 0.968 1.00 . A A . 17 LYS CB 1 1 7 2243 1 1 17 LYS CD C -1.985 5.504 -1.113 1.00 . A A . 17 LYS CD 1 1 7 2244 1 1 17 LYS CE C -1.718 5.437 -2.607 1.00 . A A . 17 LYS CE 1 1 7 2245 1 1 17 LYS CG C -1.178 4.462 -0.355 1.00 . A A . 17 LYS CG 1 1 7 2246 1 1 17 LYS H H -0.389 2.481 0.930 1.00 . A A . 17 LYS H 1 1 7 2247 1 1 17 LYS HA H -0.283 4.346 2.967 1.00 . A A . 17 LYS HA 1 1 7 2248 1 1 17 LYS HB2 H -1.115 5.973 1.138 1.00 . A A . 17 LYS HB2 1 1 7 2249 1 1 17 LYS HB3 H 0.407 5.133 0.888 1.00 . A A . 17 LYS HB3 1 1 7 2250 1 1 17 LYS HD2 H -3.036 5.330 -0.937 1.00 . A A . 17 LYS HD2 1 1 7 2251 1 1 17 LYS HD3 H -1.717 6.487 -0.752 1.00 . A A . 17 LYS HD3 1 1 7 2252 1 1 17 LYS HE2 H -1.590 4.403 -2.891 1.00 . A A . 17 LYS HE2 1 1 7 2253 1 1 17 LYS HE3 H -2.568 5.849 -3.131 1.00 . A A . 17 LYS HE3 1 1 7 2254 1 1 17 LYS HG2 H -0.338 4.161 -0.961 1.00 . A A . 17 LYS HG2 1 1 7 2255 1 1 17 LYS HG3 H -1.808 3.606 -0.157 1.00 . A A . 17 LYS HG3 1 1 7 2256 1 1 17 LYS HZ1 H 0.306 5.907 -2.397 1.00 . A A . 17 LYS HZ1 1 1 7 2257 1 1 17 LYS HZ2 H -0.656 7.218 -2.861 1.00 . A A . 17 LYS HZ2 1 1 7 2258 1 1 17 LYS HZ3 H -0.261 6.019 -3.987 1.00 . A A . 17 LYS HZ3 1 1 7 2259 1 1 17 LYS N N -0.755 2.701 1.812 1.00 . A A . 17 LYS N 1 1 7 2260 1 1 17 LYS NZ N -0.497 6.198 -2.990 1.00 . A A . 17 LYS NZ 1 1 7 2261 1 1 17 LYS O O -2.655 5.291 3.391 1.00 . A A . 17 LYS O 1 1 7 2262 1 1 18 GLN C C -4.999 2.834 3.890 1.00 . A A . 18 GLN C 1 1 7 2263 1 1 18 GLN CA C -4.711 3.607 2.608 1.00 . A A . 18 GLN CA 1 1 7 2264 1 1 18 GLN CB C -5.616 3.081 1.493 1.00 . A A . 18 GLN CB 1 1 7 2265 1 1 18 GLN CD C -5.961 4.782 -0.343 1.00 . A A . 18 GLN CD 1 1 7 2266 1 1 18 GLN CG C -5.210 3.542 0.102 1.00 . A A . 18 GLN CG 1 1 7 2267 1 1 18 GLN H H -3.043 2.754 1.628 1.00 . A A . 18 GLN H 1 1 7 2268 1 1 18 GLN HA H -4.925 4.652 2.771 1.00 . A A . 18 GLN HA 1 1 7 2269 1 1 18 GLN HB2 H -5.594 1.999 1.513 1.00 . A A . 18 GLN HB2 1 1 7 2270 1 1 18 GLN HB3 H -6.626 3.414 1.679 1.00 . A A . 18 GLN HB3 1 1 7 2271 1 1 18 GLN HE21 H -7.105 3.687 -1.546 1.00 . A A . 18 GLN HE21 1 1 7 2272 1 1 18 GLN HE22 H -7.433 5.383 -1.538 1.00 . A A . 18 GLN HE22 1 1 7 2273 1 1 18 GLN HG2 H -4.153 3.761 0.100 1.00 . A A . 18 GLN HG2 1 1 7 2274 1 1 18 GLN HG3 H -5.411 2.747 -0.601 1.00 . A A . 18 GLN HG3 1 1 7 2275 1 1 18 GLN N N -3.311 3.486 2.221 1.00 . A A . 18 GLN N 1 1 7 2276 1 1 18 GLN NE2 N -6.932 4.599 -1.233 1.00 . A A . 18 GLN NE2 1 1 7 2277 1 1 18 GLN O O -6.016 3.060 4.544 1.00 . A A . 18 GLN O 1 1 7 2278 1 1 18 GLN OE1 O -5.674 5.891 0.105 1.00 . A A . 18 GLN OE1 1 1 7 2279 1 1 19 CYS C C -3.113 1.232 6.397 1.00 . A A . 19 CYS C 1 1 7 2280 1 1 19 CYS CA C -4.296 1.088 5.424 1.00 . A A . 19 CYS CA 1 1 7 2281 1 1 19 CYS CB C -4.514 -0.367 5.003 1.00 . A A . 19 CYS CB 1 1 7 2282 1 1 19 CYS H H -3.328 1.755 3.667 1.00 . A A . 19 CYS H 1 1 7 2283 1 1 19 CYS HA H -5.188 1.439 5.922 1.00 . A A . 19 CYS HA 1 1 7 2284 1 1 19 CYS HB2 H -5.178 -0.387 4.149 1.00 . A A . 19 CYS HB2 1 1 7 2285 1 1 19 CYS HB3 H -3.567 -0.802 4.720 1.00 . A A . 19 CYS HB3 1 1 7 2286 1 1 19 CYS N N -4.112 1.905 4.235 1.00 . A A . 19 CYS N 1 1 7 2287 1 1 19 CYS O O -2.838 2.331 6.878 1.00 . A A . 19 CYS O 1 1 7 2288 1 1 19 CYS SG S -5.242 -1.411 6.289 1.00 . A A . 19 CYS SG 1 1 7 2289 1 1 20 HIS C C -0.124 0.961 7.061 1.00 . A A . 20 HIS C 1 1 7 2290 1 1 20 HIS CA C -1.295 0.163 7.626 1.00 . A A . 20 HIS CA 1 1 7 2291 1 1 20 HIS CB C -0.840 -1.260 7.957 1.00 . A A . 20 HIS CB 1 1 7 2292 1 1 20 HIS CD2 C -2.229 -1.820 10.057 1.00 . A A . 20 HIS CD2 1 1 7 2293 1 1 20 HIS CE1 C -3.273 -3.550 9.243 1.00 . A A . 20 HIS CE1 1 1 7 2294 1 1 20 HIS CG C -1.828 -2.026 8.780 1.00 . A A . 20 HIS CG 1 1 7 2295 1 1 20 HIS H H -2.682 -0.726 6.302 1.00 . A A . 20 HIS H 1 1 7 2296 1 1 20 HIS HA H -1.630 0.639 8.534 1.00 . A A . 20 HIS HA 1 1 7 2297 1 1 20 HIS HB2 H -0.682 -1.803 7.037 1.00 . A A . 20 HIS HB2 1 1 7 2298 1 1 20 HIS HB3 H 0.089 -1.214 8.507 1.00 . A A . 20 HIS HB3 1 1 7 2299 1 1 20 HIS HD2 H -1.892 -1.041 10.724 1.00 . A A . 20 HIS HD2 1 1 7 2300 1 1 20 HIS HE1 H -3.931 -4.402 9.159 1.00 . A A . 20 HIS HE1 1 1 7 2301 1 1 20 HIS HE2 H -3.492 -3.017 11.236 1.00 . A A . 20 HIS HE2 1 1 7 2302 1 1 20 HIS N N -2.423 0.129 6.699 1.00 . A A . 20 HIS N 1 1 7 2303 1 1 20 HIS ND1 N -2.489 -3.117 8.271 1.00 . A A . 20 HIS ND1 1 1 7 2304 1 1 20 HIS NE2 N -3.151 -2.795 10.344 1.00 . A A . 20 HIS NE2 1 1 7 2305 1 1 20 HIS O O 0.645 1.562 7.812 1.00 . A A . 20 HIS O 1 1 7 2306 1 1 21 GLY C C 1.224 3.119 5.609 1.00 . A A . 21 GLY C 1 1 7 2307 1 1 21 GLY CA C 1.104 1.690 5.108 1.00 . A A . 21 GLY CA 1 1 7 2308 1 1 21 GLY H H -0.623 0.463 5.187 1.00 . A A . 21 GLY H 1 1 7 2309 1 1 21 GLY HA2 H 2.030 1.173 5.312 1.00 . A A . 21 GLY HA2 1 1 7 2310 1 1 21 GLY HA3 H 0.943 1.707 4.042 1.00 . A A . 21 GLY HA3 1 1 7 2311 1 1 21 GLY N N 0.015 0.962 5.738 1.00 . A A . 21 GLY N 1 1 7 2312 1 1 21 GLY O O 2.307 3.704 5.578 1.00 . A A . 21 GLY O 1 1 7 2313 1 1 22 ARG C C 0.309 5.064 8.089 1.00 . A A . 22 ARG C 1 1 7 2314 1 1 22 ARG CA C 0.099 5.045 6.580 1.00 . A A . 22 ARG CA 1 1 7 2315 1 1 22 ARG CB C -1.222 5.732 6.227 1.00 . A A . 22 ARG CB 1 1 7 2316 1 1 22 ARG CD C -2.211 8.038 6.400 1.00 . A A . 22 ARG CD 1 1 7 2317 1 1 22 ARG CG C -1.066 7.198 5.857 1.00 . A A . 22 ARG CG 1 1 7 2318 1 1 22 ARG CZ C -4.369 8.911 5.595 1.00 . A A . 22 ARG CZ 1 1 7 2319 1 1 22 ARG H H -0.721 3.161 6.069 1.00 . A A . 22 ARG H 1 1 7 2320 1 1 22 ARG HA H 0.909 5.581 6.109 1.00 . A A . 22 ARG HA 1 1 7 2321 1 1 22 ARG HB2 H -1.670 5.216 5.390 1.00 . A A . 22 ARG HB2 1 1 7 2322 1 1 22 ARG HB3 H -1.886 5.666 7.076 1.00 . A A . 22 ARG HB3 1 1 7 2323 1 1 22 ARG HD2 H -2.730 7.471 7.157 1.00 . A A . 22 ARG HD2 1 1 7 2324 1 1 22 ARG HD3 H -1.803 8.936 6.841 1.00 . A A . 22 ARG HD3 1 1 7 2325 1 1 22 ARG HE H -2.879 8.286 4.423 1.00 . A A . 22 ARG HE 1 1 7 2326 1 1 22 ARG HG2 H -0.138 7.565 6.268 1.00 . A A . 22 ARG HG2 1 1 7 2327 1 1 22 ARG HG3 H -1.045 7.286 4.780 1.00 . A A . 22 ARG HG3 1 1 7 2328 1 1 22 ARG HH11 H -4.186 8.860 7.608 1.00 . A A . 22 ARG HH11 1 1 7 2329 1 1 22 ARG HH12 H -5.694 9.471 7.016 1.00 . A A . 22 ARG HH12 1 1 7 2330 1 1 22 ARG HH21 H -4.863 9.088 3.643 1.00 . A A . 22 ARG HH21 1 1 7 2331 1 1 22 ARG HH22 H -6.078 9.600 4.765 1.00 . A A . 22 ARG HH22 1 1 7 2332 1 1 22 ARG N N 0.111 3.679 6.070 1.00 . A A . 22 ARG N 1 1 7 2333 1 1 22 ARG NE N -3.160 8.413 5.354 1.00 . A A . 22 ARG NE 1 1 7 2334 1 1 22 ARG NH1 N -4.783 9.096 6.842 1.00 . A A . 22 ARG NH1 1 1 7 2335 1 1 22 ARG NH2 N -5.168 9.225 4.585 1.00 . A A . 22 ARG NH2 1 1 7 2336 1 1 22 ARG O O -0.514 4.457 8.808 1.00 . A A . 22 ARG O 1 1 7 2337 1 1 22 ARG OXT O 1.294 5.684 8.542 1.00 . A A . 22 ARG OXT 1 1 7 2338 2 2 1 ZN ZN ZN -3.590 -3.072 6.546 1.00 . B A . 23 ZN ZN 1 1 8 2339 1 1 1 LYS C C 8.619 -2.987 0.778 1.00 . A A . 1 LYS C 1 1 8 2340 1 1 1 LYS CA C 9.697 -2.385 1.677 1.00 . A A . 1 LYS CA 1 1 8 2341 1 1 1 LYS CB C 10.768 -1.697 0.829 1.00 . A A . 1 LYS CB 1 1 8 2342 1 1 1 LYS CD C 11.861 0.549 0.559 1.00 . A A . 1 LYS CD 1 1 8 2343 1 1 1 LYS CE C 12.212 0.862 -0.887 1.00 . A A . 1 LYS CE 1 1 8 2344 1 1 1 LYS CG C 10.544 -0.203 0.664 1.00 . A A . 1 LYS CG 1 1 8 2345 1 1 1 LYS H1 H 10.997 -2.955 3.166 1.00 . A A . 1 LYS H1 1 1 8 2346 1 1 1 LYS H2 H 10.868 -4.066 1.864 1.00 . A A . 1 LYS H2 1 1 8 2347 1 1 1 LYS H3 H 9.603 -3.942 3.018 1.00 . A A . 1 LYS H3 1 1 8 2348 1 1 1 LYS HA H 9.241 -1.660 2.334 1.00 . A A . 1 LYS HA 1 1 8 2349 1 1 1 LYS HB2 H 11.731 -1.846 1.295 1.00 . A A . 1 LYS HB2 1 1 8 2350 1 1 1 LYS HB3 H 10.779 -2.147 -0.152 1.00 . A A . 1 LYS HB3 1 1 8 2351 1 1 1 LYS HD2 H 11.780 1.477 1.107 1.00 . A A . 1 LYS HD2 1 1 8 2352 1 1 1 LYS HD3 H 12.645 -0.056 0.988 1.00 . A A . 1 LYS HD3 1 1 8 2353 1 1 1 LYS HE2 H 13.275 0.733 -1.022 1.00 . A A . 1 LYS HE2 1 1 8 2354 1 1 1 LYS HE3 H 11.682 0.172 -1.528 1.00 . A A . 1 LYS HE3 1 1 8 2355 1 1 1 LYS HG2 H 9.971 -0.030 -0.235 1.00 . A A . 1 LYS HG2 1 1 8 2356 1 1 1 LYS HG3 H 9.996 0.166 1.519 1.00 . A A . 1 LYS HG3 1 1 8 2357 1 1 1 LYS HZ1 H 10.909 2.265 -1.721 1.00 . A A . 1 LYS HZ1 1 1 8 2358 1 1 1 LYS HZ2 H 12.545 2.647 -1.918 1.00 . A A . 1 LYS HZ2 1 1 8 2359 1 1 1 LYS HZ3 H 11.804 2.853 -0.411 1.00 . A A . 1 LYS HZ3 1 1 8 2360 1 1 1 LYS N N 10.350 -3.431 2.506 1.00 . A A . 1 LYS N 1 1 8 2361 1 1 1 LYS NZ N 11.841 2.254 -1.260 1.00 . A A . 1 LYS NZ 1 1 8 2362 1 1 1 LYS O O 8.899 -3.861 -0.042 1.00 . A A . 1 LYS O 1 1 8 2363 1 1 2 VAL C C 5.680 -1.893 -0.719 1.00 . A A . 2 VAL C 1 1 8 2364 1 1 2 VAL CA C 6.270 -3.002 0.142 1.00 . A A . 2 VAL CA 1 1 8 2365 1 1 2 VAL CB C 5.152 -3.582 1.033 1.00 . A A . 2 VAL CB 1 1 8 2366 1 1 2 VAL CG1 C 4.479 -2.481 1.847 1.00 . A A . 2 VAL CG1 1 1 8 2367 1 1 2 VAL CG2 C 4.130 -4.325 0.186 1.00 . A A . 2 VAL CG2 1 1 8 2368 1 1 2 VAL H H 7.229 -1.814 1.609 1.00 . A A . 2 VAL H 1 1 8 2369 1 1 2 VAL HA H 6.636 -3.789 -0.500 1.00 . A A . 2 VAL HA 1 1 8 2370 1 1 2 VAL HB H 5.597 -4.286 1.721 1.00 . A A . 2 VAL HB 1 1 8 2371 1 1 2 VAL HG11 H 5.090 -1.591 1.825 1.00 . A A . 2 VAL HG11 1 1 8 2372 1 1 2 VAL HG12 H 4.359 -2.810 2.868 1.00 . A A . 2 VAL HG12 1 1 8 2373 1 1 2 VAL HG13 H 3.509 -2.261 1.423 1.00 . A A . 2 VAL HG13 1 1 8 2374 1 1 2 VAL HG21 H 3.334 -3.649 -0.091 1.00 . A A . 2 VAL HG21 1 1 8 2375 1 1 2 VAL HG22 H 3.722 -5.148 0.755 1.00 . A A . 2 VAL HG22 1 1 8 2376 1 1 2 VAL HG23 H 4.608 -4.704 -0.705 1.00 . A A . 2 VAL HG23 1 1 8 2377 1 1 2 VAL N N 7.388 -2.511 0.939 1.00 . A A . 2 VAL N 1 1 8 2378 1 1 2 VAL O O 5.707 -0.721 -0.343 1.00 . A A . 2 VAL O 1 1 8 2379 1 1 3 GLY C C 3.353 -0.603 -2.076 1.00 . A A . 3 GLY C 1 1 8 2380 1 1 3 GLY CA C 4.523 -1.292 -2.745 1.00 . A A . 3 GLY CA 1 1 8 2381 1 1 3 GLY H H 5.123 -3.219 -2.112 1.00 . A A . 3 GLY H 1 1 8 2382 1 1 3 GLY HA2 H 5.263 -0.552 -3.015 1.00 . A A . 3 GLY HA2 1 1 8 2383 1 1 3 GLY HA3 H 4.175 -1.787 -3.639 1.00 . A A . 3 GLY HA3 1 1 8 2384 1 1 3 GLY N N 5.130 -2.270 -1.867 1.00 . A A . 3 GLY N 1 1 8 2385 1 1 3 GLY O O 2.238 -1.118 -2.082 1.00 . A A . 3 GLY O 1 1 8 2386 1 1 4 ARG C C 1.302 1.433 -1.600 1.00 . A A . 4 ARG C 1 1 8 2387 1 1 4 ARG CA C 2.582 1.308 -0.777 1.00 . A A . 4 ARG CA 1 1 8 2388 1 1 4 ARG CB C 3.096 2.695 -0.416 1.00 . A A . 4 ARG CB 1 1 8 2389 1 1 4 ARG CD C 3.191 4.481 1.340 1.00 . A A . 4 ARG CD 1 1 8 2390 1 1 4 ARG CG C 2.454 3.254 0.838 1.00 . A A . 4 ARG CG 1 1 8 2391 1 1 4 ARG CZ C 4.481 3.721 3.297 1.00 . A A . 4 ARG CZ 1 1 8 2392 1 1 4 ARG H H 4.530 0.901 -1.488 1.00 . A A . 4 ARG H 1 1 8 2393 1 1 4 ARG HA H 2.357 0.780 0.134 1.00 . A A . 4 ARG HA 1 1 8 2394 1 1 4 ARG HB2 H 4.164 2.643 -0.258 1.00 . A A . 4 ARG HB2 1 1 8 2395 1 1 4 ARG HB3 H 2.891 3.369 -1.233 1.00 . A A . 4 ARG HB3 1 1 8 2396 1 1 4 ARG HD2 H 4.125 4.565 0.806 1.00 . A A . 4 ARG HD2 1 1 8 2397 1 1 4 ARG HD3 H 2.585 5.353 1.143 1.00 . A A . 4 ARG HD3 1 1 8 2398 1 1 4 ARG HE H 2.870 4.897 3.374 1.00 . A A . 4 ARG HE 1 1 8 2399 1 1 4 ARG HG2 H 1.431 3.522 0.614 1.00 . A A . 4 ARG HG2 1 1 8 2400 1 1 4 ARG HG3 H 2.470 2.493 1.606 1.00 . A A . 4 ARG HG3 1 1 8 2401 1 1 4 ARG HH11 H 5.179 3.048 1.523 1.00 . A A . 4 ARG HH11 1 1 8 2402 1 1 4 ARG HH12 H 6.069 2.530 2.914 1.00 . A A . 4 ARG HH12 1 1 8 2403 1 1 4 ARG HH21 H 4.040 4.216 5.206 1.00 . A A . 4 ARG HH21 1 1 8 2404 1 1 4 ARG HH22 H 5.422 3.192 5.005 1.00 . A A . 4 ARG HH22 1 1 8 2405 1 1 4 ARG N N 3.614 0.553 -1.476 1.00 . A A . 4 ARG N 1 1 8 2406 1 1 4 ARG NE N 3.468 4.408 2.773 1.00 . A A . 4 ARG NE 1 1 8 2407 1 1 4 ARG NH1 N 5.310 3.043 2.513 1.00 . A A . 4 ARG NH1 1 1 8 2408 1 1 4 ARG NH2 N 4.663 3.709 4.610 1.00 . A A . 4 ARG NH2 1 1 8 2409 1 1 4 ARG O O 0.209 1.549 -1.046 1.00 . A A . 4 ARG O 1 1 8 2410 1 1 5 ASN C C -0.384 0.193 -4.050 1.00 . A A . 5 ASN C 1 1 8 2411 1 1 5 ASN CA C 0.290 1.544 -3.808 1.00 . A A . 5 ASN CA 1 1 8 2412 1 1 5 ASN CB C 0.716 2.158 -5.143 1.00 . A A . 5 ASN CB 1 1 8 2413 1 1 5 ASN CG C -0.412 2.918 -5.813 1.00 . A A . 5 ASN CG 1 1 8 2414 1 1 5 ASN H H 2.337 1.331 -3.306 1.00 . A A . 5 ASN H 1 1 8 2415 1 1 5 ASN HA H -0.418 2.205 -3.330 1.00 . A A . 5 ASN HA 1 1 8 2416 1 1 5 ASN HB2 H 1.535 2.842 -4.974 1.00 . A A . 5 ASN HB2 1 1 8 2417 1 1 5 ASN HB3 H 1.040 1.371 -5.807 1.00 . A A . 5 ASN HB3 1 1 8 2418 1 1 5 ASN HD21 H 0.079 4.571 -4.823 1.00 . A A . 5 ASN HD21 1 1 8 2419 1 1 5 ASN HD22 H -1.268 4.711 -5.895 1.00 . A A . 5 ASN HD22 1 1 8 2420 1 1 5 ASN N N 1.441 1.420 -2.919 1.00 . A A . 5 ASN N 1 1 8 2421 1 1 5 ASN ND2 N -0.547 4.196 -5.477 1.00 . A A . 5 ASN ND2 1 1 8 2422 1 1 5 ASN O O -1.363 0.105 -4.792 1.00 . A A . 5 ASN O 1 1 8 2423 1 1 5 ASN OD1 O -1.153 2.364 -6.625 1.00 . A A . 5 ASN OD1 1 1 8 2424 1 1 6 ASP C C -1.264 -2.568 -2.369 1.00 . A A . 6 ASP C 1 1 8 2425 1 1 6 ASP CA C -0.408 -2.197 -3.578 1.00 . A A . 6 ASP CA 1 1 8 2426 1 1 6 ASP CB C 0.728 -3.212 -3.755 1.00 . A A . 6 ASP CB 1 1 8 2427 1 1 6 ASP CG C 0.243 -4.650 -3.748 1.00 . A A . 6 ASP CG 1 1 8 2428 1 1 6 ASP H H 0.922 -0.727 -2.850 1.00 . A A . 6 ASP H 1 1 8 2429 1 1 6 ASP HA H -1.028 -2.204 -4.462 1.00 . A A . 6 ASP HA 1 1 8 2430 1 1 6 ASP HB2 H 1.222 -3.027 -4.697 1.00 . A A . 6 ASP HB2 1 1 8 2431 1 1 6 ASP HB3 H 1.439 -3.088 -2.952 1.00 . A A . 6 ASP HB3 1 1 8 2432 1 1 6 ASP N N 0.143 -0.856 -3.427 1.00 . A A . 6 ASP N 1 1 8 2433 1 1 6 ASP O O -0.959 -2.179 -1.241 1.00 . A A . 6 ASP O 1 1 8 2434 1 1 6 ASP OD1 O -0.008 -5.187 -2.648 1.00 . A A . 6 ASP OD1 1 1 8 2435 1 1 6 ASP OD2 O 0.113 -5.238 -4.842 1.00 . A A . 6 ASP OD2 1 1 8 2436 1 1 7 PRO C C -2.497 -4.233 -0.273 1.00 . A A . 7 PRO C 1 1 8 2437 1 1 7 PRO CA C -3.250 -3.763 -1.516 1.00 . A A . 7 PRO CA 1 1 8 2438 1 1 7 PRO CB C -4.038 -4.928 -2.144 1.00 . A A . 7 PRO CB 1 1 8 2439 1 1 7 PRO CD C -2.790 -3.847 -3.885 1.00 . A A . 7 PRO CD 1 1 8 2440 1 1 7 PRO CG C -3.455 -5.137 -3.508 1.00 . A A . 7 PRO CG 1 1 8 2441 1 1 7 PRO HA H -3.933 -2.975 -1.240 1.00 . A A . 7 PRO HA 1 1 8 2442 1 1 7 PRO HB2 H -3.925 -5.809 -1.531 1.00 . A A . 7 PRO HB2 1 1 8 2443 1 1 7 PRO HB3 H -5.084 -4.661 -2.202 1.00 . A A . 7 PRO HB3 1 1 8 2444 1 1 7 PRO HD2 H -1.950 -4.027 -4.541 1.00 . A A . 7 PRO HD2 1 1 8 2445 1 1 7 PRO HD3 H -3.497 -3.174 -4.347 1.00 . A A . 7 PRO HD3 1 1 8 2446 1 1 7 PRO HG2 H -2.731 -5.936 -3.477 1.00 . A A . 7 PRO HG2 1 1 8 2447 1 1 7 PRO HG3 H -4.243 -5.372 -4.209 1.00 . A A . 7 PRO HG3 1 1 8 2448 1 1 7 PRO N N -2.348 -3.333 -2.587 1.00 . A A . 7 PRO N 1 1 8 2449 1 1 7 PRO O O -1.716 -5.183 -0.331 1.00 . A A . 7 PRO O 1 1 8 2450 1 1 8 CYS C C -1.964 -5.394 2.314 1.00 . A A . 8 CYS C 1 1 8 2451 1 1 8 CYS CA C -2.099 -3.881 2.122 1.00 . A A . 8 CYS CA 1 1 8 2452 1 1 8 CYS CB C -2.906 -3.284 3.277 1.00 . A A . 8 CYS CB 1 1 8 2453 1 1 8 CYS H H -3.372 -2.805 0.817 1.00 . A A . 8 CYS H 1 1 8 2454 1 1 8 CYS HA H -1.115 -3.438 2.117 1.00 . A A . 8 CYS HA 1 1 8 2455 1 1 8 CYS HB2 H -3.367 -2.365 2.947 1.00 . A A . 8 CYS HB2 1 1 8 2456 1 1 8 CYS HB3 H -3.677 -3.984 3.565 1.00 . A A . 8 CYS HB3 1 1 8 2457 1 1 8 CYS N N -2.742 -3.554 0.847 1.00 . A A . 8 CYS N 1 1 8 2458 1 1 8 CYS O O -2.909 -6.144 2.066 1.00 . A A . 8 CYS O 1 1 8 2459 1 1 8 CYS SG S -1.928 -2.906 4.750 1.00 . A A . 8 CYS SG 1 1 8 2460 1 1 9 PRO C C -1.447 -7.887 4.053 1.00 . A A . 9 PRO C 1 1 8 2461 1 1 9 PRO CA C -0.535 -7.294 2.983 1.00 . A A . 9 PRO CA 1 1 8 2462 1 1 9 PRO CB C 0.927 -7.344 3.440 1.00 . A A . 9 PRO CB 1 1 8 2463 1 1 9 PRO CD C 0.398 -5.046 3.082 1.00 . A A . 9 PRO CD 1 1 8 2464 1 1 9 PRO CG C 1.225 -5.968 3.928 1.00 . A A . 9 PRO CG 1 1 8 2465 1 1 9 PRO HA H -0.646 -7.858 2.068 1.00 . A A . 9 PRO HA 1 1 8 2466 1 1 9 PRO HB2 H 1.035 -8.073 4.229 1.00 . A A . 9 PRO HB2 1 1 8 2467 1 1 9 PRO HB3 H 1.559 -7.610 2.607 1.00 . A A . 9 PRO HB3 1 1 8 2468 1 1 9 PRO HD2 H 0.120 -4.166 3.642 1.00 . A A . 9 PRO HD2 1 1 8 2469 1 1 9 PRO HD3 H 0.934 -4.773 2.185 1.00 . A A . 9 PRO HD3 1 1 8 2470 1 1 9 PRO HG2 H 0.945 -5.878 4.968 1.00 . A A . 9 PRO HG2 1 1 8 2471 1 1 9 PRO HG3 H 2.276 -5.753 3.802 1.00 . A A . 9 PRO HG3 1 1 8 2472 1 1 9 PRO N N -0.784 -5.864 2.760 1.00 . A A . 9 PRO N 1 1 8 2473 1 1 9 PRO O O -1.653 -9.101 4.102 1.00 . A A . 9 PRO O 1 1 8 2474 1 1 10 CYS C C -4.063 -8.255 5.417 1.00 . A A . 10 CYS C 1 1 8 2475 1 1 10 CYS CA C -2.878 -7.475 5.980 1.00 . A A . 10 CYS CA 1 1 8 2476 1 1 10 CYS CB C -3.377 -6.278 6.792 1.00 . A A . 10 CYS CB 1 1 8 2477 1 1 10 CYS H H -1.790 -6.073 4.825 1.00 . A A . 10 CYS H 1 1 8 2478 1 1 10 CYS HA H -2.311 -8.126 6.629 1.00 . A A . 10 CYS HA 1 1 8 2479 1 1 10 CYS HB2 H -3.917 -6.639 7.655 1.00 . A A . 10 CYS HB2 1 1 8 2480 1 1 10 CYS HB3 H -2.528 -5.699 7.124 1.00 . A A . 10 CYS HB3 1 1 8 2481 1 1 10 CYS N N -1.991 -7.028 4.911 1.00 . A A . 10 CYS N 1 1 8 2482 1 1 10 CYS O O -4.546 -9.203 6.038 1.00 . A A . 10 CYS O 1 1 8 2483 1 1 10 CYS SG S -4.478 -5.169 5.882 1.00 . A A . 10 CYS SG 1 1 8 2484 1 1 11 GLY C C -6.978 -7.895 3.973 1.00 . A A . 11 GLY C 1 1 8 2485 1 1 11 GLY CA C -5.648 -8.524 3.611 1.00 . A A . 11 GLY CA 1 1 8 2486 1 1 11 GLY H H -4.099 -7.091 3.789 1.00 . A A . 11 GLY H 1 1 8 2487 1 1 11 GLY HA2 H -5.524 -8.485 2.539 1.00 . A A . 11 GLY HA2 1 1 8 2488 1 1 11 GLY HA3 H -5.654 -9.557 3.925 1.00 . A A . 11 GLY HA3 1 1 8 2489 1 1 11 GLY N N -4.525 -7.852 4.238 1.00 . A A . 11 GLY N 1 1 8 2490 1 1 11 GLY O O -7.984 -8.589 4.113 1.00 . A A . 11 GLY O 1 1 8 2491 1 1 12 SER C C -8.954 -5.419 3.220 1.00 . A A . 12 SER C 1 1 8 2492 1 1 12 SER CA C -8.201 -5.850 4.474 1.00 . A A . 12 SER CA 1 1 8 2493 1 1 12 SER CB C -7.865 -4.625 5.326 1.00 . A A . 12 SER CB 1 1 8 2494 1 1 12 SER H H -6.150 -6.075 4.002 1.00 . A A . 12 SER H 1 1 8 2495 1 1 12 SER HA H -8.829 -6.514 5.047 1.00 . A A . 12 SER HA 1 1 8 2496 1 1 12 SER HB2 H -6.875 -4.274 5.076 1.00 . A A . 12 SER HB2 1 1 8 2497 1 1 12 SER HB3 H -8.583 -3.844 5.128 1.00 . A A . 12 SER HB3 1 1 8 2498 1 1 12 SER HG H -8.762 -5.299 6.932 1.00 . A A . 12 SER HG 1 1 8 2499 1 1 12 SER N N -6.983 -6.574 4.127 1.00 . A A . 12 SER N 1 1 8 2500 1 1 12 SER O O -10.150 -5.672 3.084 1.00 . A A . 12 SER O 1 1 8 2501 1 1 12 SER OG O -7.900 -4.938 6.708 1.00 . A A . 12 SER OG 1 1 8 2502 1 1 13 GLY C C -8.240 -3.023 0.563 1.00 . A A . 13 GLY C 1 1 8 2503 1 1 13 GLY CA C -8.858 -4.309 1.074 1.00 . A A . 13 GLY CA 1 1 8 2504 1 1 13 GLY H H -7.292 -4.593 2.469 1.00 . A A . 13 GLY H 1 1 8 2505 1 1 13 GLY HA2 H -8.745 -5.075 0.321 1.00 . A A . 13 GLY HA2 1 1 8 2506 1 1 13 GLY HA3 H -9.911 -4.144 1.250 1.00 . A A . 13 GLY HA3 1 1 8 2507 1 1 13 GLY N N -8.243 -4.766 2.306 1.00 . A A . 13 GLY N 1 1 8 2508 1 1 13 GLY O O -8.142 -2.810 -0.646 1.00 . A A . 13 GLY O 1 1 8 2509 1 1 14 LYS C C -5.705 -1.044 0.943 1.00 . A A . 14 LYS C 1 1 8 2510 1 1 14 LYS CA C -7.211 -0.890 1.126 1.00 . A A . 14 LYS CA 1 1 8 2511 1 1 14 LYS CB C -7.494 0.159 2.203 1.00 . A A . 14 LYS CB 1 1 8 2512 1 1 14 LYS CD C -9.376 1.696 2.851 1.00 . A A . 14 LYS CD 1 1 8 2513 1 1 14 LYS CE C -9.988 1.857 4.233 1.00 . A A . 14 LYS CE 1 1 8 2514 1 1 14 LYS CG C -8.962 0.256 2.587 1.00 . A A . 14 LYS CG 1 1 8 2515 1 1 14 LYS H H -7.929 -2.391 2.434 1.00 . A A . 14 LYS H 1 1 8 2516 1 1 14 LYS HA H -7.644 -0.564 0.193 1.00 . A A . 14 LYS HA 1 1 8 2517 1 1 14 LYS HB2 H -6.926 -0.088 3.088 1.00 . A A . 14 LYS HB2 1 1 8 2518 1 1 14 LYS HB3 H -7.174 1.125 1.839 1.00 . A A . 14 LYS HB3 1 1 8 2519 1 1 14 LYS HD2 H -8.506 2.331 2.779 1.00 . A A . 14 LYS HD2 1 1 8 2520 1 1 14 LYS HD3 H -10.104 1.993 2.109 1.00 . A A . 14 LYS HD3 1 1 8 2521 1 1 14 LYS HE2 H -11.049 1.667 4.168 1.00 . A A . 14 LYS HE2 1 1 8 2522 1 1 14 LYS HE3 H -9.535 1.139 4.899 1.00 . A A . 14 LYS HE3 1 1 8 2523 1 1 14 LYS HG2 H -9.562 -0.137 1.780 1.00 . A A . 14 LYS HG2 1 1 8 2524 1 1 14 LYS HG3 H -9.129 -0.328 3.480 1.00 . A A . 14 LYS HG3 1 1 8 2525 1 1 14 LYS HZ1 H -10.377 3.375 5.616 1.00 . A A . 14 LYS HZ1 1 1 8 2526 1 1 14 LYS HZ2 H -10.018 3.939 4.062 1.00 . A A . 14 LYS HZ2 1 1 8 2527 1 1 14 LYS HZ3 H -8.781 3.352 5.053 1.00 . A A . 14 LYS HZ3 1 1 8 2528 1 1 14 LYS N N -7.824 -2.163 1.486 1.00 . A A . 14 LYS N 1 1 8 2529 1 1 14 LYS NZ N -9.777 3.227 4.779 1.00 . A A . 14 LYS NZ 1 1 8 2530 1 1 14 LYS O O -5.075 -1.886 1.583 1.00 . A A . 14 LYS O 1 1 8 2531 1 1 15 LYS C C -2.918 0.070 1.078 1.00 . A A . 15 LYS C 1 1 8 2532 1 1 15 LYS CA C -3.697 -0.267 -0.187 1.00 . A A . 15 LYS CA 1 1 8 2533 1 1 15 LYS CB C -3.325 0.704 -1.309 1.00 . A A . 15 LYS CB 1 1 8 2534 1 1 15 LYS CD C -4.865 1.309 -3.210 1.00 . A A . 15 LYS CD 1 1 8 2535 1 1 15 LYS CE C -6.293 0.799 -3.104 1.00 . A A . 15 LYS CE 1 1 8 2536 1 1 15 LYS CG C -3.869 0.294 -2.670 1.00 . A A . 15 LYS CG 1 1 8 2537 1 1 15 LYS H H -5.684 0.432 -0.407 1.00 . A A . 15 LYS H 1 1 8 2538 1 1 15 LYS HA H -3.446 -1.271 -0.492 1.00 . A A . 15 LYS HA 1 1 8 2539 1 1 15 LYS HB2 H -3.714 1.682 -1.067 1.00 . A A . 15 LYS HB2 1 1 8 2540 1 1 15 LYS HB3 H -2.248 0.762 -1.378 1.00 . A A . 15 LYS HB3 1 1 8 2541 1 1 15 LYS HD2 H -4.777 2.224 -2.643 1.00 . A A . 15 LYS HD2 1 1 8 2542 1 1 15 LYS HD3 H -4.638 1.504 -4.247 1.00 . A A . 15 LYS HD3 1 1 8 2543 1 1 15 LYS HE2 H -6.539 0.261 -4.006 1.00 . A A . 15 LYS HE2 1 1 8 2544 1 1 15 LYS HE3 H -6.361 0.131 -2.258 1.00 . A A . 15 LYS HE3 1 1 8 2545 1 1 15 LYS HG2 H -3.047 0.210 -3.363 1.00 . A A . 15 LYS HG2 1 1 8 2546 1 1 15 LYS HG3 H -4.359 -0.664 -2.575 1.00 . A A . 15 LYS HG3 1 1 8 2547 1 1 15 LYS HZ1 H -8.175 1.666 -3.369 1.00 . A A . 15 LYS HZ1 1 1 8 2548 1 1 15 LYS HZ2 H -6.902 2.781 -3.359 1.00 . A A . 15 LYS HZ2 1 1 8 2549 1 1 15 LYS HZ3 H -7.428 2.085 -1.909 1.00 . A A . 15 LYS HZ3 1 1 8 2550 1 1 15 LYS N N -5.131 -0.222 0.070 1.00 . A A . 15 LYS N 1 1 8 2551 1 1 15 LYS NZ N -7.268 1.911 -2.922 1.00 . A A . 15 LYS NZ 1 1 8 2552 1 1 15 LYS O O -3.496 0.487 2.082 1.00 . A A . 15 LYS O 1 1 8 2553 1 1 16 TYR C C -1.062 1.538 2.774 1.00 . A A . 16 TYR C 1 1 8 2554 1 1 16 TYR CA C -0.746 0.170 2.174 1.00 . A A . 16 TYR CA 1 1 8 2555 1 1 16 TYR CB C 0.726 0.100 1.759 1.00 . A A . 16 TYR CB 1 1 8 2556 1 1 16 TYR CD1 C 1.213 -1.514 3.646 1.00 . A A . 16 TYR CD1 1 1 8 2557 1 1 16 TYR CD2 C 2.936 -0.007 2.975 1.00 . A A . 16 TYR CD2 1 1 8 2558 1 1 16 TYR CE1 C 2.047 -2.044 4.612 1.00 . A A . 16 TYR CE1 1 1 8 2559 1 1 16 TYR CE2 C 3.776 -0.534 3.939 1.00 . A A . 16 TYR CE2 1 1 8 2560 1 1 16 TYR CG C 1.641 -0.487 2.813 1.00 . A A . 16 TYR CG 1 1 8 2561 1 1 16 TYR CZ C 3.327 -1.551 4.754 1.00 . A A . 16 TYR CZ 1 1 8 2562 1 1 16 TYR H H -1.197 -0.451 0.201 1.00 . A A . 16 TYR H 1 1 8 2563 1 1 16 TYR HA H -0.938 -0.585 2.919 1.00 . A A . 16 TYR HA 1 1 8 2564 1 1 16 TYR HB2 H 0.813 -0.509 0.872 1.00 . A A . 16 TYR HB2 1 1 8 2565 1 1 16 TYR HB3 H 1.073 1.098 1.538 1.00 . A A . 16 TYR HB3 1 1 8 2566 1 1 16 TYR HD1 H 0.211 -1.902 3.532 1.00 . A A . 16 TYR HD1 1 1 8 2567 1 1 16 TYR HD2 H 3.286 0.787 2.331 1.00 . A A . 16 TYR HD2 1 1 8 2568 1 1 16 TYR HE1 H 1.696 -2.843 5.249 1.00 . A A . 16 TYR HE1 1 1 8 2569 1 1 16 TYR HE2 H 4.777 -0.147 4.050 1.00 . A A . 16 TYR HE2 1 1 8 2570 1 1 16 TYR HH H 4.671 -1.370 6.117 1.00 . A A . 16 TYR HH 1 1 8 2571 1 1 16 TYR N N -1.602 -0.114 1.027 1.00 . A A . 16 TYR N 1 1 8 2572 1 1 16 TYR O O -1.612 1.631 3.871 1.00 . A A . 16 TYR O 1 1 8 2573 1 1 16 TYR OH O 4.160 -2.076 5.714 1.00 . A A . 16 TYR OH 1 1 8 2574 1 1 17 LYS C C -2.453 4.148 2.865 1.00 . A A . 17 LYS C 1 1 8 2575 1 1 17 LYS CA C -0.977 3.958 2.517 1.00 . A A . 17 LYS CA 1 1 8 2576 1 1 17 LYS CB C -0.559 4.976 1.452 1.00 . A A . 17 LYS CB 1 1 8 2577 1 1 17 LYS CD C -1.898 5.666 -0.563 1.00 . A A . 17 LYS CD 1 1 8 2578 1 1 17 LYS CE C -2.304 5.308 -1.984 1.00 . A A . 17 LYS CE 1 1 8 2579 1 1 17 LYS CG C -1.000 4.600 0.046 1.00 . A A . 17 LYS CG 1 1 8 2580 1 1 17 LYS H H -0.289 2.466 1.180 1.00 . A A . 17 LYS H 1 1 8 2581 1 1 17 LYS HA H -0.386 4.120 3.406 1.00 . A A . 17 LYS HA 1 1 8 2582 1 1 17 LYS HB2 H -0.989 5.935 1.700 1.00 . A A . 17 LYS HB2 1 1 8 2583 1 1 17 LYS HB3 H 0.517 5.062 1.458 1.00 . A A . 17 LYS HB3 1 1 8 2584 1 1 17 LYS HD2 H -2.786 5.762 0.041 1.00 . A A . 17 LYS HD2 1 1 8 2585 1 1 17 LYS HD3 H -1.365 6.605 -0.576 1.00 . A A . 17 LYS HD3 1 1 8 2586 1 1 17 LYS HE2 H -2.052 4.273 -2.169 1.00 . A A . 17 LYS HE2 1 1 8 2587 1 1 17 LYS HE3 H -3.371 5.442 -2.083 1.00 . A A . 17 LYS HE3 1 1 8 2588 1 1 17 LYS HG2 H -0.125 4.483 -0.575 1.00 . A A . 17 LYS HG2 1 1 8 2589 1 1 17 LYS HG3 H -1.541 3.665 0.087 1.00 . A A . 17 LYS HG3 1 1 8 2590 1 1 17 LYS HZ1 H -0.666 5.780 -3.190 1.00 . A A . 17 LYS HZ1 1 1 8 2591 1 1 17 LYS HZ2 H -1.516 7.131 -2.631 1.00 . A A . 17 LYS HZ2 1 1 8 2592 1 1 17 LYS HZ3 H -2.160 6.183 -3.876 1.00 . A A . 17 LYS HZ3 1 1 8 2593 1 1 17 LYS N N -0.720 2.599 2.050 1.00 . A A . 17 LYS N 1 1 8 2594 1 1 17 LYS NZ N -1.613 6.160 -2.991 1.00 . A A . 17 LYS NZ 1 1 8 2595 1 1 17 LYS O O -2.807 5.018 3.659 1.00 . A A . 17 LYS O 1 1 8 2596 1 1 18 GLN C C -5.170 2.442 3.609 1.00 . A A . 18 GLN C 1 1 8 2597 1 1 18 GLN CA C -4.745 3.399 2.503 1.00 . A A . 18 GLN CA 1 1 8 2598 1 1 18 GLN CB C -5.511 3.040 1.231 1.00 . A A . 18 GLN CB 1 1 8 2599 1 1 18 GLN CD C -5.459 5.059 -0.288 1.00 . A A . 18 GLN CD 1 1 8 2600 1 1 18 GLN CG C -4.933 3.660 -0.032 1.00 . A A . 18 GLN CG 1 1 8 2601 1 1 18 GLN H H -2.964 2.655 1.638 1.00 . A A . 18 GLN H 1 1 8 2602 1 1 18 GLN HA H -4.990 4.409 2.793 1.00 . A A . 18 GLN HA 1 1 8 2603 1 1 18 GLN HB2 H -5.501 1.963 1.120 1.00 . A A . 18 GLN HB2 1 1 8 2604 1 1 18 GLN HB3 H -6.533 3.372 1.336 1.00 . A A . 18 GLN HB3 1 1 8 2605 1 1 18 GLN HE21 H -6.577 4.392 -1.790 1.00 . A A . 18 GLN HE21 1 1 8 2606 1 1 18 GLN HE22 H -6.684 6.086 -1.470 1.00 . A A . 18 GLN HE22 1 1 8 2607 1 1 18 GLN HG2 H -3.859 3.708 0.062 1.00 . A A . 18 GLN HG2 1 1 8 2608 1 1 18 GLN HG3 H -5.192 3.036 -0.874 1.00 . A A . 18 GLN HG3 1 1 8 2609 1 1 18 GLN N N -3.308 3.326 2.262 1.00 . A A . 18 GLN N 1 1 8 2610 1 1 18 GLN NE2 N -6.327 5.192 -1.283 1.00 . A A . 18 GLN NE2 1 1 8 2611 1 1 18 GLN O O -6.359 2.164 3.768 1.00 . A A . 18 GLN O 1 1 8 2612 1 1 18 GLN OE1 O -5.090 6.009 0.402 1.00 . A A . 18 GLN OE1 1 1 8 2613 1 1 19 CYS C C -3.509 1.038 6.551 1.00 . A A . 19 CYS C 1 1 8 2614 1 1 19 CYS CA C -4.520 0.968 5.409 1.00 . A A . 19 CYS CA 1 1 8 2615 1 1 19 CYS CB C -4.568 -0.439 4.816 1.00 . A A . 19 CYS CB 1 1 8 2616 1 1 19 CYS H H -3.273 2.150 4.175 1.00 . A A . 19 CYS H 1 1 8 2617 1 1 19 CYS HA H -5.496 1.216 5.794 1.00 . A A . 19 CYS HA 1 1 8 2618 1 1 19 CYS HB2 H -5.041 -0.388 3.843 1.00 . A A . 19 CYS HB2 1 1 8 2619 1 1 19 CYS HB3 H -3.561 -0.807 4.697 1.00 . A A . 19 CYS HB3 1 1 8 2620 1 1 19 CYS N N -4.207 1.915 4.352 1.00 . A A . 19 CYS N 1 1 8 2621 1 1 19 CYS O O -3.803 1.580 7.617 1.00 . A A . 19 CYS O 1 1 8 2622 1 1 19 CYS SG S -5.481 -1.637 5.816 1.00 . A A . 19 CYS SG 1 1 8 2623 1 1 20 HIS C C -0.084 1.320 6.926 1.00 . A A . 20 HIS C 1 1 8 2624 1 1 20 HIS CA C -1.282 0.477 7.352 1.00 . A A . 20 HIS CA 1 1 8 2625 1 1 20 HIS CB C -0.835 -0.956 7.647 1.00 . A A . 20 HIS CB 1 1 8 2626 1 1 20 HIS CD2 C -1.980 -1.564 9.879 1.00 . A A . 20 HIS CD2 1 1 8 2627 1 1 20 HIS CE1 C -3.280 -3.131 9.104 1.00 . A A . 20 HIS CE1 1 1 8 2628 1 1 20 HIS CG C -1.773 -1.701 8.547 1.00 . A A . 20 HIS CG 1 1 8 2629 1 1 20 HIS H H -2.147 0.058 5.463 1.00 . A A . 20 HIS H 1 1 8 2630 1 1 20 HIS HA H -1.702 0.902 8.251 1.00 . A A . 20 HIS HA 1 1 8 2631 1 1 20 HIS HB2 H -0.763 -1.502 6.718 1.00 . A A . 20 HIS HB2 1 1 8 2632 1 1 20 HIS HB3 H 0.135 -0.933 8.123 1.00 . A A . 20 HIS HB3 1 1 8 2633 1 1 20 HIS HD2 H -1.487 -0.868 10.542 1.00 . A A . 20 HIS HD2 1 1 8 2634 1 1 20 HIS HE1 H -4.018 -3.917 9.057 1.00 . A A . 20 HIS HE1 1 1 8 2635 1 1 20 HIS HE2 H -3.429 -2.502 11.076 1.00 . A A . 20 HIS HE2 1 1 8 2636 1 1 20 HIS N N -2.323 0.480 6.330 1.00 . A A . 20 HIS N 1 1 8 2637 1 1 20 HIS ND1 N -2.595 -2.690 8.065 1.00 . A A . 20 HIS ND1 1 1 8 2638 1 1 20 HIS NE2 N -2.941 -2.477 10.227 1.00 . A A . 20 HIS NE2 1 1 8 2639 1 1 20 HIS O O 0.555 1.971 7.753 1.00 . A A . 20 HIS O 1 1 8 2640 1 1 21 GLY C C 1.295 3.528 5.546 1.00 . A A . 21 GLY C 1 1 8 2641 1 1 21 GLY CA C 1.337 2.072 5.117 1.00 . A A . 21 GLY CA 1 1 8 2642 1 1 21 GLY H H -0.329 0.767 5.019 1.00 . A A . 21 GLY H 1 1 8 2643 1 1 21 GLY HA2 H 2.254 1.630 5.473 1.00 . A A . 21 GLY HA2 1 1 8 2644 1 1 21 GLY HA3 H 1.324 2.027 4.038 1.00 . A A . 21 GLY HA3 1 1 8 2645 1 1 21 GLY N N 0.215 1.304 5.631 1.00 . A A . 21 GLY N 1 1 8 2646 1 1 21 GLY O O 2.331 4.190 5.612 1.00 . A A . 21 GLY O 1 1 8 2647 1 1 22 ARG C C 0.513 5.624 7.657 1.00 . A A . 22 ARG C 1 1 8 2648 1 1 22 ARG CA C -0.072 5.409 6.265 1.00 . A A . 22 ARG CA 1 1 8 2649 1 1 22 ARG CB C -1.554 5.789 6.253 1.00 . A A . 22 ARG CB 1 1 8 2650 1 1 22 ARG CD C -2.090 8.240 6.461 1.00 . A A . 22 ARG CD 1 1 8 2651 1 1 22 ARG CG C -1.843 7.082 5.506 1.00 . A A . 22 ARG CG 1 1 8 2652 1 1 22 ARG CZ C -0.997 10.371 7.035 1.00 . A A . 22 ARG CZ 1 1 8 2653 1 1 22 ARG H H -0.690 3.446 5.769 1.00 . A A . 22 ARG H 1 1 8 2654 1 1 22 ARG HA H 0.459 6.037 5.564 1.00 . A A . 22 ARG HA 1 1 8 2655 1 1 22 ARG HB2 H -2.113 4.995 5.785 1.00 . A A . 22 ARG HB2 1 1 8 2656 1 1 22 ARG HB3 H -1.894 5.903 7.273 1.00 . A A . 22 ARG HB3 1 1 8 2657 1 1 22 ARG HD2 H -3.118 8.557 6.364 1.00 . A A . 22 ARG HD2 1 1 8 2658 1 1 22 ARG HD3 H -1.913 7.902 7.472 1.00 . A A . 22 ARG HD3 1 1 8 2659 1 1 22 ARG HE H -0.770 9.400 5.308 1.00 . A A . 22 ARG HE 1 1 8 2660 1 1 22 ARG HG2 H -0.998 7.321 4.879 1.00 . A A . 22 ARG HG2 1 1 8 2661 1 1 22 ARG HG3 H -2.721 6.941 4.892 1.00 . A A . 22 ARG HG3 1 1 8 2662 1 1 22 ARG HH11 H -2.195 9.627 8.485 1.00 . A A . 22 ARG HH11 1 1 8 2663 1 1 22 ARG HH12 H -1.415 11.126 8.864 1.00 . A A . 22 ARG HH12 1 1 8 2664 1 1 22 ARG HH21 H 0.258 11.370 5.806 1.00 . A A . 22 ARG HH21 1 1 8 2665 1 1 22 ARG HH22 H -0.022 12.115 7.343 1.00 . A A . 22 ARG HH22 1 1 8 2666 1 1 22 ARG N N 0.098 4.024 5.840 1.00 . A A . 22 ARG N 1 1 8 2667 1 1 22 ARG NE N -1.216 9.376 6.180 1.00 . A A . 22 ARG NE 1 1 8 2668 1 1 22 ARG NH1 N -1.584 10.376 8.226 1.00 . A A . 22 ARG NH1 1 1 8 2669 1 1 22 ARG NH2 N -0.187 11.367 6.701 1.00 . A A . 22 ARG NH2 1 1 8 2670 1 1 22 ARG O O 0.026 4.980 8.609 1.00 . A A . 22 ARG O 1 1 8 2671 1 1 22 ARG OXT O 1.454 6.436 7.784 1.00 . A A . 22 ARG OXT 1 1 8 2672 2 2 1 ZN ZN ZN -3.648 -3.016 6.356 1.00 . B A . 23 ZN ZN 1 1 9 2673 1 1 1 LYS C C 8.665 -3.133 0.453 1.00 . A A . 1 LYS C 1 1 9 2674 1 1 1 LYS CA C 9.819 -2.629 1.314 1.00 . A A . 1 LYS CA 1 1 9 2675 1 1 1 LYS CB C 10.941 -3.670 1.359 1.00 . A A . 1 LYS CB 1 1 9 2676 1 1 1 LYS CD C 13.210 -4.127 0.384 1.00 . A A . 1 LYS CD 1 1 9 2677 1 1 1 LYS CE C 14.661 -3.672 0.357 1.00 . A A . 1 LYS CE 1 1 9 2678 1 1 1 LYS CG C 12.314 -3.097 1.050 1.00 . A A . 1 LYS CG 1 1 9 2679 1 1 1 LYS H1 H 8.762 -3.140 3.003 1.00 . A A . 1 LYS H1 1 1 9 2680 1 1 1 LYS H2 H 8.852 -1.454 2.698 1.00 . A A . 1 LYS H2 1 1 9 2681 1 1 1 LYS H3 H 10.221 -2.292 3.304 1.00 . A A . 1 LYS H3 1 1 9 2682 1 1 1 LYS HA H 10.202 -1.713 0.888 1.00 . A A . 1 LYS HA 1 1 9 2683 1 1 1 LYS HB2 H 10.971 -4.107 2.346 1.00 . A A . 1 LYS HB2 1 1 9 2684 1 1 1 LYS HB3 H 10.729 -4.446 0.638 1.00 . A A . 1 LYS HB3 1 1 9 2685 1 1 1 LYS HD2 H 13.146 -5.055 0.931 1.00 . A A . 1 LYS HD2 1 1 9 2686 1 1 1 LYS HD3 H 12.873 -4.282 -0.631 1.00 . A A . 1 LYS HD3 1 1 9 2687 1 1 1 LYS HE2 H 14.791 -2.884 1.085 1.00 . A A . 1 LYS HE2 1 1 9 2688 1 1 1 LYS HE3 H 15.292 -4.509 0.616 1.00 . A A . 1 LYS HE3 1 1 9 2689 1 1 1 LYS HG2 H 12.201 -2.252 0.389 1.00 . A A . 1 LYS HG2 1 1 9 2690 1 1 1 LYS HG3 H 12.775 -2.775 1.973 1.00 . A A . 1 LYS HG3 1 1 9 2691 1 1 1 LYS HZ1 H 14.521 -3.653 -1.727 1.00 . A A . 1 LYS HZ1 1 1 9 2692 1 1 1 LYS HZ2 H 16.073 -3.323 -1.142 1.00 . A A . 1 LYS HZ2 1 1 9 2693 1 1 1 LYS HZ3 H 14.867 -2.141 -1.050 1.00 . A A . 1 LYS HZ3 1 1 9 2694 1 1 1 LYS N N 9.374 -2.354 2.705 1.00 . A A . 1 LYS N 1 1 9 2695 1 1 1 LYS NZ N 15.058 -3.162 -0.983 1.00 . A A . 1 LYS NZ 1 1 9 2696 1 1 1 LYS O O 8.868 -3.897 -0.490 1.00 . A A . 1 LYS O 1 1 9 2697 1 1 2 VAL C C 5.669 -1.928 -0.722 1.00 . A A . 2 VAL C 1 1 9 2698 1 1 2 VAL CA C 6.266 -3.102 0.040 1.00 . A A . 2 VAL CA 1 1 9 2699 1 1 2 VAL CB C 5.185 -3.684 0.975 1.00 . A A . 2 VAL CB 1 1 9 2700 1 1 2 VAL CG1 C 4.713 -2.633 1.970 1.00 . A A . 2 VAL CG1 1 1 9 2701 1 1 2 VAL CG2 C 4.013 -4.224 0.169 1.00 . A A . 2 VAL CG2 1 1 9 2702 1 1 2 VAL H H 7.355 -2.089 1.545 1.00 . A A . 2 VAL H 1 1 9 2703 1 1 2 VAL HA H 6.555 -3.869 -0.664 1.00 . A A . 2 VAL HA 1 1 9 2704 1 1 2 VAL HB H 5.620 -4.502 1.530 1.00 . A A . 2 VAL HB 1 1 9 2705 1 1 2 VAL HG11 H 3.963 -3.062 2.618 1.00 . A A . 2 VAL HG11 1 1 9 2706 1 1 2 VAL HG12 H 4.288 -1.793 1.436 1.00 . A A . 2 VAL HG12 1 1 9 2707 1 1 2 VAL HG13 H 5.551 -2.295 2.563 1.00 . A A . 2 VAL HG13 1 1 9 2708 1 1 2 VAL HG21 H 3.681 -5.158 0.597 1.00 . A A . 2 VAL HG21 1 1 9 2709 1 1 2 VAL HG22 H 4.322 -4.386 -0.854 1.00 . A A . 2 VAL HG22 1 1 9 2710 1 1 2 VAL HG23 H 3.201 -3.510 0.190 1.00 . A A . 2 VAL HG23 1 1 9 2711 1 1 2 VAL N N 7.453 -2.698 0.784 1.00 . A A . 2 VAL N 1 1 9 2712 1 1 2 VAL O O 5.673 -0.795 -0.237 1.00 . A A . 2 VAL O 1 1 9 2713 1 1 3 GLY C C 3.386 -0.495 -1.957 1.00 . A A . 3 GLY C 1 1 9 2714 1 1 3 GLY CA C 4.529 -1.153 -2.700 1.00 . A A . 3 GLY CA 1 1 9 2715 1 1 3 GLY H H 5.149 -3.124 -2.242 1.00 . A A . 3 GLY H 1 1 9 2716 1 1 3 GLY HA2 H 5.276 -0.407 -2.932 1.00 . A A . 3 GLY HA2 1 1 9 2717 1 1 3 GLY HA3 H 4.154 -1.576 -3.619 1.00 . A A . 3 GLY HA3 1 1 9 2718 1 1 3 GLY N N 5.139 -2.202 -1.909 1.00 . A A . 3 GLY N 1 1 9 2719 1 1 3 GLY O O 2.269 -1.007 -1.948 1.00 . A A . 3 GLY O 1 1 9 2720 1 1 4 ARG C C 1.358 1.516 -1.306 1.00 . A A . 4 ARG C 1 1 9 2721 1 1 4 ARG CA C 2.667 1.346 -0.536 1.00 . A A . 4 ARG CA 1 1 9 2722 1 1 4 ARG CB C 3.198 2.714 -0.117 1.00 . A A . 4 ARG CB 1 1 9 2723 1 1 4 ARG CD C 3.347 4.416 1.721 1.00 . A A . 4 ARG CD 1 1 9 2724 1 1 4 ARG CG C 2.589 3.216 1.179 1.00 . A A . 4 ARG CG 1 1 9 2725 1 1 4 ARG CZ C 4.194 5.189 3.902 1.00 . A A . 4 ARG CZ 1 1 9 2726 1 1 4 ARG H H 4.587 0.974 -1.333 1.00 . A A . 4 ARG H 1 1 9 2727 1 1 4 ARG HA H 2.473 0.769 0.351 1.00 . A A . 4 ARG HA 1 1 9 2728 1 1 4 ARG HB2 H 4.269 2.649 0.012 1.00 . A A . 4 ARG HB2 1 1 9 2729 1 1 4 ARG HB3 H 2.978 3.428 -0.895 1.00 . A A . 4 ARG HB3 1 1 9 2730 1 1 4 ARG HD2 H 4.364 4.374 1.360 1.00 . A A . 4 ARG HD2 1 1 9 2731 1 1 4 ARG HD3 H 2.874 5.317 1.360 1.00 . A A . 4 ARG HD3 1 1 9 2732 1 1 4 ARG HE H 2.721 3.866 3.651 1.00 . A A . 4 ARG HE 1 1 9 2733 1 1 4 ARG HG2 H 1.564 3.501 0.994 1.00 . A A . 4 ARG HG2 1 1 9 2734 1 1 4 ARG HG3 H 2.619 2.420 1.910 1.00 . A A . 4 ARG HG3 1 1 9 2735 1 1 4 ARG HH11 H 5.119 6.014 2.303 1.00 . A A . 4 ARG HH11 1 1 9 2736 1 1 4 ARG HH12 H 5.697 6.540 3.848 1.00 . A A . 4 ARG HH12 1 1 9 2737 1 1 4 ARG HH21 H 3.479 4.557 5.684 1.00 . A A . 4 ARG HH21 1 1 9 2738 1 1 4 ARG HH22 H 4.767 5.713 5.768 1.00 . A A . 4 ARG HH22 1 1 9 2739 1 1 4 ARG N N 3.672 0.628 -1.308 1.00 . A A . 4 ARG N 1 1 9 2740 1 1 4 ARG NE N 3.363 4.439 3.182 1.00 . A A . 4 ARG NE 1 1 9 2741 1 1 4 ARG NH1 N 5.076 5.979 3.301 1.00 . A A . 4 ARG NH1 1 1 9 2742 1 1 4 ARG NH2 N 4.143 5.150 5.227 1.00 . A A . 4 ARG NH2 1 1 9 2743 1 1 4 ARG O O 0.288 1.613 -0.707 1.00 . A A . 4 ARG O 1 1 9 2744 1 1 5 ASN C C -0.397 0.394 -3.797 1.00 . A A . 5 ASN C 1 1 9 2745 1 1 5 ASN CA C 0.265 1.733 -3.467 1.00 . A A . 5 ASN CA 1 1 9 2746 1 1 5 ASN CB C 0.632 2.464 -4.760 1.00 . A A . 5 ASN CB 1 1 9 2747 1 1 5 ASN CG C -0.575 3.091 -5.431 1.00 . A A . 5 ASN CG 1 1 9 2748 1 1 5 ASN H H 2.329 1.487 -3.054 1.00 . A A . 5 ASN H 1 1 9 2749 1 1 5 ASN HA H -0.439 2.339 -2.914 1.00 . A A . 5 ASN HA 1 1 9 2750 1 1 5 ASN HB2 H 1.342 3.245 -4.536 1.00 . A A . 5 ASN HB2 1 1 9 2751 1 1 5 ASN HB3 H 1.078 1.761 -5.448 1.00 . A A . 5 ASN HB3 1 1 9 2752 1 1 5 ASN HD21 H -0.079 4.876 -4.710 1.00 . A A . 5 ASN HD21 1 1 9 2753 1 1 5 ASN HD22 H -1.510 4.829 -5.678 1.00 . A A . 5 ASN HD22 1 1 9 2754 1 1 5 ASN N N 1.449 1.562 -2.630 1.00 . A A . 5 ASN N 1 1 9 2755 1 1 5 ASN ND2 N -0.738 4.397 -5.255 1.00 . A A . 5 ASN ND2 1 1 9 2756 1 1 5 ASN O O -1.400 0.349 -4.510 1.00 . A A . 5 ASN O 1 1 9 2757 1 1 5 ASN OD1 O -1.352 2.409 -6.099 1.00 . A A . 5 ASN OD1 1 1 9 2758 1 1 6 ASP C C -1.259 -2.470 -2.371 1.00 . A A . 6 ASP C 1 1 9 2759 1 1 6 ASP CA C -0.366 -2.027 -3.528 1.00 . A A . 6 ASP CA 1 1 9 2760 1 1 6 ASP CB C 0.783 -3.024 -3.723 1.00 . A A . 6 ASP CB 1 1 9 2761 1 1 6 ASP CG C 0.311 -4.464 -3.804 1.00 . A A . 6 ASP CG 1 1 9 2762 1 1 6 ASP H H 0.965 -0.599 -2.723 1.00 . A A . 6 ASP H 1 1 9 2763 1 1 6 ASP HA H -0.956 -1.988 -4.431 1.00 . A A . 6 ASP HA 1 1 9 2764 1 1 6 ASP HB2 H 1.303 -2.786 -4.639 1.00 . A A . 6 ASP HB2 1 1 9 2765 1 1 6 ASP HB3 H 1.471 -2.936 -2.894 1.00 . A A . 6 ASP HB3 1 1 9 2766 1 1 6 ASP N N 0.169 -0.694 -3.283 1.00 . A A . 6 ASP N 1 1 9 2767 1 1 6 ASP O O -0.997 -2.139 -1.215 1.00 . A A . 6 ASP O 1 1 9 2768 1 1 6 ASP OD1 O 0.086 -5.075 -2.739 1.00 . A A . 6 ASP OD1 1 1 9 2769 1 1 6 ASP OD2 O 0.167 -4.979 -4.933 1.00 . A A . 6 ASP OD2 1 1 9 2770 1 1 7 PRO C C -2.555 -4.224 -0.399 1.00 . A A . 7 PRO C 1 1 9 2771 1 1 7 PRO CA C -3.264 -3.722 -1.655 1.00 . A A . 7 PRO CA 1 1 9 2772 1 1 7 PRO CB C -3.997 -4.877 -2.362 1.00 . A A . 7 PRO CB 1 1 9 2773 1 1 7 PRO CD C -2.723 -3.675 -4.005 1.00 . A A . 7 PRO CD 1 1 9 2774 1 1 7 PRO CG C -3.373 -4.996 -3.720 1.00 . A A . 7 PRO CG 1 1 9 2775 1 1 7 PRO HA H -3.978 -2.960 -1.378 1.00 . A A . 7 PRO HA 1 1 9 2776 1 1 7 PRO HB2 H -3.870 -5.787 -1.793 1.00 . A A . 7 PRO HB2 1 1 9 2777 1 1 7 PRO HB3 H -5.049 -4.642 -2.436 1.00 . A A . 7 PRO HB3 1 1 9 2778 1 1 7 PRO HD2 H -1.863 -3.803 -4.645 1.00 . A A . 7 PRO HD2 1 1 9 2779 1 1 7 PRO HD3 H -3.430 -2.990 -4.449 1.00 . A A . 7 PRO HD3 1 1 9 2780 1 1 7 PRO HG2 H -2.633 -5.784 -3.715 1.00 . A A . 7 PRO HG2 1 1 9 2781 1 1 7 PRO HG3 H -4.136 -5.206 -4.456 1.00 . A A . 7 PRO HG3 1 1 9 2782 1 1 7 PRO N N -2.329 -3.230 -2.667 1.00 . A A . 7 PRO N 1 1 9 2783 1 1 7 PRO O O -1.767 -5.169 -0.452 1.00 . A A . 7 PRO O 1 1 9 2784 1 1 8 CYS C C -2.147 -5.448 2.190 1.00 . A A . 8 CYS C 1 1 9 2785 1 1 8 CYS CA C -2.250 -3.930 2.016 1.00 . A A . 8 CYS CA 1 1 9 2786 1 1 8 CYS CB C -3.086 -3.334 3.150 1.00 . A A . 8 CYS CB 1 1 9 2787 1 1 8 CYS H H -3.479 -2.830 0.690 1.00 . A A . 8 CYS H 1 1 9 2788 1 1 8 CYS HA H -1.260 -3.504 2.050 1.00 . A A . 8 CYS HA 1 1 9 2789 1 1 8 CYS HB2 H -3.559 -2.428 2.800 1.00 . A A . 8 CYS HB2 1 1 9 2790 1 1 8 CYS HB3 H -3.849 -4.044 3.435 1.00 . A A . 8 CYS HB3 1 1 9 2791 1 1 8 CYS N N -2.846 -3.576 0.727 1.00 . A A . 8 CYS N 1 1 9 2792 1 1 8 CYS O O -3.088 -6.179 1.886 1.00 . A A . 8 CYS O 1 1 9 2793 1 1 8 CYS SG S -2.139 -2.917 4.631 1.00 . A A . 8 CYS SG 1 1 9 2794 1 1 9 PRO C C -1.631 -7.947 4.018 1.00 . A A . 9 PRO C 1 1 9 2795 1 1 9 PRO CA C -0.775 -7.378 2.889 1.00 . A A . 9 PRO CA 1 1 9 2796 1 1 9 PRO CB C 0.710 -7.464 3.250 1.00 . A A . 9 PRO CB 1 1 9 2797 1 1 9 PRO CD C 0.186 -5.143 3.066 1.00 . A A . 9 PRO CD 1 1 9 2798 1 1 9 PRO CG C 1.043 -6.127 3.812 1.00 . A A . 9 PRO CG 1 1 9 2799 1 1 9 PRO HA H -0.959 -7.939 1.985 1.00 . A A . 9 PRO HA 1 1 9 2800 1 1 9 PRO HB2 H 0.860 -8.248 3.980 1.00 . A A . 9 PRO HB2 1 1 9 2801 1 1 9 PRO HB3 H 1.288 -7.675 2.363 1.00 . A A . 9 PRO HB3 1 1 9 2802 1 1 9 PRO HD2 H -0.095 -4.324 3.710 1.00 . A A . 9 PRO HD2 1 1 9 2803 1 1 9 PRO HD3 H 0.704 -4.776 2.192 1.00 . A A . 9 PRO HD3 1 1 9 2804 1 1 9 PRO HG2 H 0.812 -6.102 4.866 1.00 . A A . 9 PRO HG2 1 1 9 2805 1 1 9 PRO HG3 H 2.088 -5.910 3.651 1.00 . A A . 9 PRO HG3 1 1 9 2806 1 1 9 PRO N N -0.994 -5.941 2.681 1.00 . A A . 9 PRO N 1 1 9 2807 1 1 9 PRO O O -1.878 -9.152 4.072 1.00 . A A . 9 PRO O 1 1 9 2808 1 1 10 CYS C C -4.142 -8.260 5.566 1.00 . A A . 10 CYS C 1 1 9 2809 1 1 10 CYS CA C -2.905 -7.505 6.046 1.00 . A A . 10 CYS CA 1 1 9 2810 1 1 10 CYS CB C -3.321 -6.297 6.891 1.00 . A A . 10 CYS CB 1 1 9 2811 1 1 10 CYS H H -1.850 -6.130 4.827 1.00 . A A . 10 CYS H 1 1 9 2812 1 1 10 CYS HA H -2.310 -8.169 6.655 1.00 . A A . 10 CYS HA 1 1 9 2813 1 1 10 CYS HB2 H -3.775 -6.648 7.805 1.00 . A A . 10 CYS HB2 1 1 9 2814 1 1 10 CYS HB3 H -2.441 -5.718 7.134 1.00 . A A . 10 CYS HB3 1 1 9 2815 1 1 10 CYS N N -2.080 -7.078 4.919 1.00 . A A . 10 CYS N 1 1 9 2816 1 1 10 CYS O O -4.662 -9.128 6.268 1.00 . A A . 10 CYS O 1 1 9 2817 1 1 10 CYS SG S -4.502 -5.190 6.083 1.00 . A A . 10 CYS SG 1 1 9 2818 1 1 11 GLY C C -7.067 -7.866 4.172 1.00 . A A . 11 GLY C 1 1 9 2819 1 1 11 GLY CA C -5.779 -8.582 3.817 1.00 . A A . 11 GLY CA 1 1 9 2820 1 1 11 GLY H H -4.153 -7.226 3.852 1.00 . A A . 11 GLY H 1 1 9 2821 1 1 11 GLY HA2 H -5.685 -8.620 2.742 1.00 . A A . 11 GLY HA2 1 1 9 2822 1 1 11 GLY HA3 H -5.824 -9.591 4.200 1.00 . A A . 11 GLY HA3 1 1 9 2823 1 1 11 GLY N N -4.608 -7.925 4.367 1.00 . A A . 11 GLY N 1 1 9 2824 1 1 11 GLY O O -8.108 -8.500 4.351 1.00 . A A . 11 GLY O 1 1 9 2825 1 1 12 SER C C -8.918 -5.318 3.347 1.00 . A A . 12 SER C 1 1 9 2826 1 1 12 SER CA C -8.169 -5.741 4.607 1.00 . A A . 12 SER CA 1 1 9 2827 1 1 12 SER CB C -7.754 -4.503 5.407 1.00 . A A . 12 SER CB 1 1 9 2828 1 1 12 SER H H -6.140 -6.095 4.118 1.00 . A A . 12 SER H 1 1 9 2829 1 1 12 SER HA H -8.824 -6.348 5.214 1.00 . A A . 12 SER HA 1 1 9 2830 1 1 12 SER HB2 H -6.843 -4.099 4.993 1.00 . A A . 12 SER HB2 1 1 9 2831 1 1 12 SER HB3 H -8.537 -3.761 5.347 1.00 . A A . 12 SER HB3 1 1 9 2832 1 1 12 SER HG H -7.472 -4.019 7.283 1.00 . A A . 12 SER HG 1 1 9 2833 1 1 12 SER N N -6.998 -6.543 4.273 1.00 . A A . 12 SER N 1 1 9 2834 1 1 12 SER O O -10.140 -5.180 3.356 1.00 . A A . 12 SER O 1 1 9 2835 1 1 12 SER OG O -7.532 -4.826 6.769 1.00 . A A . 12 SER OG 1 1 9 2836 1 1 13 GLY C C -8.198 -3.423 0.469 1.00 . A A . 13 GLY C 1 1 9 2837 1 1 13 GLY CA C -8.784 -4.712 1.010 1.00 . A A . 13 GLY CA 1 1 9 2838 1 1 13 GLY H H -7.203 -5.241 2.316 1.00 . A A . 13 GLY H 1 1 9 2839 1 1 13 GLY HA2 H -8.637 -5.495 0.282 1.00 . A A . 13 GLY HA2 1 1 9 2840 1 1 13 GLY HA3 H -9.844 -4.574 1.165 1.00 . A A . 13 GLY HA3 1 1 9 2841 1 1 13 GLY N N -8.174 -5.116 2.264 1.00 . A A . 13 GLY N 1 1 9 2842 1 1 13 GLY O O -8.126 -3.227 -0.744 1.00 . A A . 13 GLY O 1 1 9 2843 1 1 14 LYS C C -5.692 -1.394 0.760 1.00 . A A . 14 LYS C 1 1 9 2844 1 1 14 LYS CA C -7.196 -1.263 0.978 1.00 . A A . 14 LYS CA 1 1 9 2845 1 1 14 LYS CB C -7.473 -0.203 2.045 1.00 . A A . 14 LYS CB 1 1 9 2846 1 1 14 LYS CD C -9.347 1.288 2.804 1.00 . A A . 14 LYS CD 1 1 9 2847 1 1 14 LYS CE C -10.817 1.523 2.497 1.00 . A A . 14 LYS CE 1 1 9 2848 1 1 14 LYS CG C -8.930 -0.137 2.474 1.00 . A A . 14 LYS CG 1 1 9 2849 1 1 14 LYS H H -7.862 -2.755 2.323 1.00 . A A . 14 LYS H 1 1 9 2850 1 1 14 LYS HA H -7.657 -0.959 0.051 1.00 . A A . 14 LYS HA 1 1 9 2851 1 1 14 LYS HB2 H -6.871 -0.420 2.916 1.00 . A A . 14 LYS HB2 1 1 9 2852 1 1 14 LYS HB3 H -7.191 0.763 1.655 1.00 . A A . 14 LYS HB3 1 1 9 2853 1 1 14 LYS HD2 H -9.175 1.468 3.855 1.00 . A A . 14 LYS HD2 1 1 9 2854 1 1 14 LYS HD3 H -8.751 1.971 2.217 1.00 . A A . 14 LYS HD3 1 1 9 2855 1 1 14 LYS HE2 H -11.010 1.229 1.477 1.00 . A A . 14 LYS HE2 1 1 9 2856 1 1 14 LYS HE3 H -11.412 0.919 3.165 1.00 . A A . 14 LYS HE3 1 1 9 2857 1 1 14 LYS HG2 H -9.550 -0.506 1.671 1.00 . A A . 14 LYS HG2 1 1 9 2858 1 1 14 LYS HG3 H -9.065 -0.754 3.350 1.00 . A A . 14 LYS HG3 1 1 9 2859 1 1 14 LYS HZ1 H -10.601 3.397 3.397 1.00 . A A . 14 LYS HZ1 1 1 9 2860 1 1 14 LYS HZ2 H -12.192 3.026 2.961 1.00 . A A . 14 LYS HZ2 1 1 9 2861 1 1 14 LYS HZ3 H -11.072 3.466 1.773 1.00 . A A . 14 LYS HZ3 1 1 9 2862 1 1 14 LYS N N -7.778 -2.541 1.370 1.00 . A A . 14 LYS N 1 1 9 2863 1 1 14 LYS NZ N -11.197 2.953 2.669 1.00 . A A . 14 LYS NZ 1 1 9 2864 1 1 14 LYS O O -5.083 -2.387 1.154 1.00 . A A . 14 LYS O 1 1 9 2865 1 1 15 LYS C C -2.897 0.164 1.068 1.00 . A A . 15 LYS C 1 1 9 2866 1 1 15 LYS CA C -3.665 -0.385 -0.129 1.00 . A A . 15 LYS CA 1 1 9 2867 1 1 15 LYS CB C -3.341 0.429 -1.384 1.00 . A A . 15 LYS CB 1 1 9 2868 1 1 15 LYS CD C -4.951 2.316 -1.868 1.00 . A A . 15 LYS CD 1 1 9 2869 1 1 15 LYS CE C -5.093 1.793 -3.290 1.00 . A A . 15 LYS CE 1 1 9 2870 1 1 15 LYS CG C -3.617 1.921 -1.247 1.00 . A A . 15 LYS CG 1 1 9 2871 1 1 15 LYS H H -5.636 0.384 -0.153 1.00 . A A . 15 LYS H 1 1 9 2872 1 1 15 LYS HA H -3.363 -1.406 -0.292 1.00 . A A . 15 LYS HA 1 1 9 2873 1 1 15 LYS HB2 H -2.294 0.302 -1.619 1.00 . A A . 15 LYS HB2 1 1 9 2874 1 1 15 LYS HB3 H -3.931 0.047 -2.204 1.00 . A A . 15 LYS HB3 1 1 9 2875 1 1 15 LYS HD2 H -5.751 1.913 -1.266 1.00 . A A . 15 LYS HD2 1 1 9 2876 1 1 15 LYS HD3 H -5.021 3.395 -1.884 1.00 . A A . 15 LYS HD3 1 1 9 2877 1 1 15 LYS HE2 H -4.127 1.452 -3.631 1.00 . A A . 15 LYS HE2 1 1 9 2878 1 1 15 LYS HE3 H -5.784 0.962 -3.284 1.00 . A A . 15 LYS HE3 1 1 9 2879 1 1 15 LYS HG2 H -3.629 2.179 -0.201 1.00 . A A . 15 LYS HG2 1 1 9 2880 1 1 15 LYS HG3 H -2.826 2.467 -1.742 1.00 . A A . 15 LYS HG3 1 1 9 2881 1 1 15 LYS HZ1 H -6.115 3.569 -3.693 1.00 . A A . 15 LYS HZ1 1 1 9 2882 1 1 15 LYS HZ2 H -6.234 2.416 -4.925 1.00 . A A . 15 LYS HZ2 1 1 9 2883 1 1 15 LYS HZ3 H -4.799 3.288 -4.719 1.00 . A A . 15 LYS HZ3 1 1 9 2884 1 1 15 LYS N N -5.098 -0.382 0.134 1.00 . A A . 15 LYS N 1 1 9 2885 1 1 15 LYS NZ N -5.596 2.840 -4.222 1.00 . A A . 15 LYS NZ 1 1 9 2886 1 1 15 LYS O O -3.467 0.834 1.929 1.00 . A A . 15 LYS O 1 1 9 2887 1 1 16 TYR C C -1.014 1.783 2.576 1.00 . A A . 16 TYR C 1 1 9 2888 1 1 16 TYR CA C -0.744 0.322 2.211 1.00 . A A . 16 TYR CA 1 1 9 2889 1 1 16 TYR CB C 0.724 0.150 1.816 1.00 . A A . 16 TYR CB 1 1 9 2890 1 1 16 TYR CD1 C 1.058 -1.582 3.627 1.00 . A A . 16 TYR CD1 1 1 9 2891 1 1 16 TYR CD2 C 2.891 -0.164 3.066 1.00 . A A . 16 TYR CD2 1 1 9 2892 1 1 16 TYR CE1 C 1.834 -2.216 4.579 1.00 . A A . 16 TYR CE1 1 1 9 2893 1 1 16 TYR CE2 C 3.673 -0.792 4.017 1.00 . A A . 16 TYR CE2 1 1 9 2894 1 1 16 TYR CG C 1.573 -0.547 2.855 1.00 . A A . 16 TYR CG 1 1 9 2895 1 1 16 TYR CZ C 3.140 -1.817 4.770 1.00 . A A . 16 TYR CZ 1 1 9 2896 1 1 16 TYR H H -1.208 -0.675 0.403 1.00 . A A . 16 TYR H 1 1 9 2897 1 1 16 TYR HA H -0.950 -0.293 3.072 1.00 . A A . 16 TYR HA 1 1 9 2898 1 1 16 TYR HB2 H 0.776 -0.429 0.907 1.00 . A A . 16 TYR HB2 1 1 9 2899 1 1 16 TYR HB3 H 1.153 1.125 1.639 1.00 . A A . 16 TYR HB3 1 1 9 2900 1 1 16 TYR HD1 H 0.035 -1.895 3.472 1.00 . A A . 16 TYR HD1 1 1 9 2901 1 1 16 TYR HD2 H 3.308 0.637 2.469 1.00 . A A . 16 TYR HD2 1 1 9 2902 1 1 16 TYR HE1 H 1.416 -3.020 5.168 1.00 . A A . 16 TYR HE1 1 1 9 2903 1 1 16 TYR HE2 H 4.696 -0.480 4.166 1.00 . A A . 16 TYR HE2 1 1 9 2904 1 1 16 TYR HH H 3.428 -2.500 6.544 1.00 . A A . 16 TYR HH 1 1 9 2905 1 1 16 TYR N N -1.601 -0.131 1.119 1.00 . A A . 16 TYR N 1 1 9 2906 1 1 16 TYR O O -1.435 2.086 3.692 1.00 . A A . 16 TYR O 1 1 9 2907 1 1 16 TYR OH O 3.915 -2.444 5.718 1.00 . A A . 16 TYR OH 1 1 9 2908 1 1 17 LYS C C -2.352 4.398 2.437 1.00 . A A . 17 LYS C 1 1 9 2909 1 1 17 LYS CA C -0.971 4.112 1.849 1.00 . A A . 17 LYS CA 1 1 9 2910 1 1 17 LYS CB C -0.801 4.879 0.536 1.00 . A A . 17 LYS CB 1 1 9 2911 1 1 17 LYS CD C -2.285 5.660 -1.340 1.00 . A A . 17 LYS CD 1 1 9 2912 1 1 17 LYS CE C -1.991 5.509 -2.824 1.00 . A A . 17 LYS CE 1 1 9 2913 1 1 17 LYS CG C -1.786 4.463 -0.544 1.00 . A A . 17 LYS CG 1 1 9 2914 1 1 17 LYS H H -0.424 2.378 0.761 1.00 . A A . 17 LYS H 1 1 9 2915 1 1 17 LYS HA H -0.221 4.450 2.548 1.00 . A A . 17 LYS HA 1 1 9 2916 1 1 17 LYS HB2 H -0.932 5.933 0.728 1.00 . A A . 17 LYS HB2 1 1 9 2917 1 1 17 LYS HB3 H 0.200 4.712 0.163 1.00 . A A . 17 LYS HB3 1 1 9 2918 1 1 17 LYS HD2 H -3.353 5.752 -1.203 1.00 . A A . 17 LYS HD2 1 1 9 2919 1 1 17 LYS HD3 H -1.797 6.553 -0.975 1.00 . A A . 17 LYS HD3 1 1 9 2920 1 1 17 LYS HE2 H -1.204 4.780 -2.949 1.00 . A A . 17 LYS HE2 1 1 9 2921 1 1 17 LYS HE3 H -2.885 5.161 -3.322 1.00 . A A . 17 LYS HE3 1 1 9 2922 1 1 17 LYS HG2 H -1.299 3.773 -1.217 1.00 . A A . 17 LYS HG2 1 1 9 2923 1 1 17 LYS HG3 H -2.631 3.976 -0.077 1.00 . A A . 17 LYS HG3 1 1 9 2924 1 1 17 LYS HZ1 H -1.937 6.870 -4.407 1.00 . A A . 17 LYS HZ1 1 1 9 2925 1 1 17 LYS HZ2 H -0.525 6.845 -3.478 1.00 . A A . 17 LYS HZ2 1 1 9 2926 1 1 17 LYS HZ3 H -1.915 7.596 -2.879 1.00 . A A . 17 LYS HZ3 1 1 9 2927 1 1 17 LYS N N -0.763 2.683 1.629 1.00 . A A . 17 LYS N 1 1 9 2928 1 1 17 LYS NZ N -1.562 6.795 -3.440 1.00 . A A . 17 LYS NZ 1 1 9 2929 1 1 17 LYS O O -2.553 5.411 3.108 1.00 . A A . 17 LYS O 1 1 9 2930 1 1 18 GLN C C -4.831 3.023 4.050 1.00 . A A . 18 GLN C 1 1 9 2931 1 1 18 GLN CA C -4.661 3.668 2.680 1.00 . A A . 18 GLN CA 1 1 9 2932 1 1 18 GLN CB C -5.661 3.046 1.704 1.00 . A A . 18 GLN CB 1 1 9 2933 1 1 18 GLN CD C -7.867 4.266 1.547 1.00 . A A . 18 GLN CD 1 1 9 2934 1 1 18 GLN CG C -6.491 4.067 0.945 1.00 . A A . 18 GLN CG 1 1 9 2935 1 1 18 GLN H H -3.085 2.719 1.636 1.00 . A A . 18 GLN H 1 1 9 2936 1 1 18 GLN HA H -4.863 4.725 2.763 1.00 . A A . 18 GLN HA 1 1 9 2937 1 1 18 GLN HB2 H -5.120 2.448 0.987 1.00 . A A . 18 GLN HB2 1 1 9 2938 1 1 18 GLN HB3 H -6.334 2.403 2.257 1.00 . A A . 18 GLN HB3 1 1 9 2939 1 1 18 GLN HE21 H -8.601 4.770 -0.231 1.00 . A A . 18 GLN HE21 1 1 9 2940 1 1 18 GLN HE22 H -9.730 4.780 1.077 1.00 . A A . 18 GLN HE22 1 1 9 2941 1 1 18 GLN HG2 H -5.971 5.013 0.955 1.00 . A A . 18 GLN HG2 1 1 9 2942 1 1 18 GLN HG3 H -6.605 3.732 -0.076 1.00 . A A . 18 GLN HG3 1 1 9 2943 1 1 18 GLN N N -3.301 3.504 2.180 1.00 . A A . 18 GLN N 1 1 9 2944 1 1 18 GLN NE2 N -8.830 4.644 0.714 1.00 . A A . 18 GLN NE2 1 1 9 2945 1 1 18 GLN O O -5.466 3.587 4.941 1.00 . A A . 18 GLN O 1 1 9 2946 1 1 18 GLN OE1 O -8.065 4.083 2.749 1.00 . A A . 18 GLN OE1 1 1 9 2947 1 1 19 CYS C C -3.138 1.231 6.312 1.00 . A A . 19 CYS C 1 1 9 2948 1 1 19 CYS CA C -4.398 1.084 5.444 1.00 . A A . 19 CYS CA 1 1 9 2949 1 1 19 CYS CB C -4.701 -0.383 5.126 1.00 . A A . 19 CYS CB 1 1 9 2950 1 1 19 CYS H H -3.808 1.420 3.443 1.00 . A A . 19 CYS H 1 1 9 2951 1 1 19 CYS HA H -5.233 1.495 5.989 1.00 . A A . 19 CYS HA 1 1 9 2952 1 1 19 CYS HB2 H -5.516 -0.419 4.417 1.00 . A A . 19 CYS HB2 1 1 9 2953 1 1 19 CYS HB3 H -3.827 -0.837 4.682 1.00 . A A . 19 CYS HB3 1 1 9 2954 1 1 19 CYS N N -4.283 1.825 4.199 1.00 . A A . 19 CYS N 1 1 9 2955 1 1 19 CYS O O -2.862 2.317 6.822 1.00 . A A . 19 CYS O 1 1 9 2956 1 1 19 CYS SG S -5.173 -1.374 6.562 1.00 . A A . 19 CYS SG 1 1 9 2957 1 1 20 HIS C C -0.208 1.262 6.841 1.00 . A A . 20 HIS C 1 1 9 2958 1 1 20 HIS CA C -1.175 0.181 7.315 1.00 . A A . 20 HIS CA 1 1 9 2959 1 1 20 HIS CB C -0.479 -1.182 7.298 1.00 . A A . 20 HIS CB 1 1 9 2960 1 1 20 HIS CD2 C -0.579 -2.553 9.483 1.00 . A A . 20 HIS CD2 1 1 9 2961 1 1 20 HIS CE1 C -2.446 -3.596 9.068 1.00 . A A . 20 HIS CE1 1 1 9 2962 1 1 20 HIS CG C -1.054 -2.160 8.275 1.00 . A A . 20 HIS CG 1 1 9 2963 1 1 20 HIS H H -2.646 -0.700 6.077 1.00 . A A . 20 HIS H 1 1 9 2964 1 1 20 HIS HA H -1.474 0.406 8.328 1.00 . A A . 20 HIS HA 1 1 9 2965 1 1 20 HIS HB2 H -0.563 -1.609 6.311 1.00 . A A . 20 HIS HB2 1 1 9 2966 1 1 20 HIS HB3 H 0.566 -1.046 7.538 1.00 . A A . 20 HIS HB3 1 1 9 2967 1 1 20 HIS HD2 H 0.326 -2.213 9.963 1.00 . A A . 20 HIS HD2 1 1 9 2968 1 1 20 HIS HE1 H -3.300 -4.249 9.176 1.00 . A A . 20 HIS HE1 1 1 9 2969 1 1 20 HIS HE2 H -1.497 -3.800 10.902 1.00 . A A . 20 HIS HE2 1 1 9 2970 1 1 20 HIS N N -2.384 0.144 6.494 1.00 . A A . 20 HIS N 1 1 9 2971 1 1 20 HIS ND1 N -2.231 -2.821 8.020 1.00 . A A . 20 HIS ND1 1 1 9 2972 1 1 20 HIS NE2 N -1.472 -3.467 9.981 1.00 . A A . 20 HIS NE2 1 1 9 2973 1 1 20 HIS O O 0.226 2.106 7.627 1.00 . A A . 20 HIS O 1 1 9 2974 1 1 21 GLY C C 0.713 3.635 5.411 1.00 . A A . 21 GLY C 1 1 9 2975 1 1 21 GLY CA C 1.051 2.213 5.003 1.00 . A A . 21 GLY CA 1 1 9 2976 1 1 21 GLY H H -0.242 0.534 4.977 1.00 . A A . 21 GLY H 1 1 9 2977 1 1 21 GLY HA2 H 2.051 1.982 5.343 1.00 . A A . 21 GLY HA2 1 1 9 2978 1 1 21 GLY HA3 H 1.027 2.144 3.926 1.00 . A A . 21 GLY HA3 1 1 9 2979 1 1 21 GLY N N 0.132 1.231 5.556 1.00 . A A . 21 GLY N 1 1 9 2980 1 1 21 GLY O O 1.594 4.491 5.490 1.00 . A A . 21 GLY O 1 1 9 2981 1 1 22 ARG C C -2.511 5.212 6.381 1.00 . A A . 22 ARG C 1 1 9 2982 1 1 22 ARG CA C -1.017 5.214 6.074 1.00 . A A . 22 ARG CA 1 1 9 2983 1 1 22 ARG CB C -0.707 6.236 4.976 1.00 . A A . 22 ARG CB 1 1 9 2984 1 1 22 ARG CD C 0.116 8.497 5.704 1.00 . A A . 22 ARG CD 1 1 9 2985 1 1 22 ARG CG C 0.513 7.094 5.271 1.00 . A A . 22 ARG CG 1 1 9 2986 1 1 22 ARG CZ C 2.150 9.825 5.289 1.00 . A A . 22 ARG CZ 1 1 9 2987 1 1 22 ARG H H -1.223 3.164 5.590 1.00 . A A . 22 ARG H 1 1 9 2988 1 1 22 ARG HA H -0.478 5.489 6.969 1.00 . A A . 22 ARG HA 1 1 9 2989 1 1 22 ARG HB2 H -0.535 5.709 4.050 1.00 . A A . 22 ARG HB2 1 1 9 2990 1 1 22 ARG HB3 H -1.560 6.888 4.855 1.00 . A A . 22 ARG HB3 1 1 9 2991 1 1 22 ARG HD2 H -0.360 8.995 4.873 1.00 . A A . 22 ARG HD2 1 1 9 2992 1 1 22 ARG HD3 H -0.580 8.423 6.525 1.00 . A A . 22 ARG HD3 1 1 9 2993 1 1 22 ARG HE H 1.398 9.419 7.092 1.00 . A A . 22 ARG HE 1 1 9 2994 1 1 22 ARG HG2 H 1.082 6.631 6.063 1.00 . A A . 22 ARG HG2 1 1 9 2995 1 1 22 ARG HG3 H 1.118 7.159 4.379 1.00 . A A . 22 ARG HG3 1 1 9 2996 1 1 22 ARG HH11 H 1.244 9.136 3.618 1.00 . A A . 22 ARG HH11 1 1 9 2997 1 1 22 ARG HH12 H 2.675 10.073 3.352 1.00 . A A . 22 ARG HH12 1 1 9 2998 1 1 22 ARG HH21 H 3.281 10.651 6.746 1.00 . A A . 22 ARG HH21 1 1 9 2999 1 1 22 ARG HH22 H 3.833 10.933 5.128 1.00 . A A . 22 ARG HH22 1 1 9 3000 1 1 22 ARG N N -0.566 3.887 5.671 1.00 . A A . 22 ARG N 1 1 9 3001 1 1 22 ARG NE N 1.271 9.285 6.130 1.00 . A A . 22 ARG NE 1 1 9 3002 1 1 22 ARG NH1 N 2.012 9.665 3.978 1.00 . A A . 22 ARG NH1 1 1 9 3003 1 1 22 ARG NH2 N 3.172 10.527 5.759 1.00 . A A . 22 ARG NH2 1 1 9 3004 1 1 22 ARG O O -3.289 4.738 5.528 1.00 . A A . 22 ARG O 1 1 9 3005 1 1 22 ARG OXT O -2.890 5.686 7.473 1.00 . A A . 22 ARG OXT 1 1 9 3006 2 2 1 ZN ZN ZN -3.553 -3.080 6.508 1.00 . B A . 23 ZN ZN 1 1 10 3007 1 1 1 LYS C C 8.507 -3.067 0.730 1.00 . A A . 1 LYS C 1 1 10 3008 1 1 1 LYS CA C 9.616 -2.521 1.624 1.00 . A A . 1 LYS CA 1 1 10 3009 1 1 1 LYS CB C 10.169 -1.217 1.045 1.00 . A A . 1 LYS CB 1 1 10 3010 1 1 1 LYS CD C 11.904 -0.338 2.636 1.00 . A A . 1 LYS CD 1 1 10 3011 1 1 1 LYS CE C 12.386 0.923 3.335 1.00 . A A . 1 LYS CE 1 1 10 3012 1 1 1 LYS CG C 10.491 -0.172 2.101 1.00 . A A . 1 LYS CG 1 1 10 3013 1 1 1 LYS H1 H 10.391 -4.299 2.312 1.00 . A A . 1 LYS H1 1 1 10 3014 1 1 1 LYS H2 H 11.521 -3.011 2.226 1.00 . A A . 1 LYS H2 1 1 10 3015 1 1 1 LYS H3 H 11.001 -3.795 0.792 1.00 . A A . 1 LYS H3 1 1 10 3016 1 1 1 LYS HA H 9.213 -2.331 2.608 1.00 . A A . 1 LYS HA 1 1 10 3017 1 1 1 LYS HB2 H 11.074 -1.435 0.497 1.00 . A A . 1 LYS HB2 1 1 10 3018 1 1 1 LYS HB3 H 9.440 -0.800 0.366 1.00 . A A . 1 LYS HB3 1 1 10 3019 1 1 1 LYS HD2 H 11.918 -1.155 3.341 1.00 . A A . 1 LYS HD2 1 1 10 3020 1 1 1 LYS HD3 H 12.567 -0.558 1.813 1.00 . A A . 1 LYS HD3 1 1 10 3021 1 1 1 LYS HE2 H 12.376 1.738 2.628 1.00 . A A . 1 LYS HE2 1 1 10 3022 1 1 1 LYS HE3 H 11.713 1.147 4.150 1.00 . A A . 1 LYS HE3 1 1 10 3023 1 1 1 LYS HG2 H 10.397 0.810 1.662 1.00 . A A . 1 LYS HG2 1 1 10 3024 1 1 1 LYS HG3 H 9.792 -0.273 2.918 1.00 . A A . 1 LYS HG3 1 1 10 3025 1 1 1 LYS HZ1 H 14.425 0.534 3.105 1.00 . A A . 1 LYS HZ1 1 1 10 3026 1 1 1 LYS HZ2 H 13.789 0.003 4.579 1.00 . A A . 1 LYS HZ2 1 1 10 3027 1 1 1 LYS HZ3 H 14.074 1.652 4.326 1.00 . A A . 1 LYS HZ3 1 1 10 3028 1 1 1 LYS N N 10.733 -3.494 1.750 1.00 . A A . 1 LYS N 1 1 10 3029 1 1 1 LYS NZ N 13.765 0.768 3.874 1.00 . A A . 1 LYS NZ 1 1 10 3030 1 1 1 LYS O O 8.759 -3.873 -0.167 1.00 . A A . 1 LYS O 1 1 10 3031 1 1 2 VAL C C 5.582 -1.939 -0.662 1.00 . A A . 2 VAL C 1 1 10 3032 1 1 2 VAL CA C 6.131 -3.068 0.199 1.00 . A A . 2 VAL CA 1 1 10 3033 1 1 2 VAL CB C 4.997 -3.592 1.106 1.00 . A A . 2 VAL CB 1 1 10 3034 1 1 2 VAL CG1 C 4.444 -2.472 1.978 1.00 . A A . 2 VAL CG1 1 1 10 3035 1 1 2 VAL CG2 C 3.890 -4.218 0.270 1.00 . A A . 2 VAL CG2 1 1 10 3036 1 1 2 VAL H H 7.142 -1.983 1.709 1.00 . A A . 2 VAL H 1 1 10 3037 1 1 2 VAL HA H 6.454 -3.876 -0.443 1.00 . A A . 2 VAL HA 1 1 10 3038 1 1 2 VAL HB H 5.405 -4.355 1.753 1.00 . A A . 2 VAL HB 1 1 10 3039 1 1 2 VAL HG11 H 5.262 -1.903 2.395 1.00 . A A . 2 VAL HG11 1 1 10 3040 1 1 2 VAL HG12 H 3.856 -2.896 2.779 1.00 . A A . 2 VAL HG12 1 1 10 3041 1 1 2 VAL HG13 H 3.821 -1.820 1.380 1.00 . A A . 2 VAL HG13 1 1 10 3042 1 1 2 VAL HG21 H 3.536 -5.114 0.756 1.00 . A A . 2 VAL HG21 1 1 10 3043 1 1 2 VAL HG22 H 4.273 -4.465 -0.709 1.00 . A A . 2 VAL HG22 1 1 10 3044 1 1 2 VAL HG23 H 3.073 -3.515 0.171 1.00 . A A . 2 VAL HG23 1 1 10 3045 1 1 2 VAL N N 7.279 -2.625 0.981 1.00 . A A . 2 VAL N 1 1 10 3046 1 1 2 VAL O O 5.559 -0.782 -0.242 1.00 . A A . 2 VAL O 1 1 10 3047 1 1 3 GLY C C 3.373 -0.589 -2.105 1.00 . A A . 3 GLY C 1 1 10 3048 1 1 3 GLY CA C 4.561 -1.279 -2.742 1.00 . A A . 3 GLY CA 1 1 10 3049 1 1 3 GLY H H 5.151 -3.220 -2.139 1.00 . A A . 3 GLY H 1 1 10 3050 1 1 3 GLY HA2 H 5.319 -0.544 -2.969 1.00 . A A . 3 GLY HA2 1 1 10 3051 1 1 3 GLY HA3 H 4.242 -1.754 -3.658 1.00 . A A . 3 GLY HA3 1 1 10 3052 1 1 3 GLY N N 5.123 -2.282 -1.860 1.00 . A A . 3 GLY N 1 1 10 3053 1 1 3 GLY O O 2.261 -1.109 -2.129 1.00 . A A . 3 GLY O 1 1 10 3054 1 1 4 ARG C C 1.296 1.429 -1.671 1.00 . A A . 4 ARG C 1 1 10 3055 1 1 4 ARG CA C 2.570 1.327 -0.834 1.00 . A A . 4 ARG CA 1 1 10 3056 1 1 4 ARG CB C 3.069 2.725 -0.487 1.00 . A A . 4 ARG CB 1 1 10 3057 1 1 4 ARG CD C 3.110 4.561 1.220 1.00 . A A . 4 ARG CD 1 1 10 3058 1 1 4 ARG CG C 2.405 3.302 0.749 1.00 . A A . 4 ARG CG 1 1 10 3059 1 1 4 ARG CZ C 3.394 5.808 3.326 1.00 . A A . 4 ARG CZ 1 1 10 3060 1 1 4 ARG H H 4.533 0.920 -1.500 1.00 . A A . 4 ARG H 1 1 10 3061 1 1 4 ARG HA H 2.339 0.811 0.083 1.00 . A A . 4 ARG HA 1 1 10 3062 1 1 4 ARG HB2 H 4.135 2.685 -0.313 1.00 . A A . 4 ARG HB2 1 1 10 3063 1 1 4 ARG HB3 H 2.870 3.385 -1.318 1.00 . A A . 4 ARG HB3 1 1 10 3064 1 1 4 ARG HD2 H 4.134 4.531 0.880 1.00 . A A . 4 ARG HD2 1 1 10 3065 1 1 4 ARG HD3 H 2.612 5.418 0.790 1.00 . A A . 4 ARG HD3 1 1 10 3066 1 1 4 ARG HE H 2.856 3.890 3.195 1.00 . A A . 4 ARG HE 1 1 10 3067 1 1 4 ARG HG2 H 1.379 3.538 0.514 1.00 . A A . 4 ARG HG2 1 1 10 3068 1 1 4 ARG HG3 H 2.436 2.563 1.538 1.00 . A A . 4 ARG HG3 1 1 10 3069 1 1 4 ARG HH11 H 3.753 6.890 1.656 1.00 . A A . 4 ARG HH11 1 1 10 3070 1 1 4 ARG HH12 H 3.947 7.745 3.149 1.00 . A A . 4 ARG HH12 1 1 10 3071 1 1 4 ARG HH21 H 3.110 5.012 5.162 1.00 . A A . 4 ARG HH21 1 1 10 3072 1 1 4 ARG HH22 H 3.581 6.678 5.140 1.00 . A A . 4 ARG HH22 1 1 10 3073 1 1 4 ARG N N 3.618 0.571 -1.507 1.00 . A A . 4 ARG N 1 1 10 3074 1 1 4 ARG NE N 3.098 4.685 2.675 1.00 . A A . 4 ARG NE 1 1 10 3075 1 1 4 ARG NH1 N 3.725 6.905 2.655 1.00 . A A . 4 ARG NH1 1 1 10 3076 1 1 4 ARG NH2 N 3.359 5.835 4.651 1.00 . A A . 4 ARG NH2 1 1 10 3077 1 1 4 ARG O O 0.197 1.546 -1.129 1.00 . A A . 4 ARG O 1 1 10 3078 1 1 5 ASN C C -0.364 0.135 -4.116 1.00 . A A . 5 ASN C 1 1 10 3079 1 1 5 ASN CA C 0.299 1.495 -3.887 1.00 . A A . 5 ASN CA 1 1 10 3080 1 1 5 ASN CB C 0.726 2.096 -5.227 1.00 . A A . 5 ASN CB 1 1 10 3081 1 1 5 ASN CG C -0.403 2.836 -5.916 1.00 . A A . 5 ASN CG 1 1 10 3082 1 1 5 ASN H H 2.344 1.306 -3.368 1.00 . A A . 5 ASN H 1 1 10 3083 1 1 5 ASN HA H -0.419 2.156 -3.423 1.00 . A A . 5 ASN HA 1 1 10 3084 1 1 5 ASN HB2 H 1.537 2.789 -5.061 1.00 . A A . 5 ASN HB2 1 1 10 3085 1 1 5 ASN HB3 H 1.063 1.302 -5.879 1.00 . A A . 5 ASN HB3 1 1 10 3086 1 1 5 ASN HD21 H 0.030 4.491 -4.901 1.00 . A A . 5 ASN HD21 1 1 10 3087 1 1 5 ASN HD22 H -1.297 4.610 -6.001 1.00 . A A . 5 ASN HD22 1 1 10 3088 1 1 5 ASN N N 1.445 1.394 -2.989 1.00 . A A . 5 ASN N 1 1 10 3089 1 1 5 ASN ND2 N -0.574 4.107 -5.571 1.00 . A A . 5 ASN ND2 1 1 10 3090 1 1 5 ASN O O -1.342 0.030 -4.857 1.00 . A A . 5 ASN O 1 1 10 3091 1 1 5 ASN OD1 O -1.115 2.272 -6.747 1.00 . A A . 5 ASN OD1 1 1 10 3092 1 1 6 ASP C C -1.207 -2.623 -2.402 1.00 . A A . 6 ASP C 1 1 10 3093 1 1 6 ASP CA C -0.364 -2.251 -3.620 1.00 . A A . 6 ASP CA 1 1 10 3094 1 1 6 ASP CB C 0.784 -3.252 -3.797 1.00 . A A . 6 ASP CB 1 1 10 3095 1 1 6 ASP CG C 0.319 -4.697 -3.766 1.00 . A A . 6 ASP CG 1 1 10 3096 1 1 6 ASP H H 0.951 -0.760 -2.907 1.00 . A A . 6 ASP H 1 1 10 3097 1 1 6 ASP HA H -0.989 -2.273 -4.500 1.00 . A A . 6 ASP HA 1 1 10 3098 1 1 6 ASP HB2 H 1.266 -3.073 -4.747 1.00 . A A . 6 ASP HB2 1 1 10 3099 1 1 6 ASP HB3 H 1.503 -3.108 -3.004 1.00 . A A . 6 ASP HB3 1 1 10 3100 1 1 6 ASP N N 0.173 -0.903 -3.482 1.00 . A A . 6 ASP N 1 1 10 3101 1 1 6 ASP O O -0.905 -2.214 -1.281 1.00 . A A . 6 ASP O 1 1 10 3102 1 1 6 ASP OD1 O 0.101 -5.226 -2.656 1.00 . A A . 6 ASP OD1 1 1 10 3103 1 1 6 ASP OD2 O 0.175 -5.297 -4.852 1.00 . A A . 6 ASP OD2 1 1 10 3104 1 1 7 PRO C C -2.401 -4.297 -0.284 1.00 . A A . 7 PRO C 1 1 10 3105 1 1 7 PRO CA C -3.166 -3.841 -1.523 1.00 . A A . 7 PRO CA 1 1 10 3106 1 1 7 PRO CB C -3.951 -5.016 -2.136 1.00 . A A . 7 PRO CB 1 1 10 3107 1 1 7 PRO CD C -2.719 -3.948 -3.893 1.00 . A A . 7 PRO CD 1 1 10 3108 1 1 7 PRO CG C -3.358 -5.244 -3.491 1.00 . A A . 7 PRO CG 1 1 10 3109 1 1 7 PRO HA H -3.855 -3.057 -1.245 1.00 . A A . 7 PRO HA 1 1 10 3110 1 1 7 PRO HB2 H -3.841 -5.888 -1.510 1.00 . A A . 7 PRO HB2 1 1 10 3111 1 1 7 PRO HB3 H -4.996 -4.752 -2.207 1.00 . A A . 7 PRO HB3 1 1 10 3112 1 1 7 PRO HD2 H -1.883 -4.123 -4.553 1.00 . A A . 7 PRO HD2 1 1 10 3113 1 1 7 PRO HD3 H -3.443 -3.295 -4.358 1.00 . A A . 7 PRO HD3 1 1 10 3114 1 1 7 PRO HG2 H -2.615 -6.027 -3.440 1.00 . A A . 7 PRO HG2 1 1 10 3115 1 1 7 PRO HG3 H -4.136 -5.512 -4.192 1.00 . A A . 7 PRO HG3 1 1 10 3116 1 1 7 PRO N N -2.279 -3.410 -2.604 1.00 . A A . 7 PRO N 1 1 10 3117 1 1 7 PRO O O -1.608 -5.237 -0.342 1.00 . A A . 7 PRO O 1 1 10 3118 1 1 8 CYS C C -1.822 -5.437 2.301 1.00 . A A . 8 CYS C 1 1 10 3119 1 1 8 CYS CA C -1.998 -3.928 2.110 1.00 . A A . 8 CYS CA 1 1 10 3120 1 1 8 CYS CB C -2.821 -3.355 3.264 1.00 . A A . 8 CYS CB 1 1 10 3121 1 1 8 CYS H H -3.288 -2.876 0.805 1.00 . A A . 8 CYS H 1 1 10 3122 1 1 8 CYS HA H -1.026 -3.459 2.107 1.00 . A A . 8 CYS HA 1 1 10 3123 1 1 8 CYS HB2 H -3.344 -2.474 2.921 1.00 . A A . 8 CYS HB2 1 1 10 3124 1 1 8 CYS HB3 H -3.543 -4.093 3.581 1.00 . A A . 8 CYS HB3 1 1 10 3125 1 1 8 CYS N N -2.648 -3.616 0.836 1.00 . A A . 8 CYS N 1 1 10 3126 1 1 8 CYS O O -2.742 -6.213 2.039 1.00 . A A . 8 CYS O 1 1 10 3127 1 1 8 CYS SG S -1.846 -2.884 4.711 1.00 . A A . 8 CYS SG 1 1 10 3128 1 1 9 PRO C C -1.308 -7.930 3.993 1.00 . A A . 9 PRO C 1 1 10 3129 1 1 9 PRO CA C -0.351 -7.296 2.989 1.00 . A A . 9 PRO CA 1 1 10 3130 1 1 9 PRO CB C 1.083 -7.302 3.539 1.00 . A A . 9 PRO CB 1 1 10 3131 1 1 9 PRO CD C 0.518 -5.026 3.104 1.00 . A A . 9 PRO CD 1 1 10 3132 1 1 9 PRO CG C 1.328 -5.909 4.007 1.00 . A A . 9 PRO CG 1 1 10 3133 1 1 9 PRO HA H -0.385 -7.853 2.065 1.00 . A A . 9 PRO HA 1 1 10 3134 1 1 9 PRO HB2 H 1.154 -8.010 4.352 1.00 . A A . 9 PRO HB2 1 1 10 3135 1 1 9 PRO HB3 H 1.769 -7.580 2.753 1.00 . A A . 9 PRO HB3 1 1 10 3136 1 1 9 PRO HD2 H 0.205 -4.135 3.628 1.00 . A A . 9 PRO HD2 1 1 10 3137 1 1 9 PRO HD3 H 1.082 -4.769 2.220 1.00 . A A . 9 PRO HD3 1 1 10 3138 1 1 9 PRO HG2 H 1.001 -5.802 5.030 1.00 . A A . 9 PRO HG2 1 1 10 3139 1 1 9 PRO HG3 H 2.378 -5.672 3.919 1.00 . A A . 9 PRO HG3 1 1 10 3140 1 1 9 PRO N N -0.636 -5.874 2.764 1.00 . A A . 9 PRO N 1 1 10 3141 1 1 9 PRO O O -1.542 -9.138 3.964 1.00 . A A . 9 PRO O 1 1 10 3142 1 1 10 CYS C C -3.989 -8.284 5.251 1.00 . A A . 10 CYS C 1 1 10 3143 1 1 10 CYS CA C -2.789 -7.595 5.897 1.00 . A A . 10 CYS CA 1 1 10 3144 1 1 10 CYS CB C -3.260 -6.441 6.785 1.00 . A A . 10 CYS CB 1 1 10 3145 1 1 10 CYS H H -1.633 -6.156 4.859 1.00 . A A . 10 CYS H 1 1 10 3146 1 1 10 CYS HA H -2.264 -8.314 6.508 1.00 . A A . 10 CYS HA 1 1 10 3147 1 1 10 CYS HB2 H -3.840 -6.840 7.603 1.00 . A A . 10 CYS HB2 1 1 10 3148 1 1 10 CYS HB3 H -2.397 -5.927 7.181 1.00 . A A . 10 CYS HB3 1 1 10 3149 1 1 10 CYS N N -1.858 -7.109 4.883 1.00 . A A . 10 CYS N 1 1 10 3150 1 1 10 CYS O O -4.468 -9.306 5.742 1.00 . A A . 10 CYS O 1 1 10 3151 1 1 10 CYS SG S -4.286 -5.218 5.934 1.00 . A A . 10 CYS SG 1 1 10 3152 1 1 11 GLY C C -6.927 -7.726 3.928 1.00 . A A . 11 GLY C 1 1 10 3153 1 1 11 GLY CA C -5.604 -8.295 3.453 1.00 . A A . 11 GLY CA 1 1 10 3154 1 1 11 GLY H H -4.044 -6.906 3.801 1.00 . A A . 11 GLY H 1 1 10 3155 1 1 11 GLY HA2 H -5.502 -8.101 2.395 1.00 . A A . 11 GLY HA2 1 1 10 3156 1 1 11 GLY HA3 H -5.606 -9.362 3.613 1.00 . A A . 11 GLY HA3 1 1 10 3157 1 1 11 GLY N N -4.467 -7.719 4.147 1.00 . A A . 11 GLY N 1 1 10 3158 1 1 11 GLY O O -7.899 -8.460 4.100 1.00 . A A . 11 GLY O 1 1 10 3159 1 1 12 SER C C -9.024 -5.289 3.414 1.00 . A A . 12 SER C 1 1 10 3160 1 1 12 SER CA C -8.177 -5.749 4.598 1.00 . A A . 12 SER CA 1 1 10 3161 1 1 12 SER CB C -7.825 -4.553 5.485 1.00 . A A . 12 SER CB 1 1 10 3162 1 1 12 SER H H -6.156 -5.883 3.986 1.00 . A A . 12 SER H 1 1 10 3163 1 1 12 SER HA H -8.748 -6.460 5.178 1.00 . A A . 12 SER HA 1 1 10 3164 1 1 12 SER HB2 H -6.774 -4.326 5.381 1.00 . A A . 12 SER HB2 1 1 10 3165 1 1 12 SER HB3 H -8.409 -3.696 5.182 1.00 . A A . 12 SER HB3 1 1 10 3166 1 1 12 SER HG H -9.037 -4.724 7.015 1.00 . A A . 12 SER HG 1 1 10 3167 1 1 12 SER N N -6.964 -6.415 4.141 1.00 . A A . 12 SER N 1 1 10 3168 1 1 12 SER O O -10.247 -5.429 3.421 1.00 . A A . 12 SER O 1 1 10 3169 1 1 12 SER OG O -8.098 -4.830 6.848 1.00 . A A . 12 SER OG 1 1 10 3170 1 1 13 GLY C C -8.429 -3.029 0.627 1.00 . A A . 13 GLY C 1 1 10 3171 1 1 13 GLY CA C -9.069 -4.266 1.225 1.00 . A A . 13 GLY CA 1 1 10 3172 1 1 13 GLY H H -7.389 -4.653 2.453 1.00 . A A . 13 GLY H 1 1 10 3173 1 1 13 GLY HA2 H -9.077 -5.050 0.482 1.00 . A A . 13 GLY HA2 1 1 10 3174 1 1 13 GLY HA3 H -10.088 -4.033 1.498 1.00 . A A . 13 GLY HA3 1 1 10 3175 1 1 13 GLY N N -8.364 -4.739 2.401 1.00 . A A . 13 GLY N 1 1 10 3176 1 1 13 GLY O O -8.391 -2.869 -0.594 1.00 . A A . 13 GLY O 1 1 10 3177 1 1 14 LYS C C -5.782 -1.142 0.838 1.00 . A A . 14 LYS C 1 1 10 3178 1 1 14 LYS CA C -7.277 -0.924 1.041 1.00 . A A . 14 LYS CA 1 1 10 3179 1 1 14 LYS CB C -7.507 0.197 2.057 1.00 . A A . 14 LYS CB 1 1 10 3180 1 1 14 LYS CD C -9.002 -0.338 4.009 1.00 . A A . 14 LYS CD 1 1 10 3181 1 1 14 LYS CE C -10.271 -1.151 4.207 1.00 . A A . 14 LYS CE 1 1 10 3182 1 1 14 LYS CG C -8.924 0.245 2.605 1.00 . A A . 14 LYS CG 1 1 10 3183 1 1 14 LYS H H -7.982 -2.339 2.449 1.00 . A A . 14 LYS H 1 1 10 3184 1 1 14 LYS HA H -7.720 -0.641 0.098 1.00 . A A . 14 LYS HA 1 1 10 3185 1 1 14 LYS HB2 H -6.826 0.060 2.886 1.00 . A A . 14 LYS HB2 1 1 10 3186 1 1 14 LYS HB3 H -7.295 1.144 1.584 1.00 . A A . 14 LYS HB3 1 1 10 3187 1 1 14 LYS HD2 H -8.148 -0.979 4.169 1.00 . A A . 14 LYS HD2 1 1 10 3188 1 1 14 LYS HD3 H -8.987 0.471 4.724 1.00 . A A . 14 LYS HD3 1 1 10 3189 1 1 14 LYS HE2 H -10.940 -0.961 3.381 1.00 . A A . 14 LYS HE2 1 1 10 3190 1 1 14 LYS HE3 H -10.013 -2.200 4.224 1.00 . A A . 14 LYS HE3 1 1 10 3191 1 1 14 LYS HG2 H -9.254 1.273 2.635 1.00 . A A . 14 LYS HG2 1 1 10 3192 1 1 14 LYS HG3 H -9.571 -0.324 1.953 1.00 . A A . 14 LYS HG3 1 1 10 3193 1 1 14 LYS HZ1 H -11.844 -1.344 5.568 1.00 . A A . 14 LYS HZ1 1 1 10 3194 1 1 14 LYS HZ2 H -11.190 0.214 5.494 1.00 . A A . 14 LYS HZ2 1 1 10 3195 1 1 14 LYS HZ3 H -10.348 -1.019 6.291 1.00 . A A . 14 LYS HZ3 1 1 10 3196 1 1 14 LYS N N -7.922 -2.153 1.489 1.00 . A A . 14 LYS N 1 1 10 3197 1 1 14 LYS NZ N -10.961 -0.801 5.479 1.00 . A A . 14 LYS NZ 1 1 10 3198 1 1 14 LYS O O -5.220 -2.131 1.309 1.00 . A A . 14 LYS O 1 1 10 3199 1 1 15 LYS C C -2.915 -0.020 1.148 1.00 . A A . 15 LYS C 1 1 10 3200 1 1 15 LYS CA C -3.707 -0.309 -0.120 1.00 . A A . 15 LYS CA 1 1 10 3201 1 1 15 LYS CB C -3.288 0.665 -1.224 1.00 . A A . 15 LYS CB 1 1 10 3202 1 1 15 LYS CD C -4.060 -0.659 -3.216 1.00 . A A . 15 LYS CD 1 1 10 3203 1 1 15 LYS CE C -5.141 -1.653 -2.830 1.00 . A A . 15 LYS CE 1 1 10 3204 1 1 15 LYS CG C -4.198 0.641 -2.441 1.00 . A A . 15 LYS CG 1 1 10 3205 1 1 15 LYS H H -5.639 0.556 -0.211 1.00 . A A . 15 LYS H 1 1 10 3206 1 1 15 LYS HA H -3.495 -1.317 -0.441 1.00 . A A . 15 LYS HA 1 1 10 3207 1 1 15 LYS HB2 H -3.287 1.667 -0.823 1.00 . A A . 15 LYS HB2 1 1 10 3208 1 1 15 LYS HB3 H -2.287 0.415 -1.546 1.00 . A A . 15 LYS HB3 1 1 10 3209 1 1 15 LYS HD2 H -4.139 -0.447 -4.272 1.00 . A A . 15 LYS HD2 1 1 10 3210 1 1 15 LYS HD3 H -3.092 -1.091 -3.005 1.00 . A A . 15 LYS HD3 1 1 10 3211 1 1 15 LYS HE2 H -4.777 -2.652 -3.014 1.00 . A A . 15 LYS HE2 1 1 10 3212 1 1 15 LYS HE3 H -5.358 -1.538 -1.778 1.00 . A A . 15 LYS HE3 1 1 10 3213 1 1 15 LYS HG2 H -5.221 0.747 -2.115 1.00 . A A . 15 LYS HG2 1 1 10 3214 1 1 15 LYS HG3 H -3.936 1.465 -3.088 1.00 . A A . 15 LYS HG3 1 1 10 3215 1 1 15 LYS HZ1 H -6.220 -1.624 -4.618 1.00 . A A . 15 LYS HZ1 1 1 10 3216 1 1 15 LYS HZ2 H -6.724 -0.464 -3.496 1.00 . A A . 15 LYS HZ2 1 1 10 3217 1 1 15 LYS HZ3 H -7.135 -2.089 -3.274 1.00 . A A . 15 LYS HZ3 1 1 10 3218 1 1 15 LYS N N -5.139 -0.212 0.138 1.00 . A A . 15 LYS N 1 1 10 3219 1 1 15 LYS NZ N -6.392 -1.444 -3.609 1.00 . A A . 15 LYS NZ 1 1 10 3220 1 1 15 LYS O O -3.489 0.214 2.211 1.00 . A A . 15 LYS O 1 1 10 3221 1 1 16 TYR C C -1.010 1.594 2.773 1.00 . A A . 16 TYR C 1 1 10 3222 1 1 16 TYR CA C -0.722 0.223 2.167 1.00 . A A . 16 TYR CA 1 1 10 3223 1 1 16 TYR CB C 0.742 0.137 1.735 1.00 . A A . 16 TYR CB 1 1 10 3224 1 1 16 TYR CD1 C 1.263 -1.445 3.634 1.00 . A A . 16 TYR CD1 1 1 10 3225 1 1 16 TYR CD2 C 2.943 0.110 2.967 1.00 . A A . 16 TYR CD2 1 1 10 3226 1 1 16 TYR CE1 C 2.104 -1.942 4.612 1.00 . A A . 16 TYR CE1 1 1 10 3227 1 1 16 TYR CE2 C 3.791 -0.383 3.940 1.00 . A A . 16 TYR CE2 1 1 10 3228 1 1 16 TYR CG C 1.667 -0.412 2.798 1.00 . A A . 16 TYR CG 1 1 10 3229 1 1 16 TYR CZ C 3.366 -1.408 4.761 1.00 . A A . 16 TYR CZ 1 1 10 3230 1 1 16 TYR H H -1.192 -0.232 0.156 1.00 . A A . 16 TYR H 1 1 10 3231 1 1 16 TYR HA H -0.915 -0.533 2.911 1.00 . A A . 16 TYR HA 1 1 10 3232 1 1 16 TYR HB2 H 0.818 -0.503 0.869 1.00 . A A . 16 TYR HB2 1 1 10 3233 1 1 16 TYR HB3 H 1.087 1.126 1.475 1.00 . A A . 16 TYR HB3 1 1 10 3234 1 1 16 TYR HD1 H 0.274 -1.863 3.513 1.00 . A A . 16 TYR HD1 1 1 10 3235 1 1 16 TYR HD2 H 3.275 0.909 2.319 1.00 . A A . 16 TYR HD2 1 1 10 3236 1 1 16 TYR HE1 H 1.770 -2.745 5.251 1.00 . A A . 16 TYR HE1 1 1 10 3237 1 1 16 TYR HE2 H 4.780 0.035 4.058 1.00 . A A . 16 TYR HE2 1 1 10 3238 1 1 16 TYR HH H 3.721 -2.000 6.556 1.00 . A A . 16 TYR HH 1 1 10 3239 1 1 16 TYR N N -1.593 -0.039 1.030 1.00 . A A . 16 TYR N 1 1 10 3240 1 1 16 TYR O O -1.515 1.695 3.891 1.00 . A A . 16 TYR O 1 1 10 3241 1 1 16 TYR OH O 4.207 -1.900 5.732 1.00 . A A . 16 TYR OH 1 1 10 3242 1 1 17 LYS C C -2.388 4.242 2.859 1.00 . A A . 17 LYS C 1 1 10 3243 1 1 17 LYS CA C -0.921 4.014 2.490 1.00 . A A . 17 LYS CA 1 1 10 3244 1 1 17 LYS CB C -0.498 5.018 1.414 1.00 . A A . 17 LYS CB 1 1 10 3245 1 1 17 LYS CD C -1.631 5.795 -0.694 1.00 . A A . 17 LYS CD 1 1 10 3246 1 1 17 LYS CE C -1.687 5.576 -2.198 1.00 . A A . 17 LYS CE 1 1 10 3247 1 1 17 LYS CG C -0.950 4.634 0.013 1.00 . A A . 17 LYS CG 1 1 10 3248 1 1 17 LYS H H -0.297 2.504 1.142 1.00 . A A . 17 LYS H 1 1 10 3249 1 1 17 LYS HA H -0.315 4.170 3.370 1.00 . A A . 17 LYS HA 1 1 10 3250 1 1 17 LYS HB2 H -0.918 5.983 1.655 1.00 . A A . 17 LYS HB2 1 1 10 3251 1 1 17 LYS HB3 H 0.579 5.094 1.414 1.00 . A A . 17 LYS HB3 1 1 10 3252 1 1 17 LYS HD2 H -2.638 5.892 -0.318 1.00 . A A . 17 LYS HD2 1 1 10 3253 1 1 17 LYS HD3 H -1.080 6.702 -0.491 1.00 . A A . 17 LYS HD3 1 1 10 3254 1 1 17 LYS HE2 H -1.499 6.518 -2.692 1.00 . A A . 17 LYS HE2 1 1 10 3255 1 1 17 LYS HE3 H -0.919 4.867 -2.473 1.00 . A A . 17 LYS HE3 1 1 10 3256 1 1 17 LYS HG2 H -0.086 4.334 -0.563 1.00 . A A . 17 LYS HG2 1 1 10 3257 1 1 17 LYS HG3 H -1.643 3.809 0.082 1.00 . A A . 17 LYS HG3 1 1 10 3258 1 1 17 LYS HZ1 H -3.087 4.040 -2.412 1.00 . A A . 17 LYS HZ1 1 1 10 3259 1 1 17 LYS HZ2 H -3.122 5.179 -3.661 1.00 . A A . 17 LYS HZ2 1 1 10 3260 1 1 17 LYS HZ3 H -3.775 5.564 -2.149 1.00 . A A . 17 LYS HZ3 1 1 10 3261 1 1 17 LYS N N -0.693 2.647 2.026 1.00 . A A . 17 LYS N 1 1 10 3262 1 1 17 LYS NZ N -3.010 5.054 -2.635 1.00 . A A . 17 LYS NZ 1 1 10 3263 1 1 17 LYS O O -2.716 5.188 3.576 1.00 . A A . 17 LYS O 1 1 10 3264 1 1 18 GLN C C -5.075 2.727 3.897 1.00 . A A . 18 GLN C 1 1 10 3265 1 1 18 GLN CA C -4.693 3.488 2.636 1.00 . A A . 18 GLN CA 1 1 10 3266 1 1 18 GLN CB C -5.499 2.929 1.463 1.00 . A A . 18 GLN CB 1 1 10 3267 1 1 18 GLN CD C -5.808 4.535 -0.461 1.00 . A A . 18 GLN CD 1 1 10 3268 1 1 18 GLN CG C -4.998 3.382 0.102 1.00 . A A . 18 GLN CG 1 1 10 3269 1 1 18 GLN H H -2.947 2.645 1.792 1.00 . A A . 18 GLN H 1 1 10 3270 1 1 18 GLN HA H -4.932 4.531 2.764 1.00 . A A . 18 GLN HA 1 1 10 3271 1 1 18 GLN HB2 H -5.454 1.846 1.502 1.00 . A A . 18 GLN HB2 1 1 10 3272 1 1 18 GLN HB3 H -6.527 3.240 1.570 1.00 . A A . 18 GLN HB3 1 1 10 3273 1 1 18 GLN HE21 H -7.014 3.262 -1.398 1.00 . A A . 18 GLN HE21 1 1 10 3274 1 1 18 GLN HE22 H -7.378 4.938 -1.613 1.00 . A A . 18 GLN HE22 1 1 10 3275 1 1 18 GLN HG2 H -3.971 3.698 0.194 1.00 . A A . 18 GLN HG2 1 1 10 3276 1 1 18 GLN HG3 H -5.059 2.551 -0.585 1.00 . A A . 18 GLN HG3 1 1 10 3277 1 1 18 GLN N N -3.265 3.375 2.363 1.00 . A A . 18 GLN N 1 1 10 3278 1 1 18 GLN NE2 N -6.838 4.213 -1.236 1.00 . A A . 18 GLN NE2 1 1 10 3279 1 1 18 GLN O O -6.039 3.077 4.578 1.00 . A A . 18 GLN O 1 1 10 3280 1 1 18 GLN OE1 O -5.512 5.701 -0.203 1.00 . A A . 18 GLN OE1 1 1 10 3281 1 1 19 CYS C C -3.590 1.035 6.458 1.00 . A A . 19 CYS C 1 1 10 3282 1 1 19 CYS CA C -4.617 0.833 5.343 1.00 . A A . 19 CYS CA 1 1 10 3283 1 1 19 CYS CB C -4.669 -0.630 4.908 1.00 . A A . 19 CYS CB 1 1 10 3284 1 1 19 CYS H H -3.595 1.423 3.590 1.00 . A A . 19 CYS H 1 1 10 3285 1 1 19 CYS HA H -5.590 1.115 5.718 1.00 . A A . 19 CYS HA 1 1 10 3286 1 1 19 CYS HB2 H -5.306 -0.709 4.041 1.00 . A A . 19 CYS HB2 1 1 10 3287 1 1 19 CYS HB3 H -3.677 -0.957 4.639 1.00 . A A . 19 CYS HB3 1 1 10 3288 1 1 19 CYS N N -4.335 1.666 4.185 1.00 . A A . 19 CYS N 1 1 10 3289 1 1 19 CYS O O -3.810 1.829 7.373 1.00 . A A . 19 CYS O 1 1 10 3290 1 1 19 CYS SG S -5.301 -1.760 6.169 1.00 . A A . 19 CYS SG 1 1 10 3291 1 1 20 HIS C C -0.446 1.523 7.077 1.00 . A A . 20 HIS C 1 1 10 3292 1 1 20 HIS CA C -1.438 0.411 7.406 1.00 . A A . 20 HIS CA 1 1 10 3293 1 1 20 HIS CB C -0.703 -0.923 7.544 1.00 . A A . 20 HIS CB 1 1 10 3294 1 1 20 HIS CD2 C -1.263 -1.910 9.859 1.00 . A A . 20 HIS CD2 1 1 10 3295 1 1 20 HIS CE1 C -2.591 -3.495 9.171 1.00 . A A . 20 HIS CE1 1 1 10 3296 1 1 20 HIS CG C -1.355 -1.863 8.508 1.00 . A A . 20 HIS CG 1 1 10 3297 1 1 20 HIS H H -2.358 -0.313 5.643 1.00 . A A . 20 HIS H 1 1 10 3298 1 1 20 HIS HA H -1.918 0.643 8.344 1.00 . A A . 20 HIS HA 1 1 10 3299 1 1 20 HIS HB2 H -0.665 -1.407 6.582 1.00 . A A . 20 HIS HB2 1 1 10 3300 1 1 20 HIS HB3 H 0.304 -0.737 7.889 1.00 . A A . 20 HIS HB3 1 1 10 3301 1 1 20 HIS HD2 H -0.684 -1.255 10.490 1.00 . A A . 20 HIS HD2 1 1 10 3302 1 1 20 HIS HE1 H -3.265 -4.339 9.175 1.00 . A A . 20 HIS HE1 1 1 10 3303 1 1 20 HIS HE2 H -2.326 -3.133 11.198 1.00 . A A . 20 HIS HE2 1 1 10 3304 1 1 20 HIS N N -2.478 0.310 6.388 1.00 . A A . 20 HIS N 1 1 10 3305 1 1 20 HIS ND1 N -2.195 -2.864 8.080 1.00 . A A . 20 HIS ND1 1 1 10 3306 1 1 20 HIS NE2 N -2.054 -2.952 10.274 1.00 . A A . 20 HIS NE2 1 1 10 3307 1 1 20 HIS O O -0.165 2.382 7.912 1.00 . A A . 20 HIS O 1 1 10 3308 1 1 21 GLY C C 0.587 3.923 5.782 1.00 . A A . 21 GLY C 1 1 10 3309 1 1 21 GLY CA C 1.038 2.515 5.440 1.00 . A A . 21 GLY CA 1 1 10 3310 1 1 21 GLY H H -0.178 0.793 5.233 1.00 . A A . 21 GLY H 1 1 10 3311 1 1 21 GLY HA2 H 1.983 2.324 5.928 1.00 . A A . 21 GLY HA2 1 1 10 3312 1 1 21 GLY HA3 H 1.178 2.444 4.372 1.00 . A A . 21 GLY HA3 1 1 10 3313 1 1 21 GLY N N 0.082 1.502 5.857 1.00 . A A . 21 GLY N 1 1 10 3314 1 1 21 GLY O O 1.412 4.801 6.038 1.00 . A A . 21 GLY O 1 1 10 3315 1 1 22 ARG C C -0.840 6.492 5.084 1.00 . A A . 22 ARG C 1 1 10 3316 1 1 22 ARG CA C -1.286 5.447 6.102 1.00 . A A . 22 ARG CA 1 1 10 3317 1 1 22 ARG CB C -0.872 5.877 7.514 1.00 . A A . 22 ARG CB 1 1 10 3318 1 1 22 ARG CD C -1.682 5.606 9.878 1.00 . A A . 22 ARG CD 1 1 10 3319 1 1 22 ARG CG C -2.045 6.041 8.467 1.00 . A A . 22 ARG CG 1 1 10 3320 1 1 22 ARG CZ C -3.762 5.850 11.177 1.00 . A A . 22 ARG CZ 1 1 10 3321 1 1 22 ARG H H -1.330 3.397 5.577 1.00 . A A . 22 ARG H 1 1 10 3322 1 1 22 ARG HA H -2.362 5.362 6.064 1.00 . A A . 22 ARG HA 1 1 10 3323 1 1 22 ARG HB2 H -0.206 5.131 7.922 1.00 . A A . 22 ARG HB2 1 1 10 3324 1 1 22 ARG HB3 H -0.350 6.819 7.454 1.00 . A A . 22 ARG HB3 1 1 10 3325 1 1 22 ARG HD2 H -0.927 4.836 9.820 1.00 . A A . 22 ARG HD2 1 1 10 3326 1 1 22 ARG HD3 H -1.286 6.457 10.413 1.00 . A A . 22 ARG HD3 1 1 10 3327 1 1 22 ARG HE H -2.929 4.110 10.667 1.00 . A A . 22 ARG HE 1 1 10 3328 1 1 22 ARG HG2 H -2.337 7.080 8.486 1.00 . A A . 22 ARG HG2 1 1 10 3329 1 1 22 ARG HG3 H -2.870 5.439 8.115 1.00 . A A . 22 ARG HG3 1 1 10 3330 1 1 22 ARG HH11 H -2.906 7.600 10.632 1.00 . A A . 22 ARG HH11 1 1 10 3331 1 1 22 ARG HH12 H -4.370 7.743 11.545 1.00 . A A . 22 ARG HH12 1 1 10 3332 1 1 22 ARG HH21 H -4.855 4.296 11.867 1.00 . A A . 22 ARG HH21 1 1 10 3333 1 1 22 ARG HH22 H -5.476 5.868 12.247 1.00 . A A . 22 ARG HH22 1 1 10 3334 1 1 22 ARG N N -0.725 4.137 5.787 1.00 . A A . 22 ARG N 1 1 10 3335 1 1 22 ARG NE N -2.837 5.083 10.604 1.00 . A A . 22 ARG NE 1 1 10 3336 1 1 22 ARG NH1 N -3.671 7.172 11.113 1.00 . A A . 22 ARG NH1 1 1 10 3337 1 1 22 ARG NH2 N -4.782 5.292 11.816 1.00 . A A . 22 ARG NH2 1 1 10 3338 1 1 22 ARG O O 0.217 6.288 4.451 1.00 . A A . 22 ARG O 1 1 10 3339 1 1 22 ARG OXT O -1.552 7.506 4.927 1.00 . A A . 22 ARG OXT 1 1 10 3340 2 2 1 ZN ZN ZN -3.394 -3.106 6.470 1.00 . B A . 23 ZN ZN 1 1 11 3341 1 1 1 LYS C C 8.885 -2.072 0.808 1.00 . A A . 1 LYS C 1 1 11 3342 1 1 1 LYS CA C 9.876 -1.394 1.749 1.00 . A A . 1 LYS CA 1 1 11 3343 1 1 1 LYS CB C 9.702 0.125 1.694 1.00 . A A . 1 LYS CB 1 1 11 3344 1 1 1 LYS CD C 10.107 2.304 2.879 1.00 . A A . 1 LYS CD 1 1 11 3345 1 1 1 LYS CE C 8.816 3.078 3.092 1.00 . A A . 1 LYS CE 1 1 11 3346 1 1 1 LYS CG C 9.891 0.808 3.039 1.00 . A A . 1 LYS CG 1 1 11 3347 1 1 1 LYS H1 H 11.316 -2.736 1.157 1.00 . A A . 1 LYS H1 1 1 11 3348 1 1 1 LYS H2 H 11.879 -1.497 2.201 1.00 . A A . 1 LYS H2 1 1 11 3349 1 1 1 LYS H3 H 11.533 -1.146 0.557 1.00 . A A . 1 LYS H3 1 1 11 3350 1 1 1 LYS HA H 9.694 -1.736 2.757 1.00 . A A . 1 LYS HA 1 1 11 3351 1 1 1 LYS HB2 H 10.423 0.534 1.003 1.00 . A A . 1 LYS HB2 1 1 11 3352 1 1 1 LYS HB3 H 8.707 0.350 1.337 1.00 . A A . 1 LYS HB3 1 1 11 3353 1 1 1 LYS HD2 H 10.835 2.632 3.605 1.00 . A A . 1 LYS HD2 1 1 11 3354 1 1 1 LYS HD3 H 10.475 2.500 1.883 1.00 . A A . 1 LYS HD3 1 1 11 3355 1 1 1 LYS HE2 H 8.384 3.304 2.128 1.00 . A A . 1 LYS HE2 1 1 11 3356 1 1 1 LYS HE3 H 8.132 2.465 3.657 1.00 . A A . 1 LYS HE3 1 1 11 3357 1 1 1 LYS HG2 H 9.011 0.643 3.642 1.00 . A A . 1 LYS HG2 1 1 11 3358 1 1 1 LYS HG3 H 10.752 0.379 3.531 1.00 . A A . 1 LYS HG3 1 1 11 3359 1 1 1 LYS HZ1 H 9.784 4.218 4.549 1.00 . A A . 1 LYS HZ1 1 1 11 3360 1 1 1 LYS HZ2 H 8.171 4.659 4.295 1.00 . A A . 1 LYS HZ2 1 1 11 3361 1 1 1 LYS HZ3 H 9.353 5.096 3.168 1.00 . A A . 1 LYS HZ3 1 1 11 3362 1 1 1 LYS N N 11.277 -1.723 1.382 1.00 . A A . 1 LYS N 1 1 11 3363 1 1 1 LYS NZ N 9.047 4.352 3.827 1.00 . A A . 1 LYS NZ 1 1 11 3364 1 1 1 LYS O O 9.277 -2.809 -0.096 1.00 . A A . 1 LYS O 1 1 11 3365 1 1 2 VAL C C 5.927 -1.359 -0.718 1.00 . A A . 2 VAL C 1 1 11 3366 1 1 2 VAL CA C 6.552 -2.401 0.199 1.00 . A A . 2 VAL CA 1 1 11 3367 1 1 2 VAL CB C 5.437 -3.031 1.058 1.00 . A A . 2 VAL CB 1 1 11 3368 1 1 2 VAL CG1 C 4.745 -1.969 1.902 1.00 . A A . 2 VAL CG1 1 1 11 3369 1 1 2 VAL CG2 C 4.429 -3.758 0.179 1.00 . A A . 2 VAL CG2 1 1 11 3370 1 1 2 VAL H H 7.349 -1.220 1.763 1.00 . A A . 2 VAL H 1 1 11 3371 1 1 2 VAL HA H 6.997 -3.180 -0.404 1.00 . A A . 2 VAL HA 1 1 11 3372 1 1 2 VAL HB H 5.886 -3.752 1.725 1.00 . A A . 2 VAL HB 1 1 11 3373 1 1 2 VAL HG11 H 3.846 -2.382 2.336 1.00 . A A . 2 VAL HG11 1 1 11 3374 1 1 2 VAL HG12 H 4.486 -1.124 1.278 1.00 . A A . 2 VAL HG12 1 1 11 3375 1 1 2 VAL HG13 H 5.409 -1.646 2.690 1.00 . A A . 2 VAL HG13 1 1 11 3376 1 1 2 VAL HG21 H 4.909 -4.077 -0.734 1.00 . A A . 2 VAL HG21 1 1 11 3377 1 1 2 VAL HG22 H 3.611 -3.092 -0.058 1.00 . A A . 2 VAL HG22 1 1 11 3378 1 1 2 VAL HG23 H 4.047 -4.621 0.706 1.00 . A A . 2 VAL HG23 1 1 11 3379 1 1 2 VAL N N 7.600 -1.816 1.027 1.00 . A A . 2 VAL N 1 1 11 3380 1 1 2 VAL O O 5.853 -0.179 -0.373 1.00 . A A . 2 VAL O 1 1 11 3381 1 1 3 GLY C C 3.467 -0.454 -2.306 1.00 . A A . 3 GLY C 1 1 11 3382 1 1 3 GLY CA C 4.826 -0.895 -2.808 1.00 . A A . 3 GLY CA 1 1 11 3383 1 1 3 GLY H H 5.532 -2.756 -2.094 1.00 . A A . 3 GLY H 1 1 11 3384 1 1 3 GLY HA2 H 5.455 -0.027 -2.938 1.00 . A A . 3 GLY HA2 1 1 11 3385 1 1 3 GLY HA3 H 4.705 -1.391 -3.760 1.00 . A A . 3 GLY HA3 1 1 11 3386 1 1 3 GLY N N 5.460 -1.804 -1.877 1.00 . A A . 3 GLY N 1 1 11 3387 1 1 3 GLY O O 2.447 -1.004 -2.708 1.00 . A A . 3 GLY O 1 1 11 3388 1 1 4 ARG C C 1.055 1.061 -1.774 1.00 . A A . 4 ARG C 1 1 11 3389 1 1 4 ARG CA C 2.235 1.048 -0.799 1.00 . A A . 4 ARG CA 1 1 11 3390 1 1 4 ARG CB C 2.449 2.458 -0.231 1.00 . A A . 4 ARG CB 1 1 11 3391 1 1 4 ARG CD C 4.275 4.140 0.116 1.00 . A A . 4 ARG CD 1 1 11 3392 1 1 4 ARG CG C 3.570 3.249 -0.890 1.00 . A A . 4 ARG CG 1 1 11 3393 1 1 4 ARG CZ C 4.516 6.558 0.522 1.00 . A A . 4 ARG CZ 1 1 11 3394 1 1 4 ARG H H 4.326 0.895 -1.111 1.00 . A A . 4 ARG H 1 1 11 3395 1 1 4 ARG HA H 1.988 0.394 0.016 1.00 . A A . 4 ARG HA 1 1 11 3396 1 1 4 ARG HB2 H 1.534 3.019 -0.346 1.00 . A A . 4 ARG HB2 1 1 11 3397 1 1 4 ARG HB3 H 2.672 2.373 0.823 1.00 . A A . 4 ARG HB3 1 1 11 3398 1 1 4 ARG HD2 H 4.061 3.773 1.109 1.00 . A A . 4 ARG HD2 1 1 11 3399 1 1 4 ARG HD3 H 5.339 4.092 -0.065 1.00 . A A . 4 ARG HD3 1 1 11 3400 1 1 4 ARG HE H 2.993 5.708 -0.448 1.00 . A A . 4 ARG HE 1 1 11 3401 1 1 4 ARG HG2 H 4.288 2.565 -1.310 1.00 . A A . 4 ARG HG2 1 1 11 3402 1 1 4 ARG HG3 H 3.152 3.864 -1.674 1.00 . A A . 4 ARG HG3 1 1 11 3403 1 1 4 ARG HH11 H 6.022 5.429 1.264 1.00 . A A . 4 ARG HH11 1 1 11 3404 1 1 4 ARG HH12 H 6.168 7.133 1.537 1.00 . A A . 4 ARG HH12 1 1 11 3405 1 1 4 ARG HH21 H 3.183 7.949 -0.089 1.00 . A A . 4 ARG HH21 1 1 11 3406 1 1 4 ARG HH22 H 4.556 8.564 0.769 1.00 . A A . 4 ARG HH22 1 1 11 3407 1 1 4 ARG N N 3.467 0.526 -1.402 1.00 . A A . 4 ARG N 1 1 11 3408 1 1 4 ARG NE N 3.837 5.531 0.018 1.00 . A A . 4 ARG NE 1 1 11 3409 1 1 4 ARG NH1 N 5.663 6.357 1.160 1.00 . A A . 4 ARG NH1 1 1 11 3410 1 1 4 ARG NH2 N 4.047 7.792 0.389 1.00 . A A . 4 ARG NH2 1 1 11 3411 1 1 4 ARG O O -0.092 0.890 -1.364 1.00 . A A . 4 ARG O 1 1 11 3412 1 1 5 ASN C C -0.390 -0.076 -4.238 1.00 . A A . 5 ASN C 1 1 11 3413 1 1 5 ASN CA C 0.285 1.292 -4.074 1.00 . A A . 5 ASN CA 1 1 11 3414 1 1 5 ASN CB C 0.862 1.747 -5.415 1.00 . A A . 5 ASN CB 1 1 11 3415 1 1 5 ASN CG C -0.159 2.471 -6.269 1.00 . A A . 5 ASN CG 1 1 11 3416 1 1 5 ASN H H 2.265 1.392 -3.329 1.00 . A A . 5 ASN H 1 1 11 3417 1 1 5 ASN HA H -0.459 2.007 -3.757 1.00 . A A . 5 ASN HA 1 1 11 3418 1 1 5 ASN HB2 H 1.691 2.416 -5.234 1.00 . A A . 5 ASN HB2 1 1 11 3419 1 1 5 ASN HB3 H 1.216 0.884 -5.960 1.00 . A A . 5 ASN HB3 1 1 11 3420 1 1 5 ASN HD21 H -0.091 1.018 -7.625 1.00 . A A . 5 ASN HD21 1 1 11 3421 1 1 5 ASN HD22 H -1.168 2.322 -7.977 1.00 . A A . 5 ASN HD22 1 1 11 3422 1 1 5 ASN N N 1.334 1.261 -3.057 1.00 . A A . 5 ASN N 1 1 11 3423 1 1 5 ASN ND2 N -0.507 1.877 -7.405 1.00 . A A . 5 ASN ND2 1 1 11 3424 1 1 5 ASN O O -1.341 -0.213 -5.008 1.00 . A A . 5 ASN O 1 1 11 3425 1 1 5 ASN OD1 O -0.631 3.551 -5.913 1.00 . A A . 5 ASN OD1 1 1 11 3426 1 1 6 ASP C C -1.345 -2.703 -2.379 1.00 . A A . 6 ASP C 1 1 11 3427 1 1 6 ASP CA C -0.456 -2.425 -3.590 1.00 . A A . 6 ASP CA 1 1 11 3428 1 1 6 ASP CB C 0.675 -3.458 -3.662 1.00 . A A . 6 ASP CB 1 1 11 3429 1 1 6 ASP CG C 0.179 -4.888 -3.555 1.00 . A A . 6 ASP CG 1 1 11 3430 1 1 6 ASP H H 0.857 -0.919 -2.921 1.00 . A A . 6 ASP H 1 1 11 3431 1 1 6 ASP HA H -1.054 -2.490 -4.487 1.00 . A A . 6 ASP HA 1 1 11 3432 1 1 6 ASP HB2 H 1.191 -3.348 -4.603 1.00 . A A . 6 ASP HB2 1 1 11 3433 1 1 6 ASP HB3 H 1.369 -3.276 -2.854 1.00 . A A . 6 ASP HB3 1 1 11 3434 1 1 6 ASP N N 0.102 -1.081 -3.516 1.00 . A A . 6 ASP N 1 1 11 3435 1 1 6 ASP O O -1.062 -2.241 -1.273 1.00 . A A . 6 ASP O 1 1 11 3436 1 1 6 ASP OD1 O -0.083 -5.341 -2.421 1.00 . A A . 6 ASP OD1 1 1 11 3437 1 1 6 ASP OD2 O 0.054 -5.553 -4.605 1.00 . A A . 6 ASP OD2 1 1 11 3438 1 1 7 PRO C C -2.642 -4.295 -0.238 1.00 . A A . 7 PRO C 1 1 11 3439 1 1 7 PRO CA C -3.364 -3.805 -1.491 1.00 . A A . 7 PRO CA 1 1 11 3440 1 1 7 PRO CB C -4.232 -4.926 -2.087 1.00 . A A . 7 PRO CB 1 1 11 3441 1 1 7 PRO CD C -2.854 -4.060 -3.843 1.00 . A A . 7 PRO CD 1 1 11 3442 1 1 7 PRO CG C -3.598 -5.282 -3.395 1.00 . A A . 7 PRO CG 1 1 11 3443 1 1 7 PRO HA H -3.990 -2.963 -1.233 1.00 . A A . 7 PRO HA 1 1 11 3444 1 1 7 PRO HB2 H -4.241 -5.772 -1.415 1.00 . A A . 7 PRO HB2 1 1 11 3445 1 1 7 PRO HB3 H -5.240 -4.565 -2.227 1.00 . A A . 7 PRO HB3 1 1 11 3446 1 1 7 PRO HD2 H -2.001 -4.331 -4.447 1.00 . A A . 7 PRO HD2 1 1 11 3447 1 1 7 PRO HD3 H -3.508 -3.393 -4.386 1.00 . A A . 7 PRO HD3 1 1 11 3448 1 1 7 PRO HG2 H -2.916 -6.108 -3.259 1.00 . A A . 7 PRO HG2 1 1 11 3449 1 1 7 PRO HG3 H -4.362 -5.541 -4.114 1.00 . A A . 7 PRO HG3 1 1 11 3450 1 1 7 PRO N N -2.435 -3.464 -2.570 1.00 . A A . 7 PRO N 1 1 11 3451 1 1 7 PRO O O -1.902 -5.277 -0.283 1.00 . A A . 7 PRO O 1 1 11 3452 1 1 8 CYS C C -2.129 -5.452 2.345 1.00 . A A . 8 CYS C 1 1 11 3453 1 1 8 CYS CA C -2.247 -3.936 2.158 1.00 . A A . 8 CYS CA 1 1 11 3454 1 1 8 CYS CB C -3.065 -3.337 3.304 1.00 . A A . 8 CYS CB 1 1 11 3455 1 1 8 CYS H H -3.464 -2.821 0.831 1.00 . A A . 8 CYS H 1 1 11 3456 1 1 8 CYS HA H -1.259 -3.504 2.172 1.00 . A A . 8 CYS HA 1 1 11 3457 1 1 8 CYS HB2 H -3.484 -2.396 2.983 1.00 . A A . 8 CYS HB2 1 1 11 3458 1 1 8 CYS HB3 H -3.869 -4.016 3.554 1.00 . A A . 8 CYS HB3 1 1 11 3459 1 1 8 CYS N N -2.866 -3.595 0.874 1.00 . A A . 8 CYS N 1 1 11 3460 1 1 8 CYS O O -3.077 -6.192 2.083 1.00 . A A . 8 CYS O 1 1 11 3461 1 1 8 CYS SG S -2.117 -3.028 4.811 1.00 . A A . 8 CYS SG 1 1 11 3462 1 1 9 PRO C C -1.626 -7.959 4.093 1.00 . A A . 9 PRO C 1 1 11 3463 1 1 9 PRO CA C -0.722 -7.368 3.014 1.00 . A A . 9 PRO CA 1 1 11 3464 1 1 9 PRO CB C 0.746 -7.433 3.456 1.00 . A A . 9 PRO CB 1 1 11 3465 1 1 9 PRO CD C 0.230 -5.127 3.135 1.00 . A A . 9 PRO CD 1 1 11 3466 1 1 9 PRO CG C 1.057 -6.068 3.961 1.00 . A A . 9 PRO CG 1 1 11 3467 1 1 9 PRO HA H -0.848 -7.928 2.099 1.00 . A A . 9 PRO HA 1 1 11 3468 1 1 9 PRO HB2 H 0.858 -8.177 4.231 1.00 . A A . 9 PRO HB2 1 1 11 3469 1 1 9 PRO HB3 H 1.367 -7.690 2.611 1.00 . A A . 9 PRO HB3 1 1 11 3470 1 1 9 PRO HD2 H -0.043 -4.257 3.712 1.00 . A A . 9 PRO HD2 1 1 11 3471 1 1 9 PRO HD3 H 0.764 -4.838 2.242 1.00 . A A . 9 PRO HD3 1 1 11 3472 1 1 9 PRO HG2 H 0.785 -5.991 5.003 1.00 . A A . 9 PRO HG2 1 1 11 3473 1 1 9 PRO HG3 H 2.108 -5.858 3.829 1.00 . A A . 9 PRO HG3 1 1 11 3474 1 1 9 PRO N N -0.957 -5.934 2.799 1.00 . A A . 9 PRO N 1 1 11 3475 1 1 9 PRO O O -1.829 -9.172 4.146 1.00 . A A . 9 PRO O 1 1 11 3476 1 1 10 CYS C C -4.239 -8.321 5.471 1.00 . A A . 10 CYS C 1 1 11 3477 1 1 10 CYS CA C -3.046 -7.548 6.028 1.00 . A A . 10 CYS CA 1 1 11 3478 1 1 10 CYS CB C -3.531 -6.356 6.856 1.00 . A A . 10 CYS CB 1 1 11 3479 1 1 10 CYS H H -1.969 -6.143 4.865 1.00 . A A . 10 CYS H 1 1 11 3480 1 1 10 CYS HA H -2.476 -8.207 6.665 1.00 . A A . 10 CYS HA 1 1 11 3481 1 1 10 CYS HB2 H -4.039 -6.721 7.736 1.00 . A A . 10 CYS HB2 1 1 11 3482 1 1 10 CYS HB3 H -2.676 -5.768 7.160 1.00 . A A . 10 CYS HB3 1 1 11 3483 1 1 10 CYS N N -2.167 -7.099 4.953 1.00 . A A . 10 CYS N 1 1 11 3484 1 1 10 CYS O O -4.730 -9.261 6.097 1.00 . A A . 10 CYS O 1 1 11 3485 1 1 10 CYS SG S -4.673 -5.257 5.984 1.00 . A A . 10 CYS SG 1 1 11 3486 1 1 11 GLY C C -7.150 -7.904 3.981 1.00 . A A . 11 GLY C 1 1 11 3487 1 1 11 GLY CA C -5.831 -8.584 3.670 1.00 . A A . 11 GLY CA 1 1 11 3488 1 1 11 GLY H H -4.269 -7.164 3.839 1.00 . A A . 11 GLY H 1 1 11 3489 1 1 11 GLY HA2 H -5.685 -8.590 2.599 1.00 . A A . 11 GLY HA2 1 1 11 3490 1 1 11 GLY HA3 H -5.872 -9.604 4.022 1.00 . A A . 11 GLY HA3 1 1 11 3491 1 1 11 GLY N N -4.700 -7.918 4.292 1.00 . A A . 11 GLY N 1 1 11 3492 1 1 11 GLY O O -8.183 -8.564 4.096 1.00 . A A . 11 GLY O 1 1 11 3493 1 1 12 SER C C -9.018 -5.376 3.134 1.00 . A A . 12 SER C 1 1 11 3494 1 1 12 SER CA C -8.320 -5.816 4.417 1.00 . A A . 12 SER CA 1 1 11 3495 1 1 12 SER CB C -7.973 -4.592 5.267 1.00 . A A . 12 SER CB 1 1 11 3496 1 1 12 SER H H -6.263 -6.113 4.013 1.00 . A A . 12 SER H 1 1 11 3497 1 1 12 SER HA H -8.989 -6.453 4.976 1.00 . A A . 12 SER HA 1 1 11 3498 1 1 12 SER HB2 H -7.323 -4.890 6.076 1.00 . A A . 12 SER HB2 1 1 11 3499 1 1 12 SER HB3 H -7.470 -3.860 4.652 1.00 . A A . 12 SER HB3 1 1 11 3500 1 1 12 SER HG H -9.185 -4.199 6.754 1.00 . A A . 12 SER HG 1 1 11 3501 1 1 12 SER N N -7.117 -6.583 4.117 1.00 . A A . 12 SER N 1 1 11 3502 1 1 12 SER O O -10.240 -5.470 3.017 1.00 . A A . 12 SER O 1 1 11 3503 1 1 12 SER OG O -9.139 -4.003 5.815 1.00 . A A . 12 SER OG 1 1 11 3504 1 1 13 GLY C C -8.196 -3.135 0.448 1.00 . A A . 13 GLY C 1 1 11 3505 1 1 13 GLY CA C -8.794 -4.448 0.913 1.00 . A A . 13 GLY CA 1 1 11 3506 1 1 13 GLY H H -7.268 -4.844 2.325 1.00 . A A . 13 GLY H 1 1 11 3507 1 1 13 GLY HA2 H -8.609 -5.202 0.162 1.00 . A A . 13 GLY HA2 1 1 11 3508 1 1 13 GLY HA3 H -9.861 -4.324 1.029 1.00 . A A . 13 GLY HA3 1 1 11 3509 1 1 13 GLY N N -8.235 -4.896 2.174 1.00 . A A . 13 GLY N 1 1 11 3510 1 1 13 GLY O O -8.130 -2.865 -0.751 1.00 . A A . 13 GLY O 1 1 11 3511 1 1 14 LYS C C -5.656 -1.155 0.893 1.00 . A A . 14 LYS C 1 1 11 3512 1 1 14 LYS CA C -7.163 -1.024 1.084 1.00 . A A . 14 LYS CA 1 1 11 3513 1 1 14 LYS CB C -7.459 -0.018 2.197 1.00 . A A . 14 LYS CB 1 1 11 3514 1 1 14 LYS CD C -9.163 1.030 3.717 1.00 . A A . 14 LYS CD 1 1 11 3515 1 1 14 LYS CE C -9.538 2.419 3.225 1.00 . A A . 14 LYS CE 1 1 11 3516 1 1 14 LYS CG C -8.932 0.073 2.558 1.00 . A A . 14 LYS CG 1 1 11 3517 1 1 14 LYS H H -7.839 -2.590 2.338 1.00 . A A . 14 LYS H 1 1 11 3518 1 1 14 LYS HA H -7.602 -0.671 0.164 1.00 . A A . 14 LYS HA 1 1 11 3519 1 1 14 LYS HB2 H -6.910 -0.305 3.082 1.00 . A A . 14 LYS HB2 1 1 11 3520 1 1 14 LYS HB3 H -7.127 0.960 1.881 1.00 . A A . 14 LYS HB3 1 1 11 3521 1 1 14 LYS HD2 H -9.965 0.648 4.332 1.00 . A A . 14 LYS HD2 1 1 11 3522 1 1 14 LYS HD3 H -8.258 1.096 4.302 1.00 . A A . 14 LYS HD3 1 1 11 3523 1 1 14 LYS HE2 H -9.055 3.152 3.855 1.00 . A A . 14 LYS HE2 1 1 11 3524 1 1 14 LYS HE3 H -9.191 2.533 2.209 1.00 . A A . 14 LYS HE3 1 1 11 3525 1 1 14 LYS HG2 H -9.483 0.424 1.700 1.00 . A A . 14 LYS HG2 1 1 11 3526 1 1 14 LYS HG3 H -9.285 -0.909 2.838 1.00 . A A . 14 LYS HG3 1 1 11 3527 1 1 14 LYS HZ1 H -11.420 2.488 2.320 1.00 . A A . 14 LYS HZ1 1 1 11 3528 1 1 14 LYS HZ2 H -11.215 3.619 3.562 1.00 . A A . 14 LYS HZ2 1 1 11 3529 1 1 14 LYS HZ3 H -11.455 1.987 3.936 1.00 . A A . 14 LYS HZ3 1 1 11 3530 1 1 14 LYS N N -7.760 -2.317 1.400 1.00 . A A . 14 LYS N 1 1 11 3531 1 1 14 LYS NZ N -11.010 2.644 3.264 1.00 . A A . 14 LYS NZ 1 1 11 3532 1 1 14 LYS O O -5.033 -2.082 1.411 1.00 . A A . 14 LYS O 1 1 11 3533 1 1 15 LYS C C -2.872 0.208 1.141 1.00 . A A . 15 LYS C 1 1 11 3534 1 1 15 LYS CA C -3.639 -0.230 -0.103 1.00 . A A . 15 LYS CA 1 1 11 3535 1 1 15 LYS CB C -3.296 0.684 -1.282 1.00 . A A . 15 LYS CB 1 1 11 3536 1 1 15 LYS CD C -5.033 -0.169 -2.885 1.00 . A A . 15 LYS CD 1 1 11 3537 1 1 15 LYS CE C -5.791 1.148 -2.918 1.00 . A A . 15 LYS CE 1 1 11 3538 1 1 15 LYS CG C -3.548 0.048 -2.638 1.00 . A A . 15 LYS CG 1 1 11 3539 1 1 15 LYS H H -5.622 0.497 -0.234 1.00 . A A . 15 LYS H 1 1 11 3540 1 1 15 LYS HA H -3.353 -1.242 -0.349 1.00 . A A . 15 LYS HA 1 1 11 3541 1 1 15 LYS HB2 H -3.893 1.580 -1.213 1.00 . A A . 15 LYS HB2 1 1 11 3542 1 1 15 LYS HB3 H -2.252 0.953 -1.223 1.00 . A A . 15 LYS HB3 1 1 11 3543 1 1 15 LYS HD2 H -5.162 -0.669 -3.834 1.00 . A A . 15 LYS HD2 1 1 11 3544 1 1 15 LYS HD3 H -5.433 -0.785 -2.093 1.00 . A A . 15 LYS HD3 1 1 11 3545 1 1 15 LYS HE2 H -6.236 1.317 -1.948 1.00 . A A . 15 LYS HE2 1 1 11 3546 1 1 15 LYS HE3 H -5.093 1.944 -3.135 1.00 . A A . 15 LYS HE3 1 1 11 3547 1 1 15 LYS HG2 H -3.157 0.696 -3.408 1.00 . A A . 15 LYS HG2 1 1 11 3548 1 1 15 LYS HG3 H -3.043 -0.906 -2.678 1.00 . A A . 15 LYS HG3 1 1 11 3549 1 1 15 LYS HZ1 H -6.555 0.611 -4.786 1.00 . A A . 15 LYS HZ1 1 1 11 3550 1 1 15 LYS HZ2 H -7.084 2.121 -4.239 1.00 . A A . 15 LYS HZ2 1 1 11 3551 1 1 15 LYS HZ3 H -7.726 0.707 -3.568 1.00 . A A . 15 LYS HZ3 1 1 11 3552 1 1 15 LYS N N -5.074 -0.219 0.150 1.00 . A A . 15 LYS N 1 1 11 3553 1 1 15 LYS NZ N -6.864 1.146 -3.949 1.00 . A A . 15 LYS NZ 1 1 11 3554 1 1 15 LYS O O -3.436 0.828 2.041 1.00 . A A . 15 LYS O 1 1 11 3555 1 1 16 TYR C C -0.936 1.689 2.742 1.00 . A A . 16 TYR C 1 1 11 3556 1 1 16 TYR CA C -0.736 0.232 2.322 1.00 . A A . 16 TYR CA 1 1 11 3557 1 1 16 TYR CB C 0.731 -0.007 1.962 1.00 . A A . 16 TYR CB 1 1 11 3558 1 1 16 TYR CD1 C 1.039 -1.646 3.856 1.00 . A A . 16 TYR CD1 1 1 11 3559 1 1 16 TYR CD2 C 2.835 -0.165 3.341 1.00 . A A . 16 TYR CD2 1 1 11 3560 1 1 16 TYR CE1 C 1.787 -2.207 4.874 1.00 . A A . 16 TYR CE1 1 1 11 3561 1 1 16 TYR CE2 C 3.590 -0.720 4.358 1.00 . A A . 16 TYR CE2 1 1 11 3562 1 1 16 TYR CG C 1.549 -0.618 3.075 1.00 . A A . 16 TYR CG 1 1 11 3563 1 1 16 TYR CZ C 3.061 -1.741 5.120 1.00 . A A . 16 TYR CZ 1 1 11 3564 1 1 16 TYR H H -1.192 -0.621 0.439 1.00 . A A . 16 TYR H 1 1 11 3565 1 1 16 TYR HA H -1.002 -0.408 3.149 1.00 . A A . 16 TYR HA 1 1 11 3566 1 1 16 TYR HB2 H 0.780 -0.673 1.115 1.00 . A A . 16 TYR HB2 1 1 11 3567 1 1 16 TYR HB3 H 1.185 0.938 1.697 1.00 . A A . 16 TYR HB3 1 1 11 3568 1 1 16 TYR HD1 H 0.041 -2.009 3.659 1.00 . A A . 16 TYR HD1 1 1 11 3569 1 1 16 TYR HD2 H 3.246 0.634 2.739 1.00 . A A . 16 TYR HD2 1 1 11 3570 1 1 16 TYR HE1 H 1.372 -3.006 5.470 1.00 . A A . 16 TYR HE1 1 1 11 3571 1 1 16 TYR HE2 H 4.588 -0.355 4.550 1.00 . A A . 16 TYR HE2 1 1 11 3572 1 1 16 TYR HH H 3.765 -3.253 6.077 1.00 . A A . 16 TYR HH 1 1 11 3573 1 1 16 TYR N N -1.585 -0.123 1.187 1.00 . A A . 16 TYR N 1 1 11 3574 1 1 16 TYR O O -1.321 1.971 3.875 1.00 . A A . 16 TYR O 1 1 11 3575 1 1 16 TYR OH O 3.809 -2.297 6.133 1.00 . A A . 16 TYR OH 1 1 11 3576 1 1 17 LYS C C -2.179 4.372 2.662 1.00 . A A . 17 LYS C 1 1 11 3577 1 1 17 LYS CA C -0.803 4.038 2.090 1.00 . A A . 17 LYS CA 1 1 11 3578 1 1 17 LYS CB C -0.564 4.841 0.812 1.00 . A A . 17 LYS CB 1 1 11 3579 1 1 17 LYS CD C -0.729 4.407 -1.660 1.00 . A A . 17 LYS CD 1 1 11 3580 1 1 17 LYS CE C -0.225 5.787 -2.051 1.00 . A A . 17 LYS CE 1 1 11 3581 1 1 17 LYS CG C -1.478 4.442 -0.337 1.00 . A A . 17 LYS CG 1 1 11 3582 1 1 17 LYS H H -0.355 2.319 0.936 1.00 . A A . 17 LYS H 1 1 11 3583 1 1 17 LYS HA H -0.052 4.309 2.817 1.00 . A A . 17 LYS HA 1 1 11 3584 1 1 17 LYS HB2 H -0.724 5.888 1.023 1.00 . A A . 17 LYS HB2 1 1 11 3585 1 1 17 LYS HB3 H 0.459 4.699 0.496 1.00 . A A . 17 LYS HB3 1 1 11 3586 1 1 17 LYS HD2 H 0.115 3.739 -1.567 1.00 . A A . 17 LYS HD2 1 1 11 3587 1 1 17 LYS HD3 H -1.395 4.045 -2.429 1.00 . A A . 17 LYS HD3 1 1 11 3588 1 1 17 LYS HE2 H -1.075 6.422 -2.251 1.00 . A A . 17 LYS HE2 1 1 11 3589 1 1 17 LYS HE3 H 0.343 6.195 -1.228 1.00 . A A . 17 LYS HE3 1 1 11 3590 1 1 17 LYS HG2 H -1.881 3.460 -0.138 1.00 . A A . 17 LYS HG2 1 1 11 3591 1 1 17 LYS HG3 H -2.283 5.157 -0.408 1.00 . A A . 17 LYS HG3 1 1 11 3592 1 1 17 LYS HZ1 H 0.323 4.982 -3.898 1.00 . A A . 17 LYS HZ1 1 1 11 3593 1 1 17 LYS HZ2 H 1.627 5.557 -2.988 1.00 . A A . 17 LYS HZ2 1 1 11 3594 1 1 17 LYS HZ3 H 0.595 6.647 -3.768 1.00 . A A . 17 LYS HZ3 1 1 11 3595 1 1 17 LYS N N -0.664 2.608 1.820 1.00 . A A . 17 LYS N 1 1 11 3596 1 1 17 LYS NZ N 0.640 5.740 -3.261 1.00 . A A . 17 LYS NZ 1 1 11 3597 1 1 17 LYS O O -2.342 5.372 3.362 1.00 . A A . 17 LYS O 1 1 11 3598 1 1 18 GLN C C -4.771 3.025 4.153 1.00 . A A . 18 GLN C 1 1 11 3599 1 1 18 GLN CA C -4.528 3.755 2.839 1.00 . A A . 18 GLN CA 1 1 11 3600 1 1 18 GLN CB C -5.540 3.276 1.800 1.00 . A A . 18 GLN CB 1 1 11 3601 1 1 18 GLN CD C -6.439 4.360 -0.298 1.00 . A A . 18 GLN CD 1 1 11 3602 1 1 18 GLN CG C -5.234 3.746 0.388 1.00 . A A . 18 GLN CG 1 1 11 3603 1 1 18 GLN H H -2.979 2.759 1.791 1.00 . A A . 18 GLN H 1 1 11 3604 1 1 18 GLN HA H -4.660 4.814 2.997 1.00 . A A . 18 GLN HA 1 1 11 3605 1 1 18 GLN HB2 H -5.555 2.195 1.804 1.00 . A A . 18 GLN HB2 1 1 11 3606 1 1 18 GLN HB3 H -6.519 3.640 2.075 1.00 . A A . 18 GLN HB3 1 1 11 3607 1 1 18 GLN HE21 H -5.650 6.176 -0.117 1.00 . A A . 18 GLN HE21 1 1 11 3608 1 1 18 GLN HE22 H -7.194 6.102 -0.890 1.00 . A A . 18 GLN HE22 1 1 11 3609 1 1 18 GLN HG2 H -4.449 4.486 0.430 1.00 . A A . 18 GLN HG2 1 1 11 3610 1 1 18 GLN HG3 H -4.899 2.901 -0.194 1.00 . A A . 18 GLN HG3 1 1 11 3611 1 1 18 GLN N N -3.167 3.538 2.357 1.00 . A A . 18 GLN N 1 1 11 3612 1 1 18 GLN NE2 N -6.426 5.679 -0.450 1.00 . A A . 18 GLN NE2 1 1 11 3613 1 1 18 GLN O O -5.503 3.507 5.018 1.00 . A A . 18 GLN O 1 1 11 3614 1 1 18 GLN OE1 O -7.372 3.656 -0.687 1.00 . A A . 18 GLN OE1 1 1 11 3615 1 1 19 CYS C C -3.112 1.150 6.407 1.00 . A A . 19 CYS C 1 1 11 3616 1 1 19 CYS CA C -4.335 1.041 5.483 1.00 . A A . 19 CYS CA 1 1 11 3617 1 1 19 CYS CB C -4.610 -0.408 5.073 1.00 . A A . 19 CYS CB 1 1 11 3618 1 1 19 CYS H H -3.609 1.516 3.556 1.00 . A A . 19 CYS H 1 1 11 3619 1 1 19 CYS HA H -5.197 1.418 6.013 1.00 . A A . 19 CYS HA 1 1 11 3620 1 1 19 CYS HB2 H -5.307 -0.408 4.245 1.00 . A A . 19 CYS HB2 1 1 11 3621 1 1 19 CYS HB3 H -3.687 -0.868 4.754 1.00 . A A . 19 CYS HB3 1 1 11 3622 1 1 19 CYS N N -4.168 1.851 4.287 1.00 . A A . 19 CYS N 1 1 11 3623 1 1 19 CYS O O -2.782 2.244 6.868 1.00 . A A . 19 CYS O 1 1 11 3624 1 1 19 CYS SG S -5.318 -1.432 6.386 1.00 . A A . 19 CYS SG 1 1 11 3625 1 1 20 HIS C C -0.204 0.991 7.051 1.00 . A A . 20 HIS C 1 1 11 3626 1 1 20 HIS CA C -1.277 0.034 7.563 1.00 . A A . 20 HIS CA 1 1 11 3627 1 1 20 HIS CB C -0.698 -1.377 7.687 1.00 . A A . 20 HIS CB 1 1 11 3628 1 1 20 HIS CD2 C -1.281 -2.498 9.938 1.00 . A A . 20 HIS CD2 1 1 11 3629 1 1 20 HIS CE1 C -2.994 -3.646 9.238 1.00 . A A . 20 HIS CE1 1 1 11 3630 1 1 20 HIS CG C -1.471 -2.261 8.617 1.00 . A A . 20 HIS CG 1 1 11 3631 1 1 20 HIS H H -2.745 -0.819 6.304 1.00 . A A . 20 HIS H 1 1 11 3632 1 1 20 HIS HA H -1.599 0.366 8.538 1.00 . A A . 20 HIS HA 1 1 11 3633 1 1 20 HIS HB2 H -0.692 -1.843 6.714 1.00 . A A . 20 HIS HB2 1 1 11 3634 1 1 20 HIS HB3 H 0.316 -1.311 8.055 1.00 . A A . 20 HIS HB3 1 1 11 3635 1 1 20 HIS HD2 H -0.511 -2.074 10.567 1.00 . A A . 20 HIS HD2 1 1 11 3636 1 1 20 HIS HE1 H -3.843 -4.313 9.227 1.00 . A A . 20 HIS HE1 1 1 11 3637 1 1 20 HIS HE2 H -2.488 -3.608 11.250 1.00 . A A . 20 HIS HE2 1 1 11 3638 1 1 20 HIS N N -2.445 0.029 6.687 1.00 . A A . 20 HIS N 1 1 11 3639 1 1 20 HIS ND1 N -2.552 -2.987 8.182 1.00 . A A . 20 HIS ND1 1 1 11 3640 1 1 20 HIS NE2 N -2.255 -3.381 10.326 1.00 . A A . 20 HIS NE2 1 1 11 3641 1 1 20 HIS O O 0.339 1.793 7.811 1.00 . A A . 20 HIS O 1 1 11 3642 1 1 21 GLY C C 0.863 3.234 5.455 1.00 . A A . 21 GLY C 1 1 11 3643 1 1 21 GLY CA C 1.111 1.764 5.172 1.00 . A A . 21 GLY CA 1 1 11 3644 1 1 21 GLY H H -0.362 0.241 5.202 1.00 . A A . 21 GLY H 1 1 11 3645 1 1 21 GLY HA2 H 2.076 1.491 5.573 1.00 . A A . 21 GLY HA2 1 1 11 3646 1 1 21 GLY HA3 H 1.122 1.610 4.104 1.00 . A A . 21 GLY HA3 1 1 11 3647 1 1 21 GLY N N 0.101 0.901 5.759 1.00 . A A . 21 GLY N 1 1 11 3648 1 1 21 GLY O O 1.793 4.040 5.440 1.00 . A A . 21 GLY O 1 1 11 3649 1 1 22 ARG C C -0.078 5.453 7.278 1.00 . A A . 22 ARG C 1 1 11 3650 1 1 22 ARG CA C -0.756 4.967 6.000 1.00 . A A . 22 ARG CA 1 1 11 3651 1 1 22 ARG CB C -2.274 5.104 6.131 1.00 . A A . 22 ARG CB 1 1 11 3652 1 1 22 ARG CD C -4.285 6.611 6.070 1.00 . A A . 22 ARG CD 1 1 11 3653 1 1 22 ARG CG C -2.770 6.532 5.968 1.00 . A A . 22 ARG CG 1 1 11 3654 1 1 22 ARG CZ C -4.903 8.476 4.583 1.00 . A A . 22 ARG CZ 1 1 11 3655 1 1 22 ARG H H -1.092 2.898 5.711 1.00 . A A . 22 ARG H 1 1 11 3656 1 1 22 ARG HA H -0.417 5.577 5.174 1.00 . A A . 22 ARG HA 1 1 11 3657 1 1 22 ARG HB2 H -2.745 4.493 5.377 1.00 . A A . 22 ARG HB2 1 1 11 3658 1 1 22 ARG HB3 H -2.573 4.752 7.107 1.00 . A A . 22 ARG HB3 1 1 11 3659 1 1 22 ARG HD2 H -4.718 5.930 5.352 1.00 . A A . 22 ARG HD2 1 1 11 3660 1 1 22 ARG HD3 H -4.581 6.318 7.067 1.00 . A A . 22 ARG HD3 1 1 11 3661 1 1 22 ARG HE H -5.037 8.508 6.574 1.00 . A A . 22 ARG HE 1 1 11 3662 1 1 22 ARG HG2 H -2.335 7.144 6.742 1.00 . A A . 22 ARG HG2 1 1 11 3663 1 1 22 ARG HG3 H -2.464 6.900 5.000 1.00 . A A . 22 ARG HG3 1 1 11 3664 1 1 22 ARG HH11 H -4.216 6.833 3.624 1.00 . A A . 22 ARG HH11 1 1 11 3665 1 1 22 ARG HH12 H -4.660 8.157 2.601 1.00 . A A . 22 ARG HH12 1 1 11 3666 1 1 22 ARG HH21 H -5.619 10.251 5.230 1.00 . A A . 22 ARG HH21 1 1 11 3667 1 1 22 ARG HH22 H -5.455 10.099 3.512 1.00 . A A . 22 ARG HH22 1 1 11 3668 1 1 22 ARG N N -0.393 3.585 5.713 1.00 . A A . 22 ARG N 1 1 11 3669 1 1 22 ARG NE N -4.781 7.958 5.803 1.00 . A A . 22 ARG NE 1 1 11 3670 1 1 22 ARG NH1 N -4.565 7.763 3.516 1.00 . A A . 22 ARG NH1 1 1 11 3671 1 1 22 ARG NH2 N -5.363 9.710 4.429 1.00 . A A . 22 ARG NH2 1 1 11 3672 1 1 22 ARG O O -0.317 4.843 8.341 1.00 . A A . 22 ARG O 1 1 11 3673 1 1 22 ARG OXT O 0.686 6.438 7.204 1.00 . A A . 22 ARG OXT 1 1 11 3674 2 2 1 ZN ZN ZN -3.729 -3.166 6.523 1.00 . B A . 23 ZN ZN 1 1 12 3675 1 1 1 LYS C C 8.837 -2.657 0.941 1.00 . A A . 1 LYS C 1 1 12 3676 1 1 1 LYS CA C 9.875 -2.055 1.881 1.00 . A A . 1 LYS CA 1 1 12 3677 1 1 1 LYS CB C 11.107 -1.609 1.092 1.00 . A A . 1 LYS CB 1 1 12 3678 1 1 1 LYS CD C 13.497 -1.535 1.875 1.00 . A A . 1 LYS CD 1 1 12 3679 1 1 1 LYS CE C 14.181 -1.529 3.233 1.00 . A A . 1 LYS CE 1 1 12 3680 1 1 1 LYS CG C 12.132 -0.867 1.935 1.00 . A A . 1 LYS CG 1 1 12 3681 1 1 1 LYS H1 H 10.920 -2.543 3.585 1.00 . A A . 1 LYS H1 1 1 12 3682 1 1 1 LYS H2 H 10.812 -3.803 2.424 1.00 . A A . 1 LYS H2 1 1 12 3683 1 1 1 LYS H3 H 9.447 -3.396 3.382 1.00 . A A . 1 LYS H3 1 1 12 3684 1 1 1 LYS HA H 9.444 -1.200 2.381 1.00 . A A . 1 LYS HA 1 1 12 3685 1 1 1 LYS HB2 H 11.583 -2.481 0.667 1.00 . A A . 1 LYS HB2 1 1 12 3686 1 1 1 LYS HB3 H 10.790 -0.957 0.292 1.00 . A A . 1 LYS HB3 1 1 12 3687 1 1 1 LYS HD2 H 13.373 -2.557 1.550 1.00 . A A . 1 LYS HD2 1 1 12 3688 1 1 1 LYS HD3 H 14.117 -1.003 1.167 1.00 . A A . 1 LYS HD3 1 1 12 3689 1 1 1 LYS HE2 H 14.209 -0.514 3.603 1.00 . A A . 1 LYS HE2 1 1 12 3690 1 1 1 LYS HE3 H 13.609 -2.143 3.912 1.00 . A A . 1 LYS HE3 1 1 12 3691 1 1 1 LYS HG2 H 12.222 0.144 1.568 1.00 . A A . 1 LYS HG2 1 1 12 3692 1 1 1 LYS HG3 H 11.795 -0.850 2.961 1.00 . A A . 1 LYS HG3 1 1 12 3693 1 1 1 LYS HZ1 H 15.676 -2.671 2.326 1.00 . A A . 1 LYS HZ1 1 1 12 3694 1 1 1 LYS HZ2 H 15.793 -2.604 4.012 1.00 . A A . 1 LYS HZ2 1 1 12 3695 1 1 1 LYS HZ3 H 16.248 -1.267 3.080 1.00 . A A . 1 LYS HZ3 1 1 12 3696 1 1 1 LYS N N 10.302 -3.038 2.911 1.00 . A A . 1 LYS N 1 1 12 3697 1 1 1 LYS NZ N 15.572 -2.055 3.157 1.00 . A A . 1 LYS NZ 1 1 12 3698 1 1 1 LYS O O 9.133 -3.578 0.181 1.00 . A A . 1 LYS O 1 1 12 3699 1 1 2 VAL C C 6.014 -1.514 -0.759 1.00 . A A . 2 VAL C 1 1 12 3700 1 1 2 VAL CA C 6.534 -2.616 0.153 1.00 . A A . 2 VAL CA 1 1 12 3701 1 1 2 VAL CB C 5.357 -3.153 0.992 1.00 . A A . 2 VAL CB 1 1 12 3702 1 1 2 VAL CG1 C 4.717 -2.032 1.800 1.00 . A A . 2 VAL CG1 1 1 12 3703 1 1 2 VAL CG2 C 4.324 -3.822 0.096 1.00 . A A . 2 VAL CG2 1 1 12 3704 1 1 2 VAL H H 7.443 -1.398 1.626 1.00 . A A . 2 VAL H 1 1 12 3705 1 1 2 VAL HA H 6.917 -3.424 -0.454 1.00 . A A . 2 VAL HA 1 1 12 3706 1 1 2 VAL HB H 5.738 -3.892 1.681 1.00 . A A . 2 VAL HB 1 1 12 3707 1 1 2 VAL HG11 H 5.409 -1.691 2.555 1.00 . A A . 2 VAL HG11 1 1 12 3708 1 1 2 VAL HG12 H 3.818 -2.399 2.275 1.00 . A A . 2 VAL HG12 1 1 12 3709 1 1 2 VAL HG13 H 4.465 -1.210 1.144 1.00 . A A . 2 VAL HG13 1 1 12 3710 1 1 2 VAL HG21 H 3.650 -3.074 -0.299 1.00 . A A . 2 VAL HG21 1 1 12 3711 1 1 2 VAL HG22 H 3.763 -4.543 0.671 1.00 . A A . 2 VAL HG22 1 1 12 3712 1 1 2 VAL HG23 H 4.824 -4.321 -0.720 1.00 . A A . 2 VAL HG23 1 1 12 3713 1 1 2 VAL N N 7.617 -2.130 0.999 1.00 . A A . 2 VAL N 1 1 12 3714 1 1 2 VAL O O 6.182 -0.328 -0.477 1.00 . A A . 2 VAL O 1 1 12 3715 1 1 3 GLY C C 3.454 -0.450 -2.288 1.00 . A A . 3 GLY C 1 1 12 3716 1 1 3 GLY CA C 4.802 -0.948 -2.762 1.00 . A A . 3 GLY CA 1 1 12 3717 1 1 3 GLY H H 5.243 -2.873 -2.007 1.00 . A A . 3 GLY H 1 1 12 3718 1 1 3 GLY HA2 H 5.481 -0.110 -2.849 1.00 . A A . 3 GLY HA2 1 1 12 3719 1 1 3 GLY HA3 H 4.686 -1.410 -3.731 1.00 . A A . 3 GLY HA3 1 1 12 3720 1 1 3 GLY N N 5.361 -1.914 -1.842 1.00 . A A . 3 GLY N 1 1 12 3721 1 1 3 GLY O O 2.422 -0.996 -2.665 1.00 . A A . 3 GLY O 1 1 12 3722 1 1 4 ARG C C 1.088 1.177 -1.872 1.00 . A A . 4 ARG C 1 1 12 3723 1 1 4 ARG CA C 2.247 1.155 -0.871 1.00 . A A . 4 ARG CA 1 1 12 3724 1 1 4 ARG CB C 2.492 2.572 -0.339 1.00 . A A . 4 ARG CB 1 1 12 3725 1 1 4 ARG CD C 4.315 4.250 0.004 1.00 . A A . 4 ARG CD 1 1 12 3726 1 1 4 ARG CG C 3.661 3.300 -0.982 1.00 . A A . 4 ARG CG 1 1 12 3727 1 1 4 ARG CZ C 5.851 5.633 -1.339 1.00 . A A . 4 ARG CZ 1 1 12 3728 1 1 4 ARG H H 4.337 0.942 -1.161 1.00 . A A . 4 ARG H 1 1 12 3729 1 1 4 ARG HA H 1.962 0.533 -0.042 1.00 . A A . 4 ARG HA 1 1 12 3730 1 1 4 ARG HB2 H 1.602 3.161 -0.503 1.00 . A A . 4 ARG HB2 1 1 12 3731 1 1 4 ARG HB3 H 2.677 2.513 0.724 1.00 . A A . 4 ARG HB3 1 1 12 3732 1 1 4 ARG HD2 H 3.686 5.119 0.118 1.00 . A A . 4 ARG HD2 1 1 12 3733 1 1 4 ARG HD3 H 4.406 3.744 0.954 1.00 . A A . 4 ARG HD3 1 1 12 3734 1 1 4 ARG HE H 6.416 4.223 -0.045 1.00 . A A . 4 ARG HE 1 1 12 3735 1 1 4 ARG HG2 H 4.393 2.580 -1.307 1.00 . A A . 4 ARG HG2 1 1 12 3736 1 1 4 ARG HG3 H 3.301 3.864 -1.829 1.00 . A A . 4 ARG HG3 1 1 12 3737 1 1 4 ARG HH11 H 3.890 6.029 -1.639 1.00 . A A . 4 ARG HH11 1 1 12 3738 1 1 4 ARG HH12 H 4.991 6.987 -2.570 1.00 . A A . 4 ARG HH12 1 1 12 3739 1 1 4 ARG HH21 H 7.865 5.482 -1.268 1.00 . A A . 4 ARG HH21 1 1 12 3740 1 1 4 ARG HH22 H 7.248 6.676 -2.361 1.00 . A A . 4 ARG HH22 1 1 12 3741 1 1 4 ARG N N 3.472 0.576 -1.436 1.00 . A A . 4 ARG N 1 1 12 3742 1 1 4 ARG NE N 5.641 4.675 -0.438 1.00 . A A . 4 ARG NE 1 1 12 3743 1 1 4 ARG NH1 N 4.826 6.268 -1.894 1.00 . A A . 4 ARG NH1 1 1 12 3744 1 1 4 ARG NH2 N 7.089 5.957 -1.684 1.00 . A A . 4 ARG NH2 1 1 12 3745 1 1 4 ARG O O -0.075 1.093 -1.479 1.00 . A A . 4 ARG O 1 1 12 3746 1 1 5 ASN C C -0.298 -0.042 -4.372 1.00 . A A . 5 ASN C 1 1 12 3747 1 1 5 ASN CA C 0.378 1.323 -4.196 1.00 . A A . 5 ASN CA 1 1 12 3748 1 1 5 ASN CB C 0.987 1.774 -5.525 1.00 . A A . 5 ASN CB 1 1 12 3749 1 1 5 ASN CG C -0.010 2.511 -6.397 1.00 . A A . 5 ASN CG 1 1 12 3750 1 1 5 ASN H H 2.348 1.359 -3.416 1.00 . A A . 5 ASN H 1 1 12 3751 1 1 5 ASN HA H -0.368 2.043 -3.895 1.00 . A A . 5 ASN HA 1 1 12 3752 1 1 5 ASN HB2 H 1.820 2.432 -5.328 1.00 . A A . 5 ASN HB2 1 1 12 3753 1 1 5 ASN HB3 H 1.339 0.907 -6.064 1.00 . A A . 5 ASN HB3 1 1 12 3754 1 1 5 ASN HD21 H 0.011 4.062 -5.154 1.00 . A A . 5 ASN HD21 1 1 12 3755 1 1 5 ASN HD22 H -1.020 4.218 -6.531 1.00 . A A . 5 ASN HD22 1 1 12 3756 1 1 5 ASN N N 1.405 1.292 -3.157 1.00 . A A . 5 ASN N 1 1 12 3757 1 1 5 ASN ND2 N -0.376 3.718 -5.986 1.00 . A A . 5 ASN ND2 1 1 12 3758 1 1 5 ASN O O -1.185 -0.195 -5.211 1.00 . A A . 5 ASN O 1 1 12 3759 1 1 5 ASN OD1 O -0.445 2.000 -7.430 1.00 . A A . 5 ASN OD1 1 1 12 3760 1 1 6 ASP C C -1.294 -2.673 -2.430 1.00 . A A . 6 ASP C 1 1 12 3761 1 1 6 ASP CA C -0.439 -2.373 -3.662 1.00 . A A . 6 ASP CA 1 1 12 3762 1 1 6 ASP CB C 0.688 -3.405 -3.788 1.00 . A A . 6 ASP CB 1 1 12 3763 1 1 6 ASP CG C 0.193 -4.837 -3.701 1.00 . A A . 6 ASP CG 1 1 12 3764 1 1 6 ASP H H 0.835 -0.857 -2.937 1.00 . A A . 6 ASP H 1 1 12 3765 1 1 6 ASP HA H -1.062 -2.422 -4.542 1.00 . A A . 6 ASP HA 1 1 12 3766 1 1 6 ASP HB2 H 1.179 -3.275 -4.740 1.00 . A A . 6 ASP HB2 1 1 12 3767 1 1 6 ASP HB3 H 1.404 -3.243 -2.996 1.00 . A A . 6 ASP HB3 1 1 12 3768 1 1 6 ASP N N 0.124 -1.031 -3.584 1.00 . A A . 6 ASP N 1 1 12 3769 1 1 6 ASP O O -0.981 -2.229 -1.325 1.00 . A A . 6 ASP O 1 1 12 3770 1 1 6 ASP OD1 O -0.068 -5.308 -2.574 1.00 . A A . 6 ASP OD1 1 1 12 3771 1 1 6 ASP OD2 O 0.066 -5.488 -4.760 1.00 . A A . 6 ASP OD2 1 1 12 3772 1 1 7 PRO C C -2.544 -4.302 -0.274 1.00 . A A . 7 PRO C 1 1 12 3773 1 1 7 PRO CA C -3.289 -3.800 -1.510 1.00 . A A . 7 PRO CA 1 1 12 3774 1 1 7 PRO CB C -4.160 -4.922 -2.105 1.00 . A A . 7 PRO CB 1 1 12 3775 1 1 7 PRO CD C -2.837 -4.009 -3.878 1.00 . A A . 7 PRO CD 1 1 12 3776 1 1 7 PRO CG C -3.558 -5.247 -3.435 1.00 . A A . 7 PRO CG 1 1 12 3777 1 1 7 PRO HA H -3.918 -2.970 -1.230 1.00 . A A . 7 PRO HA 1 1 12 3778 1 1 7 PRO HB2 H -4.142 -5.779 -1.447 1.00 . A A . 7 PRO HB2 1 1 12 3779 1 1 7 PRO HB3 H -5.176 -4.570 -2.210 1.00 . A A . 7 PRO HB3 1 1 12 3780 1 1 7 PRO HD2 H -2.000 -4.261 -4.512 1.00 . A A . 7 PRO HD2 1 1 12 3781 1 1 7 PRO HD3 H -3.511 -3.337 -4.387 1.00 . A A . 7 PRO HD3 1 1 12 3782 1 1 7 PRO HG2 H -2.865 -6.068 -3.333 1.00 . A A . 7 PRO HG2 1 1 12 3783 1 1 7 PRO HG3 H -4.339 -5.498 -4.138 1.00 . A A . 7 PRO HG3 1 1 12 3784 1 1 7 PRO N N -2.387 -3.437 -2.605 1.00 . A A . 7 PRO N 1 1 12 3785 1 1 7 PRO O O -1.780 -5.265 -0.345 1.00 . A A . 7 PRO O 1 1 12 3786 1 1 8 CYS C C -2.037 -5.511 2.296 1.00 . A A . 8 CYS C 1 1 12 3787 1 1 8 CYS CA C -2.148 -3.993 2.129 1.00 . A A . 8 CYS CA 1 1 12 3788 1 1 8 CYS CB C -2.958 -3.405 3.287 1.00 . A A . 8 CYS CB 1 1 12 3789 1 1 8 CYS H H -3.397 -2.878 0.839 1.00 . A A . 8 CYS H 1 1 12 3790 1 1 8 CYS HA H -1.158 -3.563 2.139 1.00 . A A . 8 CYS HA 1 1 12 3791 1 1 8 CYS HB2 H -3.444 -2.500 2.952 1.00 . A A . 8 CYS HB2 1 1 12 3792 1 1 8 CYS HB3 H -3.710 -4.119 3.587 1.00 . A A . 8 CYS HB3 1 1 12 3793 1 1 8 CYS N N -2.779 -3.636 0.857 1.00 . A A . 8 CYS N 1 1 12 3794 1 1 8 CYS O O -2.984 -6.244 2.010 1.00 . A A . 8 CYS O 1 1 12 3795 1 1 8 CYS SG S -1.979 -2.991 4.747 1.00 . A A . 8 CYS SG 1 1 12 3796 1 1 9 PRO C C -1.589 -8.046 3.995 1.00 . A A . 9 PRO C 1 1 12 3797 1 1 9 PRO CA C -0.648 -7.442 2.956 1.00 . A A . 9 PRO CA 1 1 12 3798 1 1 9 PRO CB C 0.805 -7.522 3.441 1.00 . A A . 9 PRO CB 1 1 12 3799 1 1 9 PRO CD C 0.313 -5.209 3.121 1.00 . A A . 9 PRO CD 1 1 12 3800 1 1 9 PRO CG C 1.113 -6.161 3.963 1.00 . A A . 9 PRO CG 1 1 12 3801 1 1 9 PRO HA H -0.747 -7.986 2.028 1.00 . A A . 9 PRO HA 1 1 12 3802 1 1 9 PRO HB2 H 0.887 -8.269 4.217 1.00 . A A . 9 PRO HB2 1 1 12 3803 1 1 9 PRO HB3 H 1.449 -7.781 2.615 1.00 . A A . 9 PRO HB3 1 1 12 3804 1 1 9 PRO HD2 H 0.035 -4.338 3.695 1.00 . A A . 9 PRO HD2 1 1 12 3805 1 1 9 PRO HD3 H 0.870 -4.923 2.241 1.00 . A A . 9 PRO HD3 1 1 12 3806 1 1 9 PRO HG2 H 0.816 -6.086 4.998 1.00 . A A . 9 PRO HG2 1 1 12 3807 1 1 9 PRO HG3 H 2.168 -5.957 3.858 1.00 . A A . 9 PRO HG3 1 1 12 3808 1 1 9 PRO N N -0.873 -6.005 2.758 1.00 . A A . 9 PRO N 1 1 12 3809 1 1 9 PRO O O -1.852 -9.248 3.981 1.00 . A A . 9 PRO O 1 1 12 3810 1 1 10 CYS C C -4.244 -8.313 5.338 1.00 . A A . 10 CYS C 1 1 12 3811 1 1 10 CYS CA C -2.999 -7.669 5.943 1.00 . A A . 10 CYS CA 1 1 12 3812 1 1 10 CYS CB C -3.398 -6.506 6.855 1.00 . A A . 10 CYS CB 1 1 12 3813 1 1 10 CYS H H -1.844 -6.260 4.861 1.00 . A A . 10 CYS H 1 1 12 3814 1 1 10 CYS HA H -2.478 -8.410 6.528 1.00 . A A . 10 CYS HA 1 1 12 3815 1 1 10 CYS HB2 H -3.946 -6.894 7.700 1.00 . A A . 10 CYS HB2 1 1 12 3816 1 1 10 CYS HB3 H -2.503 -6.014 7.208 1.00 . A A . 10 CYS HB3 1 1 12 3817 1 1 10 CYS N N -2.091 -7.208 4.898 1.00 . A A . 10 CYS N 1 1 12 3818 1 1 10 CYS O O -4.841 -9.212 5.931 1.00 . A A . 10 CYS O 1 1 12 3819 1 1 10 CYS SG S -4.436 -5.256 6.059 1.00 . A A . 10 CYS SG 1 1 12 3820 1 1 11 GLY C C -7.087 -7.722 3.939 1.00 . A A . 11 GLY C 1 1 12 3821 1 1 11 GLY CA C -5.802 -8.390 3.490 1.00 . A A . 11 GLY CA 1 1 12 3822 1 1 11 GLY H H -4.117 -7.130 3.728 1.00 . A A . 11 GLY H 1 1 12 3823 1 1 11 GLY HA2 H -5.693 -8.254 2.425 1.00 . A A . 11 GLY HA2 1 1 12 3824 1 1 11 GLY HA3 H -5.866 -9.447 3.703 1.00 . A A . 11 GLY HA3 1 1 12 3825 1 1 11 GLY N N -4.631 -7.847 4.154 1.00 . A A . 11 GLY N 1 1 12 3826 1 1 11 GLY O O -8.115 -8.382 4.095 1.00 . A A . 11 GLY O 1 1 12 3827 1 1 12 SER C C -8.989 -5.140 3.381 1.00 . A A . 12 SER C 1 1 12 3828 1 1 12 SER CA C -8.199 -5.654 4.580 1.00 . A A . 12 SER CA 1 1 12 3829 1 1 12 SER CB C -7.773 -4.481 5.465 1.00 . A A . 12 SER CB 1 1 12 3830 1 1 12 SER H H -6.181 -5.941 4.004 1.00 . A A . 12 SER H 1 1 12 3831 1 1 12 SER HA H -8.828 -6.317 5.153 1.00 . A A . 12 SER HA 1 1 12 3832 1 1 12 SER HB2 H -6.952 -3.959 4.999 1.00 . A A . 12 SER HB2 1 1 12 3833 1 1 12 SER HB3 H -8.607 -3.805 5.588 1.00 . A A . 12 SER HB3 1 1 12 3834 1 1 12 SER HG H -7.707 -4.344 7.418 1.00 . A A . 12 SER HG 1 1 12 3835 1 1 12 SER N N -7.029 -6.411 4.147 1.00 . A A . 12 SER N 1 1 12 3836 1 1 12 SER O O -10.214 -5.031 3.434 1.00 . A A . 12 SER O 1 1 12 3837 1 1 12 SER OG O -7.358 -4.931 6.744 1.00 . A A . 12 SER OG 1 1 12 3838 1 1 13 GLY C C -8.258 -3.086 0.551 1.00 . A A . 13 GLY C 1 1 12 3839 1 1 13 GLY CA C -8.931 -4.327 1.105 1.00 . A A . 13 GLY CA 1 1 12 3840 1 1 13 GLY H H -7.307 -4.934 2.318 1.00 . A A . 13 GLY H 1 1 12 3841 1 1 13 GLY HA2 H -8.914 -5.100 0.350 1.00 . A A . 13 GLY HA2 1 1 12 3842 1 1 13 GLY HA3 H -9.959 -4.090 1.339 1.00 . A A . 13 GLY HA3 1 1 12 3843 1 1 13 GLY N N -8.280 -4.826 2.302 1.00 . A A . 13 GLY N 1 1 12 3844 1 1 13 GLY O O -8.113 -2.938 -0.661 1.00 . A A . 13 GLY O 1 1 12 3845 1 1 14 LYS C C -5.684 -1.188 0.849 1.00 . A A . 14 LYS C 1 1 12 3846 1 1 14 LYS CA C -7.178 -0.959 1.042 1.00 . A A . 14 LYS CA 1 1 12 3847 1 1 14 LYS CB C -7.406 0.133 2.089 1.00 . A A . 14 LYS CB 1 1 12 3848 1 1 14 LYS CD C -8.935 1.056 3.858 1.00 . A A . 14 LYS CD 1 1 12 3849 1 1 14 LYS CE C -10.158 0.701 4.690 1.00 . A A . 14 LYS CE 1 1 12 3850 1 1 14 LYS CG C -8.831 0.185 2.616 1.00 . A A . 14 LYS CG 1 1 12 3851 1 1 14 LYS H H -7.986 -2.370 2.399 1.00 . A A . 14 LYS H 1 1 12 3852 1 1 14 LYS HA H -7.607 -0.642 0.104 1.00 . A A . 14 LYS HA 1 1 12 3853 1 1 14 LYS HB2 H -6.741 -0.041 2.924 1.00 . A A . 14 LYS HB2 1 1 12 3854 1 1 14 LYS HB3 H -7.173 1.092 1.650 1.00 . A A . 14 LYS HB3 1 1 12 3855 1 1 14 LYS HD2 H -8.050 0.914 4.461 1.00 . A A . 14 LYS HD2 1 1 12 3856 1 1 14 LYS HD3 H -9.005 2.091 3.555 1.00 . A A . 14 LYS HD3 1 1 12 3857 1 1 14 LYS HE2 H -10.788 0.037 4.116 1.00 . A A . 14 LYS HE2 1 1 12 3858 1 1 14 LYS HE3 H -9.832 0.197 5.589 1.00 . A A . 14 LYS HE3 1 1 12 3859 1 1 14 LYS HG2 H -9.473 0.591 1.850 1.00 . A A . 14 LYS HG2 1 1 12 3860 1 1 14 LYS HG3 H -9.150 -0.818 2.863 1.00 . A A . 14 LYS HG3 1 1 12 3861 1 1 14 LYS HZ1 H -10.672 2.227 6.019 1.00 . A A . 14 LYS HZ1 1 1 12 3862 1 1 14 LYS HZ2 H -11.960 1.689 5.064 1.00 . A A . 14 LYS HZ2 1 1 12 3863 1 1 14 LYS HZ3 H -10.763 2.677 4.390 1.00 . A A . 14 LYS HZ3 1 1 12 3864 1 1 14 LYS N N -7.843 -2.194 1.445 1.00 . A A . 14 LYS N 1 1 12 3865 1 1 14 LYS NZ N -10.943 1.908 5.068 1.00 . A A . 14 LYS NZ 1 1 12 3866 1 1 14 LYS O O -5.143 -2.208 1.276 1.00 . A A . 14 LYS O 1 1 12 3867 1 1 15 LYS C C -2.815 -0.078 1.267 1.00 . A A . 15 LYS C 1 1 12 3868 1 1 15 LYS CA C -3.583 -0.331 -0.023 1.00 . A A . 15 LYS CA 1 1 12 3869 1 1 15 LYS CB C -3.134 0.662 -1.097 1.00 . A A . 15 LYS CB 1 1 12 3870 1 1 15 LYS CD C -4.012 -0.501 -3.143 1.00 . A A . 15 LYS CD 1 1 12 3871 1 1 15 LYS CE C -5.129 -1.469 -2.793 1.00 . A A . 15 LYS CE 1 1 12 3872 1 1 15 LYS CG C -4.074 0.752 -2.286 1.00 . A A . 15 LYS CG 1 1 12 3873 1 1 15 LYS H H -5.501 0.565 -0.097 1.00 . A A . 15 LYS H 1 1 12 3874 1 1 15 LYS HA H -3.373 -1.333 -0.361 1.00 . A A . 15 LYS HA 1 1 12 3875 1 1 15 LYS HB2 H -3.054 1.642 -0.653 1.00 . A A . 15 LYS HB2 1 1 12 3876 1 1 15 LYS HB3 H -2.162 0.362 -1.459 1.00 . A A . 15 LYS HB3 1 1 12 3877 1 1 15 LYS HD2 H -4.104 -0.221 -4.181 1.00 . A A . 15 LYS HD2 1 1 12 3878 1 1 15 LYS HD3 H -3.061 -0.988 -2.982 1.00 . A A . 15 LYS HD3 1 1 12 3879 1 1 15 LYS HE2 H -4.885 -2.441 -3.193 1.00 . A A . 15 LYS HE2 1 1 12 3880 1 1 15 LYS HE3 H -5.208 -1.532 -1.717 1.00 . A A . 15 LYS HE3 1 1 12 3881 1 1 15 LYS HG2 H -5.083 0.880 -1.927 1.00 . A A . 15 LYS HG2 1 1 12 3882 1 1 15 LYS HG3 H -3.794 1.603 -2.888 1.00 . A A . 15 LYS HG3 1 1 12 3883 1 1 15 LYS HZ1 H -6.609 -1.489 -4.268 1.00 . A A . 15 LYS HZ1 1 1 12 3884 1 1 15 LYS HZ2 H -6.444 0.000 -3.484 1.00 . A A . 15 LYS HZ2 1 1 12 3885 1 1 15 LYS HZ3 H -7.209 -1.288 -2.698 1.00 . A A . 15 LYS HZ3 1 1 12 3886 1 1 15 LYS N N -5.018 -0.228 0.213 1.00 . A A . 15 LYS N 1 1 12 3887 1 1 15 LYS NZ N -6.439 -1.031 -3.350 1.00 . A A . 15 LYS NZ 1 1 12 3888 1 1 15 LYS O O -3.411 0.120 2.326 1.00 . A A . 15 LYS O 1 1 12 3889 1 1 16 TYR C C -0.910 1.525 2.937 1.00 . A A . 16 TYR C 1 1 12 3890 1 1 16 TYR CA C -0.651 0.144 2.340 1.00 . A A . 16 TYR CA 1 1 12 3891 1 1 16 TYR CB C 0.822 -0.003 1.962 1.00 . A A . 16 TYR CB 1 1 12 3892 1 1 16 TYR CD1 C 1.178 -1.685 3.804 1.00 . A A . 16 TYR CD1 1 1 12 3893 1 1 16 TYR CD2 C 2.951 -0.172 3.303 1.00 . A A . 16 TYR CD2 1 1 12 3894 1 1 16 TYR CE1 C 1.943 -2.261 4.799 1.00 . A A . 16 TYR CE1 1 1 12 3895 1 1 16 TYR CE2 C 3.724 -0.745 4.295 1.00 . A A . 16 TYR CE2 1 1 12 3896 1 1 16 TYR CG C 1.667 -0.633 3.041 1.00 . A A . 16 TYR CG 1 1 12 3897 1 1 16 TYR CZ C 3.216 -1.788 5.042 1.00 . A A . 16 TYR CZ 1 1 12 3898 1 1 16 TYR H H -1.071 -0.250 0.304 1.00 . A A . 16 TYR H 1 1 12 3899 1 1 16 TYR HA H -0.901 -0.602 3.077 1.00 . A A . 16 TYR HA 1 1 12 3900 1 1 16 TYR HB2 H 0.899 -0.621 1.081 1.00 . A A . 16 TYR HB2 1 1 12 3901 1 1 16 TYR HB3 H 1.231 0.974 1.747 1.00 . A A . 16 TYR HB3 1 1 12 3902 1 1 16 TYR HD1 H 0.183 -2.056 3.609 1.00 . A A . 16 TYR HD1 1 1 12 3903 1 1 16 TYR HD2 H 3.346 0.645 2.713 1.00 . A A . 16 TYR HD2 1 1 12 3904 1 1 16 TYR HE1 H 1.542 -3.077 5.382 1.00 . A A . 16 TYR HE1 1 1 12 3905 1 1 16 TYR HE2 H 4.721 -0.374 4.485 1.00 . A A . 16 TYR HE2 1 1 12 3906 1 1 16 TYR HH H 3.429 -2.556 6.791 1.00 . A A . 16 TYR HH 1 1 12 3907 1 1 16 TYR N N -1.492 -0.085 1.175 1.00 . A A . 16 TYR N 1 1 12 3908 1 1 16 TYR O O -1.281 1.644 4.104 1.00 . A A . 16 TYR O 1 1 12 3909 1 1 16 TYR OH O 3.982 -2.359 6.031 1.00 . A A . 16 TYR OH 1 1 12 3910 1 1 17 LYS C C -2.403 4.150 2.956 1.00 . A A . 17 LYS C 1 1 12 3911 1 1 17 LYS CA C -0.938 3.932 2.585 1.00 . A A . 17 LYS CA 1 1 12 3912 1 1 17 LYS CB C -0.523 4.926 1.500 1.00 . A A . 17 LYS CB 1 1 12 3913 1 1 17 LYS CD C -1.582 5.824 -0.597 1.00 . A A . 17 LYS CD 1 1 12 3914 1 1 17 LYS CE C -1.927 5.522 -2.046 1.00 . A A . 17 LYS CE 1 1 12 3915 1 1 17 LYS CG C -1.072 4.586 0.123 1.00 . A A . 17 LYS CG 1 1 12 3916 1 1 17 LYS H H -0.424 2.406 1.208 1.00 . A A . 17 LYS H 1 1 12 3917 1 1 17 LYS HA H -0.329 4.093 3.462 1.00 . A A . 17 LYS HA 1 1 12 3918 1 1 17 LYS HB2 H -0.877 5.909 1.773 1.00 . A A . 17 LYS HB2 1 1 12 3919 1 1 17 LYS HB3 H 0.555 4.946 1.438 1.00 . A A . 17 LYS HB3 1 1 12 3920 1 1 17 LYS HD2 H -2.467 6.183 -0.094 1.00 . A A . 17 LYS HD2 1 1 12 3921 1 1 17 LYS HD3 H -0.816 6.585 -0.569 1.00 . A A . 17 LYS HD3 1 1 12 3922 1 1 17 LYS HE2 H -1.046 5.673 -2.653 1.00 . A A . 17 LYS HE2 1 1 12 3923 1 1 17 LYS HE3 H -2.242 4.491 -2.120 1.00 . A A . 17 LYS HE3 1 1 12 3924 1 1 17 LYS HG2 H -0.287 4.137 -0.466 1.00 . A A . 17 LYS HG2 1 1 12 3925 1 1 17 LYS HG3 H -1.886 3.885 0.235 1.00 . A A . 17 LYS HG3 1 1 12 3926 1 1 17 LYS HZ1 H -3.615 5.877 -3.225 1.00 . A A . 17 LYS HZ1 1 1 12 3927 1 1 17 LYS HZ2 H -2.617 7.230 -3.034 1.00 . A A . 17 LYS HZ2 1 1 12 3928 1 1 17 LYS HZ3 H -3.611 6.726 -1.761 1.00 . A A . 17 LYS HZ3 1 1 12 3929 1 1 17 LYS N N -0.717 2.563 2.130 1.00 . A A . 17 LYS N 1 1 12 3930 1 1 17 LYS NZ N -3.019 6.399 -2.552 1.00 . A A . 17 LYS NZ 1 1 12 3931 1 1 17 LYS O O -2.727 5.008 3.776 1.00 . A A . 17 LYS O 1 1 12 3932 1 1 18 GLN C C -5.148 2.501 3.697 1.00 . A A . 18 GLN C 1 1 12 3933 1 1 18 GLN CA C -4.717 3.462 2.600 1.00 . A A . 18 GLN CA 1 1 12 3934 1 1 18 GLN CB C -5.500 3.129 1.334 1.00 . A A . 18 GLN CB 1 1 12 3935 1 1 18 GLN CD C -5.981 4.443 -0.771 1.00 . A A . 18 GLN CD 1 1 12 3936 1 1 18 GLN CG C -4.925 3.755 0.073 1.00 . A A . 18 GLN CG 1 1 12 3937 1 1 18 GLN H H -2.961 2.699 1.698 1.00 . A A . 18 GLN H 1 1 12 3938 1 1 18 GLN HA H -4.940 4.473 2.902 1.00 . A A . 18 GLN HA 1 1 12 3939 1 1 18 GLN HB2 H -5.507 2.053 1.212 1.00 . A A . 18 GLN HB2 1 1 12 3940 1 1 18 GLN HB3 H -6.517 3.474 1.454 1.00 . A A . 18 GLN HB3 1 1 12 3941 1 1 18 GLN HE21 H -6.818 2.690 -1.196 1.00 . A A . 18 GLN HE21 1 1 12 3942 1 1 18 GLN HE22 H -7.577 4.073 -1.899 1.00 . A A . 18 GLN HE22 1 1 12 3943 1 1 18 GLN HG2 H -4.181 4.485 0.355 1.00 . A A . 18 GLN HG2 1 1 12 3944 1 1 18 GLN HG3 H -4.462 2.979 -0.518 1.00 . A A . 18 GLN HG3 1 1 12 3945 1 1 18 GLN N N -3.283 3.363 2.343 1.00 . A A . 18 GLN N 1 1 12 3946 1 1 18 GLN NE2 N -6.883 3.655 -1.346 1.00 . A A . 18 GLN NE2 1 1 12 3947 1 1 18 GLN O O -6.337 2.219 3.846 1.00 . A A . 18 GLN O 1 1 12 3948 1 1 18 GLN OE1 O -5.986 5.666 -0.905 1.00 . A A . 18 GLN OE1 1 1 12 3949 1 1 19 CYS C C -3.503 1.104 6.639 1.00 . A A . 19 CYS C 1 1 12 3950 1 1 19 CYS CA C -4.508 1.025 5.496 1.00 . A A . 19 CYS CA 1 1 12 3951 1 1 19 CYS CB C -4.552 -0.381 4.899 1.00 . A A . 19 CYS CB 1 1 12 3952 1 1 19 CYS H H -3.254 2.214 4.278 1.00 . A A . 19 CYS H 1 1 12 3953 1 1 19 CYS HA H -5.487 1.272 5.878 1.00 . A A . 19 CYS HA 1 1 12 3954 1 1 19 CYS HB2 H -5.043 -0.331 3.934 1.00 . A A . 19 CYS HB2 1 1 12 3955 1 1 19 CYS HB3 H -3.544 -0.742 4.763 1.00 . A A . 19 CYS HB3 1 1 12 3956 1 1 19 CYS N N -4.190 1.974 4.445 1.00 . A A . 19 CYS N 1 1 12 3957 1 1 19 CYS O O -3.778 1.705 7.677 1.00 . A A . 19 CYS O 1 1 12 3958 1 1 19 CYS SG S -5.439 -1.590 5.910 1.00 . A A . 19 CYS SG 1 1 12 3959 1 1 20 HIS C C -0.176 1.471 7.082 1.00 . A A . 20 HIS C 1 1 12 3960 1 1 20 HIS CA C -1.301 0.514 7.469 1.00 . A A . 20 HIS CA 1 1 12 3961 1 1 20 HIS CB C -0.761 -0.900 7.694 1.00 . A A . 20 HIS CB 1 1 12 3962 1 1 20 HIS CD2 C -1.752 -1.710 9.931 1.00 . A A . 20 HIS CD2 1 1 12 3963 1 1 20 HIS CE1 C -3.102 -3.210 9.112 1.00 . A A . 20 HIS CE1 1 1 12 3964 1 1 20 HIS CG C -1.633 -1.730 8.583 1.00 . A A . 20 HIS CG 1 1 12 3965 1 1 20 HIS H H -2.167 0.037 5.600 1.00 . A A . 20 HIS H 1 1 12 3966 1 1 20 HIS HA H -1.750 0.865 8.386 1.00 . A A . 20 HIS HA 1 1 12 3967 1 1 20 HIS HB2 H -0.678 -1.403 6.742 1.00 . A A . 20 HIS HB2 1 1 12 3968 1 1 20 HIS HB3 H 0.217 -0.837 8.150 1.00 . A A . 20 HIS HB3 1 1 12 3969 1 1 20 HIS HD2 H -1.218 -1.070 10.616 1.00 . A A . 20 HIS HD2 1 1 12 3970 1 1 20 HIS HE1 H -3.844 -3.992 9.046 1.00 . A A . 20 HIS HE1 1 1 12 3971 1 1 20 HIS HE2 H -3.117 -2.757 11.138 1.00 . A A . 20 HIS HE2 1 1 12 3972 1 1 20 HIS N N -2.337 0.500 6.447 1.00 . A A . 20 HIS N 1 1 12 3973 1 1 20 HIS ND1 N -2.488 -2.677 8.071 1.00 . A A . 20 HIS ND1 1 1 12 3974 1 1 20 HIS NE2 N -2.689 -2.655 10.262 1.00 . A A . 20 HIS NE2 1 1 12 3975 1 1 20 HIS O O -0.190 2.637 7.472 1.00 . A A . 20 HIS O 1 1 12 3976 1 1 21 GLY C C 2.593 2.512 7.021 1.00 . A A . 21 GLY C 1 1 12 3977 1 1 21 GLY CA C 1.899 1.808 5.872 1.00 . A A . 21 GLY CA 1 1 12 3978 1 1 21 GLY H H 0.741 0.045 6.019 1.00 . A A . 21 GLY H 1 1 12 3979 1 1 21 GLY HA2 H 2.618 1.186 5.362 1.00 . A A . 21 GLY HA2 1 1 12 3980 1 1 21 GLY HA3 H 1.529 2.551 5.181 1.00 . A A . 21 GLY HA3 1 1 12 3981 1 1 21 GLY N N 0.788 0.978 6.305 1.00 . A A . 21 GLY N 1 1 12 3982 1 1 21 GLY O O 3.604 2.033 7.535 1.00 . A A . 21 GLY O 1 1 12 3983 1 1 22 ARG C C 1.865 4.159 9.819 1.00 . A A . 22 ARG C 1 1 12 3984 1 1 22 ARG CA C 2.612 4.432 8.517 1.00 . A A . 22 ARG CA 1 1 12 3985 1 1 22 ARG CB C 2.564 5.926 8.185 1.00 . A A . 22 ARG CB 1 1 12 3986 1 1 22 ARG CD C 3.854 7.730 7.004 1.00 . A A . 22 ARG CD 1 1 12 3987 1 1 22 ARG CG C 3.934 6.538 7.944 1.00 . A A . 22 ARG CG 1 1 12 3988 1 1 22 ARG CZ C 5.400 9.435 6.126 1.00 . A A . 22 ARG CZ 1 1 12 3989 1 1 22 ARG H H 1.237 3.976 6.970 1.00 . A A . 22 ARG H 1 1 12 3990 1 1 22 ARG HA H 3.642 4.132 8.638 1.00 . A A . 22 ARG HA 1 1 12 3991 1 1 22 ARG HB2 H 1.969 6.066 7.295 1.00 . A A . 22 ARG HB2 1 1 12 3992 1 1 22 ARG HB3 H 2.098 6.453 9.006 1.00 . A A . 22 ARG HB3 1 1 12 3993 1 1 22 ARG HD2 H 3.330 7.430 6.109 1.00 . A A . 22 ARG HD2 1 1 12 3994 1 1 22 ARG HD3 H 3.305 8.522 7.493 1.00 . A A . 22 ARG HD3 1 1 12 3995 1 1 22 ARG HE H 5.940 7.626 6.774 1.00 . A A . 22 ARG HE 1 1 12 3996 1 1 22 ARG HG2 H 4.342 6.865 8.889 1.00 . A A . 22 ARG HG2 1 1 12 3997 1 1 22 ARG HG3 H 4.581 5.790 7.510 1.00 . A A . 22 ARG HG3 1 1 12 3998 1 1 22 ARG HH11 H 3.457 10.000 6.153 1.00 . A A . 22 ARG HH11 1 1 12 3999 1 1 22 ARG HH12 H 4.565 11.182 5.540 1.00 . A A . 22 ARG HH12 1 1 12 4000 1 1 22 ARG HH21 H 7.398 9.179 5.969 1.00 . A A . 22 ARG HH21 1 1 12 4001 1 1 22 ARG HH22 H 6.803 10.716 5.435 1.00 . A A . 22 ARG HH22 1 1 12 4002 1 1 22 ARG N N 2.046 3.652 7.422 1.00 . A A . 22 ARG N 1 1 12 4003 1 1 22 ARG NE N 5.177 8.226 6.636 1.00 . A A . 22 ARG NE 1 1 12 4004 1 1 22 ARG NH1 N 4.391 10.274 5.923 1.00 . A A . 22 ARG NH1 1 1 12 4005 1 1 22 ARG NH2 N 6.635 9.807 5.818 1.00 . A A . 22 ARG NH2 1 1 12 4006 1 1 22 ARG O O 2.533 3.863 10.833 1.00 . A A . 22 ARG O 1 1 12 4007 1 1 22 ARG OXT O 0.619 4.246 9.815 1.00 . A A . 22 ARG OXT 1 1 12 4008 2 2 1 ZN ZN ZN -3.658 -3.057 6.401 1.00 . B A . 23 ZN ZN 1 1 13 4009 1 1 1 LYS C C 8.888 -2.236 0.744 1.00 . A A . 1 LYS C 1 1 13 4010 1 1 1 LYS CA C 9.889 -1.631 1.723 1.00 . A A . 1 LYS CA 1 1 13 4011 1 1 1 LYS CB C 9.807 -0.102 1.692 1.00 . A A . 1 LYS CB 1 1 13 4012 1 1 1 LYS CD C 10.220 0.948 3.937 1.00 . A A . 1 LYS CD 1 1 13 4013 1 1 1 LYS CE C 10.599 -0.176 4.888 1.00 . A A . 1 LYS CE 1 1 13 4014 1 1 1 LYS CG C 9.170 0.497 2.935 1.00 . A A . 1 LYS CG 1 1 13 4015 1 1 1 LYS H1 H 11.918 -1.556 2.053 1.00 . A A . 1 LYS H1 1 1 13 4016 1 1 1 LYS H2 H 11.467 -1.741 0.408 1.00 . A A . 1 LYS H2 1 1 13 4017 1 1 1 LYS H3 H 11.342 -3.068 1.488 1.00 . A A . 1 LYS H3 1 1 13 4018 1 1 1 LYS HA H 9.662 -1.979 2.720 1.00 . A A . 1 LYS HA 1 1 13 4019 1 1 1 LYS HB2 H 10.805 0.298 1.597 1.00 . A A . 1 LYS HB2 1 1 13 4020 1 1 1 LYS HB3 H 9.224 0.200 0.834 1.00 . A A . 1 LYS HB3 1 1 13 4021 1 1 1 LYS HD2 H 11.102 1.265 3.401 1.00 . A A . 1 LYS HD2 1 1 13 4022 1 1 1 LYS HD3 H 9.827 1.775 4.508 1.00 . A A . 1 LYS HD3 1 1 13 4023 1 1 1 LYS HE2 H 10.323 -1.119 4.441 1.00 . A A . 1 LYS HE2 1 1 13 4024 1 1 1 LYS HE3 H 11.668 -0.152 5.044 1.00 . A A . 1 LYS HE3 1 1 13 4025 1 1 1 LYS HG2 H 8.573 1.350 2.647 1.00 . A A . 1 LYS HG2 1 1 13 4026 1 1 1 LYS HG3 H 8.537 -0.246 3.398 1.00 . A A . 1 LYS HG3 1 1 13 4027 1 1 1 LYS HZ1 H 9.045 0.518 6.099 1.00 . A A . 1 LYS HZ1 1 1 13 4028 1 1 1 LYS HZ2 H 10.538 0.426 6.887 1.00 . A A . 1 LYS HZ2 1 1 13 4029 1 1 1 LYS HZ3 H 9.663 -0.985 6.570 1.00 . A A . 1 LYS HZ3 1 1 13 4030 1 1 1 LYS N N 11.279 -2.035 1.388 1.00 . A A . 1 LYS N 1 1 13 4031 1 1 1 LYS NZ N 9.913 -0.045 6.203 1.00 . A A . 1 LYS NZ 1 1 13 4032 1 1 1 LYS O O 9.272 -2.894 -0.223 1.00 . A A . 1 LYS O 1 1 13 4033 1 1 2 VAL C C 5.986 -1.443 -0.760 1.00 . A A . 2 VAL C 1 1 13 4034 1 1 2 VAL CA C 6.550 -2.532 0.142 1.00 . A A . 2 VAL CA 1 1 13 4035 1 1 2 VAL CB C 5.394 -3.135 0.966 1.00 . A A . 2 VAL CB 1 1 13 4036 1 1 2 VAL CG1 C 4.719 -2.063 1.813 1.00 . A A . 2 VAL CG1 1 1 13 4037 1 1 2 VAL CG2 C 4.381 -3.812 0.051 1.00 . A A . 2 VAL CG2 1 1 13 4038 1 1 2 VAL H H 7.361 -1.477 1.788 1.00 . A A . 2 VAL H 1 1 13 4039 1 1 2 VAL HA H 6.974 -3.313 -0.472 1.00 . A A . 2 VAL HA 1 1 13 4040 1 1 2 VAL HB H 5.802 -3.883 1.630 1.00 . A A . 2 VAL HB 1 1 13 4041 1 1 2 VAL HG11 H 3.794 -2.450 2.213 1.00 . A A . 2 VAL HG11 1 1 13 4042 1 1 2 VAL HG12 H 4.511 -1.197 1.201 1.00 . A A . 2 VAL HG12 1 1 13 4043 1 1 2 VAL HG13 H 5.373 -1.782 2.626 1.00 . A A . 2 VAL HG13 1 1 13 4044 1 1 2 VAL HG21 H 3.816 -4.540 0.614 1.00 . A A . 2 VAL HG21 1 1 13 4045 1 1 2 VAL HG22 H 4.900 -4.305 -0.757 1.00 . A A . 2 VAL HG22 1 1 13 4046 1 1 2 VAL HG23 H 3.709 -3.069 -0.355 1.00 . A A . 2 VAL HG23 1 1 13 4047 1 1 2 VAL N N 7.605 -2.009 1.002 1.00 . A A . 2 VAL N 1 1 13 4048 1 1 2 VAL O O 6.088 -0.255 -0.456 1.00 . A A . 2 VAL O 1 1 13 4049 1 1 3 GLY C C 3.440 -0.415 -2.262 1.00 . A A . 3 GLY C 1 1 13 4050 1 1 3 GLY CA C 4.777 -0.908 -2.772 1.00 . A A . 3 GLY CA 1 1 13 4051 1 1 3 GLY H H 5.305 -2.819 -2.042 1.00 . A A . 3 GLY H 1 1 13 4052 1 1 3 GLY HA2 H 5.444 -0.065 -2.888 1.00 . A A . 3 GLY HA2 1 1 13 4053 1 1 3 GLY HA3 H 4.634 -1.381 -3.732 1.00 . A A . 3 GLY HA3 1 1 13 4054 1 1 3 GLY N N 5.370 -1.859 -1.859 1.00 . A A . 3 GLY N 1 1 13 4055 1 1 3 GLY O O 2.399 -0.955 -2.624 1.00 . A A . 3 GLY O 1 1 13 4056 1 1 4 ARG C C 1.086 1.206 -1.770 1.00 . A A . 4 ARG C 1 1 13 4057 1 1 4 ARG CA C 2.266 1.171 -0.797 1.00 . A A . 4 ARG CA 1 1 13 4058 1 1 4 ARG CB C 2.523 2.581 -0.253 1.00 . A A . 4 ARG CB 1 1 13 4059 1 1 4 ARG CD C 4.325 4.279 0.071 1.00 . A A . 4 ARG CD 1 1 13 4060 1 1 4 ARG CG C 3.682 3.316 -0.907 1.00 . A A . 4 ARG CG 1 1 13 4061 1 1 4 ARG CZ C 6.713 3.674 0.127 1.00 . A A . 4 ARG CZ 1 1 13 4062 1 1 4 ARG H H 4.349 0.959 -1.135 1.00 . A A . 4 ARG H 1 1 13 4063 1 1 4 ARG HA H 2.001 0.538 0.030 1.00 . A A . 4 ARG HA 1 1 13 4064 1 1 4 ARG HB2 H 1.632 3.173 -0.394 1.00 . A A . 4 ARG HB2 1 1 13 4065 1 1 4 ARG HB3 H 2.726 2.509 0.805 1.00 . A A . 4 ARG HB3 1 1 13 4066 1 1 4 ARG HD2 H 3.799 5.221 0.025 1.00 . A A . 4 ARG HD2 1 1 13 4067 1 1 4 ARG HD3 H 4.237 3.865 1.065 1.00 . A A . 4 ARG HD3 1 1 13 4068 1 1 4 ARG HE H 5.971 5.322 -0.718 1.00 . A A . 4 ARG HE 1 1 13 4069 1 1 4 ARG HG2 H 4.421 2.601 -1.227 1.00 . A A . 4 ARG HG2 1 1 13 4070 1 1 4 ARG HG3 H 3.314 3.868 -1.757 1.00 . A A . 4 ARG HG3 1 1 13 4071 1 1 4 ARG HH11 H 5.489 2.338 1.027 1.00 . A A . 4 ARG HH11 1 1 13 4072 1 1 4 ARG HH12 H 7.173 1.937 1.055 1.00 . A A . 4 ARG HH12 1 1 13 4073 1 1 4 ARG HH21 H 8.185 4.796 -0.682 1.00 . A A . 4 ARG HH21 1 1 13 4074 1 1 4 ARG HH22 H 8.704 3.333 0.085 1.00 . A A . 4 ARG HH22 1 1 13 4075 1 1 4 ARG N N 3.478 0.598 -1.397 1.00 . A A . 4 ARG N 1 1 13 4076 1 1 4 ARG NE N 5.737 4.505 -0.228 1.00 . A A . 4 ARG NE 1 1 13 4077 1 1 4 ARG NH1 N 6.436 2.558 0.791 1.00 . A A . 4 ARG NH1 1 1 13 4078 1 1 4 ARG NH2 N 7.971 3.958 -0.182 1.00 . A A . 4 ARG NH2 1 1 13 4079 1 1 4 ARG O O -0.068 1.108 -1.356 1.00 . A A . 4 ARG O 1 1 13 4080 1 1 5 ASN C C -0.352 0.030 -4.260 1.00 . A A . 5 ASN C 1 1 13 4081 1 1 5 ASN CA C 0.331 1.392 -4.079 1.00 . A A . 5 ASN CA 1 1 13 4082 1 1 5 ASN CB C 0.919 1.857 -5.412 1.00 . A A . 5 ASN CB 1 1 13 4083 1 1 5 ASN CG C -0.090 2.604 -6.260 1.00 . A A . 5 ASN CG 1 1 13 4084 1 1 5 ASN H H 2.312 1.421 -3.334 1.00 . A A . 5 ASN H 1 1 13 4085 1 1 5 ASN HA H -0.408 2.109 -3.756 1.00 . A A . 5 ASN HA 1 1 13 4086 1 1 5 ASN HB2 H 1.756 2.512 -5.220 1.00 . A A . 5 ASN HB2 1 1 13 4087 1 1 5 ASN HB3 H 1.261 0.995 -5.967 1.00 . A A . 5 ASN HB3 1 1 13 4088 1 1 5 ASN HD21 H -1.079 0.917 -6.616 1.00 . A A . 5 ASN HD21 1 1 13 4089 1 1 5 ASN HD22 H -1.732 2.338 -7.350 1.00 . A A . 5 ASN HD22 1 1 13 4090 1 1 5 ASN N N 1.376 1.345 -3.059 1.00 . A A . 5 ASN N 1 1 13 4091 1 1 5 ASN ND2 N -1.066 1.880 -6.796 1.00 . A A . 5 ASN ND2 1 1 13 4092 1 1 5 ASN O O -1.251 -0.112 -5.088 1.00 . A A . 5 ASN O 1 1 13 4093 1 1 5 ASN OD1 O 0.006 3.820 -6.433 1.00 . A A . 5 ASN OD1 1 1 13 4094 1 1 6 ASP C C -1.377 -2.595 -2.366 1.00 . A A . 6 ASP C 1 1 13 4095 1 1 6 ASP CA C -0.490 -2.307 -3.574 1.00 . A A . 6 ASP CA 1 1 13 4096 1 1 6 ASP CB C 0.635 -3.347 -3.671 1.00 . A A . 6 ASP CB 1 1 13 4097 1 1 6 ASP CG C 0.169 -4.760 -3.371 1.00 . A A . 6 ASP CG 1 1 13 4098 1 1 6 ASP H H 0.798 -0.804 -2.850 1.00 . A A . 6 ASP H 1 1 13 4099 1 1 6 ASP HA H -1.091 -2.355 -4.470 1.00 . A A . 6 ASP HA 1 1 13 4100 1 1 6 ASP HB2 H 1.040 -3.332 -4.670 1.00 . A A . 6 ASP HB2 1 1 13 4101 1 1 6 ASP HB3 H 1.415 -3.088 -2.968 1.00 . A A . 6 ASP HB3 1 1 13 4102 1 1 6 ASP N N 0.079 -0.967 -3.489 1.00 . A A . 6 ASP N 1 1 13 4103 1 1 6 ASP O O -1.112 -2.118 -1.262 1.00 . A A . 6 ASP O 1 1 13 4104 1 1 6 ASP OD1 O -0.003 -5.088 -2.178 1.00 . A A . 6 ASP OD1 1 1 13 4105 1 1 6 ASP OD2 O -0.023 -5.538 -4.329 1.00 . A A . 6 ASP OD2 1 1 13 4106 1 1 7 PRO C C -2.646 -4.224 -0.228 1.00 . A A . 7 PRO C 1 1 13 4107 1 1 7 PRO CA C -3.371 -3.743 -1.481 1.00 . A A . 7 PRO CA 1 1 13 4108 1 1 7 PRO CB C -4.199 -4.875 -2.089 1.00 . A A . 7 PRO CB 1 1 13 4109 1 1 7 PRO CD C -2.832 -4.000 -3.846 1.00 . A A . 7 PRO CD 1 1 13 4110 1 1 7 PRO CG C -4.174 -4.616 -3.555 1.00 . A A . 7 PRO CG 1 1 13 4111 1 1 7 PRO HA H -4.018 -2.916 -1.227 1.00 . A A . 7 PRO HA 1 1 13 4112 1 1 7 PRO HB2 H -3.747 -5.826 -1.846 1.00 . A A . 7 PRO HB2 1 1 13 4113 1 1 7 PRO HB3 H -5.205 -4.839 -1.700 1.00 . A A . 7 PRO HB3 1 1 13 4114 1 1 7 PRO HD2 H -2.124 -4.759 -4.141 1.00 . A A . 7 PRO HD2 1 1 13 4115 1 1 7 PRO HD3 H -2.921 -3.248 -4.617 1.00 . A A . 7 PRO HD3 1 1 13 4116 1 1 7 PRO HG2 H -4.284 -5.545 -4.094 1.00 . A A . 7 PRO HG2 1 1 13 4117 1 1 7 PRO HG3 H -4.965 -3.931 -3.821 1.00 . A A . 7 PRO HG3 1 1 13 4118 1 1 7 PRO N N -2.445 -3.388 -2.559 1.00 . A A . 7 PRO N 1 1 13 4119 1 1 7 PRO O O -1.875 -5.182 -0.276 1.00 . A A . 7 PRO O 1 1 13 4120 1 1 8 CYS C C -2.182 -5.409 2.363 1.00 . A A . 8 CYS C 1 1 13 4121 1 1 8 CYS CA C -2.278 -3.892 2.173 1.00 . A A . 8 CYS CA 1 1 13 4122 1 1 8 CYS CB C -3.078 -3.276 3.323 1.00 . A A . 8 CYS CB 1 1 13 4123 1 1 8 CYS H H -3.521 -2.792 0.857 1.00 . A A . 8 CYS H 1 1 13 4124 1 1 8 CYS HA H -1.283 -3.475 2.178 1.00 . A A . 8 CYS HA 1 1 13 4125 1 1 8 CYS HB2 H -3.469 -2.321 3.007 1.00 . A A . 8 CYS HB2 1 1 13 4126 1 1 8 CYS HB3 H -3.899 -3.932 3.570 1.00 . A A . 8 CYS HB3 1 1 13 4127 1 1 8 CYS N N -2.900 -3.548 0.893 1.00 . A A . 8 CYS N 1 1 13 4128 1 1 8 CYS O O -3.148 -6.133 2.118 1.00 . A A . 8 CYS O 1 1 13 4129 1 1 8 CYS SG S -2.119 -3.003 4.830 1.00 . A A . 8 CYS SG 1 1 13 4130 1 1 9 PRO C C -1.671 -7.914 4.131 1.00 . A A . 9 PRO C 1 1 13 4131 1 1 9 PRO CA C -0.798 -7.347 3.015 1.00 . A A . 9 PRO CA 1 1 13 4132 1 1 9 PRO CB C 0.683 -7.440 3.398 1.00 . A A . 9 PRO CB 1 1 13 4133 1 1 9 PRO CD C 0.194 -5.122 3.112 1.00 . A A . 9 PRO CD 1 1 13 4134 1 1 9 PRO CG C 1.036 -6.083 3.900 1.00 . A A . 9 PRO CG 1 1 13 4135 1 1 9 PRO HA H -0.971 -7.909 2.109 1.00 . A A . 9 PRO HA 1 1 13 4136 1 1 9 PRO HB2 H 0.812 -8.191 4.164 1.00 . A A . 9 PRO HB2 1 1 13 4137 1 1 9 PRO HB3 H 1.267 -7.702 2.528 1.00 . A A . 9 PRO HB3 1 1 13 4138 1 1 9 PRO HD2 H -0.053 -4.257 3.710 1.00 . A A . 9 PRO HD2 1 1 13 4139 1 1 9 PRO HD3 H 0.706 -4.824 2.209 1.00 . A A . 9 PRO HD3 1 1 13 4140 1 1 9 PRO HG2 H 0.805 -6.009 4.953 1.00 . A A . 9 PRO HG2 1 1 13 4141 1 1 9 PRO HG3 H 2.085 -5.890 3.729 1.00 . A A . 9 PRO HG3 1 1 13 4142 1 1 9 PRO N N -1.011 -5.910 2.799 1.00 . A A . 9 PRO N 1 1 13 4143 1 1 9 PRO O O -1.838 -9.129 4.241 1.00 . A A . 9 PRO O 1 1 13 4144 1 1 10 CYS C C -4.268 -8.277 5.555 1.00 . A A . 10 CYS C 1 1 13 4145 1 1 10 CYS CA C -3.081 -7.462 6.063 1.00 . A A . 10 CYS CA 1 1 13 4146 1 1 10 CYS CB C -3.577 -6.249 6.857 1.00 . A A . 10 CYS CB 1 1 13 4147 1 1 10 CYS H H -2.062 -6.078 4.826 1.00 . A A . 10 CYS H 1 1 13 4148 1 1 10 CYS HA H -2.487 -8.086 6.715 1.00 . A A . 10 CYS HA 1 1 13 4149 1 1 10 CYS HB2 H -4.081 -6.594 7.748 1.00 . A A . 10 CYS HB2 1 1 13 4150 1 1 10 CYS HB3 H -2.729 -5.644 7.141 1.00 . A A . 10 CYS HB3 1 1 13 4151 1 1 10 CYS N N -2.229 -7.034 4.959 1.00 . A A . 10 CYS N 1 1 13 4152 1 1 10 CYS O O -4.781 -9.147 6.258 1.00 . A A . 10 CYS O 1 1 13 4153 1 1 10 CYS SG S -4.732 -5.190 5.953 1.00 . A A . 10 CYS SG 1 1 13 4154 1 1 11 GLY C C -7.146 -8.027 4.025 1.00 . A A . 11 GLY C 1 1 13 4155 1 1 11 GLY CA C -5.818 -8.705 3.750 1.00 . A A . 11 GLY CA 1 1 13 4156 1 1 11 GLY H H -4.249 -7.285 3.815 1.00 . A A . 11 GLY H 1 1 13 4157 1 1 11 GLY HA2 H -5.674 -8.772 2.682 1.00 . A A . 11 GLY HA2 1 1 13 4158 1 1 11 GLY HA3 H -5.845 -9.703 4.162 1.00 . A A . 11 GLY HA3 1 1 13 4159 1 1 11 GLY N N -4.697 -7.989 4.330 1.00 . A A . 11 GLY N 1 1 13 4160 1 1 11 GLY O O -8.178 -8.688 4.131 1.00 . A A . 11 GLY O 1 1 13 4161 1 1 12 SER C C -9.005 -5.519 3.098 1.00 . A A . 12 SER C 1 1 13 4162 1 1 12 SER CA C -8.330 -5.934 4.400 1.00 . A A . 12 SER CA 1 1 13 4163 1 1 12 SER CB C -8.002 -4.695 5.236 1.00 . A A . 12 SER CB 1 1 13 4164 1 1 12 SER H H -6.266 -6.232 4.041 1.00 . A A . 12 SER H 1 1 13 4165 1 1 12 SER HA H -9.008 -6.563 4.958 1.00 . A A . 12 SER HA 1 1 13 4166 1 1 12 SER HB2 H -7.079 -4.259 4.883 1.00 . A A . 12 SER HB2 1 1 13 4167 1 1 12 SER HB3 H -8.800 -3.974 5.136 1.00 . A A . 12 SER HB3 1 1 13 4168 1 1 12 SER HG H -8.205 -4.315 7.147 1.00 . A A . 12 SER HG 1 1 13 4169 1 1 12 SER N N -7.119 -6.702 4.138 1.00 . A A . 12 SER N 1 1 13 4170 1 1 12 SER O O -10.203 -5.729 2.913 1.00 . A A . 12 SER O 1 1 13 4171 1 1 12 SER OG O -7.855 -5.026 6.605 1.00 . A A . 12 SER OG 1 1 13 4172 1 1 13 GLY C C -8.168 -3.181 0.454 1.00 . A A . 13 GLY C 1 1 13 4173 1 1 13 GLY CA C -8.767 -4.494 0.921 1.00 . A A . 13 GLY CA 1 1 13 4174 1 1 13 GLY H H -7.279 -4.787 2.398 1.00 . A A . 13 GLY H 1 1 13 4175 1 1 13 GLY HA2 H -8.565 -5.252 0.179 1.00 . A A . 13 GLY HA2 1 1 13 4176 1 1 13 GLY HA3 H -9.836 -4.374 1.018 1.00 . A A . 13 GLY HA3 1 1 13 4177 1 1 13 GLY N N -8.227 -4.928 2.196 1.00 . A A . 13 GLY N 1 1 13 4178 1 1 13 GLY O O -8.092 -2.918 -0.746 1.00 . A A . 13 GLY O 1 1 13 4179 1 1 14 LYS C C -5.642 -1.190 0.890 1.00 . A A . 14 LYS C 1 1 13 4180 1 1 14 LYS CA C -7.148 -1.063 1.086 1.00 . A A . 14 LYS CA 1 1 13 4181 1 1 14 LYS CB C -7.444 -0.054 2.197 1.00 . A A . 14 LYS CB 1 1 13 4182 1 1 14 LYS CD C -9.211 1.474 3.118 1.00 . A A . 14 LYS CD 1 1 13 4183 1 1 14 LYS CE C -10.481 1.437 3.951 1.00 . A A . 14 LYS CE 1 1 13 4184 1 1 14 LYS CG C -8.926 0.124 2.478 1.00 . A A . 14 LYS CG 1 1 13 4185 1 1 14 LYS H H -7.831 -2.622 2.344 1.00 . A A . 14 LYS H 1 1 13 4186 1 1 14 LYS HA H -7.591 -0.712 0.166 1.00 . A A . 14 LYS HA 1 1 13 4187 1 1 14 LYS HB2 H -6.963 -0.387 3.106 1.00 . A A . 14 LYS HB2 1 1 13 4188 1 1 14 LYS HB3 H -7.035 0.904 1.915 1.00 . A A . 14 LYS HB3 1 1 13 4189 1 1 14 LYS HD2 H -8.382 1.742 3.755 1.00 . A A . 14 LYS HD2 1 1 13 4190 1 1 14 LYS HD3 H -9.323 2.214 2.338 1.00 . A A . 14 LYS HD3 1 1 13 4191 1 1 14 LYS HE2 H -11.006 2.373 3.827 1.00 . A A . 14 LYS HE2 1 1 13 4192 1 1 14 LYS HE3 H -11.105 0.627 3.600 1.00 . A A . 14 LYS HE3 1 1 13 4193 1 1 14 LYS HG2 H -9.470 0.056 1.548 1.00 . A A . 14 LYS HG2 1 1 13 4194 1 1 14 LYS HG3 H -9.252 -0.657 3.148 1.00 . A A . 14 LYS HG3 1 1 13 4195 1 1 14 LYS HZ1 H -10.140 2.151 5.884 1.00 . A A . 14 LYS HZ1 1 1 13 4196 1 1 14 LYS HZ2 H -9.282 0.741 5.514 1.00 . A A . 14 LYS HZ2 1 1 13 4197 1 1 14 LYS HZ3 H -10.941 0.661 5.836 1.00 . A A . 14 LYS HZ3 1 1 13 4198 1 1 14 LYS N N -7.743 -2.356 1.405 1.00 . A A . 14 LYS N 1 1 13 4199 1 1 14 LYS NZ N -10.190 1.233 5.397 1.00 . A A . 14 LYS NZ 1 1 13 4200 1 1 14 LYS O O -5.015 -2.115 1.404 1.00 . A A . 14 LYS O 1 1 13 4201 1 1 15 LYS C C -2.864 0.161 1.142 1.00 . A A . 15 LYS C 1 1 13 4202 1 1 15 LYS CA C -3.632 -0.254 -0.109 1.00 . A A . 15 LYS CA 1 1 13 4203 1 1 15 LYS CB C -3.295 0.687 -1.268 1.00 . A A . 15 LYS CB 1 1 13 4204 1 1 15 LYS CD C -5.065 0.865 -3.046 1.00 . A A . 15 LYS CD 1 1 13 4205 1 1 15 LYS CE C -6.275 -0.022 -2.802 1.00 . A A . 15 LYS CE 1 1 13 4206 1 1 15 LYS CG C -3.775 0.182 -2.619 1.00 . A A . 15 LYS CG 1 1 13 4207 1 1 15 LYS H H -5.618 0.466 -0.232 1.00 . A A . 15 LYS H 1 1 13 4208 1 1 15 LYS HA H -3.345 -1.259 -0.376 1.00 . A A . 15 LYS HA 1 1 13 4209 1 1 15 LYS HB2 H -3.753 1.647 -1.082 1.00 . A A . 15 LYS HB2 1 1 13 4210 1 1 15 LYS HB3 H -2.224 0.813 -1.315 1.00 . A A . 15 LYS HB3 1 1 13 4211 1 1 15 LYS HD2 H -5.181 1.778 -2.481 1.00 . A A . 15 LYS HD2 1 1 13 4212 1 1 15 LYS HD3 H -5.006 1.097 -4.099 1.00 . A A . 15 LYS HD3 1 1 13 4213 1 1 15 LYS HE2 H -5.939 -0.974 -2.418 1.00 . A A . 15 LYS HE2 1 1 13 4214 1 1 15 LYS HE3 H -6.912 0.454 -2.071 1.00 . A A . 15 LYS HE3 1 1 13 4215 1 1 15 LYS HG2 H -3.012 0.382 -3.358 1.00 . A A . 15 LYS HG2 1 1 13 4216 1 1 15 LYS HG3 H -3.946 -0.882 -2.554 1.00 . A A . 15 LYS HG3 1 1 13 4217 1 1 15 LYS HZ1 H -7.740 0.519 -4.189 1.00 . A A . 15 LYS HZ1 1 1 13 4218 1 1 15 LYS HZ2 H -7.573 -1.152 -3.986 1.00 . A A . 15 LYS HZ2 1 1 13 4219 1 1 15 LYS HZ3 H -6.418 -0.287 -4.868 1.00 . A A . 15 LYS HZ3 1 1 13 4220 1 1 15 LYS N N -5.066 -0.249 0.148 1.00 . A A . 15 LYS N 1 1 13 4221 1 1 15 LYS NZ N -7.057 -0.251 -4.048 1.00 . A A . 15 LYS NZ 1 1 13 4222 1 1 15 LYS O O -3.432 0.741 2.065 1.00 . A A . 15 LYS O 1 1 13 4223 1 1 16 TYR C C -0.932 1.649 2.743 1.00 . A A . 16 TYR C 1 1 13 4224 1 1 16 TYR CA C -0.721 0.200 2.307 1.00 . A A . 16 TYR CA 1 1 13 4225 1 1 16 TYR CB C 0.748 -0.023 1.947 1.00 . A A . 16 TYR CB 1 1 13 4226 1 1 16 TYR CD1 C 1.043 -1.691 3.821 1.00 . A A . 16 TYR CD1 1 1 13 4227 1 1 16 TYR CD2 C 2.862 -0.240 3.302 1.00 . A A . 16 TYR CD2 1 1 13 4228 1 1 16 TYR CE1 C 1.792 -2.278 4.824 1.00 . A A . 16 TYR CE1 1 1 13 4229 1 1 16 TYR CE2 C 3.617 -0.822 4.302 1.00 . A A . 16 TYR CE2 1 1 13 4230 1 1 16 TYR CG C 1.564 -0.664 3.045 1.00 . A A . 16 TYR CG 1 1 13 4231 1 1 16 TYR CZ C 3.077 -1.840 5.061 1.00 . A A . 16 TYR CZ 1 1 13 4232 1 1 16 TYR H H -1.171 -0.606 0.400 1.00 . A A . 16 TYR H 1 1 13 4233 1 1 16 TYR HA H -0.986 -0.452 3.124 1.00 . A A . 16 TYR HA 1 1 13 4234 1 1 16 TYR HB2 H 0.804 -0.663 1.080 1.00 . A A . 16 TYR HB2 1 1 13 4235 1 1 16 TYR HB3 H 1.199 0.930 1.713 1.00 . A A . 16 TYR HB3 1 1 13 4236 1 1 16 TYR HD1 H 0.037 -2.033 3.631 1.00 . A A . 16 TYR HD1 1 1 13 4237 1 1 16 TYR HD2 H 3.282 0.557 2.704 1.00 . A A . 16 TYR HD2 1 1 13 4238 1 1 16 TYR HE1 H 1.368 -3.075 5.417 1.00 . A A . 16 TYR HE1 1 1 13 4239 1 1 16 TYR HE2 H 4.624 -0.478 4.489 1.00 . A A . 16 TYR HE2 1 1 13 4240 1 1 16 TYR HH H 3.309 -2.459 6.866 1.00 . A A . 16 TYR HH 1 1 13 4241 1 1 16 TYR N N -1.569 -0.140 1.167 1.00 . A A . 16 TYR N 1 1 13 4242 1 1 16 TYR O O -1.357 1.914 3.867 1.00 . A A . 16 TYR O 1 1 13 4243 1 1 16 TYR OH O 3.826 -2.421 6.058 1.00 . A A . 16 TYR OH 1 1 13 4244 1 1 17 LYS C C -2.174 4.331 2.643 1.00 . A A . 17 LYS C 1 1 13 4245 1 1 17 LYS CA C -0.771 4.006 2.134 1.00 . A A . 17 LYS CA 1 1 13 4246 1 1 17 LYS CB C -0.469 4.831 0.881 1.00 . A A . 17 LYS CB 1 1 13 4247 1 1 17 LYS CD C -2.126 5.249 -0.966 1.00 . A A . 17 LYS CD 1 1 13 4248 1 1 17 LYS CE C -1.553 6.003 -2.155 1.00 . A A . 17 LYS CE 1 1 13 4249 1 1 17 LYS CG C -1.112 4.277 -0.381 1.00 . A A . 17 LYS CG 1 1 13 4250 1 1 17 LYS H H -0.286 2.305 0.970 1.00 . A A . 17 LYS H 1 1 13 4251 1 1 17 LYS HA H -0.057 4.263 2.901 1.00 . A A . 17 LYS HA 1 1 13 4252 1 1 17 LYS HB2 H -0.829 5.839 1.033 1.00 . A A . 17 LYS HB2 1 1 13 4253 1 1 17 LYS HB3 H 0.599 4.859 0.733 1.00 . A A . 17 LYS HB3 1 1 13 4254 1 1 17 LYS HD2 H -2.995 4.696 -1.290 1.00 . A A . 17 LYS HD2 1 1 13 4255 1 1 17 LYS HD3 H -2.412 5.959 -0.204 1.00 . A A . 17 LYS HD3 1 1 13 4256 1 1 17 LYS HE2 H -0.765 5.410 -2.596 1.00 . A A . 17 LYS HE2 1 1 13 4257 1 1 17 LYS HE3 H -2.338 6.154 -2.882 1.00 . A A . 17 LYS HE3 1 1 13 4258 1 1 17 LYS HG2 H -0.341 4.093 -1.115 1.00 . A A . 17 LYS HG2 1 1 13 4259 1 1 17 LYS HG3 H -1.612 3.350 -0.141 1.00 . A A . 17 LYS HG3 1 1 13 4260 1 1 17 LYS HZ1 H -0.551 7.259 -0.821 1.00 . A A . 17 LYS HZ1 1 1 13 4261 1 1 17 LYS HZ2 H -1.756 8.035 -1.718 1.00 . A A . 17 LYS HZ2 1 1 13 4262 1 1 17 LYS HZ3 H -0.285 7.637 -2.449 1.00 . A A . 17 LYS HZ3 1 1 13 4263 1 1 17 LYS N N -0.625 2.582 1.847 1.00 . A A . 17 LYS N 1 1 13 4264 1 1 17 LYS NZ N -0.997 7.326 -1.758 1.00 . A A . 17 LYS NZ 1 1 13 4265 1 1 17 LYS O O -2.373 5.319 3.349 1.00 . A A . 17 LYS O 1 1 13 4266 1 1 18 GLN C C -4.817 2.982 4.008 1.00 . A A . 18 GLN C 1 1 13 4267 1 1 18 GLN CA C -4.526 3.704 2.698 1.00 . A A . 18 GLN CA 1 1 13 4268 1 1 18 GLN CB C -5.486 3.200 1.622 1.00 . A A . 18 GLN CB 1 1 13 4269 1 1 18 GLN CD C -6.003 4.781 -0.279 1.00 . A A . 18 GLN CD 1 1 13 4270 1 1 18 GLN CG C -5.122 3.650 0.216 1.00 . A A . 18 GLN CG 1 1 13 4271 1 1 18 GLN H H -2.926 2.729 1.713 1.00 . A A . 18 GLN H 1 1 13 4272 1 1 18 GLN HA H -4.679 4.763 2.839 1.00 . A A . 18 GLN HA 1 1 13 4273 1 1 18 GLN HB2 H -5.492 2.118 1.642 1.00 . A A . 18 GLN HB2 1 1 13 4274 1 1 18 GLN HB3 H -6.480 3.558 1.847 1.00 . A A . 18 GLN HB3 1 1 13 4275 1 1 18 GLN HE21 H -7.141 3.491 -1.276 1.00 . A A . 18 GLN HE21 1 1 13 4276 1 1 18 GLN HE22 H -7.603 5.151 -1.399 1.00 . A A . 18 GLN HE22 1 1 13 4277 1 1 18 GLN HG2 H -4.096 3.986 0.213 1.00 . A A . 18 GLN HG2 1 1 13 4278 1 1 18 GLN HG3 H -5.228 2.811 -0.456 1.00 . A A . 18 GLN HG3 1 1 13 4279 1 1 18 GLN N N -3.144 3.498 2.279 1.00 . A A . 18 GLN N 1 1 13 4280 1 1 18 GLN NE2 N -7.018 4.440 -1.064 1.00 . A A . 18 GLN NE2 1 1 13 4281 1 1 18 GLN O O -5.687 3.393 4.776 1.00 . A A . 18 GLN O 1 1 13 4282 1 1 18 GLN OE1 O -5.773 5.947 0.039 1.00 . A A . 18 GLN OE1 1 1 13 4283 1 1 19 CYS C C -3.081 1.198 6.388 1.00 . A A . 19 CYS C 1 1 13 4284 1 1 19 CYS CA C -4.295 1.096 5.450 1.00 . A A . 19 CYS CA 1 1 13 4285 1 1 19 CYS CB C -4.586 -0.354 5.051 1.00 . A A . 19 CYS CB 1 1 13 4286 1 1 19 CYS H H -3.431 1.605 3.588 1.00 . A A . 19 CYS H 1 1 13 4287 1 1 19 CYS HA H -5.157 1.493 5.966 1.00 . A A . 19 CYS HA 1 1 13 4288 1 1 19 CYS HB2 H -5.280 -0.351 4.222 1.00 . A A . 19 CYS HB2 1 1 13 4289 1 1 19 CYS HB3 H -3.668 -0.828 4.740 1.00 . A A . 19 CYS HB3 1 1 13 4290 1 1 19 CYS N N -4.099 1.891 4.247 1.00 . A A . 19 CYS N 1 1 13 4291 1 1 19 CYS O O -2.742 2.290 6.843 1.00 . A A . 19 CYS O 1 1 13 4292 1 1 19 CYS SG S -5.312 -1.356 6.370 1.00 . A A . 19 CYS SG 1 1 13 4293 1 1 20 HIS C C -0.169 0.974 7.052 1.00 . A A . 20 HIS C 1 1 13 4294 1 1 20 HIS CA C -1.277 0.064 7.576 1.00 . A A . 20 HIS CA 1 1 13 4295 1 1 20 HIS CB C -0.742 -1.360 7.745 1.00 . A A . 20 HIS CB 1 1 13 4296 1 1 20 HIS CD2 C -1.486 -2.333 10.015 1.00 . A A . 20 HIS CD2 1 1 13 4297 1 1 20 HIS CE1 C -3.088 -3.602 9.259 1.00 . A A . 20 HIS CE1 1 1 13 4298 1 1 20 HIS CG C -1.565 -2.203 8.669 1.00 . A A . 20 HIS CG 1 1 13 4299 1 1 20 HIS H H -2.741 -0.779 6.308 1.00 . A A . 20 HIS H 1 1 13 4300 1 1 20 HIS HA H -1.599 0.431 8.539 1.00 . A A . 20 HIS HA 1 1 13 4301 1 1 20 HIS HB2 H -0.723 -1.845 6.781 1.00 . A A . 20 HIS HB2 1 1 13 4302 1 1 20 HIS HB3 H 0.262 -1.315 8.140 1.00 . A A . 20 HIS HB3 1 1 13 4303 1 1 20 HIS HD2 H -0.793 -1.832 10.675 1.00 . A A . 20 HIS HD2 1 1 13 4304 1 1 20 HIS HE1 H -3.907 -4.304 9.226 1.00 . A A . 20 HIS HE1 1 1 13 4305 1 1 20 HIS HE2 H -2.537 -3.661 11.260 1.00 . A A . 20 HIS HE2 1 1 13 4306 1 1 20 HIS N N -2.433 0.068 6.687 1.00 . A A . 20 HIS N 1 1 13 4307 1 1 20 HIS ND1 N -2.575 -3.005 8.198 1.00 . A A . 20 HIS ND1 1 1 13 4308 1 1 20 HIS NE2 N -2.460 -3.226 10.385 1.00 . A A . 20 HIS NE2 1 1 13 4309 1 1 20 HIS O O 0.424 1.743 7.808 1.00 . A A . 20 HIS O 1 1 13 4310 1 1 21 GLY C C 0.988 3.174 5.466 1.00 . A A . 21 GLY C 1 1 13 4311 1 1 21 GLY CA C 1.151 1.697 5.157 1.00 . A A . 21 GLY CA 1 1 13 4312 1 1 21 GLY H H -0.393 0.246 5.201 1.00 . A A . 21 GLY H 1 1 13 4313 1 1 21 GLY HA2 H 2.109 1.367 5.531 1.00 . A A . 21 GLY HA2 1 1 13 4314 1 1 21 GLY HA3 H 1.130 1.560 4.086 1.00 . A A . 21 GLY HA3 1 1 13 4315 1 1 21 GLY N N 0.110 0.879 5.756 1.00 . A A . 21 GLY N 1 1 13 4316 1 1 21 GLY O O 1.961 3.927 5.450 1.00 . A A . 21 GLY O 1 1 13 4317 1 1 22 ARG C C 0.119 5.385 7.384 1.00 . A A . 22 ARG C 1 1 13 4318 1 1 22 ARG CA C -0.523 4.985 6.061 1.00 . A A . 22 ARG CA 1 1 13 4319 1 1 22 ARG CB C -2.033 5.223 6.122 1.00 . A A . 22 ARG CB 1 1 13 4320 1 1 22 ARG CD C -2.843 7.451 6.963 1.00 . A A . 22 ARG CD 1 1 13 4321 1 1 22 ARG CG C -2.441 6.638 5.742 1.00 . A A . 22 ARG CG 1 1 13 4322 1 1 22 ARG CZ C -3.419 9.613 5.929 1.00 . A A . 22 ARG CZ 1 1 13 4323 1 1 22 ARG H H -0.978 2.942 5.745 1.00 . A A . 22 ARG H 1 1 13 4324 1 1 22 ARG HA H -0.104 5.592 5.272 1.00 . A A . 22 ARG HA 1 1 13 4325 1 1 22 ARG HB2 H -2.522 4.537 5.445 1.00 . A A . 22 ARG HB2 1 1 13 4326 1 1 22 ARG HB3 H -2.376 5.029 7.126 1.00 . A A . 22 ARG HB3 1 1 13 4327 1 1 22 ARG HD2 H -3.882 7.258 7.182 1.00 . A A . 22 ARG HD2 1 1 13 4328 1 1 22 ARG HD3 H -2.235 7.143 7.801 1.00 . A A . 22 ARG HD3 1 1 13 4329 1 1 22 ARG HE H -1.941 9.329 7.241 1.00 . A A . 22 ARG HE 1 1 13 4330 1 1 22 ARG HG2 H -1.607 7.124 5.257 1.00 . A A . 22 ARG HG2 1 1 13 4331 1 1 22 ARG HG3 H -3.278 6.590 5.061 1.00 . A A . 22 ARG HG3 1 1 13 4332 1 1 22 ARG HH11 H -4.586 8.067 5.344 1.00 . A A . 22 ARG HH11 1 1 13 4333 1 1 22 ARG HH12 H -4.970 9.598 4.632 1.00 . A A . 22 ARG HH12 1 1 13 4334 1 1 22 ARG HH21 H -2.446 11.344 6.306 1.00 . A A . 22 ARG HH21 1 1 13 4335 1 1 22 ARG HH22 H -3.756 11.458 5.177 1.00 . A A . 22 ARG HH22 1 1 13 4336 1 1 22 ARG N N -0.243 3.589 5.747 1.00 . A A . 22 ARG N 1 1 13 4337 1 1 22 ARG NE N -2.663 8.885 6.748 1.00 . A A . 22 ARG NE 1 1 13 4338 1 1 22 ARG NH1 N -4.406 9.046 5.246 1.00 . A A . 22 ARG NH1 1 1 13 4339 1 1 22 ARG NH2 N -3.188 10.911 5.793 1.00 . A A . 22 ARG NH2 1 1 13 4340 1 1 22 ARG O O -0.459 5.063 8.444 1.00 . A A . 22 ARG O 1 1 13 4341 1 1 22 ARG OXT O 1.197 6.017 7.351 1.00 . A A . 22 ARG OXT 1 1 13 4342 2 2 1 ZN ZN ZN -3.755 -3.121 6.524 1.00 . B A . 23 ZN ZN 1 1 14 4343 1 1 1 LYS C C 8.913 -2.617 0.858 1.00 . A A . 1 LYS C 1 1 14 4344 1 1 1 LYS CA C 9.954 -1.999 1.786 1.00 . A A . 1 LYS CA 1 1 14 4345 1 1 1 LYS CB C 11.336 -2.041 1.132 1.00 . A A . 1 LYS CB 1 1 14 4346 1 1 1 LYS CD C 12.987 -0.146 0.991 1.00 . A A . 1 LYS CD 1 1 14 4347 1 1 1 LYS CE C 14.486 -0.019 1.206 1.00 . A A . 1 LYS CE 1 1 14 4348 1 1 1 LYS CG C 12.386 -1.227 1.875 1.00 . A A . 1 LYS CG 1 1 14 4349 1 1 1 LYS H1 H 10.514 -3.627 2.913 1.00 . A A . 1 LYS H1 1 1 14 4350 1 1 1 LYS H2 H 9.043 -2.888 3.403 1.00 . A A . 1 LYS H2 1 1 14 4351 1 1 1 LYS H3 H 10.544 -2.132 3.752 1.00 . A A . 1 LYS H3 1 1 14 4352 1 1 1 LYS HA H 9.684 -0.971 1.983 1.00 . A A . 1 LYS HA 1 1 14 4353 1 1 1 LYS HB2 H 11.671 -3.067 1.090 1.00 . A A . 1 LYS HB2 1 1 14 4354 1 1 1 LYS HB3 H 11.257 -1.655 0.126 1.00 . A A . 1 LYS HB3 1 1 14 4355 1 1 1 LYS HD2 H 12.800 -0.395 -0.042 1.00 . A A . 1 LYS HD2 1 1 14 4356 1 1 1 LYS HD3 H 12.517 0.799 1.226 1.00 . A A . 1 LYS HD3 1 1 14 4357 1 1 1 LYS HE2 H 14.743 -0.477 2.150 1.00 . A A . 1 LYS HE2 1 1 14 4358 1 1 1 LYS HE3 H 14.995 -0.537 0.405 1.00 . A A . 1 LYS HE3 1 1 14 4359 1 1 1 LYS HG2 H 11.924 -0.762 2.733 1.00 . A A . 1 LYS HG2 1 1 14 4360 1 1 1 LYS HG3 H 13.173 -1.891 2.204 1.00 . A A . 1 LYS HG3 1 1 14 4361 1 1 1 LYS HZ1 H 14.454 1.932 0.461 1.00 . A A . 1 LYS HZ1 1 1 14 4362 1 1 1 LYS HZ2 H 15.955 1.460 1.079 1.00 . A A . 1 LYS HZ2 1 1 14 4363 1 1 1 LYS HZ3 H 14.691 1.840 2.135 1.00 . A A . 1 LYS HZ3 1 1 14 4364 1 1 1 LYS N N 10.019 -2.727 3.080 1.00 . A A . 1 LYS N 1 1 14 4365 1 1 1 LYS NZ N 14.927 1.403 1.221 1.00 . A A . 1 LYS NZ 1 1 14 4366 1 1 1 LYS O O 9.221 -3.521 0.080 1.00 . A A . 1 LYS O 1 1 14 4367 1 1 2 VAL C C 6.043 -1.536 -0.794 1.00 . A A . 2 VAL C 1 1 14 4368 1 1 2 VAL CA C 6.597 -2.628 0.112 1.00 . A A . 2 VAL CA 1 1 14 4369 1 1 2 VAL CB C 5.439 -3.187 0.966 1.00 . A A . 2 VAL CB 1 1 14 4370 1 1 2 VAL CG1 C 4.789 -2.078 1.784 1.00 . A A . 2 VAL CG1 1 1 14 4371 1 1 2 VAL CG2 C 4.406 -3.875 0.085 1.00 . A A . 2 VAL CG2 1 1 14 4372 1 1 2 VAL H H 7.500 -1.404 1.584 1.00 . A A . 2 VAL H 1 1 14 4373 1 1 2 VAL HA H 6.986 -3.429 -0.500 1.00 . A A . 2 VAL HA 1 1 14 4374 1 1 2 VAL HB H 5.843 -3.919 1.650 1.00 . A A . 2 VAL HB 1 1 14 4375 1 1 2 VAL HG11 H 3.894 -2.457 2.256 1.00 . A A . 2 VAL HG11 1 1 14 4376 1 1 2 VAL HG12 H 4.531 -1.253 1.133 1.00 . A A . 2 VAL HG12 1 1 14 4377 1 1 2 VAL HG13 H 5.479 -1.737 2.541 1.00 . A A . 2 VAL HG13 1 1 14 4378 1 1 2 VAL HG21 H 3.867 -4.607 0.667 1.00 . A A . 2 VAL HG21 1 1 14 4379 1 1 2 VAL HG22 H 4.905 -4.366 -0.738 1.00 . A A . 2 VAL HG22 1 1 14 4380 1 1 2 VAL HG23 H 3.714 -3.140 -0.301 1.00 . A A . 2 VAL HG23 1 1 14 4381 1 1 2 VAL N N 7.682 -2.124 0.944 1.00 . A A . 2 VAL N 1 1 14 4382 1 1 2 VAL O O 6.190 -0.347 -0.510 1.00 . A A . 2 VAL O 1 1 14 4383 1 1 3 GLY C C 3.475 -0.476 -2.257 1.00 . A A . 3 GLY C 1 1 14 4384 1 1 3 GLY CA C 4.798 -0.992 -2.781 1.00 . A A . 3 GLY CA 1 1 14 4385 1 1 3 GLY H H 5.286 -2.908 -2.035 1.00 . A A . 3 GLY H 1 1 14 4386 1 1 3 GLY HA2 H 5.477 -0.161 -2.908 1.00 . A A . 3 GLY HA2 1 1 14 4387 1 1 3 GLY HA3 H 4.637 -1.467 -3.737 1.00 . A A . 3 GLY HA3 1 1 14 4388 1 1 3 GLY N N 5.386 -1.948 -1.869 1.00 . A A . 3 GLY N 1 1 14 4389 1 1 3 GLY O O 2.421 -1.000 -2.608 1.00 . A A . 3 GLY O 1 1 14 4390 1 1 4 ARG C C 1.153 1.187 -1.740 1.00 . A A . 4 ARG C 1 1 14 4391 1 1 4 ARG CA C 2.345 1.131 -0.781 1.00 . A A . 4 ARG CA 1 1 14 4392 1 1 4 ARG CB C 2.636 2.537 -0.241 1.00 . A A . 4 ARG CB 1 1 14 4393 1 1 4 ARG CD C 4.520 4.159 0.045 1.00 . A A . 4 ARG CD 1 1 14 4394 1 1 4 ARG CG C 3.785 3.259 -0.928 1.00 . A A . 4 ARG CG 1 1 14 4395 1 1 4 ARG CZ C 6.857 4.810 0.476 1.00 . A A . 4 ARG CZ 1 1 14 4396 1 1 4 ARG H H 4.419 0.884 -1.143 1.00 . A A . 4 ARG H 1 1 14 4397 1 1 4 ARG HA H 2.077 0.505 0.051 1.00 . A A . 4 ARG HA 1 1 14 4398 1 1 4 ARG HB2 H 1.749 3.142 -0.354 1.00 . A A . 4 ARG HB2 1 1 14 4399 1 1 4 ARG HB3 H 2.871 2.459 0.810 1.00 . A A . 4 ARG HB3 1 1 14 4400 1 1 4 ARG HD2 H 4.009 5.109 0.093 1.00 . A A . 4 ARG HD2 1 1 14 4401 1 1 4 ARG HD3 H 4.505 3.693 1.020 1.00 . A A . 4 ARG HD3 1 1 14 4402 1 1 4 ARG HE H 6.143 4.209 -1.288 1.00 . A A . 4 ARG HE 1 1 14 4403 1 1 4 ARG HG2 H 4.477 2.532 -1.320 1.00 . A A . 4 ARG HG2 1 1 14 4404 1 1 4 ARG HG3 H 3.390 3.858 -1.735 1.00 . A A . 4 ARG HG3 1 1 14 4405 1 1 4 ARG HH11 H 5.645 4.928 2.091 1.00 . A A . 4 ARG HH11 1 1 14 4406 1 1 4 ARG HH12 H 7.294 5.379 2.366 1.00 . A A . 4 ARG HH12 1 1 14 4407 1 1 4 ARG HH21 H 8.313 4.802 -0.927 1.00 . A A . 4 ARG HH21 1 1 14 4408 1 1 4 ARG HH22 H 8.808 5.309 0.654 1.00 . A A . 4 ARG HH22 1 1 14 4409 1 1 4 ARG N N 3.539 0.537 -1.393 1.00 . A A . 4 ARG N 1 1 14 4410 1 1 4 ARG NE N 5.908 4.384 -0.354 1.00 . A A . 4 ARG NE 1 1 14 4411 1 1 4 ARG NH1 N 6.575 5.060 1.749 1.00 . A A . 4 ARG NH1 1 1 14 4412 1 1 4 ARG NH2 N 8.095 4.988 0.031 1.00 . A A . 4 ARG NH2 1 1 14 4413 1 1 4 ARG O O 0.002 1.117 -1.310 1.00 . A A . 4 ARG O 1 1 14 4414 1 1 5 ASN C C -0.310 0.026 -4.248 1.00 . A A . 5 ASN C 1 1 14 4415 1 1 5 ASN CA C 0.367 1.385 -4.038 1.00 . A A . 5 ASN CA 1 1 14 4416 1 1 5 ASN CB C 0.933 1.891 -5.366 1.00 . A A . 5 ASN CB 1 1 14 4417 1 1 5 ASN CG C -0.131 2.520 -6.245 1.00 . A A . 5 ASN CG 1 1 14 4418 1 1 5 ASN H H 2.362 1.374 -3.323 1.00 . A A . 5 ASN H 1 1 14 4419 1 1 5 ASN HA H -0.372 2.088 -3.686 1.00 . A A . 5 ASN HA 1 1 14 4420 1 1 5 ASN HB2 H 1.693 2.631 -5.169 1.00 . A A . 5 ASN HB2 1 1 14 4421 1 1 5 ASN HB3 H 1.374 1.063 -5.902 1.00 . A A . 5 ASN HB3 1 1 14 4422 1 1 5 ASN HD21 H 0.413 1.367 -7.771 1.00 . A A . 5 ASN HD21 1 1 14 4423 1 1 5 ASN HD22 H -0.889 2.458 -8.082 1.00 . A A . 5 ASN HD22 1 1 14 4424 1 1 5 ASN N N 1.428 1.318 -3.034 1.00 . A A . 5 ASN N 1 1 14 4425 1 1 5 ASN ND2 N -0.211 2.070 -7.492 1.00 . A A . 5 ASN ND2 1 1 14 4426 1 1 5 ASN O O -1.215 -0.099 -5.074 1.00 . A A . 5 ASN O 1 1 14 4427 1 1 5 ASN OD1 O -0.873 3.399 -5.809 1.00 . A A . 5 ASN OD1 1 1 14 4428 1 1 6 ASP C C -1.295 -2.663 -2.408 1.00 . A A . 6 ASP C 1 1 14 4429 1 1 6 ASP CA C -0.432 -2.330 -3.625 1.00 . A A . 6 ASP CA 1 1 14 4430 1 1 6 ASP CB C 0.697 -3.357 -3.767 1.00 . A A . 6 ASP CB 1 1 14 4431 1 1 6 ASP CG C 0.202 -4.791 -3.727 1.00 . A A . 6 ASP CG 1 1 14 4432 1 1 6 ASP H H 0.853 -0.839 -2.869 1.00 . A A . 6 ASP H 1 1 14 4433 1 1 6 ASP HA H -1.048 -2.357 -4.511 1.00 . A A . 6 ASP HA 1 1 14 4434 1 1 6 ASP HB2 H 1.199 -3.200 -4.710 1.00 . A A . 6 ASP HB2 1 1 14 4435 1 1 6 ASP HB3 H 1.404 -3.218 -2.963 1.00 . A A . 6 ASP HB3 1 1 14 4436 1 1 6 ASP N N 0.131 -0.990 -3.508 1.00 . A A . 6 ASP N 1 1 14 4437 1 1 6 ASP O O -0.992 -2.246 -1.290 1.00 . A A . 6 ASP O 1 1 14 4438 1 1 6 ASP OD1 O -0.037 -5.305 -2.614 1.00 . A A . 6 ASP OD1 1 1 14 4439 1 1 6 ASP OD2 O 0.054 -5.399 -4.808 1.00 . A A . 6 ASP OD2 1 1 14 4440 1 1 7 PRO C C -2.546 -4.325 -0.298 1.00 . A A . 7 PRO C 1 1 14 4441 1 1 7 PRO CA C -3.290 -3.819 -1.531 1.00 . A A . 7 PRO CA 1 1 14 4442 1 1 7 PRO CB C -4.137 -4.947 -2.150 1.00 . A A . 7 PRO CB 1 1 14 4443 1 1 7 PRO CD C -2.824 -3.968 -3.900 1.00 . A A . 7 PRO CD 1 1 14 4444 1 1 7 PRO CG C -3.531 -5.226 -3.490 1.00 . A A . 7 PRO CG 1 1 14 4445 1 1 7 PRO HA H -3.936 -3.002 -1.244 1.00 . A A . 7 PRO HA 1 1 14 4446 1 1 7 PRO HB2 H -4.098 -5.817 -1.514 1.00 . A A . 7 PRO HB2 1 1 14 4447 1 1 7 PRO HB3 H -5.161 -4.616 -2.246 1.00 . A A . 7 PRO HB3 1 1 14 4448 1 1 7 PRO HD2 H -1.982 -4.193 -4.538 1.00 . A A . 7 PRO HD2 1 1 14 4449 1 1 7 PRO HD3 H -3.506 -3.291 -4.391 1.00 . A A . 7 PRO HD3 1 1 14 4450 1 1 7 PRO HG2 H -2.827 -6.041 -3.411 1.00 . A A . 7 PRO HG2 1 1 14 4451 1 1 7 PRO HG3 H -4.308 -5.468 -4.201 1.00 . A A . 7 PRO HG3 1 1 14 4452 1 1 7 PRO N N -2.384 -3.425 -2.611 1.00 . A A . 7 PRO N 1 1 14 4453 1 1 7 PRO O O -1.762 -5.271 -0.379 1.00 . A A . 7 PRO O 1 1 14 4454 1 1 8 CYS C C -2.060 -5.564 2.270 1.00 . A A . 8 CYS C 1 1 14 4455 1 1 8 CYS CA C -2.166 -4.046 2.108 1.00 . A A . 8 CYS CA 1 1 14 4456 1 1 8 CYS CB C -2.966 -3.457 3.272 1.00 . A A . 8 CYS CB 1 1 14 4457 1 1 8 CYS H H -3.432 -2.936 0.828 1.00 . A A . 8 CYS H 1 1 14 4458 1 1 8 CYS HA H -1.174 -3.621 2.114 1.00 . A A . 8 CYS HA 1 1 14 4459 1 1 8 CYS HB2 H -3.429 -2.537 2.951 1.00 . A A . 8 CYS HB2 1 1 14 4460 1 1 8 CYS HB3 H -3.734 -4.158 3.562 1.00 . A A . 8 CYS HB3 1 1 14 4461 1 1 8 CYS N N -2.800 -3.681 0.840 1.00 . A A . 8 CYS N 1 1 14 4462 1 1 8 CYS O O -3.013 -6.292 1.992 1.00 . A A . 8 CYS O 1 1 14 4463 1 1 8 CYS SG S -1.979 -3.084 4.739 1.00 . A A . 8 CYS SG 1 1 14 4464 1 1 9 PRO C C -1.599 -8.100 3.972 1.00 . A A . 9 PRO C 1 1 14 4465 1 1 9 PRO CA C -0.673 -7.501 2.916 1.00 . A A . 9 PRO CA 1 1 14 4466 1 1 9 PRO CB C 0.787 -7.587 3.377 1.00 . A A . 9 PRO CB 1 1 14 4467 1 1 9 PRO CD C 0.297 -5.272 3.077 1.00 . A A . 9 PRO CD 1 1 14 4468 1 1 9 PRO CG C 1.106 -6.230 3.901 1.00 . A A . 9 PRO CG 1 1 14 4469 1 1 9 PRO HA H -0.791 -8.045 1.990 1.00 . A A . 9 PRO HA 1 1 14 4470 1 1 9 PRO HB2 H 0.880 -8.339 4.147 1.00 . A A . 9 PRO HB2 1 1 14 4471 1 1 9 PRO HB3 H 1.417 -7.842 2.539 1.00 . A A . 9 PRO HB3 1 1 14 4472 1 1 9 PRO HD2 H 0.027 -4.405 3.660 1.00 . A A . 9 PRO HD2 1 1 14 4473 1 1 9 PRO HD3 H 0.843 -4.979 2.192 1.00 . A A . 9 PRO HD3 1 1 14 4474 1 1 9 PRO HG2 H 0.824 -6.161 4.942 1.00 . A A . 9 PRO HG2 1 1 14 4475 1 1 9 PRO HG3 H 2.161 -6.028 3.783 1.00 . A A . 9 PRO HG3 1 1 14 4476 1 1 9 PRO N N -0.895 -6.063 2.722 1.00 . A A . 9 PRO N 1 1 14 4477 1 1 9 PRO O O -1.853 -9.304 3.974 1.00 . A A . 9 PRO O 1 1 14 4478 1 1 10 CYS C C -4.244 -8.367 5.344 1.00 . A A . 10 CYS C 1 1 14 4479 1 1 10 CYS CA C -2.995 -7.712 5.928 1.00 . A A . 10 CYS CA 1 1 14 4480 1 1 10 CYS CB C -3.388 -6.544 6.837 1.00 . A A . 10 CYS CB 1 1 14 4481 1 1 10 CYS H H -1.862 -6.306 4.820 1.00 . A A . 10 CYS H 1 1 14 4482 1 1 10 CYS HA H -2.462 -8.447 6.513 1.00 . A A . 10 CYS HA 1 1 14 4483 1 1 10 CYS HB2 H -3.911 -6.930 7.699 1.00 . A A . 10 CYS HB2 1 1 14 4484 1 1 10 CYS HB3 H -2.492 -6.038 7.166 1.00 . A A . 10 CYS HB3 1 1 14 4485 1 1 10 CYS N N -2.100 -7.255 4.869 1.00 . A A . 10 CYS N 1 1 14 4486 1 1 10 CYS O O -4.814 -9.281 5.939 1.00 . A A . 10 CYS O 1 1 14 4487 1 1 10 CYS SG S -4.458 -5.315 6.053 1.00 . A A . 10 CYS SG 1 1 14 4488 1 1 11 GLY C C -7.118 -7.754 3.960 1.00 . A A . 11 GLY C 1 1 14 4489 1 1 11 GLY CA C -5.840 -8.447 3.530 1.00 . A A . 11 GLY CA 1 1 14 4490 1 1 11 GLY H H -4.168 -7.165 3.745 1.00 . A A . 11 GLY H 1 1 14 4491 1 1 11 GLY HA2 H -5.732 -8.345 2.460 1.00 . A A . 11 GLY HA2 1 1 14 4492 1 1 11 GLY HA3 H -5.912 -9.495 3.775 1.00 . A A . 11 GLY HA3 1 1 14 4493 1 1 11 GLY N N -4.663 -7.894 4.174 1.00 . A A . 11 GLY N 1 1 14 4494 1 1 11 GLY O O -8.160 -8.395 4.105 1.00 . A A . 11 GLY O 1 1 14 4495 1 1 12 SER C C -8.966 -5.139 3.371 1.00 . A A . 12 SER C 1 1 14 4496 1 1 12 SER CA C -8.200 -5.664 4.580 1.00 . A A . 12 SER CA 1 1 14 4497 1 1 12 SER CB C -7.765 -4.498 5.470 1.00 . A A . 12 SER CB 1 1 14 4498 1 1 12 SER H H -6.182 -5.989 4.032 1.00 . A A . 12 SER H 1 1 14 4499 1 1 12 SER HA H -8.849 -6.315 5.147 1.00 . A A . 12 SER HA 1 1 14 4500 1 1 12 SER HB2 H -6.766 -4.191 5.195 1.00 . A A . 12 SER HB2 1 1 14 4501 1 1 12 SER HB3 H -8.445 -3.670 5.333 1.00 . A A . 12 SER HB3 1 1 14 4502 1 1 12 SER HG H -8.597 -5.300 7.051 1.00 . A A . 12 SER HG 1 1 14 4503 1 1 12 SER N N -7.040 -6.443 4.165 1.00 . A A . 12 SER N 1 1 14 4504 1 1 12 SER O O -10.185 -4.980 3.416 1.00 . A A . 12 SER O 1 1 14 4505 1 1 12 SER OG O -7.766 -4.870 6.837 1.00 . A A . 12 SER OG 1 1 14 4506 1 1 13 GLY C C -8.204 -3.097 0.575 1.00 . A A . 13 GLY C 1 1 14 4507 1 1 13 GLY CA C -8.866 -4.364 1.081 1.00 . A A . 13 GLY CA 1 1 14 4508 1 1 13 GLY H H -7.271 -5.016 2.313 1.00 . A A . 13 GLY H 1 1 14 4509 1 1 13 GLY HA2 H -8.805 -5.121 0.313 1.00 . A A . 13 GLY HA2 1 1 14 4510 1 1 13 GLY HA3 H -9.906 -4.156 1.287 1.00 . A A . 13 GLY HA3 1 1 14 4511 1 1 13 GLY N N -8.240 -4.870 2.289 1.00 . A A . 13 GLY N 1 1 14 4512 1 1 13 GLY O O -8.036 -2.916 -0.630 1.00 . A A . 13 GLY O 1 1 14 4513 1 1 14 LYS C C -5.676 -1.155 0.986 1.00 . A A . 14 LYS C 1 1 14 4514 1 1 14 LYS CA C -7.180 -0.963 1.144 1.00 . A A . 14 LYS CA 1 1 14 4515 1 1 14 LYS CB C -7.459 0.097 2.213 1.00 . A A . 14 LYS CB 1 1 14 4516 1 1 14 LYS CD C -9.386 1.526 2.966 1.00 . A A . 14 LYS CD 1 1 14 4517 1 1 14 LYS CE C -10.709 0.778 2.956 1.00 . A A . 14 LYS CE 1 1 14 4518 1 1 14 LYS CG C -8.504 1.120 1.796 1.00 . A A . 14 LYS CG 1 1 14 4519 1 1 14 LYS H H -7.990 -2.423 2.444 1.00 . A A . 14 LYS H 1 1 14 4520 1 1 14 LYS HA H -7.592 -0.631 0.203 1.00 . A A . 14 LYS HA 1 1 14 4521 1 1 14 LYS HB2 H -7.807 -0.396 3.109 1.00 . A A . 14 LYS HB2 1 1 14 4522 1 1 14 LYS HB3 H -6.540 0.621 2.435 1.00 . A A . 14 LYS HB3 1 1 14 4523 1 1 14 LYS HD2 H -8.867 1.307 3.888 1.00 . A A . 14 LYS HD2 1 1 14 4524 1 1 14 LYS HD3 H -9.581 2.587 2.906 1.00 . A A . 14 LYS HD3 1 1 14 4525 1 1 14 LYS HE2 H -10.804 0.251 2.017 1.00 . A A . 14 LYS HE2 1 1 14 4526 1 1 14 LYS HE3 H -10.712 0.067 3.768 1.00 . A A . 14 LYS HE3 1 1 14 4527 1 1 14 LYS HG2 H -8.002 1.998 1.416 1.00 . A A . 14 LYS HG2 1 1 14 4528 1 1 14 LYS HG3 H -9.123 0.693 1.021 1.00 . A A . 14 LYS HG3 1 1 14 4529 1 1 14 LYS HZ1 H -12.179 2.044 2.181 1.00 . A A . 14 LYS HZ1 1 1 14 4530 1 1 14 LYS HZ2 H -11.602 2.513 3.701 1.00 . A A . 14 LYS HZ2 1 1 14 4531 1 1 14 LYS HZ3 H -12.661 1.200 3.567 1.00 . A A . 14 LYS HZ3 1 1 14 4532 1 1 14 LYS N N -7.829 -2.220 1.500 1.00 . A A . 14 LYS N 1 1 14 4533 1 1 14 LYS NZ N -11.869 1.699 3.113 1.00 . A A . 14 LYS NZ 1 1 14 4534 1 1 14 LYS O O -5.092 -2.060 1.579 1.00 . A A . 14 LYS O 1 1 14 4535 1 1 15 LYS C C -2.857 0.071 1.209 1.00 . A A . 15 LYS C 1 1 14 4536 1 1 15 LYS CA C -3.615 -0.373 -0.038 1.00 . A A . 15 LYS CA 1 1 14 4537 1 1 15 LYS CB C -3.207 0.482 -1.241 1.00 . A A . 15 LYS CB 1 1 14 4538 1 1 15 LYS CD C -4.603 2.173 -2.473 1.00 . A A . 15 LYS CD 1 1 14 4539 1 1 15 LYS CE C -6.037 1.688 -2.332 1.00 . A A . 15 LYS CE 1 1 14 4540 1 1 15 LYS CG C -3.789 1.884 -1.220 1.00 . A A . 15 LYS CG 1 1 14 4541 1 1 15 LYS H H -5.570 0.408 -0.258 1.00 . A A . 15 LYS H 1 1 14 4542 1 1 15 LYS HA H -3.369 -1.402 -0.243 1.00 . A A . 15 LYS HA 1 1 14 4543 1 1 15 LYS HB2 H -2.131 0.564 -1.260 1.00 . A A . 15 LYS HB2 1 1 14 4544 1 1 15 LYS HB3 H -3.538 -0.010 -2.144 1.00 . A A . 15 LYS HB3 1 1 14 4545 1 1 15 LYS HD2 H -4.611 3.238 -2.647 1.00 . A A . 15 LYS HD2 1 1 14 4546 1 1 15 LYS HD3 H -4.143 1.671 -3.312 1.00 . A A . 15 LYS HD3 1 1 14 4547 1 1 15 LYS HE2 H -6.046 0.609 -2.390 1.00 . A A . 15 LYS HE2 1 1 14 4548 1 1 15 LYS HE3 H -6.415 1.997 -1.369 1.00 . A A . 15 LYS HE3 1 1 14 4549 1 1 15 LYS HG2 H -4.429 1.983 -0.357 1.00 . A A . 15 LYS HG2 1 1 14 4550 1 1 15 LYS HG3 H -2.981 2.597 -1.156 1.00 . A A . 15 LYS HG3 1 1 14 4551 1 1 15 LYS HZ1 H -7.888 1.883 -3.278 1.00 . A A . 15 LYS HZ1 1 1 14 4552 1 1 15 LYS HZ2 H -6.569 1.947 -4.334 1.00 . A A . 15 LYS HZ2 1 1 14 4553 1 1 15 LYS HZ3 H -6.930 3.275 -3.352 1.00 . A A . 15 LYS HZ3 1 1 14 4554 1 1 15 LYS N N -5.053 -0.295 0.186 1.00 . A A . 15 LYS N 1 1 14 4555 1 1 15 LYS NZ N -6.917 2.237 -3.398 1.00 . A A . 15 LYS NZ 1 1 14 4556 1 1 15 LYS O O -3.446 0.612 2.146 1.00 . A A . 15 LYS O 1 1 14 4557 1 1 16 TYR C C -0.987 1.613 2.851 1.00 . A A . 16 TYR C 1 1 14 4558 1 1 16 TYR CA C -0.708 0.191 2.361 1.00 . A A . 16 TYR CA 1 1 14 4559 1 1 16 TYR CB C 0.766 0.048 1.976 1.00 . A A . 16 TYR CB 1 1 14 4560 1 1 16 TYR CD1 C 1.117 -1.691 3.771 1.00 . A A . 16 TYR CD1 1 1 14 4561 1 1 16 TYR CD2 C 2.915 -0.208 3.273 1.00 . A A . 16 TYR CD2 1 1 14 4562 1 1 16 TYR CE1 C 1.888 -2.312 4.733 1.00 . A A . 16 TYR CE1 1 1 14 4563 1 1 16 TYR CE2 C 3.694 -0.824 4.235 1.00 . A A . 16 TYR CE2 1 1 14 4564 1 1 16 TYR CG C 1.615 -0.631 3.027 1.00 . A A . 16 TYR CG 1 1 14 4565 1 1 16 TYR CZ C 3.176 -1.874 4.963 1.00 . A A . 16 TYR CZ 1 1 14 4566 1 1 16 TYR H H -1.137 -0.613 0.450 1.00 . A A . 16 TYR H 1 1 14 4567 1 1 16 TYR HA H -0.928 -0.496 3.161 1.00 . A A . 16 TYR HA 1 1 14 4568 1 1 16 TYR HB2 H 0.835 -0.538 1.072 1.00 . A A . 16 TYR HB2 1 1 14 4569 1 1 16 TYR HB3 H 1.181 1.029 1.795 1.00 . A A . 16 TYR HB3 1 1 14 4570 1 1 16 TYR HD1 H 0.111 -2.034 3.587 1.00 . A A . 16 TYR HD1 1 1 14 4571 1 1 16 TYR HD2 H 3.317 0.616 2.698 1.00 . A A . 16 TYR HD2 1 1 14 4572 1 1 16 TYR HE1 H 1.479 -3.134 5.303 1.00 . A A . 16 TYR HE1 1 1 14 4573 1 1 16 TYR HE2 H 4.702 -0.482 4.414 1.00 . A A . 16 TYR HE2 1 1 14 4574 1 1 16 TYR HH H 4.424 -1.826 6.424 1.00 . A A . 16 TYR HH 1 1 14 4575 1 1 16 TYR N N -1.550 -0.171 1.223 1.00 . A A . 16 TYR N 1 1 14 4576 1 1 16 TYR O O -1.391 1.813 3.997 1.00 . A A . 16 TYR O 1 1 14 4577 1 1 16 TYR OH O 3.948 -2.491 5.922 1.00 . A A . 16 TYR OH 1 1 14 4578 1 1 17 LYS C C -2.407 4.246 2.809 1.00 . A A . 17 LYS C 1 1 14 4579 1 1 17 LYS CA C -0.973 3.997 2.342 1.00 . A A . 17 LYS CA 1 1 14 4580 1 1 17 LYS CB C -0.652 4.900 1.150 1.00 . A A . 17 LYS CB 1 1 14 4581 1 1 17 LYS CD C -1.810 5.695 -0.934 1.00 . A A . 17 LYS CD 1 1 14 4582 1 1 17 LYS CE C -1.636 5.472 -2.429 1.00 . A A . 17 LYS CE 1 1 14 4583 1 1 17 LYS CG C -1.355 4.486 -0.132 1.00 . A A . 17 LYS CG 1 1 14 4584 1 1 17 LYS H H -0.427 2.376 1.091 1.00 . A A . 17 LYS H 1 1 14 4585 1 1 17 LYS HA H -0.300 4.237 3.151 1.00 . A A . 17 LYS HA 1 1 14 4586 1 1 17 LYS HB2 H -0.948 5.911 1.388 1.00 . A A . 17 LYS HB2 1 1 14 4587 1 1 17 LYS HB3 H 0.414 4.879 0.974 1.00 . A A . 17 LYS HB3 1 1 14 4588 1 1 17 LYS HD2 H -2.854 5.878 -0.728 1.00 . A A . 17 LYS HD2 1 1 14 4589 1 1 17 LYS HD3 H -1.227 6.553 -0.637 1.00 . A A . 17 LYS HD3 1 1 14 4590 1 1 17 LYS HE2 H -0.816 6.082 -2.777 1.00 . A A . 17 LYS HE2 1 1 14 4591 1 1 17 LYS HE3 H -1.408 4.430 -2.602 1.00 . A A . 17 LYS HE3 1 1 14 4592 1 1 17 LYS HG2 H -0.672 3.904 -0.733 1.00 . A A . 17 LYS HG2 1 1 14 4593 1 1 17 LYS HG3 H -2.216 3.887 0.120 1.00 . A A . 17 LYS HG3 1 1 14 4594 1 1 17 LYS HZ1 H -3.437 6.508 -2.647 1.00 . A A . 17 LYS HZ1 1 1 14 4595 1 1 17 LYS HZ2 H -3.433 4.983 -3.376 1.00 . A A . 17 LYS HZ2 1 1 14 4596 1 1 17 LYS HZ3 H -2.604 6.268 -4.100 1.00 . A A . 17 LYS HZ3 1 1 14 4597 1 1 17 LYS N N -0.757 2.596 1.986 1.00 . A A . 17 LYS N 1 1 14 4598 1 1 17 LYS NZ N -2.863 5.833 -3.191 1.00 . A A . 17 LYS NZ 1 1 14 4599 1 1 17 LYS O O -2.658 5.144 3.614 1.00 . A A . 17 LYS O 1 1 14 4600 1 1 18 GLN C C -5.158 2.604 3.730 1.00 . A A . 18 GLN C 1 1 14 4601 1 1 18 GLN CA C -4.752 3.600 2.658 1.00 . A A . 18 GLN CA 1 1 14 4602 1 1 18 GLN CB C -5.634 3.365 1.440 1.00 . A A . 18 GLN CB 1 1 14 4603 1 1 18 GLN CD C -5.871 5.546 0.187 1.00 . A A . 18 GLN CD 1 1 14 4604 1 1 18 GLN CG C -5.225 4.175 0.221 1.00 . A A . 18 GLN CG 1 1 14 4605 1 1 18 GLN H H -3.084 2.762 1.655 1.00 . A A . 18 GLN H 1 1 14 4606 1 1 18 GLN HA H -4.909 4.603 3.023 1.00 . A A . 18 GLN HA 1 1 14 4607 1 1 18 GLN HB2 H -5.591 2.312 1.190 1.00 . A A . 18 GLN HB2 1 1 14 4608 1 1 18 GLN HB3 H -6.651 3.621 1.695 1.00 . A A . 18 GLN HB3 1 1 14 4609 1 1 18 GLN HE21 H -7.204 4.912 -1.145 1.00 . A A . 18 GLN HE21 1 1 14 4610 1 1 18 GLN HE22 H -7.352 6.564 -0.663 1.00 . A A . 18 GLN HE22 1 1 14 4611 1 1 18 GLN HG2 H -4.153 4.301 0.231 1.00 . A A . 18 GLN HG2 1 1 14 4612 1 1 18 GLN HG3 H -5.514 3.635 -0.669 1.00 . A A . 18 GLN HG3 1 1 14 4613 1 1 18 GLN N N -3.343 3.456 2.296 1.00 . A A . 18 GLN N 1 1 14 4614 1 1 18 GLN NE2 N -6.915 5.689 -0.622 1.00 . A A . 18 GLN NE2 1 1 14 4615 1 1 18 GLN O O -6.342 2.306 3.885 1.00 . A A . 18 GLN O 1 1 14 4616 1 1 18 GLN OE1 O -5.439 6.467 0.881 1.00 . A A . 18 GLN OE1 1 1 14 4617 1 1 19 CYS C C -3.482 1.122 6.608 1.00 . A A . 19 CYS C 1 1 14 4618 1 1 19 CYS CA C -4.494 1.082 5.469 1.00 . A A . 19 CYS CA 1 1 14 4619 1 1 19 CYS CB C -4.545 -0.298 4.815 1.00 . A A . 19 CYS CB 1 1 14 4620 1 1 19 CYS H H -3.256 2.317 4.279 1.00 . A A . 19 CYS H 1 1 14 4621 1 1 19 CYS HA H -5.470 1.314 5.866 1.00 . A A . 19 CYS HA 1 1 14 4622 1 1 19 CYS HB2 H -5.050 -0.205 3.860 1.00 . A A . 19 CYS HB2 1 1 14 4623 1 1 19 CYS HB3 H -3.539 -0.651 4.646 1.00 . A A . 19 CYS HB3 1 1 14 4624 1 1 19 CYS N N -4.189 2.067 4.450 1.00 . A A . 19 CYS N 1 1 14 4625 1 1 19 CYS O O -3.743 1.713 7.656 1.00 . A A . 19 CYS O 1 1 14 4626 1 1 19 CYS SG S -5.415 -1.551 5.788 1.00 . A A . 19 CYS SG 1 1 14 4627 1 1 20 HIS C C -0.147 1.417 7.050 1.00 . A A . 20 HIS C 1 1 14 4628 1 1 20 HIS CA C -1.292 0.479 7.425 1.00 . A A . 20 HIS CA 1 1 14 4629 1 1 20 HIS CB C -0.787 -0.949 7.635 1.00 . A A . 20 HIS CB 1 1 14 4630 1 1 20 HIS CD2 C -1.768 -1.732 9.886 1.00 . A A . 20 HIS CD2 1 1 14 4631 1 1 20 HIS CE1 C -3.161 -3.204 9.087 1.00 . A A . 20 HIS CE1 1 1 14 4632 1 1 20 HIS CG C -1.667 -1.759 8.536 1.00 . A A . 20 HIS CG 1 1 14 4633 1 1 20 HIS H H -2.170 0.046 5.552 1.00 . A A . 20 HIS H 1 1 14 4634 1 1 20 HIS HA H -1.735 0.830 8.346 1.00 . A A . 20 HIS HA 1 1 14 4635 1 1 20 HIS HB2 H -0.734 -1.452 6.680 1.00 . A A . 20 HIS HB2 1 1 14 4636 1 1 20 HIS HB3 H 0.200 -0.915 8.074 1.00 . A A . 20 HIS HB3 1 1 14 4637 1 1 20 HIS HD2 H -1.211 -1.102 10.562 1.00 . A A . 20 HIS HD2 1 1 14 4638 1 1 20 HIS HE1 H -3.920 -3.970 9.033 1.00 . A A . 20 HIS HE1 1 1 14 4639 1 1 20 HIS HE2 H -2.895 -2.990 11.135 1.00 . A A . 20 HIS HE2 1 1 14 4640 1 1 20 HIS N N -2.329 0.498 6.405 1.00 . A A . 20 HIS N 1 1 14 4641 1 1 20 HIS ND1 N -2.548 -2.688 8.038 1.00 . A A . 20 HIS ND1 1 1 14 4642 1 1 20 HIS NE2 N -2.721 -2.656 10.231 1.00 . A A . 20 HIS NE2 1 1 14 4643 1 1 20 HIS O O -0.156 2.588 7.424 1.00 . A A . 20 HIS O 1 1 14 4644 1 1 21 GLY C C 2.640 2.417 7.048 1.00 . A A . 21 GLY C 1 1 14 4645 1 1 21 GLY CA C 1.960 1.716 5.888 1.00 . A A . 21 GLY CA 1 1 14 4646 1 1 21 GLY H H 0.781 -0.033 6.030 1.00 . A A . 21 GLY H 1 1 14 4647 1 1 21 GLY HA2 H 2.680 1.084 5.396 1.00 . A A . 21 GLY HA2 1 1 14 4648 1 1 21 GLY HA3 H 1.613 2.460 5.188 1.00 . A A . 21 GLY HA3 1 1 14 4649 1 1 21 GLY N N 0.829 0.903 6.305 1.00 . A A . 21 GLY N 1 1 14 4650 1 1 21 GLY O O 3.637 1.930 7.581 1.00 . A A . 21 GLY O 1 1 14 4651 1 1 22 ARG C C 1.811 4.167 9.802 1.00 . A A . 22 ARG C 1 1 14 4652 1 1 22 ARG CA C 2.651 4.339 8.540 1.00 . A A . 22 ARG CA 1 1 14 4653 1 1 22 ARG CB C 2.731 5.820 8.159 1.00 . A A . 22 ARG CB 1 1 14 4654 1 1 22 ARG CD C 4.179 7.556 7.060 1.00 . A A . 22 ARG CD 1 1 14 4655 1 1 22 ARG CG C 4.151 6.315 7.937 1.00 . A A . 22 ARG CG 1 1 14 4656 1 1 22 ARG CZ C 6.192 8.787 7.769 1.00 . A A . 22 ARG CZ 1 1 14 4657 1 1 22 ARG H H 1.300 3.894 6.970 1.00 . A A . 22 ARG H 1 1 14 4658 1 1 22 ARG HA H 3.648 3.973 8.734 1.00 . A A . 22 ARG HA 1 1 14 4659 1 1 22 ARG HB2 H 2.173 5.976 7.248 1.00 . A A . 22 ARG HB2 1 1 14 4660 1 1 22 ARG HB3 H 2.287 6.410 8.948 1.00 . A A . 22 ARG HB3 1 1 14 4661 1 1 22 ARG HD2 H 3.755 7.311 6.098 1.00 . A A . 22 ARG HD2 1 1 14 4662 1 1 22 ARG HD3 H 3.582 8.325 7.528 1.00 . A A . 22 ARG HD3 1 1 14 4663 1 1 22 ARG HE H 5.981 7.848 6.021 1.00 . A A . 22 ARG HE 1 1 14 4664 1 1 22 ARG HG2 H 4.593 6.552 8.894 1.00 . A A . 22 ARG HG2 1 1 14 4665 1 1 22 ARG HG3 H 4.723 5.534 7.458 1.00 . A A . 22 ARG HG3 1 1 14 4666 1 1 22 ARG HH11 H 4.692 8.783 9.125 1.00 . A A . 22 ARG HH11 1 1 14 4667 1 1 22 ARG HH12 H 6.119 9.641 9.599 1.00 . A A . 22 ARG HH12 1 1 14 4668 1 1 22 ARG HH21 H 7.860 8.974 6.642 1.00 . A A . 22 ARG HH21 1 1 14 4669 1 1 22 ARG HH22 H 7.917 9.751 8.189 1.00 . A A . 22 ARG HH22 1 1 14 4670 1 1 22 ARG N N 2.097 3.563 7.436 1.00 . A A . 22 ARG N 1 1 14 4671 1 1 22 ARG NE N 5.536 8.061 6.867 1.00 . A A . 22 ARG NE 1 1 14 4672 1 1 22 ARG NH1 N 5.621 9.096 8.926 1.00 . A A . 22 ARG NH1 1 1 14 4673 1 1 22 ARG NH2 N 7.425 9.205 7.513 1.00 . A A . 22 ARG NH2 1 1 14 4674 1 1 22 ARG O O 0.591 4.428 9.739 1.00 . A A . 22 ARG O 1 1 14 4675 1 1 22 ARG OXT O 2.380 3.773 10.842 1.00 . A A . 22 ARG OXT 1 1 14 4676 2 2 1 ZN ZN ZN -3.712 -3.092 6.342 1.00 . B A . 23 ZN ZN 1 1 15 4677 1 1 1 LYS C C 8.439 -2.741 0.476 1.00 . A A . 1 LYS C 1 1 15 4678 1 1 1 LYS CA C 9.542 -2.257 1.412 1.00 . A A . 1 LYS CA 1 1 15 4679 1 1 1 LYS CB C 10.249 -1.041 0.811 1.00 . A A . 1 LYS CB 1 1 15 4680 1 1 1 LYS CD C 10.683 1.370 1.371 1.00 . A A . 1 LYS CD 1 1 15 4681 1 1 1 LYS CE C 11.900 2.179 1.789 1.00 . A A . 1 LYS CE 1 1 15 4682 1 1 1 LYS CG C 10.779 -0.069 1.852 1.00 . A A . 1 LYS CG 1 1 15 4683 1 1 1 LYS H1 H 11.075 -3.466 0.765 1.00 . A A . 1 LYS H1 1 1 15 4684 1 1 1 LYS H2 H 10.041 -4.185 1.929 1.00 . A A . 1 LYS H2 1 1 15 4685 1 1 1 LYS H3 H 11.182 -2.997 2.410 1.00 . A A . 1 LYS H3 1 1 15 4686 1 1 1 LYS HA H 9.104 -1.981 2.360 1.00 . A A . 1 LYS HA 1 1 15 4687 1 1 1 LYS HB2 H 11.081 -1.382 0.212 1.00 . A A . 1 LYS HB2 1 1 15 4688 1 1 1 LYS HB3 H 9.554 -0.511 0.177 1.00 . A A . 1 LYS HB3 1 1 15 4689 1 1 1 LYS HD2 H 10.612 1.376 0.293 1.00 . A A . 1 LYS HD2 1 1 15 4690 1 1 1 LYS HD3 H 9.798 1.822 1.794 1.00 . A A . 1 LYS HD3 1 1 15 4691 1 1 1 LYS HE2 H 12.144 1.936 2.812 1.00 . A A . 1 LYS HE2 1 1 15 4692 1 1 1 LYS HE3 H 12.728 1.916 1.148 1.00 . A A . 1 LYS HE3 1 1 15 4693 1 1 1 LYS HG2 H 10.200 -0.175 2.757 1.00 . A A . 1 LYS HG2 1 1 15 4694 1 1 1 LYS HG3 H 11.814 -0.303 2.056 1.00 . A A . 1 LYS HG3 1 1 15 4695 1 1 1 LYS HZ1 H 11.132 3.979 2.522 1.00 . A A . 1 LYS HZ1 1 1 15 4696 1 1 1 LYS HZ2 H 11.096 3.855 0.835 1.00 . A A . 1 LYS HZ2 1 1 15 4697 1 1 1 LYS HZ3 H 12.559 4.156 1.629 1.00 . A A . 1 LYS HZ3 1 1 15 4698 1 1 1 LYS N N 10.551 -3.322 1.650 1.00 . A A . 1 LYS N 1 1 15 4699 1 1 1 LYS NZ N 11.655 3.645 1.686 1.00 . A A . 1 LYS NZ 1 1 15 4700 1 1 1 LYS O O 8.707 -3.162 -0.649 1.00 . A A . 1 LYS O 1 1 15 4701 1 1 2 VAL C C 5.517 -1.969 -0.699 1.00 . A A . 2 VAL C 1 1 15 4702 1 1 2 VAL CA C 6.055 -3.109 0.154 1.00 . A A . 2 VAL CA 1 1 15 4703 1 1 2 VAL CB C 4.911 -3.634 1.048 1.00 . A A . 2 VAL CB 1 1 15 4704 1 1 2 VAL CG1 C 4.326 -2.510 1.893 1.00 . A A . 2 VAL CG1 1 1 15 4705 1 1 2 VAL CG2 C 3.829 -4.285 0.199 1.00 . A A . 2 VAL CG2 1 1 15 4706 1 1 2 VAL H H 7.049 -2.332 1.854 1.00 . A A . 2 VAL H 1 1 15 4707 1 1 2 VAL HA H 6.379 -3.912 -0.492 1.00 . A A . 2 VAL HA 1 1 15 4708 1 1 2 VAL HB H 5.316 -4.383 1.713 1.00 . A A . 2 VAL HB 1 1 15 4709 1 1 2 VAL HG11 H 4.087 -2.886 2.877 1.00 . A A . 2 VAL HG11 1 1 15 4710 1 1 2 VAL HG12 H 3.428 -2.134 1.424 1.00 . A A . 2 VAL HG12 1 1 15 4711 1 1 2 VAL HG13 H 5.047 -1.710 1.980 1.00 . A A . 2 VAL HG13 1 1 15 4712 1 1 2 VAL HG21 H 3.474 -5.178 0.691 1.00 . A A . 2 VAL HG21 1 1 15 4713 1 1 2 VAL HG22 H 4.235 -4.543 -0.768 1.00 . A A . 2 VAL HG22 1 1 15 4714 1 1 2 VAL HG23 H 3.007 -3.594 0.071 1.00 . A A . 2 VAL HG23 1 1 15 4715 1 1 2 VAL N N 7.199 -2.678 0.949 1.00 . A A . 2 VAL N 1 1 15 4716 1 1 2 VAL O O 5.527 -0.811 -0.281 1.00 . A A . 2 VAL O 1 1 15 4717 1 1 3 GLY C C 3.310 -0.577 -2.095 1.00 . A A . 3 GLY C 1 1 15 4718 1 1 3 GLY CA C 4.470 -1.287 -2.759 1.00 . A A . 3 GLY CA 1 1 15 4719 1 1 3 GLY H H 5.028 -3.241 -2.167 1.00 . A A . 3 GLY H 1 1 15 4720 1 1 3 GLY HA2 H 5.239 -0.567 -2.998 1.00 . A A . 3 GLY HA2 1 1 15 4721 1 1 3 GLY HA3 H 4.125 -1.752 -3.670 1.00 . A A . 3 GLY HA3 1 1 15 4722 1 1 3 GLY N N 5.027 -2.302 -1.888 1.00 . A A . 3 GLY N 1 1 15 4723 1 1 3 GLY O O 2.190 -1.076 -2.094 1.00 . A A . 3 GLY O 1 1 15 4724 1 1 4 ARG C C 1.272 1.462 -1.594 1.00 . A A . 4 ARG C 1 1 15 4725 1 1 4 ARG CA C 2.570 1.345 -0.796 1.00 . A A . 4 ARG CA 1 1 15 4726 1 1 4 ARG CB C 3.095 2.735 -0.461 1.00 . A A . 4 ARG CB 1 1 15 4727 1 1 4 ARG CD C 3.195 4.573 1.242 1.00 . A A . 4 ARG CD 1 1 15 4728 1 1 4 ARG CG C 2.481 3.309 0.800 1.00 . A A . 4 ARG CG 1 1 15 4729 1 1 4 ARG CZ C 4.074 5.493 3.353 1.00 . A A . 4 ARG CZ 1 1 15 4730 1 1 4 ARG H H 4.510 0.907 -1.508 1.00 . A A . 4 ARG H 1 1 15 4731 1 1 4 ARG HA H 2.360 0.831 0.126 1.00 . A A . 4 ARG HA 1 1 15 4732 1 1 4 ARG HB2 H 4.166 2.684 -0.327 1.00 . A A . 4 ARG HB2 1 1 15 4733 1 1 4 ARG HB3 H 2.873 3.402 -1.281 1.00 . A A . 4 ARG HB3 1 1 15 4734 1 1 4 ARG HD2 H 4.211 4.541 0.874 1.00 . A A . 4 ARG HD2 1 1 15 4735 1 1 4 ARG HD3 H 2.687 5.426 0.817 1.00 . A A . 4 ARG HD3 1 1 15 4736 1 1 4 ARG HE H 2.572 4.186 3.210 1.00 . A A . 4 ARG HE 1 1 15 4737 1 1 4 ARG HG2 H 1.443 3.538 0.607 1.00 . A A . 4 ARG HG2 1 1 15 4738 1 1 4 ARG HG3 H 2.550 2.571 1.587 1.00 . A A . 4 ARG HG3 1 1 15 4739 1 1 4 ARG HH11 H 5.004 6.176 1.690 1.00 . A A . 4 ARG HH11 1 1 15 4740 1 1 4 ARG HH12 H 5.603 6.805 3.188 1.00 . A A . 4 ARG HH12 1 1 15 4741 1 1 4 ARG HH21 H 3.360 5.013 5.181 1.00 . A A . 4 ARG HH21 1 1 15 4742 1 1 4 ARG HH22 H 4.671 6.145 5.170 1.00 . A A . 4 ARG HH22 1 1 15 4743 1 1 4 ARG N N 3.589 0.576 -1.498 1.00 . A A . 4 ARG N 1 1 15 4744 1 1 4 ARG NE N 3.223 4.709 2.696 1.00 . A A . 4 ARG NE 1 1 15 4745 1 1 4 ARG NH1 N 4.966 6.217 2.689 1.00 . A A . 4 ARG NH1 1 1 15 4746 1 1 4 ARG NH2 N 4.031 5.556 4.676 1.00 . A A . 4 ARG NH2 1 1 15 4747 1 1 4 ARG O O 0.192 1.590 -1.016 1.00 . A A . 4 ARG O 1 1 15 4748 1 1 5 ASN C C -0.459 0.183 -4.011 1.00 . A A . 5 ASN C 1 1 15 4749 1 1 5 ASN CA C 0.201 1.543 -3.775 1.00 . A A . 5 ASN CA 1 1 15 4750 1 1 5 ASN CB C 0.582 2.177 -5.113 1.00 . A A . 5 ASN CB 1 1 15 4751 1 1 5 ASN CG C -0.559 2.968 -5.723 1.00 . A A . 5 ASN CG 1 1 15 4752 1 1 5 ASN H H 2.262 1.331 -3.325 1.00 . A A . 5 ASN H 1 1 15 4753 1 1 5 ASN HA H -0.505 2.188 -3.271 1.00 . A A . 5 ASN HA 1 1 15 4754 1 1 5 ASN HB2 H 1.418 2.844 -4.964 1.00 . A A . 5 ASN HB2 1 1 15 4755 1 1 5 ASN HB3 H 0.867 1.399 -5.806 1.00 . A A . 5 ASN HB3 1 1 15 4756 1 1 5 ASN HD21 H -1.038 1.429 -6.886 1.00 . A A . 5 ASN HD21 1 1 15 4757 1 1 5 ASN HD22 H -2.023 2.836 -7.062 1.00 . A A . 5 ASN HD22 1 1 15 4758 1 1 5 ASN N N 1.378 1.429 -2.916 1.00 . A A . 5 ASN N 1 1 15 4759 1 1 5 ASN ND2 N -1.279 2.349 -6.650 1.00 . A A . 5 ASN ND2 1 1 15 4760 1 1 5 ASN O O -1.461 0.087 -4.721 1.00 . A A . 5 ASN O 1 1 15 4761 1 1 5 ASN OD1 O -0.790 4.123 -5.365 1.00 . A A . 5 ASN OD1 1 1 15 4762 1 1 6 ASP C C -1.282 -2.585 -2.356 1.00 . A A . 6 ASP C 1 1 15 4763 1 1 6 ASP CA C -0.423 -2.213 -3.563 1.00 . A A . 6 ASP CA 1 1 15 4764 1 1 6 ASP CB C 0.731 -3.211 -3.724 1.00 . A A . 6 ASP CB 1 1 15 4765 1 1 6 ASP CG C 0.271 -4.657 -3.695 1.00 . A A . 6 ASP CG 1 1 15 4766 1 1 6 ASP H H 0.901 -0.724 -2.864 1.00 . A A . 6 ASP H 1 1 15 4767 1 1 6 ASP HA H -1.037 -2.236 -4.452 1.00 . A A . 6 ASP HA 1 1 15 4768 1 1 6 ASP HB2 H 1.223 -3.030 -4.667 1.00 . A A . 6 ASP HB2 1 1 15 4769 1 1 6 ASP HB3 H 1.439 -3.061 -2.921 1.00 . A A . 6 ASP HB3 1 1 15 4770 1 1 6 ASP N N 0.107 -0.862 -3.417 1.00 . A A . 6 ASP N 1 1 15 4771 1 1 6 ASP O O -0.995 -2.173 -1.232 1.00 . A A . 6 ASP O 1 1 15 4772 1 1 6 ASP OD1 O 0.118 -5.209 -2.586 1.00 . A A . 6 ASP OD1 1 1 15 4773 1 1 6 ASP OD2 O 0.067 -5.236 -4.783 1.00 . A A . 6 ASP OD2 1 1 15 4774 1 1 7 PRO C C -2.504 -4.243 -0.247 1.00 . A A . 7 PRO C 1 1 15 4775 1 1 7 PRO CA C -3.252 -3.802 -1.502 1.00 . A A . 7 PRO CA 1 1 15 4776 1 1 7 PRO CB C -4.021 -4.985 -2.118 1.00 . A A . 7 PRO CB 1 1 15 4777 1 1 7 PRO CD C -2.774 -3.910 -3.867 1.00 . A A . 7 PRO CD 1 1 15 4778 1 1 7 PRO CG C -3.427 -5.204 -3.476 1.00 . A A . 7 PRO CG 1 1 15 4779 1 1 7 PRO HA H -3.948 -3.019 -1.240 1.00 . A A . 7 PRO HA 1 1 15 4780 1 1 7 PRO HB2 H -3.899 -5.857 -1.493 1.00 . A A . 7 PRO HB2 1 1 15 4781 1 1 7 PRO HB3 H -5.070 -4.733 -2.186 1.00 . A A . 7 PRO HB3 1 1 15 4782 1 1 7 PRO HD2 H -1.927 -4.091 -4.511 1.00 . A A . 7 PRO HD2 1 1 15 4783 1 1 7 PRO HD3 H -3.485 -3.254 -4.346 1.00 . A A . 7 PRO HD3 1 1 15 4784 1 1 7 PRO HG2 H -2.693 -5.994 -3.430 1.00 . A A . 7 PRO HG2 1 1 15 4785 1 1 7 PRO HG3 H -4.207 -5.456 -4.180 1.00 . A A . 7 PRO HG3 1 1 15 4786 1 1 7 PRO N N -2.351 -3.372 -2.571 1.00 . A A . 7 PRO N 1 1 15 4787 1 1 7 PRO O O -1.719 -5.191 -0.281 1.00 . A A . 7 PRO O 1 1 15 4788 1 1 8 CYS C C -1.989 -5.350 2.367 1.00 . A A . 8 CYS C 1 1 15 4789 1 1 8 CYS CA C -2.122 -3.841 2.142 1.00 . A A . 8 CYS CA 1 1 15 4790 1 1 8 CYS CB C -2.937 -3.218 3.278 1.00 . A A . 8 CYS CB 1 1 15 4791 1 1 8 CYS H H -3.391 -2.798 0.810 1.00 . A A . 8 CYS H 1 1 15 4792 1 1 8 CYS HA H -1.138 -3.399 2.135 1.00 . A A . 8 CYS HA 1 1 15 4793 1 1 8 CYS HB2 H -3.387 -2.302 2.926 1.00 . A A . 8 CYS HB2 1 1 15 4794 1 1 8 CYS HB3 H -3.717 -3.906 3.568 1.00 . A A . 8 CYS HB3 1 1 15 4795 1 1 8 CYS N N -2.757 -3.543 0.858 1.00 . A A . 8 CYS N 1 1 15 4796 1 1 8 CYS O O -2.928 -6.105 2.120 1.00 . A A . 8 CYS O 1 1 15 4797 1 1 8 CYS SG S -1.974 -2.823 4.755 1.00 . A A . 8 CYS SG 1 1 15 4798 1 1 9 PRO C C -1.516 -7.815 4.140 1.00 . A A . 9 PRO C 1 1 15 4799 1 1 9 PRO CA C -0.570 -7.235 3.093 1.00 . A A . 9 PRO CA 1 1 15 4800 1 1 9 PRO CB C 0.878 -7.274 3.600 1.00 . A A . 9 PRO CB 1 1 15 4801 1 1 9 PRO CD C 0.362 -4.984 3.163 1.00 . A A . 9 PRO CD 1 1 15 4802 1 1 9 PRO CG C 1.170 -5.884 4.052 1.00 . A A . 9 PRO CG 1 1 15 4803 1 1 9 PRO HA H -0.649 -7.813 2.184 1.00 . A A . 9 PRO HA 1 1 15 4804 1 1 9 PRO HB2 H 0.957 -7.978 4.415 1.00 . A A . 9 PRO HB2 1 1 15 4805 1 1 9 PRO HB3 H 1.535 -7.571 2.796 1.00 . A A . 9 PRO HB3 1 1 15 4806 1 1 9 PRO HD2 H 0.075 -4.090 3.693 1.00 . A A . 9 PRO HD2 1 1 15 4807 1 1 9 PRO HD3 H 0.915 -4.737 2.271 1.00 . A A . 9 PRO HD3 1 1 15 4808 1 1 9 PRO HG2 H 0.870 -5.762 5.082 1.00 . A A . 9 PRO HG2 1 1 15 4809 1 1 9 PRO HG3 H 2.223 -5.675 3.939 1.00 . A A . 9 PRO HG3 1 1 15 4810 1 1 9 PRO N N -0.816 -5.810 2.840 1.00 . A A . 9 PRO N 1 1 15 4811 1 1 9 PRO O O -1.707 -9.029 4.208 1.00 . A A . 9 PRO O 1 1 15 4812 1 1 10 CYS C C -4.194 -8.170 5.401 1.00 . A A . 10 CYS C 1 1 15 4813 1 1 10 CYS CA C -3.029 -7.384 5.998 1.00 . A A . 10 CYS CA 1 1 15 4814 1 1 10 CYS CB C -3.555 -6.181 6.786 1.00 . A A . 10 CYS CB 1 1 15 4815 1 1 10 CYS H H -1.915 -5.990 4.858 1.00 . A A . 10 CYS H 1 1 15 4816 1 1 10 CYS HA H -2.485 -8.030 6.670 1.00 . A A . 10 CYS HA 1 1 15 4817 1 1 10 CYS HB2 H -4.148 -6.536 7.615 1.00 . A A . 10 CYS HB2 1 1 15 4818 1 1 10 CYS HB3 H -2.717 -5.616 7.166 1.00 . A A . 10 CYS HB3 1 1 15 4819 1 1 10 CYS N N -2.105 -6.946 4.957 1.00 . A A . 10 CYS N 1 1 15 4820 1 1 10 CYS O O -4.762 -9.047 6.051 1.00 . A A . 10 CYS O 1 1 15 4821 1 1 10 CYS SG S -4.587 -5.054 5.819 1.00 . A A . 10 CYS SG 1 1 15 4822 1 1 11 GLY C C -6.989 -7.940 3.823 1.00 . A A . 11 GLY C 1 1 15 4823 1 1 11 GLY CA C -5.635 -8.538 3.495 1.00 . A A . 11 GLY CA 1 1 15 4824 1 1 11 GLY H H -4.054 -7.144 3.687 1.00 . A A . 11 GLY H 1 1 15 4825 1 1 11 GLY HA2 H -5.482 -8.486 2.426 1.00 . A A . 11 GLY HA2 1 1 15 4826 1 1 11 GLY HA3 H -5.629 -9.575 3.797 1.00 . A A . 11 GLY HA3 1 1 15 4827 1 1 11 GLY N N -4.543 -7.850 4.158 1.00 . A A . 11 GLY N 1 1 15 4828 1 1 11 GLY O O -7.992 -8.651 3.879 1.00 . A A . 11 GLY O 1 1 15 4829 1 1 12 SER C C -8.956 -5.446 3.099 1.00 . A A . 12 SER C 1 1 15 4830 1 1 12 SER CA C -8.259 -5.936 4.365 1.00 . A A . 12 SER CA 1 1 15 4831 1 1 12 SER CB C -7.980 -4.754 5.296 1.00 . A A . 12 SER CB 1 1 15 4832 1 1 12 SER H H -6.186 -6.116 3.980 1.00 . A A . 12 SER H 1 1 15 4833 1 1 12 SER HA H -8.907 -6.635 4.870 1.00 . A A . 12 SER HA 1 1 15 4834 1 1 12 SER HB2 H -7.037 -4.301 5.026 1.00 . A A . 12 SER HB2 1 1 15 4835 1 1 12 SER HB3 H -8.771 -4.026 5.197 1.00 . A A . 12 SER HB3 1 1 15 4836 1 1 12 SER HG H -8.185 -4.454 7.220 1.00 . A A . 12 SER HG 1 1 15 4837 1 1 12 SER N N -7.018 -6.630 4.041 1.00 . A A . 12 SER N 1 1 15 4838 1 1 12 SER O O -10.181 -5.341 3.055 1.00 . A A . 12 SER O 1 1 15 4839 1 1 12 SER OG O -7.913 -5.174 6.648 1.00 . A A . 12 SER OG 1 1 15 4840 1 1 13 GLY C C -8.151 -3.326 0.410 1.00 . A A . 13 GLY C 1 1 15 4841 1 1 13 GLY CA C -8.722 -4.670 0.820 1.00 . A A . 13 GLY CA 1 1 15 4842 1 1 13 GLY H H -7.195 -5.249 2.168 1.00 . A A . 13 GLY H 1 1 15 4843 1 1 13 GLY HA2 H -8.508 -5.391 0.046 1.00 . A A . 13 GLY HA2 1 1 15 4844 1 1 13 GLY HA3 H -9.792 -4.576 0.926 1.00 . A A . 13 GLY HA3 1 1 15 4845 1 1 13 GLY N N -8.165 -5.146 2.073 1.00 . A A . 13 GLY N 1 1 15 4846 1 1 13 GLY O O -8.064 -3.017 -0.778 1.00 . A A . 13 GLY O 1 1 15 4847 1 1 14 LYS C C -5.689 -1.306 0.895 1.00 . A A . 14 LYS C 1 1 15 4848 1 1 14 LYS CA C -7.192 -1.210 1.140 1.00 . A A . 14 LYS CA 1 1 15 4849 1 1 14 LYS CB C -7.468 -0.277 2.320 1.00 . A A . 14 LYS CB 1 1 15 4850 1 1 14 LYS CD C -9.198 1.548 2.403 1.00 . A A . 14 LYS CD 1 1 15 4851 1 1 14 LYS CE C -10.505 1.841 1.683 1.00 . A A . 14 LYS CE 1 1 15 4852 1 1 14 LYS CG C -8.941 0.052 2.504 1.00 . A A . 14 LYS CG 1 1 15 4853 1 1 14 LYS H H -7.854 -2.834 2.324 1.00 . A A . 14 LYS H 1 1 15 4854 1 1 14 LYS HA H -7.665 -0.811 0.256 1.00 . A A . 14 LYS HA 1 1 15 4855 1 1 14 LYS HB2 H -7.108 -0.745 3.225 1.00 . A A . 14 LYS HB2 1 1 15 4856 1 1 14 LYS HB3 H -6.929 0.647 2.165 1.00 . A A . 14 LYS HB3 1 1 15 4857 1 1 14 LYS HD2 H -9.246 1.964 3.399 1.00 . A A . 14 LYS HD2 1 1 15 4858 1 1 14 LYS HD3 H -8.386 2.007 1.857 1.00 . A A . 14 LYS HD3 1 1 15 4859 1 1 14 LYS HE2 H -10.330 1.811 0.619 1.00 . A A . 14 LYS HE2 1 1 15 4860 1 1 14 LYS HE3 H -11.225 1.081 1.951 1.00 . A A . 14 LYS HE3 1 1 15 4861 1 1 14 LYS HG2 H -9.510 -0.452 1.739 1.00 . A A . 14 LYS HG2 1 1 15 4862 1 1 14 LYS HG3 H -9.257 -0.293 3.477 1.00 . A A . 14 LYS HG3 1 1 15 4863 1 1 14 LYS HZ1 H -12.089 3.133 2.111 1.00 . A A . 14 LYS HZ1 1 1 15 4864 1 1 14 LYS HZ2 H -10.790 3.879 1.326 1.00 . A A . 14 LYS HZ2 1 1 15 4865 1 1 14 LYS HZ3 H -10.672 3.482 2.966 1.00 . A A . 14 LYS HZ3 1 1 15 4866 1 1 14 LYS N N -7.760 -2.529 1.398 1.00 . A A . 14 LYS N 1 1 15 4867 1 1 14 LYS NZ N -11.052 3.177 2.047 1.00 . A A . 14 LYS NZ 1 1 15 4868 1 1 14 LYS O O -5.041 -2.258 1.331 1.00 . A A . 14 LYS O 1 1 15 4869 1 1 15 LYS C C -2.915 0.008 1.177 1.00 . A A . 15 LYS C 1 1 15 4870 1 1 15 LYS CA C -3.709 -0.294 -0.087 1.00 . A A . 15 LYS CA 1 1 15 4871 1 1 15 LYS CB C -3.383 0.748 -1.159 1.00 . A A . 15 LYS CB 1 1 15 4872 1 1 15 LYS CD C -4.149 -0.533 -3.178 1.00 . A A . 15 LYS CD 1 1 15 4873 1 1 15 LYS CE C -5.190 -1.578 -2.822 1.00 . A A . 15 LYS CE 1 1 15 4874 1 1 15 LYS CG C -4.324 0.728 -2.350 1.00 . A A . 15 LYS CG 1 1 15 4875 1 1 15 LYS H H -5.703 0.421 -0.114 1.00 . A A . 15 LYS H 1 1 15 4876 1 1 15 LYS HA H -3.431 -1.272 -0.449 1.00 . A A . 15 LYS HA 1 1 15 4877 1 1 15 LYS HB2 H -3.425 1.731 -0.713 1.00 . A A . 15 LYS HB2 1 1 15 4878 1 1 15 LYS HB3 H -2.380 0.571 -1.520 1.00 . A A . 15 LYS HB3 1 1 15 4879 1 1 15 LYS HD2 H -4.247 -0.283 -4.224 1.00 . A A . 15 LYS HD2 1 1 15 4880 1 1 15 LYS HD3 H -3.165 -0.940 -2.993 1.00 . A A . 15 LYS HD3 1 1 15 4881 1 1 15 LYS HE2 H -4.784 -2.557 -3.026 1.00 . A A . 15 LYS HE2 1 1 15 4882 1 1 15 LYS HE3 H -5.415 -1.495 -1.769 1.00 . A A . 15 LYS HE3 1 1 15 4883 1 1 15 LYS HG2 H -5.341 0.774 -1.994 1.00 . A A . 15 LYS HG2 1 1 15 4884 1 1 15 LYS HG3 H -4.118 1.587 -2.971 1.00 . A A . 15 LYS HG3 1 1 15 4885 1 1 15 LYS HZ1 H -6.530 -0.415 -3.924 1.00 . A A . 15 LYS HZ1 1 1 15 4886 1 1 15 LYS HZ2 H -7.269 -1.633 -3.013 1.00 . A A . 15 LYS HZ2 1 1 15 4887 1 1 15 LYS HZ3 H -6.441 -2.027 -4.434 1.00 . A A . 15 LYS HZ3 1 1 15 4888 1 1 15 LYS N N -5.139 -0.314 0.203 1.00 . A A . 15 LYS N 1 1 15 4889 1 1 15 LYS NZ N -6.446 -1.401 -3.603 1.00 . A A . 15 LYS NZ 1 1 15 4890 1 1 15 LYS O O -3.484 0.171 2.256 1.00 . A A . 15 LYS O 1 1 15 4891 1 1 16 TYR C C -0.990 1.772 2.714 1.00 . A A . 16 TYR C 1 1 15 4892 1 1 16 TYR CA C -0.729 0.370 2.170 1.00 . A A . 16 TYR CA 1 1 15 4893 1 1 16 TYR CB C 0.735 0.228 1.754 1.00 . A A . 16 TYR CB 1 1 15 4894 1 1 16 TYR CD1 C 1.154 -1.385 3.656 1.00 . A A . 16 TYR CD1 1 1 15 4895 1 1 16 TYR CD2 C 2.931 0.057 2.985 1.00 . A A . 16 TYR CD2 1 1 15 4896 1 1 16 TYR CE1 C 1.962 -1.935 4.632 1.00 . A A . 16 TYR CE1 1 1 15 4897 1 1 16 TYR CE2 C 3.746 -0.490 3.958 1.00 . A A . 16 TYR CE2 1 1 15 4898 1 1 16 TYR CG C 1.623 -0.381 2.817 1.00 . A A . 16 TYR CG 1 1 15 4899 1 1 16 TYR CZ C 3.257 -1.485 4.779 1.00 . A A . 16 TYR CZ 1 1 15 4900 1 1 16 TYR H H -1.201 -0.054 0.151 1.00 . A A . 16 TYR H 1 1 15 4901 1 1 16 TYR HA H -0.949 -0.348 2.943 1.00 . A A . 16 TYR HA 1 1 15 4902 1 1 16 TYR HB2 H 0.794 -0.397 0.877 1.00 . A A . 16 TYR HB2 1 1 15 4903 1 1 16 TYR HB3 H 1.126 1.207 1.518 1.00 . A A . 16 TYR HB3 1 1 15 4904 1 1 16 TYR HD1 H 0.140 -1.740 3.536 1.00 . A A . 16 TYR HD1 1 1 15 4905 1 1 16 TYR HD2 H 3.313 0.833 2.334 1.00 . A A . 16 TYR HD2 1 1 15 4906 1 1 16 TYR HE1 H 1.578 -2.715 5.274 1.00 . A A . 16 TYR HE1 1 1 15 4907 1 1 16 TYR HE2 H 4.760 -0.137 4.073 1.00 . A A . 16 TYR HE2 1 1 15 4908 1 1 16 TYR HH H 3.554 -2.172 6.550 1.00 . A A . 16 TYR HH 1 1 15 4909 1 1 16 TYR N N -1.598 0.084 1.037 1.00 . A A . 16 TYR N 1 1 15 4910 1 1 16 TYR O O -1.412 1.934 3.859 1.00 . A A . 16 TYR O 1 1 15 4911 1 1 16 TYR OH O 4.065 -2.030 5.750 1.00 . A A . 16 TYR OH 1 1 15 4912 1 1 17 LYS C C -2.395 4.380 2.765 1.00 . A A . 17 LYS C 1 1 15 4913 1 1 17 LYS CA C -0.961 4.172 2.288 1.00 . A A . 17 LYS CA 1 1 15 4914 1 1 17 LYS CB C -0.664 5.118 1.123 1.00 . A A . 17 LYS CB 1 1 15 4915 1 1 17 LYS CD C -1.307 5.850 -1.193 1.00 . A A . 17 LYS CD 1 1 15 4916 1 1 17 LYS CE C -2.343 5.657 -2.289 1.00 . A A . 17 LYS CE 1 1 15 4917 1 1 17 LYS CG C -1.370 4.731 -0.167 1.00 . A A . 17 LYS CG 1 1 15 4918 1 1 17 LYS H H -0.413 2.595 0.983 1.00 . A A . 17 LYS H 1 1 15 4919 1 1 17 LYS HA H -0.286 4.392 3.102 1.00 . A A . 17 LYS HA 1 1 15 4920 1 1 17 LYS HB2 H -0.979 6.115 1.395 1.00 . A A . 17 LYS HB2 1 1 15 4921 1 1 17 LYS HB3 H 0.400 5.123 0.939 1.00 . A A . 17 LYS HB3 1 1 15 4922 1 1 17 LYS HD2 H -1.495 6.791 -0.698 1.00 . A A . 17 LYS HD2 1 1 15 4923 1 1 17 LYS HD3 H -0.324 5.862 -1.638 1.00 . A A . 17 LYS HD3 1 1 15 4924 1 1 17 LYS HE2 H -2.008 6.170 -3.178 1.00 . A A . 17 LYS HE2 1 1 15 4925 1 1 17 LYS HE3 H -2.434 4.601 -2.498 1.00 . A A . 17 LYS HE3 1 1 15 4926 1 1 17 LYS HG2 H -0.894 3.853 -0.577 1.00 . A A . 17 LYS HG2 1 1 15 4927 1 1 17 LYS HG3 H -2.406 4.514 0.054 1.00 . A A . 17 LYS HG3 1 1 15 4928 1 1 17 LYS HZ1 H -4.276 6.307 -2.737 1.00 . A A . 17 LYS HZ1 1 1 15 4929 1 1 17 LYS HZ2 H -3.568 7.112 -1.429 1.00 . A A . 17 LYS HZ2 1 1 15 4930 1 1 17 LYS HZ3 H -4.143 5.534 -1.238 1.00 . A A . 17 LYS HZ3 1 1 15 4931 1 1 17 LYS N N -0.744 2.784 1.885 1.00 . A A . 17 LYS N 1 1 15 4932 1 1 17 LYS NZ N -3.675 6.190 -1.896 1.00 . A A . 17 LYS NZ 1 1 15 4933 1 1 17 LYS O O -2.667 5.249 3.593 1.00 . A A . 17 LYS O 1 1 15 4934 1 1 18 GLN C C -5.036 2.766 3.789 1.00 . A A . 18 GLN C 1 1 15 4935 1 1 18 GLN CA C -4.715 3.661 2.596 1.00 . A A . 18 GLN CA 1 1 15 4936 1 1 18 GLN CB C -5.586 3.249 1.409 1.00 . A A . 18 GLN CB 1 1 15 4937 1 1 18 GLN CD C -7.280 3.977 -0.317 1.00 . A A . 18 GLN CD 1 1 15 4938 1 1 18 GLN CG C -6.590 4.309 0.993 1.00 . A A . 18 GLN CG 1 1 15 4939 1 1 18 GLN H H -3.025 2.903 1.577 1.00 . A A . 18 GLN H 1 1 15 4940 1 1 18 GLN HA H -4.934 4.685 2.855 1.00 . A A . 18 GLN HA 1 1 15 4941 1 1 18 GLN HB2 H -4.946 3.038 0.565 1.00 . A A . 18 GLN HB2 1 1 15 4942 1 1 18 GLN HB3 H -6.127 2.349 1.673 1.00 . A A . 18 GLN HB3 1 1 15 4943 1 1 18 GLN HE21 H -8.949 3.501 0.653 1.00 . A A . 18 GLN HE21 1 1 15 4944 1 1 18 GLN HE22 H -9.008 3.344 -1.067 1.00 . A A . 18 GLN HE22 1 1 15 4945 1 1 18 GLN HG2 H -7.341 4.400 1.763 1.00 . A A . 18 GLN HG2 1 1 15 4946 1 1 18 GLN HG3 H -6.074 5.251 0.881 1.00 . A A . 18 GLN HG3 1 1 15 4947 1 1 18 GLN N N -3.307 3.574 2.233 1.00 . A A . 18 GLN N 1 1 15 4948 1 1 18 GLN NE2 N -8.540 3.566 -0.236 1.00 . A A . 18 GLN NE2 1 1 15 4949 1 1 18 GLN O O -6.200 2.589 4.145 1.00 . A A . 18 GLN O 1 1 15 4950 1 1 18 GLN OE1 O -6.686 4.089 -1.389 1.00 . A A . 18 GLN OE1 1 1 15 4951 1 1 19 CYS C C -2.994 1.351 6.478 1.00 . A A . 19 CYS C 1 1 15 4952 1 1 19 CYS CA C -4.199 1.301 5.529 1.00 . A A . 19 CYS CA 1 1 15 4953 1 1 19 CYS CB C -4.468 -0.115 5.014 1.00 . A A . 19 CYS CB 1 1 15 4954 1 1 19 CYS H H -3.097 2.352 4.065 1.00 . A A . 19 CYS H 1 1 15 4955 1 1 19 CYS HA H -5.071 1.647 6.066 1.00 . A A . 19 CYS HA 1 1 15 4956 1 1 19 CYS HB2 H -5.144 -0.055 4.169 1.00 . A A . 19 CYS HB2 1 1 15 4957 1 1 19 CYS HB3 H -3.537 -0.557 4.689 1.00 . A A . 19 CYS HB3 1 1 15 4958 1 1 19 CYS N N -4.004 2.187 4.394 1.00 . A A . 19 CYS N 1 1 15 4959 1 1 19 CYS O O -2.671 2.414 7.009 1.00 . A A . 19 CYS O 1 1 15 4960 1 1 19 CYS SG S -5.211 -1.222 6.235 1.00 . A A . 19 CYS SG 1 1 15 4961 1 1 20 HIS C C -0.075 1.117 7.096 1.00 . A A . 20 HIS C 1 1 15 4962 1 1 20 HIS CA C -1.171 0.178 7.588 1.00 . A A . 20 HIS CA 1 1 15 4963 1 1 20 HIS CB C -0.626 -1.247 7.697 1.00 . A A . 20 HIS CB 1 1 15 4964 1 1 20 HIS CD2 C -1.291 -2.402 9.907 1.00 . A A . 20 HIS CD2 1 1 15 4965 1 1 20 HIS CE1 C -3.010 -3.498 9.137 1.00 . A A . 20 HIS CE1 1 1 15 4966 1 1 20 HIS CG C -1.442 -2.133 8.587 1.00 . A A . 20 HIS CG 1 1 15 4967 1 1 20 HIS H H -2.616 -0.610 6.258 1.00 . A A . 20 HIS H 1 1 15 4968 1 1 20 HIS HA H -1.495 0.504 8.564 1.00 . A A . 20 HIS HA 1 1 15 4969 1 1 20 HIS HB2 H -0.602 -1.693 6.715 1.00 . A A . 20 HIS HB2 1 1 15 4970 1 1 20 HIS HB3 H 0.378 -1.210 8.094 1.00 . A A . 20 HIS HB3 1 1 15 4971 1 1 20 HIS HD2 H -0.530 -2.009 10.565 1.00 . A A . 20 HIS HD2 1 1 15 4972 1 1 20 HIS HE1 H -3.872 -4.146 9.090 1.00 . A A . 20 HIS HE1 1 1 15 4973 1 1 20 HIS HE2 H -2.556 -3.514 11.163 1.00 . A A . 20 HIS HE2 1 1 15 4974 1 1 20 HIS N N -2.328 0.215 6.697 1.00 . A A . 20 HIS N 1 1 15 4975 1 1 20 HIS ND1 N -2.526 -2.826 8.108 1.00 . A A . 20 HIS ND1 1 1 15 4976 1 1 20 HIS NE2 N -2.294 -3.273 10.251 1.00 . A A . 20 HIS NE2 1 1 15 4977 1 1 20 HIS O O 0.573 1.800 7.889 1.00 . A A . 20 HIS O 1 1 15 4978 1 1 21 GLY C C 0.920 3.470 5.531 1.00 . A A . 21 GLY C 1 1 15 4979 1 1 21 GLY CA C 1.147 2.006 5.209 1.00 . A A . 21 GLY CA 1 1 15 4980 1 1 21 GLY H H -0.419 0.580 5.198 1.00 . A A . 21 GLY H 1 1 15 4981 1 1 21 GLY HA2 H 2.111 1.709 5.594 1.00 . A A . 21 GLY HA2 1 1 15 4982 1 1 21 GLY HA3 H 1.146 1.881 4.136 1.00 . A A . 21 GLY HA3 1 1 15 4983 1 1 21 GLY N N 0.128 1.146 5.782 1.00 . A A . 21 GLY N 1 1 15 4984 1 1 21 GLY O O 1.866 4.204 5.816 1.00 . A A . 21 GLY O 1 1 15 4985 1 1 22 ARG C C 0.011 6.232 4.812 1.00 . A A . 22 ARG C 1 1 15 4986 1 1 22 ARG CA C -0.688 5.280 5.778 1.00 . A A . 22 ARG CA 1 1 15 4987 1 1 22 ARG CB C -0.317 5.629 7.222 1.00 . A A . 22 ARG CB 1 1 15 4988 1 1 22 ARG CD C -1.534 7.453 8.455 1.00 . A A . 22 ARG CD 1 1 15 4989 1 1 22 ARG CG C -1.515 5.977 8.091 1.00 . A A . 22 ARG CG 1 1 15 4990 1 1 22 ARG CZ C -3.268 7.657 10.193 1.00 . A A . 22 ARG CZ 1 1 15 4991 1 1 22 ARG H H -1.050 3.261 5.255 1.00 . A A . 22 ARG H 1 1 15 4992 1 1 22 ARG HA H -1.756 5.384 5.656 1.00 . A A . 22 ARG HA 1 1 15 4993 1 1 22 ARG HB2 H 0.187 4.782 7.664 1.00 . A A . 22 ARG HB2 1 1 15 4994 1 1 22 ARG HB3 H 0.356 6.474 7.217 1.00 . A A . 22 ARG HB3 1 1 15 4995 1 1 22 ARG HD2 H -0.535 7.849 8.350 1.00 . A A . 22 ARG HD2 1 1 15 4996 1 1 22 ARG HD3 H -2.198 7.970 7.777 1.00 . A A . 22 ARG HD3 1 1 15 4997 1 1 22 ARG HE H -1.307 7.843 10.508 1.00 . A A . 22 ARG HE 1 1 15 4998 1 1 22 ARG HG2 H -2.419 5.739 7.551 1.00 . A A . 22 ARG HG2 1 1 15 4999 1 1 22 ARG HG3 H -1.471 5.392 8.998 1.00 . A A . 22 ARG HG3 1 1 15 5000 1 1 22 ARG HH11 H -3.981 7.272 8.339 1.00 . A A . 22 ARG HH11 1 1 15 5001 1 1 22 ARG HH12 H -5.181 7.420 9.580 1.00 . A A . 22 ARG HH12 1 1 15 5002 1 1 22 ARG HH21 H -2.883 8.037 12.140 1.00 . A A . 22 ARG HH21 1 1 15 5003 1 1 22 ARG HH22 H -4.557 7.855 11.737 1.00 . A A . 22 ARG HH22 1 1 15 5004 1 1 22 ARG N N -0.338 3.894 5.487 1.00 . A A . 22 ARG N 1 1 15 5005 1 1 22 ARG NE N -1.990 7.674 9.825 1.00 . A A . 22 ARG NE 1 1 15 5006 1 1 22 ARG NH1 N -4.222 7.431 9.297 1.00 . A A . 22 ARG NH1 1 1 15 5007 1 1 22 ARG NH2 N -3.597 7.867 11.461 1.00 . A A . 22 ARG NH2 1 1 15 5008 1 1 22 ARG O O -0.649 6.699 3.860 1.00 . A A . 22 ARG O 1 1 15 5009 1 1 22 ARG OXT O 1.214 6.504 5.016 1.00 . A A . 22 ARG OXT 1 1 15 5010 2 2 1 ZN ZN ZN -3.646 -2.975 6.407 1.00 . B A . 23 ZN ZN 1 1 16 5011 1 1 1 LYS C C 8.915 -2.537 0.760 1.00 . A A . 1 LYS C 1 1 16 5012 1 1 1 LYS CA C 9.972 -1.944 1.684 1.00 . A A . 1 LYS CA 1 1 16 5013 1 1 1 LYS CB C 10.946 -1.079 0.883 1.00 . A A . 1 LYS CB 1 1 16 5014 1 1 1 LYS CD C 10.868 1.296 1.700 1.00 . A A . 1 LYS CD 1 1 16 5015 1 1 1 LYS CE C 11.351 2.243 2.787 1.00 . A A . 1 LYS CE 1 1 16 5016 1 1 1 LYS CG C 11.640 -0.013 1.716 1.00 . A A . 1 LYS CG 1 1 16 5017 1 1 1 LYS H1 H 11.514 -2.557 2.901 1.00 . A A . 1 LYS H1 1 1 16 5018 1 1 1 LYS H2 H 11.117 -3.653 1.643 1.00 . A A . 1 LYS H2 1 1 16 5019 1 1 1 LYS H3 H 10.094 -3.510 3.013 1.00 . A A . 1 LYS H3 1 1 16 5020 1 1 1 LYS HA H 9.487 -1.335 2.431 1.00 . A A . 1 LYS HA 1 1 16 5021 1 1 1 LYS HB2 H 11.704 -1.715 0.449 1.00 . A A . 1 LYS HB2 1 1 16 5022 1 1 1 LYS HB3 H 10.404 -0.588 0.089 1.00 . A A . 1 LYS HB3 1 1 16 5023 1 1 1 LYS HD2 H 11.002 1.770 0.739 1.00 . A A . 1 LYS HD2 1 1 16 5024 1 1 1 LYS HD3 H 9.820 1.086 1.857 1.00 . A A . 1 LYS HD3 1 1 16 5025 1 1 1 LYS HE2 H 11.990 1.699 3.466 1.00 . A A . 1 LYS HE2 1 1 16 5026 1 1 1 LYS HE3 H 11.913 3.043 2.326 1.00 . A A . 1 LYS HE3 1 1 16 5027 1 1 1 LYS HG2 H 11.718 -0.361 2.735 1.00 . A A . 1 LYS HG2 1 1 16 5028 1 1 1 LYS HG3 H 12.628 0.157 1.315 1.00 . A A . 1 LYS HG3 1 1 16 5029 1 1 1 LYS HZ1 H 9.949 3.750 3.151 1.00 . A A . 1 LYS HZ1 1 1 16 5030 1 1 1 LYS HZ2 H 10.494 2.968 4.549 1.00 . A A . 1 LYS HZ2 1 1 16 5031 1 1 1 LYS HZ3 H 9.396 2.194 3.522 1.00 . A A . 1 LYS HZ3 1 1 16 5032 1 1 1 LYS N N 10.743 -3.012 2.372 1.00 . A A . 1 LYS N 1 1 16 5033 1 1 1 LYS NZ N 10.219 2.829 3.556 1.00 . A A . 1 LYS NZ 1 1 16 5034 1 1 1 LYS O O 9.223 -3.342 -0.118 1.00 . A A . 1 LYS O 1 1 16 5035 1 1 2 VAL C C 6.026 -1.530 -0.769 1.00 . A A . 2 VAL C 1 1 16 5036 1 1 2 VAL CA C 6.561 -2.622 0.146 1.00 . A A . 2 VAL CA 1 1 16 5037 1 1 2 VAL CB C 5.399 -3.141 1.018 1.00 . A A . 2 VAL CB 1 1 16 5038 1 1 2 VAL CG1 C 4.797 -2.009 1.840 1.00 . A A . 2 VAL CG1 1 1 16 5039 1 1 2 VAL CG2 C 4.332 -3.800 0.153 1.00 . A A . 2 VAL CG2 1 1 16 5040 1 1 2 VAL H H 7.481 -1.488 1.677 1.00 . A A . 2 VAL H 1 1 16 5041 1 1 2 VAL HA H 6.926 -3.441 -0.457 1.00 . A A . 2 VAL HA 1 1 16 5042 1 1 2 VAL HB H 5.789 -3.883 1.699 1.00 . A A . 2 VAL HB 1 1 16 5043 1 1 2 VAL HG11 H 5.506 -1.692 2.591 1.00 . A A . 2 VAL HG11 1 1 16 5044 1 1 2 VAL HG12 H 3.893 -2.353 2.321 1.00 . A A . 2 VAL HG12 1 1 16 5045 1 1 2 VAL HG13 H 4.564 -1.176 1.190 1.00 . A A . 2 VAL HG13 1 1 16 5046 1 1 2 VAL HG21 H 3.767 -4.500 0.749 1.00 . A A . 2 VAL HG21 1 1 16 5047 1 1 2 VAL HG22 H 4.804 -4.322 -0.666 1.00 . A A . 2 VAL HG22 1 1 16 5048 1 1 2 VAL HG23 H 3.668 -3.042 -0.239 1.00 . A A . 2 VAL HG23 1 1 16 5049 1 1 2 VAL N N 7.664 -2.132 0.963 1.00 . A A . 2 VAL N 1 1 16 5050 1 1 2 VAL O O 6.198 -0.341 -0.502 1.00 . A A . 2 VAL O 1 1 16 5051 1 1 3 GLY C C 3.455 -0.457 -2.243 1.00 . A A . 3 GLY C 1 1 16 5052 1 1 3 GLY CA C 4.778 -0.985 -2.756 1.00 . A A . 3 GLY CA 1 1 16 5053 1 1 3 GLY H H 5.232 -2.902 -1.989 1.00 . A A . 3 GLY H 1 1 16 5054 1 1 3 GLY HA2 H 5.465 -0.159 -2.881 1.00 . A A . 3 GLY HA2 1 1 16 5055 1 1 3 GLY HA3 H 4.621 -1.463 -3.711 1.00 . A A . 3 GLY HA3 1 1 16 5056 1 1 3 GLY N N 5.353 -1.942 -1.836 1.00 . A A . 3 GLY N 1 1 16 5057 1 1 3 GLY O O 2.401 -0.979 -2.593 1.00 . A A . 3 GLY O 1 1 16 5058 1 1 4 ARG C C 1.140 1.227 -1.755 1.00 . A A . 4 ARG C 1 1 16 5059 1 1 4 ARG CA C 2.325 1.167 -0.787 1.00 . A A . 4 ARG CA 1 1 16 5060 1 1 4 ARG CB C 2.622 2.572 -0.248 1.00 . A A . 4 ARG CB 1 1 16 5061 1 1 4 ARG CD C 4.533 4.165 0.042 1.00 . A A . 4 ARG CD 1 1 16 5062 1 1 4 ARG CG C 3.773 3.290 -0.936 1.00 . A A . 4 ARG CG 1 1 16 5063 1 1 4 ARG CZ C 5.967 5.616 -1.340 1.00 . A A . 4 ARG CZ 1 1 16 5064 1 1 4 ARG H H 4.400 0.908 -1.136 1.00 . A A . 4 ARG H 1 1 16 5065 1 1 4 ARG HA H 2.046 0.544 0.043 1.00 . A A . 4 ARG HA 1 1 16 5066 1 1 4 ARG HB2 H 1.736 3.180 -0.361 1.00 . A A . 4 ARG HB2 1 1 16 5067 1 1 4 ARG HB3 H 2.857 2.494 0.804 1.00 . A A . 4 ARG HB3 1 1 16 5068 1 1 4 ARG HD2 H 3.934 5.035 0.268 1.00 . A A . 4 ARG HD2 1 1 16 5069 1 1 4 ARG HD3 H 4.701 3.600 0.948 1.00 . A A . 4 ARG HD3 1 1 16 5070 1 1 4 ARG HE H 6.619 4.108 -0.206 1.00 . A A . 4 ARG HE 1 1 16 5071 1 1 4 ARG HG2 H 4.451 2.560 -1.347 1.00 . A A . 4 ARG HG2 1 1 16 5072 1 1 4 ARG HG3 H 3.378 3.907 -1.728 1.00 . A A . 4 ARG HG3 1 1 16 5073 1 1 4 ARG HH11 H 3.995 6.060 -1.429 1.00 . A A . 4 ARG HH11 1 1 16 5074 1 1 4 ARG HH12 H 5.027 7.066 -2.389 1.00 . A A . 4 ARG HH12 1 1 16 5075 1 1 4 ARG HH21 H 7.976 5.431 -1.470 1.00 . A A . 4 ARG HH21 1 1 16 5076 1 1 4 ARG HH22 H 7.286 6.709 -2.414 1.00 . A A . 4 ARG HH22 1 1 16 5077 1 1 4 ARG N N 3.520 0.563 -1.389 1.00 . A A . 4 ARG N 1 1 16 5078 1 1 4 ARG NE N 5.820 4.600 -0.493 1.00 . A A . 4 ARG NE 1 1 16 5079 1 1 4 ARG NH1 N 4.909 6.303 -1.753 1.00 . A A . 4 ARG NH1 1 1 16 5080 1 1 4 ARG NH2 N 7.176 5.946 -1.777 1.00 . A A . 4 ARG NH2 1 1 16 5081 1 1 4 ARG O O -0.014 1.170 -1.332 1.00 . A A . 4 ARG O 1 1 16 5082 1 1 5 ASN C C -0.320 0.055 -4.256 1.00 . A A . 5 ASN C 1 1 16 5083 1 1 5 ASN CA C 0.371 1.410 -4.061 1.00 . A A . 5 ASN CA 1 1 16 5084 1 1 5 ASN CB C 0.950 1.891 -5.392 1.00 . A A . 5 ASN CB 1 1 16 5085 1 1 5 ASN CG C -0.078 2.608 -6.244 1.00 . A A . 5 ASN CG 1 1 16 5086 1 1 5 ASN H H 2.360 1.388 -3.331 1.00 . A A . 5 ASN H 1 1 16 5087 1 1 5 ASN HA H -0.362 2.126 -3.722 1.00 . A A . 5 ASN HA 1 1 16 5088 1 1 5 ASN HB2 H 1.767 2.571 -5.197 1.00 . A A . 5 ASN HB2 1 1 16 5089 1 1 5 ASN HB3 H 1.320 1.040 -5.945 1.00 . A A . 5 ASN HB3 1 1 16 5090 1 1 5 ASN HD21 H -0.872 0.869 -6.793 1.00 . A A . 5 ASN HD21 1 1 16 5091 1 1 5 ASN HD22 H -1.620 2.278 -7.456 1.00 . A A . 5 ASN HD22 1 1 16 5092 1 1 5 ASN N N 1.424 1.343 -3.049 1.00 . A A . 5 ASN N 1 1 16 5093 1 1 5 ASN ND2 N -0.944 1.841 -6.897 1.00 . A A . 5 ASN ND2 1 1 16 5094 1 1 5 ASN O O -1.227 -0.070 -5.078 1.00 . A A . 5 ASN O 1 1 16 5095 1 1 5 ASN OD1 O -0.095 3.836 -6.315 1.00 . A A . 5 ASN OD1 1 1 16 5096 1 1 6 ASP C C -1.332 -2.597 -2.385 1.00 . A A . 6 ASP C 1 1 16 5097 1 1 6 ASP CA C -0.462 -2.291 -3.603 1.00 . A A . 6 ASP CA 1 1 16 5098 1 1 6 ASP CB C 0.656 -3.333 -3.725 1.00 . A A . 6 ASP CB 1 1 16 5099 1 1 6 ASP CG C 0.146 -4.761 -3.667 1.00 . A A . 6 ASP CG 1 1 16 5100 1 1 6 ASP H H 0.838 -0.803 -2.869 1.00 . A A . 6 ASP H 1 1 16 5101 1 1 6 ASP HA H -1.075 -2.325 -4.491 1.00 . A A . 6 ASP HA 1 1 16 5102 1 1 6 ASP HB2 H 1.165 -3.194 -4.666 1.00 . A A . 6 ASP HB2 1 1 16 5103 1 1 6 ASP HB3 H 1.361 -3.190 -2.919 1.00 . A A . 6 ASP HB3 1 1 16 5104 1 1 6 ASP N N 0.113 -0.956 -3.503 1.00 . A A . 6 ASP N 1 1 16 5105 1 1 6 ASP O O -1.028 -2.169 -1.272 1.00 . A A . 6 ASP O 1 1 16 5106 1 1 6 ASP OD1 O -0.202 -5.222 -2.559 1.00 . A A . 6 ASP OD1 1 1 16 5107 1 1 6 ASP OD2 O 0.093 -5.417 -4.728 1.00 . A A . 6 ASP OD2 1 1 16 5108 1 1 7 PRO C C -2.609 -4.221 -0.258 1.00 . A A . 7 PRO C 1 1 16 5109 1 1 7 PRO CA C -3.345 -3.718 -1.497 1.00 . A A . 7 PRO CA 1 1 16 5110 1 1 7 PRO CB C -4.204 -4.841 -2.106 1.00 . A A . 7 PRO CB 1 1 16 5111 1 1 7 PRO CD C -2.871 -3.905 -3.863 1.00 . A A . 7 PRO CD 1 1 16 5112 1 1 7 PRO CG C -3.598 -5.147 -3.439 1.00 . A A . 7 PRO CG 1 1 16 5113 1 1 7 PRO HA H -3.980 -2.890 -1.221 1.00 . A A . 7 PRO HA 1 1 16 5114 1 1 7 PRO HB2 H -4.179 -5.705 -1.458 1.00 . A A . 7 PRO HB2 1 1 16 5115 1 1 7 PRO HB3 H -5.222 -4.498 -2.209 1.00 . A A . 7 PRO HB3 1 1 16 5116 1 1 7 PRO HD2 H -2.029 -4.152 -4.492 1.00 . A A . 7 PRO HD2 1 1 16 5117 1 1 7 PRO HD3 H -3.540 -3.226 -4.368 1.00 . A A . 7 PRO HD3 1 1 16 5118 1 1 7 PRO HG2 H -2.907 -5.972 -3.348 1.00 . A A . 7 PRO HG2 1 1 16 5119 1 1 7 PRO HG3 H -4.376 -5.385 -4.150 1.00 . A A . 7 PRO HG3 1 1 16 5120 1 1 7 PRO N N -2.430 -3.350 -2.580 1.00 . A A . 7 PRO N 1 1 16 5121 1 1 7 PRO O O -1.848 -5.187 -0.325 1.00 . A A . 7 PRO O 1 1 16 5122 1 1 8 CYS C C -2.124 -5.435 2.315 1.00 . A A . 8 CYS C 1 1 16 5123 1 1 8 CYS CA C -2.213 -3.916 2.144 1.00 . A A . 8 CYS CA 1 1 16 5124 1 1 8 CYS CB C -3.005 -3.312 3.307 1.00 . A A . 8 CYS CB 1 1 16 5125 1 1 8 CYS H H -3.458 -2.792 0.852 1.00 . A A . 8 CYS H 1 1 16 5126 1 1 8 CYS HA H -1.216 -3.503 2.147 1.00 . A A . 8 CYS HA 1 1 16 5127 1 1 8 CYS HB2 H -3.443 -2.380 2.987 1.00 . A A . 8 CYS HB2 1 1 16 5128 1 1 8 CYS HB3 H -3.794 -3.996 3.586 1.00 . A A . 8 CYS HB3 1 1 16 5129 1 1 8 CYS N N -2.843 -3.554 0.872 1.00 . A A . 8 CYS N 1 1 16 5130 1 1 8 CYS O O -3.090 -6.153 2.056 1.00 . A A . 8 CYS O 1 1 16 5131 1 1 8 CYS SG S -2.019 -2.975 4.784 1.00 . A A . 8 CYS SG 1 1 16 5132 1 1 9 PRO C C -1.637 -7.956 4.060 1.00 . A A . 9 PRO C 1 1 16 5133 1 1 9 PRO CA C -0.753 -7.386 2.954 1.00 . A A . 9 PRO CA 1 1 16 5134 1 1 9 PRO CB C 0.725 -7.492 3.344 1.00 . A A . 9 PRO CB 1 1 16 5135 1 1 9 PRO CD C 0.249 -5.168 3.086 1.00 . A A . 9 PRO CD 1 1 16 5136 1 1 9 PRO CG C 1.082 -6.144 3.866 1.00 . A A . 9 PRO CG 1 1 16 5137 1 1 9 PRO HA H -0.925 -7.938 2.041 1.00 . A A . 9 PRO HA 1 1 16 5138 1 1 9 PRO HB2 H 0.845 -8.253 4.101 1.00 . A A . 9 PRO HB2 1 1 16 5139 1 1 9 PRO HB3 H 1.313 -7.746 2.475 1.00 . A A . 9 PRO HB3 1 1 16 5140 1 1 9 PRO HD2 H 0.001 -4.311 3.695 1.00 . A A . 9 PRO HD2 1 1 16 5141 1 1 9 PRO HD3 H 0.767 -4.860 2.190 1.00 . A A . 9 PRO HD3 1 1 16 5142 1 1 9 PRO HG2 H 0.845 -6.082 4.918 1.00 . A A . 9 PRO HG2 1 1 16 5143 1 1 9 PRO HG3 H 2.132 -5.953 3.704 1.00 . A A . 9 PRO HG3 1 1 16 5144 1 1 9 PRO N N -0.959 -5.947 2.754 1.00 . A A . 9 PRO N 1 1 16 5145 1 1 9 PRO O O -1.860 -9.165 4.125 1.00 . A A . 9 PRO O 1 1 16 5146 1 1 10 CYS C C -4.199 -8.294 5.516 1.00 . A A . 10 CYS C 1 1 16 5147 1 1 10 CYS CA C -2.997 -7.507 6.031 1.00 . A A . 10 CYS CA 1 1 16 5148 1 1 10 CYS CB C -3.469 -6.295 6.838 1.00 . A A . 10 CYS CB 1 1 16 5149 1 1 10 CYS H H -1.926 -6.131 4.829 1.00 . A A . 10 CYS H 1 1 16 5150 1 1 10 CYS HA H -2.413 -8.150 6.674 1.00 . A A . 10 CYS HA 1 1 16 5151 1 1 10 CYS HB2 H -3.986 -6.640 7.720 1.00 . A A . 10 CYS HB2 1 1 16 5152 1 1 10 CYS HB3 H -2.608 -5.714 7.136 1.00 . A A . 10 CYS HB3 1 1 16 5153 1 1 10 CYS N N -2.138 -7.082 4.929 1.00 . A A . 10 CYS N 1 1 16 5154 1 1 10 CYS O O -4.721 -9.170 6.206 1.00 . A A . 10 CYS O 1 1 16 5155 1 1 10 CYS SG S -4.592 -5.197 5.940 1.00 . A A . 10 CYS SG 1 1 16 5156 1 1 11 GLY C C -7.088 -7.987 4.039 1.00 . A A . 11 GLY C 1 1 16 5157 1 1 11 GLY CA C -5.769 -8.663 3.716 1.00 . A A . 11 GLY CA 1 1 16 5158 1 1 11 GLY H H -4.178 -7.269 3.797 1.00 . A A . 11 GLY H 1 1 16 5159 1 1 11 GLY HA2 H -5.646 -8.691 2.643 1.00 . A A . 11 GLY HA2 1 1 16 5160 1 1 11 GLY HA3 H -5.796 -9.675 4.091 1.00 . A A . 11 GLY HA3 1 1 16 5161 1 1 11 GLY N N -4.634 -7.976 4.301 1.00 . A A . 11 GLY N 1 1 16 5162 1 1 11 GLY O O -8.114 -8.651 4.187 1.00 . A A . 11 GLY O 1 1 16 5163 1 1 12 SER C C -8.993 -5.492 3.179 1.00 . A A . 12 SER C 1 1 16 5164 1 1 12 SER CA C -8.263 -5.896 4.456 1.00 . A A . 12 SER CA 1 1 16 5165 1 1 12 SER CB C -7.906 -4.652 5.269 1.00 . A A . 12 SER CB 1 1 16 5166 1 1 12 SER H H -6.212 -6.189 4.019 1.00 . A A . 12 SER H 1 1 16 5167 1 1 12 SER HA H -8.914 -6.525 5.045 1.00 . A A . 12 SER HA 1 1 16 5168 1 1 12 SER HB2 H -6.928 -4.300 4.975 1.00 . A A . 12 SER HB2 1 1 16 5169 1 1 12 SER HB3 H -8.637 -3.879 5.082 1.00 . A A . 12 SER HB3 1 1 16 5170 1 1 12 SER HG H -8.754 -5.246 6.932 1.00 . A A . 12 SER HG 1 1 16 5171 1 1 12 SER N N -7.060 -6.663 4.149 1.00 . A A . 12 SER N 1 1 16 5172 1 1 12 SER O O -10.154 -5.845 2.978 1.00 . A A . 12 SER O 1 1 16 5173 1 1 12 SER OG O -7.888 -4.937 6.657 1.00 . A A . 12 SER OG 1 1 16 5174 1 1 13 GLY C C -8.288 -3.026 0.553 1.00 . A A . 13 GLY C 1 1 16 5175 1 1 13 GLY CA C -8.902 -4.310 1.073 1.00 . A A . 13 GLY CA 1 1 16 5176 1 1 13 GLY H H -7.380 -4.499 2.532 1.00 . A A . 13 GLY H 1 1 16 5177 1 1 13 GLY HA2 H -8.772 -5.084 0.331 1.00 . A A . 13 GLY HA2 1 1 16 5178 1 1 13 GLY HA3 H -9.959 -4.152 1.230 1.00 . A A . 13 GLY HA3 1 1 16 5179 1 1 13 GLY N N -8.303 -4.750 2.319 1.00 . A A . 13 GLY N 1 1 16 5180 1 1 13 GLY O O -8.264 -2.784 -0.655 1.00 . A A . 13 GLY O 1 1 16 5181 1 1 14 LYS C C -5.665 -1.088 0.925 1.00 . A A . 14 LYS C 1 1 16 5182 1 1 14 LYS CA C -7.172 -0.930 1.094 1.00 . A A . 14 LYS CA 1 1 16 5183 1 1 14 LYS CB C -7.465 0.136 2.153 1.00 . A A . 14 LYS CB 1 1 16 5184 1 1 14 LYS CD C -9.339 1.508 3.117 1.00 . A A . 14 LYS CD 1 1 16 5185 1 1 14 LYS CE C -10.263 2.180 2.114 1.00 . A A . 14 LYS CE 1 1 16 5186 1 1 14 LYS CG C -8.905 0.129 2.640 1.00 . A A . 14 LYS CG 1 1 16 5187 1 1 14 LYS H H -7.838 -2.447 2.413 1.00 . A A . 14 LYS H 1 1 16 5188 1 1 14 LYS HA H -7.598 -0.618 0.153 1.00 . A A . 14 LYS HA 1 1 16 5189 1 1 14 LYS HB2 H -6.819 -0.031 3.002 1.00 . A A . 14 LYS HB2 1 1 16 5190 1 1 14 LYS HB3 H -7.253 1.108 1.735 1.00 . A A . 14 LYS HB3 1 1 16 5191 1 1 14 LYS HD2 H -9.860 1.405 4.057 1.00 . A A . 14 LYS HD2 1 1 16 5192 1 1 14 LYS HD3 H -8.462 2.124 3.254 1.00 . A A . 14 LYS HD3 1 1 16 5193 1 1 14 LYS HE2 H -10.686 1.424 1.469 1.00 . A A . 14 LYS HE2 1 1 16 5194 1 1 14 LYS HE3 H -11.057 2.677 2.653 1.00 . A A . 14 LYS HE3 1 1 16 5195 1 1 14 LYS HG2 H -9.549 -0.179 1.831 1.00 . A A . 14 LYS HG2 1 1 16 5196 1 1 14 LYS HG3 H -8.995 -0.569 3.459 1.00 . A A . 14 LYS HG3 1 1 16 5197 1 1 14 LYS HZ1 H -8.550 2.899 1.160 1.00 . A A . 14 LYS HZ1 1 1 16 5198 1 1 14 LYS HZ2 H -9.575 4.116 1.733 1.00 . A A . 14 LYS HZ2 1 1 16 5199 1 1 14 LYS HZ3 H -9.988 3.249 0.341 1.00 . A A . 14 LYS HZ3 1 1 16 5200 1 1 14 LYS N N -7.790 -2.198 1.466 1.00 . A A . 14 LYS N 1 1 16 5201 1 1 14 LYS NZ N -9.544 3.181 1.279 1.00 . A A . 14 LYS NZ 1 1 16 5202 1 1 14 LYS O O -5.057 -1.988 1.504 1.00 . A A . 14 LYS O 1 1 16 5203 1 1 15 LYS C C -2.867 0.115 1.165 1.00 . A A . 15 LYS C 1 1 16 5204 1 1 15 LYS CA C -3.629 -0.245 -0.105 1.00 . A A . 15 LYS CA 1 1 16 5205 1 1 15 LYS CB C -3.249 0.713 -1.236 1.00 . A A . 15 LYS CB 1 1 16 5206 1 1 15 LYS CD C -4.938 1.183 -3.040 1.00 . A A . 15 LYS CD 1 1 16 5207 1 1 15 LYS CE C -6.284 0.528 -2.774 1.00 . A A . 15 LYS CE 1 1 16 5208 1 1 15 LYS CG C -3.787 0.294 -2.595 1.00 . A A . 15 LYS CG 1 1 16 5209 1 1 15 LYS H H -5.604 0.492 -0.298 1.00 . A A . 15 LYS H 1 1 16 5210 1 1 15 LYS HA H -3.368 -1.251 -0.393 1.00 . A A . 15 LYS HA 1 1 16 5211 1 1 15 LYS HB2 H -3.634 1.695 -1.005 1.00 . A A . 15 LYS HB2 1 1 16 5212 1 1 15 LYS HB3 H -2.172 0.764 -1.301 1.00 . A A . 15 LYS HB3 1 1 16 5213 1 1 15 LYS HD2 H -4.890 2.115 -2.497 1.00 . A A . 15 LYS HD2 1 1 16 5214 1 1 15 LYS HD3 H -4.843 1.374 -4.099 1.00 . A A . 15 LYS HD3 1 1 16 5215 1 1 15 LYS HE2 H -6.131 -0.529 -2.610 1.00 . A A . 15 LYS HE2 1 1 16 5216 1 1 15 LYS HE3 H -6.717 0.970 -1.888 1.00 . A A . 15 LYS HE3 1 1 16 5217 1 1 15 LYS HG2 H -2.994 0.361 -3.323 1.00 . A A . 15 LYS HG2 1 1 16 5218 1 1 15 LYS HG3 H -4.136 -0.726 -2.533 1.00 . A A . 15 LYS HG3 1 1 16 5219 1 1 15 LYS HZ1 H -7.852 1.520 -3.735 1.00 . A A . 15 LYS HZ1 1 1 16 5220 1 1 15 LYS HZ2 H -7.808 -0.144 -4.036 1.00 . A A . 15 LYS HZ2 1 1 16 5221 1 1 15 LYS HZ3 H -6.694 0.881 -4.792 1.00 . A A . 15 LYS HZ3 1 1 16 5222 1 1 15 LYS N N -5.067 -0.205 0.133 1.00 . A A . 15 LYS N 1 1 16 5223 1 1 15 LYS NZ N -7.225 0.709 -3.914 1.00 . A A . 15 LYS NZ 1 1 16 5224 1 1 15 LYS O O -3.450 0.624 2.123 1.00 . A A . 15 LYS O 1 1 16 5225 1 1 16 TYR C C -1.005 1.548 2.866 1.00 . A A . 16 TYR C 1 1 16 5226 1 1 16 TYR CA C -0.723 0.147 2.325 1.00 . A A . 16 TYR CA 1 1 16 5227 1 1 16 TYR CB C 0.752 0.018 1.945 1.00 . A A . 16 TYR CB 1 1 16 5228 1 1 16 TYR CD1 C 1.150 -1.685 3.767 1.00 . A A . 16 TYR CD1 1 1 16 5229 1 1 16 TYR CD2 C 2.888 -0.127 3.278 1.00 . A A . 16 TYR CD2 1 1 16 5230 1 1 16 TYR CE1 C 1.935 -2.259 4.748 1.00 . A A . 16 TYR CE1 1 1 16 5231 1 1 16 TYR CE2 C 3.680 -0.697 4.257 1.00 . A A . 16 TYR CE2 1 1 16 5232 1 1 16 TYR CG C 1.612 -0.611 3.016 1.00 . A A . 16 TYR CG 1 1 16 5233 1 1 16 TYR CZ C 3.198 -1.762 4.990 1.00 . A A . 16 TYR CZ 1 1 16 5234 1 1 16 TYR H H -1.154 -0.558 0.377 1.00 . A A . 16 TYR H 1 1 16 5235 1 1 16 TYR HA H -0.952 -0.574 3.095 1.00 . A A . 16 TYR HA 1 1 16 5236 1 1 16 TYR HB2 H 0.832 -0.592 1.059 1.00 . A A . 16 TYR HB2 1 1 16 5237 1 1 16 TYR HB3 H 1.148 1.001 1.736 1.00 . A A . 16 TYR HB3 1 1 16 5238 1 1 16 TYR HD1 H 0.161 -2.074 3.573 1.00 . A A . 16 TYR HD1 1 1 16 5239 1 1 16 TYR HD2 H 3.263 0.706 2.699 1.00 . A A . 16 TYR HD2 1 1 16 5240 1 1 16 TYR HE1 H 1.557 -3.094 5.321 1.00 . A A . 16 TYR HE1 1 1 16 5241 1 1 16 TYR HE2 H 4.670 -0.307 4.445 1.00 . A A . 16 TYR HE2 1 1 16 5242 1 1 16 TYR HH H 4.021 -1.748 6.727 1.00 . A A . 16 TYR HH 1 1 16 5243 1 1 16 TYR N N -1.563 -0.150 1.170 1.00 . A A . 16 TYR N 1 1 16 5244 1 1 16 TYR O O -1.558 1.702 3.955 1.00 . A A . 16 TYR O 1 1 16 5245 1 1 16 TYR OH O 3.983 -2.331 5.967 1.00 . A A . 16 TYR OH 1 1 16 5246 1 1 17 LYS C C -2.325 4.187 2.845 1.00 . A A . 17 LYS C 1 1 16 5247 1 1 17 LYS CA C -0.855 3.950 2.500 1.00 . A A . 17 LYS CA 1 1 16 5248 1 1 17 LYS CB C -0.422 4.905 1.386 1.00 . A A . 17 LYS CB 1 1 16 5249 1 1 17 LYS CD C -1.806 5.748 -0.540 1.00 . A A . 17 LYS CD 1 1 16 5250 1 1 17 LYS CE C -2.476 5.386 -1.856 1.00 . A A . 17 LYS CE 1 1 16 5251 1 1 17 LYS CG C -1.028 4.572 0.031 1.00 . A A . 17 LYS CG 1 1 16 5252 1 1 17 LYS H H -0.203 2.382 1.235 1.00 . A A . 17 LYS H 1 1 16 5253 1 1 17 LYS HA H -0.257 4.141 3.378 1.00 . A A . 17 LYS HA 1 1 16 5254 1 1 17 LYS HB2 H -0.717 5.909 1.653 1.00 . A A . 17 LYS HB2 1 1 16 5255 1 1 17 LYS HB3 H 0.653 4.868 1.295 1.00 . A A . 17 LYS HB3 1 1 16 5256 1 1 17 LYS HD2 H -2.564 6.044 0.169 1.00 . A A . 17 LYS HD2 1 1 16 5257 1 1 17 LYS HD3 H -1.125 6.570 -0.707 1.00 . A A . 17 LYS HD3 1 1 16 5258 1 1 17 LYS HE2 H -2.859 4.379 -1.786 1.00 . A A . 17 LYS HE2 1 1 16 5259 1 1 17 LYS HE3 H -3.295 6.070 -2.027 1.00 . A A . 17 LYS HE3 1 1 16 5260 1 1 17 LYS HG2 H -0.233 4.315 -0.653 1.00 . A A . 17 LYS HG2 1 1 16 5261 1 1 17 LYS HG3 H -1.695 3.730 0.143 1.00 . A A . 17 LYS HG3 1 1 16 5262 1 1 17 LYS HZ1 H -1.719 4.696 -3.675 1.00 . A A . 17 LYS HZ1 1 1 16 5263 1 1 17 LYS HZ2 H -0.550 5.381 -2.664 1.00 . A A . 17 LYS HZ2 1 1 16 5264 1 1 17 LYS HZ3 H -1.638 6.376 -3.493 1.00 . A A . 17 LYS HZ3 1 1 16 5265 1 1 17 LYS N N -0.632 2.565 2.096 1.00 . A A . 17 LYS N 1 1 16 5266 1 1 17 LYS NZ N -1.530 5.465 -3.002 1.00 . A A . 17 LYS NZ 1 1 16 5267 1 1 17 LYS O O -2.657 5.094 3.608 1.00 . A A . 17 LYS O 1 1 16 5268 1 1 18 GLN C C -5.086 2.513 3.613 1.00 . A A . 18 GLN C 1 1 16 5269 1 1 18 GLN CA C -4.634 3.473 2.521 1.00 . A A . 18 GLN CA 1 1 16 5270 1 1 18 GLN CB C -5.411 3.156 1.245 1.00 . A A . 18 GLN CB 1 1 16 5271 1 1 18 GLN CD C -5.083 5.226 -0.167 1.00 . A A . 18 GLN CD 1 1 16 5272 1 1 18 GLN CG C -4.795 3.745 -0.015 1.00 . A A . 18 GLN CG 1 1 16 5273 1 1 18 GLN H H -2.873 2.659 1.679 1.00 . A A . 18 GLN H 1 1 16 5274 1 1 18 GLN HA H -4.849 4.485 2.826 1.00 . A A . 18 GLN HA 1 1 16 5275 1 1 18 GLN HB2 H -5.457 2.080 1.133 1.00 . A A . 18 GLN HB2 1 1 16 5276 1 1 18 GLN HB3 H -6.415 3.541 1.345 1.00 . A A . 18 GLN HB3 1 1 16 5277 1 1 18 GLN HE21 H -5.951 4.901 -1.926 1.00 . A A . 18 GLN HE21 1 1 16 5278 1 1 18 GLN HE22 H -5.910 6.546 -1.402 1.00 . A A . 18 GLN HE22 1 1 16 5279 1 1 18 GLN HG2 H -3.725 3.603 0.021 1.00 . A A . 18 GLN HG2 1 1 16 5280 1 1 18 GLN HG3 H -5.197 3.225 -0.873 1.00 . A A . 18 GLN HG3 1 1 16 5281 1 1 18 GLN N N -3.199 3.362 2.278 1.00 . A A . 18 GLN N 1 1 16 5282 1 1 18 GLN NE2 N -5.712 5.596 -1.277 1.00 . A A . 18 GLN NE2 1 1 16 5283 1 1 18 GLN O O -6.281 2.262 3.767 1.00 . A A . 18 GLN O 1 1 16 5284 1 1 18 GLN OE1 O -4.745 6.028 0.702 1.00 . A A . 18 GLN OE1 1 1 16 5285 1 1 19 CYS C C -3.466 1.034 6.544 1.00 . A A . 19 CYS C 1 1 16 5286 1 1 19 CYS CA C -4.475 1.003 5.399 1.00 . A A . 19 CYS CA 1 1 16 5287 1 1 19 CYS CB C -4.557 -0.397 4.791 1.00 . A A . 19 CYS CB 1 1 16 5288 1 1 19 CYS H H -3.196 2.169 4.182 1.00 . A A . 19 CYS H 1 1 16 5289 1 1 19 CYS HA H -5.446 1.270 5.786 1.00 . A A . 19 CYS HA 1 1 16 5290 1 1 19 CYS HB2 H -5.000 -0.320 3.805 1.00 . A A . 19 CYS HB2 1 1 16 5291 1 1 19 CYS HB3 H -3.561 -0.802 4.698 1.00 . A A . 19 CYS HB3 1 1 16 5292 1 1 19 CYS N N -4.136 1.954 4.354 1.00 . A A . 19 CYS N 1 1 16 5293 1 1 19 CYS O O -3.754 1.558 7.620 1.00 . A A . 19 CYS O 1 1 16 5294 1 1 19 CYS SG S -5.543 -1.569 5.752 1.00 . A A . 19 CYS SG 1 1 16 5295 1 1 20 HIS C C -0.002 1.186 6.898 1.00 . A A . 20 HIS C 1 1 16 5296 1 1 20 HIS CA C -1.249 0.425 7.341 1.00 . A A . 20 HIS CA 1 1 16 5297 1 1 20 HIS CB C -0.886 -1.024 7.670 1.00 . A A . 20 HIS CB 1 1 16 5298 1 1 20 HIS CD2 C -2.109 -1.518 9.887 1.00 . A A . 20 HIS CD2 1 1 16 5299 1 1 20 HIS CE1 C -3.470 -3.036 9.119 1.00 . A A . 20 HIS CE1 1 1 16 5300 1 1 20 HIS CG C -1.880 -1.698 8.564 1.00 . A A . 20 HIS CG 1 1 16 5301 1 1 20 HIS H H -2.114 0.055 5.442 1.00 . A A . 20 HIS H 1 1 16 5302 1 1 20 HIS HA H -1.644 0.895 8.228 1.00 . A A . 20 HIS HA 1 1 16 5303 1 1 20 HIS HB2 H -0.826 -1.591 6.753 1.00 . A A . 20 HIS HB2 1 1 16 5304 1 1 20 HIS HB3 H 0.074 -1.044 8.164 1.00 . A A . 20 HIS HB3 1 1 16 5305 1 1 20 HIS HD2 H -1.596 -0.832 10.544 1.00 . A A . 20 HIS HD2 1 1 16 5306 1 1 20 HIS HE1 H -4.247 -3.785 9.074 1.00 . A A . 20 HIS HE1 1 1 16 5307 1 1 20 HIS HE2 H -3.628 -2.355 11.074 1.00 . A A . 20 HIS HE2 1 1 16 5308 1 1 20 HIS N N -2.287 0.464 6.315 1.00 . A A . 20 HIS N 1 1 16 5309 1 1 20 HIS ND1 N -2.741 -2.657 8.085 1.00 . A A . 20 HIS ND1 1 1 16 5310 1 1 20 HIS NE2 N -3.124 -2.374 10.233 1.00 . A A . 20 HIS NE2 1 1 16 5311 1 1 20 HIS O O 0.662 1.831 7.709 1.00 . A A . 20 HIS O 1 1 16 5312 1 1 21 GLY C C 1.567 3.238 5.534 1.00 . A A . 21 GLY C 1 1 16 5313 1 1 21 GLY CA C 1.477 1.793 5.080 1.00 . A A . 21 GLY CA 1 1 16 5314 1 1 21 GLY H H -0.256 0.577 5.010 1.00 . A A . 21 GLY H 1 1 16 5315 1 1 21 GLY HA2 H 2.364 1.270 5.405 1.00 . A A . 21 GLY HA2 1 1 16 5316 1 1 21 GLY HA3 H 1.435 1.768 4.000 1.00 . A A . 21 GLY HA3 1 1 16 5317 1 1 21 GLY N N 0.310 1.107 5.609 1.00 . A A . 21 GLY N 1 1 16 5318 1 1 21 GLY O O 2.660 3.798 5.630 1.00 . A A . 21 GLY O 1 1 16 5319 1 1 22 ARG C C 1.109 5.399 7.585 1.00 . A A . 22 ARG C 1 1 16 5320 1 1 22 ARG CA C 0.372 5.230 6.260 1.00 . A A . 22 ARG CA 1 1 16 5321 1 1 22 ARG CB C -1.078 5.696 6.409 1.00 . A A . 22 ARG CB 1 1 16 5322 1 1 22 ARG CD C -3.350 4.708 6.829 1.00 . A A . 22 ARG CD 1 1 16 5323 1 1 22 ARG CG C -1.913 4.808 7.316 1.00 . A A . 22 ARG CG 1 1 16 5324 1 1 22 ARG CZ C -5.578 5.424 7.599 1.00 . A A . 22 ARG CZ 1 1 16 5325 1 1 22 ARG H H -0.421 3.344 5.718 1.00 . A A . 22 ARG H 1 1 16 5326 1 1 22 ARG HA H 0.861 5.835 5.512 1.00 . A A . 22 ARG HA 1 1 16 5327 1 1 22 ARG HB2 H -1.081 6.696 6.818 1.00 . A A . 22 ARG HB2 1 1 16 5328 1 1 22 ARG HB3 H -1.538 5.714 5.433 1.00 . A A . 22 ARG HB3 1 1 16 5329 1 1 22 ARG HD2 H -3.389 5.016 5.794 1.00 . A A . 22 ARG HD2 1 1 16 5330 1 1 22 ARG HD3 H -3.673 3.680 6.908 1.00 . A A . 22 ARG HD3 1 1 16 5331 1 1 22 ARG HE H -3.851 6.245 8.170 1.00 . A A . 22 ARG HE 1 1 16 5332 1 1 22 ARG HG2 H -1.480 3.819 7.334 1.00 . A A . 22 ARG HG2 1 1 16 5333 1 1 22 ARG HG3 H -1.909 5.224 8.313 1.00 . A A . 22 ARG HG3 1 1 16 5334 1 1 22 ARG HH11 H -5.600 3.882 6.291 1.00 . A A . 22 ARG HH11 1 1 16 5335 1 1 22 ARG HH12 H -7.154 4.405 6.848 1.00 . A A . 22 ARG HH12 1 1 16 5336 1 1 22 ARG HH21 H -5.893 6.934 8.905 1.00 . A A . 22 ARG HH21 1 1 16 5337 1 1 22 ARG HH22 H -7.321 6.139 8.331 1.00 . A A . 22 ARG HH22 1 1 16 5338 1 1 22 ARG N N 0.417 3.842 5.813 1.00 . A A . 22 ARG N 1 1 16 5339 1 1 22 ARG NE N -4.253 5.550 7.609 1.00 . A A . 22 ARG NE 1 1 16 5340 1 1 22 ARG NH1 N -6.158 4.494 6.850 1.00 . A A . 22 ARG NH1 1 1 16 5341 1 1 22 ARG NH2 N -6.325 6.232 8.339 1.00 . A A . 22 ARG NH2 1 1 16 5342 1 1 22 ARG O O 0.977 4.510 8.452 1.00 . A A . 22 ARG O 1 1 16 5343 1 1 22 ARG OXT O 1.814 6.418 7.744 1.00 . A A . 22 ARG OXT 1 1 16 5344 2 2 1 ZN ZN ZN -3.783 -3.018 6.349 1.00 . B A . 23 ZN ZN 1 1 17 5345 1 1 1 LYS C C 8.648 -2.677 0.613 1.00 . A A . 1 LYS C 1 1 17 5346 1 1 1 LYS CA C 9.704 -2.090 1.544 1.00 . A A . 1 LYS CA 1 1 17 5347 1 1 1 LYS CB C 10.565 -1.072 0.793 1.00 . A A . 1 LYS CB 1 1 17 5348 1 1 1 LYS CD C 10.729 -1.194 -1.713 1.00 . A A . 1 LYS CD 1 1 17 5349 1 1 1 LYS CE C 11.814 -0.962 -2.752 1.00 . A A . 1 LYS CE 1 1 17 5350 1 1 1 LYS CG C 11.314 -1.663 -0.391 1.00 . A A . 1 LYS CG 1 1 17 5351 1 1 1 LYS H1 H 10.841 -3.788 1.303 1.00 . A A . 1 LYS H1 1 1 17 5352 1 1 1 LYS H2 H 10.063 -3.658 2.828 1.00 . A A . 1 LYS H2 1 1 17 5353 1 1 1 LYS H3 H 11.437 -2.691 2.477 1.00 . A A . 1 LYS H3 1 1 17 5354 1 1 1 LYS HA H 9.212 -1.600 2.370 1.00 . A A . 1 LYS HA 1 1 17 5355 1 1 1 LYS HB2 H 9.927 -0.278 0.432 1.00 . A A . 1 LYS HB2 1 1 17 5356 1 1 1 LYS HB3 H 11.288 -0.656 1.479 1.00 . A A . 1 LYS HB3 1 1 17 5357 1 1 1 LYS HD2 H 10.048 -1.945 -2.082 1.00 . A A . 1 LYS HD2 1 1 17 5358 1 1 1 LYS HD3 H 10.194 -0.269 -1.552 1.00 . A A . 1 LYS HD3 1 1 17 5359 1 1 1 LYS HE2 H 11.485 -0.192 -3.433 1.00 . A A . 1 LYS HE2 1 1 17 5360 1 1 1 LYS HE3 H 12.713 -0.637 -2.248 1.00 . A A . 1 LYS HE3 1 1 17 5361 1 1 1 LYS HG2 H 12.348 -1.357 -0.338 1.00 . A A . 1 LYS HG2 1 1 17 5362 1 1 1 LYS HG3 H 11.252 -2.739 -0.342 1.00 . A A . 1 LYS HG3 1 1 17 5363 1 1 1 LYS HZ1 H 11.874 -3.039 -2.965 1.00 . A A . 1 LYS HZ1 1 1 17 5364 1 1 1 LYS HZ2 H 13.125 -2.232 -3.767 1.00 . A A . 1 LYS HZ2 1 1 17 5365 1 1 1 LYS HZ3 H 11.560 -2.210 -4.408 1.00 . A A . 1 LYS HZ3 1 1 17 5366 1 1 1 LYS N N 10.591 -3.152 2.087 1.00 . A A . 1 LYS N 1 1 17 5367 1 1 1 LYS NZ N 12.114 -2.197 -3.527 1.00 . A A . 1 LYS NZ 1 1 17 5368 1 1 1 LYS O O 8.974 -3.289 -0.404 1.00 . A A . 1 LYS O 1 1 17 5369 1 1 2 VAL C C 5.660 -1.890 -0.687 1.00 . A A . 2 VAL C 1 1 17 5370 1 1 2 VAL CA C 6.277 -2.992 0.164 1.00 . A A . 2 VAL CA 1 1 17 5371 1 1 2 VAL CB C 5.172 -3.607 1.049 1.00 . A A . 2 VAL CB 1 1 17 5372 1 1 2 VAL CG1 C 4.499 -2.534 1.897 1.00 . A A . 2 VAL CG1 1 1 17 5373 1 1 2 VAL CG2 C 4.146 -4.335 0.193 1.00 . A A . 2 VAL CG2 1 1 17 5374 1 1 2 VAL H H 7.186 -1.986 1.789 1.00 . A A . 2 VAL H 1 1 17 5375 1 1 2 VAL HA H 6.661 -3.765 -0.485 1.00 . A A . 2 VAL HA 1 1 17 5376 1 1 2 VAL HB H 5.630 -4.324 1.715 1.00 . A A . 2 VAL HB 1 1 17 5377 1 1 2 VAL HG11 H 4.380 -2.895 2.908 1.00 . A A . 2 VAL HG11 1 1 17 5378 1 1 2 VAL HG12 H 3.528 -2.300 1.482 1.00 . A A . 2 VAL HG12 1 1 17 5379 1 1 2 VAL HG13 H 5.109 -1.641 1.904 1.00 . A A . 2 VAL HG13 1 1 17 5380 1 1 2 VAL HG21 H 4.579 -4.566 -0.769 1.00 . A A . 2 VAL HG21 1 1 17 5381 1 1 2 VAL HG22 H 3.279 -3.706 0.057 1.00 . A A . 2 VAL HG22 1 1 17 5382 1 1 2 VAL HG23 H 3.853 -5.251 0.685 1.00 . A A . 2 VAL HG23 1 1 17 5383 1 1 2 VAL N N 7.381 -2.484 0.967 1.00 . A A . 2 VAL N 1 1 17 5384 1 1 2 VAL O O 5.645 -0.724 -0.290 1.00 . A A . 2 VAL O 1 1 17 5385 1 1 3 GLY C C 3.355 -0.597 -2.019 1.00 . A A . 3 GLY C 1 1 17 5386 1 1 3 GLY CA C 4.507 -1.289 -2.715 1.00 . A A . 3 GLY CA 1 1 17 5387 1 1 3 GLY H H 5.161 -3.207 -2.110 1.00 . A A . 3 GLY H 1 1 17 5388 1 1 3 GLY HA2 H 5.240 -0.550 -3.006 1.00 . A A . 3 GLY HA2 1 1 17 5389 1 1 3 GLY HA3 H 4.136 -1.787 -3.599 1.00 . A A . 3 GLY HA3 1 1 17 5390 1 1 3 GLY N N 5.135 -2.264 -1.848 1.00 . A A . 3 GLY N 1 1 17 5391 1 1 3 GLY O O 2.237 -1.106 -2.005 1.00 . A A . 3 GLY O 1 1 17 5392 1 1 4 ARG C C 1.325 1.445 -1.473 1.00 . A A . 4 ARG C 1 1 17 5393 1 1 4 ARG CA C 2.624 1.303 -0.683 1.00 . A A . 4 ARG CA 1 1 17 5394 1 1 4 ARG CB C 3.155 2.684 -0.317 1.00 . A A . 4 ARG CB 1 1 17 5395 1 1 4 ARG CD C 3.298 4.450 1.459 1.00 . A A . 4 ARG CD 1 1 17 5396 1 1 4 ARG CG C 2.540 3.236 0.955 1.00 . A A . 4 ARG CG 1 1 17 5397 1 1 4 ARG CZ C 4.379 3.726 3.553 1.00 . A A . 4 ARG CZ 1 1 17 5398 1 1 4 ARG H H 4.554 0.890 -1.438 1.00 . A A . 4 ARG H 1 1 17 5399 1 1 4 ARG HA H 2.419 0.766 0.226 1.00 . A A . 4 ARG HA 1 1 17 5400 1 1 4 ARG HB2 H 4.225 2.624 -0.181 1.00 . A A . 4 ARG HB2 1 1 17 5401 1 1 4 ARG HB3 H 2.939 3.369 -1.123 1.00 . A A . 4 ARG HB3 1 1 17 5402 1 1 4 ARG HD2 H 4.276 4.460 1.003 1.00 . A A . 4 ARG HD2 1 1 17 5403 1 1 4 ARG HD3 H 2.758 5.339 1.171 1.00 . A A . 4 ARG HD3 1 1 17 5404 1 1 4 ARG HE H 2.835 4.987 3.437 1.00 . A A . 4 ARG HE 1 1 17 5405 1 1 4 ARG HG2 H 1.516 3.517 0.754 1.00 . A A . 4 ARG HG2 1 1 17 5406 1 1 4 ARG HG3 H 2.562 2.466 1.714 1.00 . A A . 4 ARG HG3 1 1 17 5407 1 1 4 ARG HH11 H 5.183 2.930 1.877 1.00 . A A . 4 ARG HH11 1 1 17 5408 1 1 4 ARG HH12 H 5.925 2.438 3.363 1.00 . A A . 4 ARG HH12 1 1 17 5409 1 1 4 ARG HH21 H 3.809 4.340 5.392 1.00 . A A . 4 ARG HH21 1 1 17 5410 1 1 4 ARG HH22 H 5.145 3.238 5.357 1.00 . A A . 4 ARG HH22 1 1 17 5411 1 1 4 ARG N N 3.636 0.550 -1.413 1.00 . A A . 4 ARG N 1 1 17 5412 1 1 4 ARG NE N 3.453 4.437 2.912 1.00 . A A . 4 ARG NE 1 1 17 5413 1 1 4 ARG NH1 N 5.233 2.969 2.874 1.00 . A A . 4 ARG NH1 1 1 17 5414 1 1 4 ARG NH2 N 4.450 3.772 4.875 1.00 . A A . 4 ARG NH2 1 1 17 5415 1 1 4 ARG O O 0.248 1.574 -0.891 1.00 . A A . 4 ARG O 1 1 17 5416 1 1 5 ASN C C -0.418 0.221 -3.918 1.00 . A A . 5 ASN C 1 1 17 5417 1 1 5 ASN CA C 0.254 1.570 -3.652 1.00 . A A . 5 ASN CA 1 1 17 5418 1 1 5 ASN CB C 0.641 2.229 -4.977 1.00 . A A . 5 ASN CB 1 1 17 5419 1 1 5 ASN CG C -0.546 2.866 -5.673 1.00 . A A . 5 ASN CG 1 1 17 5420 1 1 5 ASN H H 2.313 1.331 -3.207 1.00 . A A . 5 ASN H 1 1 17 5421 1 1 5 ASN HA H -0.446 2.210 -3.137 1.00 . A A . 5 ASN HA 1 1 17 5422 1 1 5 ASN HB2 H 1.379 2.994 -4.790 1.00 . A A . 5 ASN HB2 1 1 17 5423 1 1 5 ASN HB3 H 1.061 1.481 -5.634 1.00 . A A . 5 ASN HB3 1 1 17 5424 1 1 5 ASN HD21 H -0.379 4.483 -4.529 1.00 . A A . 5 ASN HD21 1 1 17 5425 1 1 5 ASN HD22 H -1.662 4.512 -5.687 1.00 . A A . 5 ASN HD22 1 1 17 5426 1 1 5 ASN N N 1.429 1.429 -2.796 1.00 . A A . 5 ASN N 1 1 17 5427 1 1 5 ASN ND2 N -0.898 4.076 -5.254 1.00 . A A . 5 ASN ND2 1 1 17 5428 1 1 5 ASN O O -1.413 0.149 -4.640 1.00 . A A . 5 ASN O 1 1 17 5429 1 1 5 ASN OD1 O -1.139 2.279 -6.578 1.00 . A A . 5 ASN OD1 1 1 17 5430 1 1 6 ASP C C -1.279 -2.580 -2.324 1.00 . A A . 6 ASP C 1 1 17 5431 1 1 6 ASP CA C -0.417 -2.183 -3.522 1.00 . A A . 6 ASP CA 1 1 17 5432 1 1 6 ASP CB C 0.725 -3.190 -3.711 1.00 . A A . 6 ASP CB 1 1 17 5433 1 1 6 ASP CG C 0.247 -4.630 -3.726 1.00 . A A . 6 ASP CG 1 1 17 5434 1 1 6 ASP H H 0.920 -0.728 -2.777 1.00 . A A . 6 ASP H 1 1 17 5435 1 1 6 ASP HA H -1.032 -2.175 -4.409 1.00 . A A . 6 ASP HA 1 1 17 5436 1 1 6 ASP HB2 H 1.220 -2.988 -4.649 1.00 . A A . 6 ASP HB2 1 1 17 5437 1 1 6 ASP HB3 H 1.434 -3.074 -2.905 1.00 . A A . 6 ASP HB3 1 1 17 5438 1 1 6 ASP N N 0.129 -0.844 -3.341 1.00 . A A . 6 ASP N 1 1 17 5439 1 1 6 ASP O O -0.985 -2.205 -1.190 1.00 . A A . 6 ASP O 1 1 17 5440 1 1 6 ASP OD1 O -0.079 -5.159 -2.642 1.00 . A A . 6 ASP OD1 1 1 17 5441 1 1 6 ASP OD2 O 0.200 -5.229 -4.821 1.00 . A A . 6 ASP OD2 1 1 17 5442 1 1 7 PRO C C -2.515 -4.266 -0.258 1.00 . A A . 7 PRO C 1 1 17 5443 1 1 7 PRO CA C -3.262 -3.801 -1.504 1.00 . A A . 7 PRO CA 1 1 17 5444 1 1 7 PRO CB C -4.025 -4.973 -2.149 1.00 . A A . 7 PRO CB 1 1 17 5445 1 1 7 PRO CD C -2.787 -3.846 -3.870 1.00 . A A . 7 PRO CD 1 1 17 5446 1 1 7 PRO CG C -3.437 -5.151 -3.515 1.00 . A A . 7 PRO CG 1 1 17 5447 1 1 7 PRO HA H -3.961 -3.024 -1.230 1.00 . A A . 7 PRO HA 1 1 17 5448 1 1 7 PRO HB2 H -3.894 -5.860 -1.548 1.00 . A A . 7 PRO HB2 1 1 17 5449 1 1 7 PRO HB3 H -5.076 -4.727 -2.205 1.00 . A A . 7 PRO HB3 1 1 17 5450 1 1 7 PRO HD2 H -1.945 -4.004 -4.526 1.00 . A A . 7 PRO HD2 1 1 17 5451 1 1 7 PRO HD3 H -3.503 -3.176 -4.323 1.00 . A A . 7 PRO HD3 1 1 17 5452 1 1 7 PRO HG2 H -2.700 -5.941 -3.496 1.00 . A A . 7 PRO HG2 1 1 17 5453 1 1 7 PRO HG3 H -4.219 -5.385 -4.223 1.00 . A A . 7 PRO HG3 1 1 17 5454 1 1 7 PRO N N -2.358 -3.349 -2.561 1.00 . A A . 7 PRO N 1 1 17 5455 1 1 7 PRO O O -1.718 -5.203 -0.312 1.00 . A A . 7 PRO O 1 1 17 5456 1 1 8 CYS C C -2.000 -5.431 2.334 1.00 . A A . 8 CYS C 1 1 17 5457 1 1 8 CYS CA C -2.149 -3.919 2.143 1.00 . A A . 8 CYS CA 1 1 17 5458 1 1 8 CYS CB C -2.972 -3.332 3.291 1.00 . A A . 8 CYS CB 1 1 17 5459 1 1 8 CYS H H -3.427 -2.860 0.827 1.00 . A A . 8 CYS H 1 1 17 5460 1 1 8 CYS HA H -1.171 -3.467 2.147 1.00 . A A . 8 CYS HA 1 1 17 5461 1 1 8 CYS HB2 H -3.439 -2.418 2.958 1.00 . A A . 8 CYS HB2 1 1 17 5462 1 1 8 CYS HB3 H -3.740 -4.039 3.572 1.00 . A A . 8 CYS HB3 1 1 17 5463 1 1 8 CYS N N -2.784 -3.598 0.863 1.00 . A A . 8 CYS N 1 1 17 5464 1 1 8 CYS O O -2.931 -6.192 2.067 1.00 . A A . 8 CYS O 1 1 17 5465 1 1 8 CYS SG S -2.012 -2.945 4.772 1.00 . A A . 8 CYS SG 1 1 17 5466 1 1 9 PRO C C -1.485 -7.925 4.068 1.00 . A A . 9 PRO C 1 1 17 5467 1 1 9 PRO CA C -0.558 -7.314 3.021 1.00 . A A . 9 PRO CA 1 1 17 5468 1 1 9 PRO CB C 0.895 -7.347 3.510 1.00 . A A . 9 PRO CB 1 1 17 5469 1 1 9 PRO CD C 0.346 -5.054 3.142 1.00 . A A . 9 PRO CD 1 1 17 5470 1 1 9 PRO CG C 1.170 -5.968 4.001 1.00 . A A . 9 PRO CG 1 1 17 5471 1 1 9 PRO HA H -0.642 -7.876 2.102 1.00 . A A . 9 PRO HA 1 1 17 5472 1 1 9 PRO HB2 H 0.994 -8.074 4.303 1.00 . A A . 9 PRO HB2 1 1 17 5473 1 1 9 PRO HB3 H 1.547 -7.610 2.691 1.00 . A A . 9 PRO HB3 1 1 17 5474 1 1 9 PRO HD2 H 0.048 -4.179 3.698 1.00 . A A . 9 PRO HD2 1 1 17 5475 1 1 9 PRO HD3 H 0.893 -4.773 2.254 1.00 . A A . 9 PRO HD3 1 1 17 5476 1 1 9 PRO HG2 H 0.874 -5.879 5.036 1.00 . A A . 9 PRO HG2 1 1 17 5477 1 1 9 PRO HG3 H 2.220 -5.740 3.889 1.00 . A A . 9 PRO HG3 1 1 17 5478 1 1 9 PRO N N -0.821 -5.887 2.799 1.00 . A A . 9 PRO N 1 1 17 5479 1 1 9 PRO O O -1.695 -9.138 4.092 1.00 . A A . 9 PRO O 1 1 17 5480 1 1 10 CYS C C -4.119 -8.313 5.390 1.00 . A A . 10 CYS C 1 1 17 5481 1 1 10 CYS CA C -2.939 -7.548 5.985 1.00 . A A . 10 CYS CA 1 1 17 5482 1 1 10 CYS CB C -3.446 -6.367 6.818 1.00 . A A . 10 CYS CB 1 1 17 5483 1 1 10 CYS H H -1.833 -6.126 4.872 1.00 . A A . 10 CYS H 1 1 17 5484 1 1 10 CYS HA H -2.382 -8.215 6.626 1.00 . A A . 10 CYS HA 1 1 17 5485 1 1 10 CYS HB2 H -3.999 -6.745 7.665 1.00 . A A . 10 CYS HB2 1 1 17 5486 1 1 10 CYS HB3 H -2.598 -5.799 7.174 1.00 . A A . 10 CYS HB3 1 1 17 5487 1 1 10 CYS N N -2.037 -7.082 4.936 1.00 . A A . 10 CYS N 1 1 17 5488 1 1 10 CYS O O -4.660 -9.224 6.017 1.00 . A A . 10 CYS O 1 1 17 5489 1 1 10 CYS SG S -4.531 -5.233 5.918 1.00 . A A . 10 CYS SG 1 1 17 5490 1 1 11 GLY C C -6.963 -7.998 3.897 1.00 . A A . 11 GLY C 1 1 17 5491 1 1 11 GLY CA C -5.623 -8.597 3.519 1.00 . A A . 11 GLY CA 1 1 17 5492 1 1 11 GLY H H -4.042 -7.204 3.726 1.00 . A A . 11 GLY H 1 1 17 5493 1 1 11 GLY HA2 H -5.493 -8.515 2.450 1.00 . A A . 11 GLY HA2 1 1 17 5494 1 1 11 GLY HA3 H -5.618 -9.642 3.792 1.00 . A A . 11 GLY HA3 1 1 17 5495 1 1 11 GLY N N -4.512 -7.936 4.177 1.00 . A A . 11 GLY N 1 1 17 5496 1 1 11 GLY O O -7.957 -8.712 4.022 1.00 . A A . 11 GLY O 1 1 17 5497 1 1 12 SER C C -8.983 -5.541 3.204 1.00 . A A . 12 SER C 1 1 17 5498 1 1 12 SER CA C -8.219 -5.986 4.446 1.00 . A A . 12 SER CA 1 1 17 5499 1 1 12 SER CB C -7.902 -4.776 5.326 1.00 . A A . 12 SER CB 1 1 17 5500 1 1 12 SER H H -6.165 -6.166 3.965 1.00 . A A . 12 SER H 1 1 17 5501 1 1 12 SER HA H -8.834 -6.675 5.005 1.00 . A A . 12 SER HA 1 1 17 5502 1 1 12 SER HB2 H -6.931 -4.385 5.061 1.00 . A A . 12 SER HB2 1 1 17 5503 1 1 12 SER HB3 H -8.651 -4.013 5.168 1.00 . A A . 12 SER HB3 1 1 17 5504 1 1 12 SER HG H -8.669 -5.655 6.899 1.00 . A A . 12 SER HG 1 1 17 5505 1 1 12 SER N N -6.990 -6.681 4.080 1.00 . A A . 12 SER N 1 1 17 5506 1 1 12 SER O O -10.188 -5.764 3.091 1.00 . A A . 12 SER O 1 1 17 5507 1 1 12 SER OG O -7.892 -5.130 6.697 1.00 . A A . 12 SER OG 1 1 17 5508 1 1 13 GLY C C -8.318 -3.130 0.567 1.00 . A A . 13 GLY C 1 1 17 5509 1 1 13 GLY CA C -8.901 -4.442 1.051 1.00 . A A . 13 GLY CA 1 1 17 5510 1 1 13 GLY H H -7.316 -4.760 2.419 1.00 . A A . 13 GLY H 1 1 17 5511 1 1 13 GLY HA2 H -8.768 -5.189 0.283 1.00 . A A . 13 GLY HA2 1 1 17 5512 1 1 13 GLY HA3 H -9.958 -4.310 1.230 1.00 . A A . 13 GLY HA3 1 1 17 5513 1 1 13 GLY N N -8.273 -4.909 2.273 1.00 . A A . 13 GLY N 1 1 17 5514 1 1 13 GLY O O -8.322 -2.845 -0.631 1.00 . A A . 13 GLY O 1 1 17 5515 1 1 14 LYS C C -5.720 -1.167 0.954 1.00 . A A . 14 LYS C 1 1 17 5516 1 1 14 LYS CA C -7.225 -1.038 1.163 1.00 . A A . 14 LYS CA 1 1 17 5517 1 1 14 LYS CB C -7.509 -0.019 2.268 1.00 . A A . 14 LYS CB 1 1 17 5518 1 1 14 LYS CD C -9.140 1.839 2.728 1.00 . A A . 14 LYS CD 1 1 17 5519 1 1 14 LYS CE C -10.160 2.035 3.839 1.00 . A A . 14 LYS CE 1 1 17 5520 1 1 14 LYS CG C -8.975 0.369 2.375 1.00 . A A . 14 LYS CG 1 1 17 5521 1 1 14 LYS H H -7.841 -2.611 2.438 1.00 . A A . 14 LYS H 1 1 17 5522 1 1 14 LYS HA H -7.676 -0.696 0.244 1.00 . A A . 14 LYS HA 1 1 17 5523 1 1 14 LYS HB2 H -7.199 -0.437 3.216 1.00 . A A . 14 LYS HB2 1 1 17 5524 1 1 14 LYS HB3 H -6.936 0.875 2.074 1.00 . A A . 14 LYS HB3 1 1 17 5525 1 1 14 LYS HD2 H -8.189 2.231 3.055 1.00 . A A . 14 LYS HD2 1 1 17 5526 1 1 14 LYS HD3 H -9.471 2.375 1.850 1.00 . A A . 14 LYS HD3 1 1 17 5527 1 1 14 LYS HE2 H -9.922 1.365 4.652 1.00 . A A . 14 LYS HE2 1 1 17 5528 1 1 14 LYS HE3 H -10.103 3.056 4.187 1.00 . A A . 14 LYS HE3 1 1 17 5529 1 1 14 LYS HG2 H -9.457 0.182 1.427 1.00 . A A . 14 LYS HG2 1 1 17 5530 1 1 14 LYS HG3 H -9.442 -0.232 3.142 1.00 . A A . 14 LYS HG3 1 1 17 5531 1 1 14 LYS HZ1 H -11.631 1.957 2.358 1.00 . A A . 14 LYS HZ1 1 1 17 5532 1 1 14 LYS HZ2 H -12.224 2.356 3.891 1.00 . A A . 14 LYS HZ2 1 1 17 5533 1 1 14 LYS HZ3 H -11.788 0.759 3.543 1.00 . A A . 14 LYS HZ3 1 1 17 5534 1 1 14 LYS N N -7.815 -2.328 1.500 1.00 . A A . 14 LYS N 1 1 17 5535 1 1 14 LYS NZ N -11.548 1.758 3.375 1.00 . A A . 14 LYS NZ 1 1 17 5536 1 1 14 LYS O O -5.077 -2.043 1.530 1.00 . A A . 14 LYS O 1 1 17 5537 1 1 15 LYS C C -2.944 0.209 1.053 1.00 . A A . 15 LYS C 1 1 17 5538 1 1 15 LYS CA C -3.731 -0.302 -0.149 1.00 . A A . 15 LYS CA 1 1 17 5539 1 1 15 LYS CB C -3.414 0.547 -1.384 1.00 . A A . 15 LYS CB 1 1 17 5540 1 1 15 LYS CD C -4.942 2.135 -2.596 1.00 . A A . 15 LYS CD 1 1 17 5541 1 1 15 LYS CE C -6.326 1.536 -2.411 1.00 . A A . 15 LYS CE 1 1 17 5542 1 1 15 LYS CG C -4.071 1.918 -1.369 1.00 . A A . 15 LYS CG 1 1 17 5543 1 1 15 LYS H H -5.728 0.389 -0.299 1.00 . A A . 15 LYS H 1 1 17 5544 1 1 15 LYS HA H -3.445 -1.323 -0.345 1.00 . A A . 15 LYS HA 1 1 17 5545 1 1 15 LYS HB2 H -2.345 0.684 -1.445 1.00 . A A . 15 LYS HB2 1 1 17 5546 1 1 15 LYS HB3 H -3.751 0.019 -2.263 1.00 . A A . 15 LYS HB3 1 1 17 5547 1 1 15 LYS HD2 H -5.040 3.196 -2.772 1.00 . A A . 15 LYS HD2 1 1 17 5548 1 1 15 LYS HD3 H -4.468 1.669 -3.448 1.00 . A A . 15 LYS HD3 1 1 17 5549 1 1 15 LYS HE2 H -6.231 0.464 -2.319 1.00 . A A . 15 LYS HE2 1 1 17 5550 1 1 15 LYS HE3 H -6.760 1.937 -1.508 1.00 . A A . 15 LYS HE3 1 1 17 5551 1 1 15 LYS HG2 H -4.684 2.003 -0.485 1.00 . A A . 15 LYS HG2 1 1 17 5552 1 1 15 LYS HG3 H -3.300 2.673 -1.347 1.00 . A A . 15 LYS HG3 1 1 17 5553 1 1 15 LYS HZ1 H -7.471 2.855 -3.557 1.00 . A A . 15 LYS HZ1 1 1 17 5554 1 1 15 LYS HZ2 H -8.098 1.285 -3.490 1.00 . A A . 15 LYS HZ2 1 1 17 5555 1 1 15 LYS HZ3 H -6.749 1.616 -4.455 1.00 . A A . 15 LYS HZ3 1 1 17 5556 1 1 15 LYS N N -5.163 -0.287 0.129 1.00 . A A . 15 LYS N 1 1 17 5557 1 1 15 LYS NZ N -7.224 1.844 -3.559 1.00 . A A . 15 LYS NZ 1 1 17 5558 1 1 15 LYS O O -3.501 0.841 1.949 1.00 . A A . 15 LYS O 1 1 17 5559 1 1 16 TYR C C -1.007 1.812 2.539 1.00 . A A . 16 TYR C 1 1 17 5560 1 1 16 TYR CA C -0.771 0.348 2.160 1.00 . A A . 16 TYR CA 1 1 17 5561 1 1 16 TYR CB C 0.691 0.148 1.758 1.00 . A A . 16 TYR CB 1 1 17 5562 1 1 16 TYR CD1 C 1.063 -1.471 3.668 1.00 . A A . 16 TYR CD1 1 1 17 5563 1 1 16 TYR CD2 C 2.873 -0.064 3.009 1.00 . A A . 16 TYR CD2 1 1 17 5564 1 1 16 TYR CE1 C 1.855 -2.036 4.650 1.00 . A A . 16 TYR CE1 1 1 17 5565 1 1 16 TYR CE2 C 3.669 -0.624 3.989 1.00 . A A . 16 TYR CE2 1 1 17 5566 1 1 16 TYR CG C 1.557 -0.476 2.832 1.00 . A A . 16 TYR CG 1 1 17 5567 1 1 16 TYR CZ C 3.157 -1.610 4.806 1.00 . A A . 16 TYR CZ 1 1 17 5568 1 1 16 TYR H H -1.259 -0.586 0.324 1.00 . A A . 16 TYR H 1 1 17 5569 1 1 16 TYR HA H -0.988 -0.271 3.015 1.00 . A A . 16 TYR HA 1 1 17 5570 1 1 16 TYR HB2 H 0.732 -0.493 0.890 1.00 . A A . 16 TYR HB2 1 1 17 5571 1 1 16 TYR HB3 H 1.117 1.108 1.507 1.00 . A A . 16 TYR HB3 1 1 17 5572 1 1 16 TYR HD1 H 0.045 -1.805 3.542 1.00 . A A . 16 TYR HD1 1 1 17 5573 1 1 16 TYR HD2 H 3.274 0.705 2.362 1.00 . A A . 16 TYR HD2 1 1 17 5574 1 1 16 TYR HE1 H 1.452 -2.808 5.288 1.00 . A A . 16 TYR HE1 1 1 17 5575 1 1 16 TYR HE2 H 4.689 -0.291 4.110 1.00 . A A . 16 TYR HE2 1 1 17 5576 1 1 16 TYR HH H 4.206 -1.492 6.413 1.00 . A A . 16 TYR HH 1 1 17 5577 1 1 16 TYR N N -1.645 -0.074 1.067 1.00 . A A . 16 TYR N 1 1 17 5578 1 1 16 TYR O O -1.372 2.118 3.674 1.00 . A A . 16 TYR O 1 1 17 5579 1 1 16 TYR OH O 3.947 -2.169 5.783 1.00 . A A . 16 TYR OH 1 1 17 5580 1 1 17 LYS C C -2.303 4.460 2.466 1.00 . A A . 17 LYS C 1 1 17 5581 1 1 17 LYS CA C -0.957 4.145 1.815 1.00 . A A . 17 LYS CA 1 1 17 5582 1 1 17 LYS CB C -0.833 4.912 0.496 1.00 . A A . 17 LYS CB 1 1 17 5583 1 1 17 LYS CD C -2.422 5.770 -1.254 1.00 . A A . 17 LYS CD 1 1 17 5584 1 1 17 LYS CE C -3.098 5.394 -2.562 1.00 . A A . 17 LYS CE 1 1 17 5585 1 1 17 LYS CG C -1.897 4.544 -0.524 1.00 . A A . 17 LYS CG 1 1 17 5586 1 1 17 LYS H H -0.485 2.405 0.702 1.00 . A A . 17 LYS H 1 1 17 5587 1 1 17 LYS HA H -0.169 4.467 2.479 1.00 . A A . 17 LYS HA 1 1 17 5588 1 1 17 LYS HB2 H -0.911 5.970 0.701 1.00 . A A . 17 LYS HB2 1 1 17 5589 1 1 17 LYS HB3 H 0.136 4.710 0.064 1.00 . A A . 17 LYS HB3 1 1 17 5590 1 1 17 LYS HD2 H -3.139 6.274 -0.622 1.00 . A A . 17 LYS HD2 1 1 17 5591 1 1 17 LYS HD3 H -1.595 6.434 -1.462 1.00 . A A . 17 LYS HD3 1 1 17 5592 1 1 17 LYS HE2 H -2.371 5.456 -3.358 1.00 . A A . 17 LYS HE2 1 1 17 5593 1 1 17 LYS HE3 H -3.462 4.380 -2.486 1.00 . A A . 17 LYS HE3 1 1 17 5594 1 1 17 LYS HG2 H -1.469 3.865 -1.246 1.00 . A A . 17 LYS HG2 1 1 17 5595 1 1 17 LYS HG3 H -2.718 4.060 -0.015 1.00 . A A . 17 LYS HG3 1 1 17 5596 1 1 17 LYS HZ1 H -3.908 7.279 -2.954 1.00 . A A . 17 LYS HZ1 1 1 17 5597 1 1 17 LYS HZ2 H -4.957 6.241 -2.128 1.00 . A A . 17 LYS HZ2 1 1 17 5598 1 1 17 LYS HZ3 H -4.676 6.018 -3.781 1.00 . A A . 17 LYS HZ3 1 1 17 5599 1 1 17 LYS N N -0.784 2.711 1.584 1.00 . A A . 17 LYS N 1 1 17 5600 1 1 17 LYS NZ N -4.239 6.296 -2.878 1.00 . A A . 17 LYS NZ 1 1 17 5601 1 1 17 LYS O O -2.445 5.470 3.155 1.00 . A A . 17 LYS O 1 1 17 5602 1 1 18 GLN C C -4.776 3.083 4.136 1.00 . A A . 18 GLN C 1 1 17 5603 1 1 18 GLN CA C -4.620 3.798 2.803 1.00 . A A . 18 GLN CA 1 1 17 5604 1 1 18 GLN CB C -5.684 3.282 1.836 1.00 . A A . 18 GLN CB 1 1 17 5605 1 1 18 GLN CD C -6.505 5.293 0.547 1.00 . A A . 18 GLN CD 1 1 17 5606 1 1 18 GLN CG C -5.701 4.008 0.501 1.00 . A A . 18 GLN CG 1 1 17 5607 1 1 18 GLN H H -3.119 2.813 1.678 1.00 . A A . 18 GLN H 1 1 17 5608 1 1 18 GLN HA H -4.765 4.857 2.952 1.00 . A A . 18 GLN HA 1 1 17 5609 1 1 18 GLN HB2 H -5.505 2.230 1.653 1.00 . A A . 18 GLN HB2 1 1 17 5610 1 1 18 GLN HB3 H -6.655 3.395 2.296 1.00 . A A . 18 GLN HB3 1 1 17 5611 1 1 18 GLN HE21 H -4.951 6.269 1.310 1.00 . A A . 18 GLN HE21 1 1 17 5612 1 1 18 GLN HE22 H -6.379 7.209 1.062 1.00 . A A . 18 GLN HE22 1 1 17 5613 1 1 18 GLN HG2 H -4.685 4.248 0.223 1.00 . A A . 18 GLN HG2 1 1 17 5614 1 1 18 GLN HG3 H -6.132 3.356 -0.244 1.00 . A A . 18 GLN HG3 1 1 17 5615 1 1 18 GLN N N -3.288 3.598 2.240 1.00 . A A . 18 GLN N 1 1 17 5616 1 1 18 GLN NE2 N -5.882 6.365 1.021 1.00 . A A . 18 GLN NE2 1 1 17 5617 1 1 18 GLN O O -5.355 3.620 5.081 1.00 . A A . 18 GLN O 1 1 17 5618 1 1 18 GLN OE1 O -7.674 5.321 0.162 1.00 . A A . 18 GLN OE1 1 1 17 5619 1 1 19 CYS C C -3.168 1.211 6.308 1.00 . A A . 19 CYS C 1 1 17 5620 1 1 19 CYS CA C -4.393 1.043 5.395 1.00 . A A . 19 CYS CA 1 1 17 5621 1 1 19 CYS CB C -4.605 -0.415 4.985 1.00 . A A . 19 CYS CB 1 1 17 5622 1 1 19 CYS H H -3.854 1.476 3.399 1.00 . A A . 19 CYS H 1 1 17 5623 1 1 19 CYS HA H -5.266 1.379 5.934 1.00 . A A . 19 CYS HA 1 1 17 5624 1 1 19 CYS HB2 H -5.290 -0.441 4.147 1.00 . A A . 19 CYS HB2 1 1 17 5625 1 1 19 CYS HB3 H -3.660 -0.839 4.680 1.00 . A A . 19 CYS HB3 1 1 17 5626 1 1 19 CYS N N -4.284 1.854 4.194 1.00 . A A . 19 CYS N 1 1 17 5627 1 1 19 CYS O O -2.881 2.320 6.760 1.00 . A A . 19 CYS O 1 1 17 5628 1 1 19 CYS SG S -5.291 -1.463 6.290 1.00 . A A . 19 CYS SG 1 1 17 5629 1 1 20 HIS C C -0.219 1.118 6.904 1.00 . A A . 20 HIS C 1 1 17 5630 1 1 20 HIS CA C -1.283 0.177 7.461 1.00 . A A . 20 HIS CA 1 1 17 5631 1 1 20 HIS CB C -0.693 -1.221 7.651 1.00 . A A . 20 HIS CB 1 1 17 5632 1 1 20 HIS CD2 C -1.409 -2.169 9.943 1.00 . A A . 20 HIS CD2 1 1 17 5633 1 1 20 HIS CE1 C -2.937 -3.538 9.210 1.00 . A A . 20 HIS CE1 1 1 17 5634 1 1 20 HIS CG C -1.481 -2.080 8.592 1.00 . A A . 20 HIS CG 1 1 17 5635 1 1 20 HIS H H -2.724 -0.743 6.220 1.00 . A A . 20 HIS H 1 1 17 5636 1 1 20 HIS HA H -1.605 0.552 8.421 1.00 . A A . 20 HIS HA 1 1 17 5637 1 1 20 HIS HB2 H -0.656 -1.721 6.696 1.00 . A A . 20 HIS HB2 1 1 17 5638 1 1 20 HIS HB3 H 0.310 -1.130 8.043 1.00 . A A . 20 HIS HB3 1 1 17 5639 1 1 20 HIS HD2 H -0.749 -1.614 10.594 1.00 . A A . 20 HIS HD2 1 1 17 5640 1 1 20 HIS HE1 H -3.721 -4.281 9.189 1.00 . A A . 20 HIS HE1 1 1 17 5641 1 1 20 HIS HE2 H -2.649 -3.256 11.246 1.00 . A A . 20 HIS HE2 1 1 17 5642 1 1 20 HIS N N -2.455 0.119 6.591 1.00 . A A . 20 HIS N 1 1 17 5643 1 1 20 HIS ND1 N -2.446 -2.945 8.135 1.00 . A A . 20 HIS ND1 1 1 17 5644 1 1 20 HIS NE2 N -2.340 -3.100 10.328 1.00 . A A . 20 HIS NE2 1 1 17 5645 1 1 20 HIS O O 0.348 1.930 7.636 1.00 . A A . 20 HIS O 1 1 17 5646 1 1 21 GLY C C 0.851 3.323 5.275 1.00 . A A . 21 GLY C 1 1 17 5647 1 1 21 GLY CA C 1.057 1.848 4.982 1.00 . A A . 21 GLY CA 1 1 17 5648 1 1 21 GLY H H -0.425 0.337 5.073 1.00 . A A . 21 GLY H 1 1 17 5649 1 1 21 GLY HA2 H 2.032 1.556 5.343 1.00 . A A . 21 GLY HA2 1 1 17 5650 1 1 21 GLY HA3 H 1.023 1.697 3.914 1.00 . A A . 21 GLY HA3 1 1 17 5651 1 1 21 GLY N N 0.054 1.003 5.608 1.00 . A A . 21 GLY N 1 1 17 5652 1 1 21 GLY O O 1.800 4.106 5.241 1.00 . A A . 21 GLY O 1 1 17 5653 1 1 22 ARG C C -0.061 5.533 7.171 1.00 . A A . 22 ARG C 1 1 17 5654 1 1 22 ARG CA C -0.710 5.095 5.862 1.00 . A A . 22 ARG CA 1 1 17 5655 1 1 22 ARG CB C -2.226 5.286 5.942 1.00 . A A . 22 ARG CB 1 1 17 5656 1 1 22 ARG CD C -3.435 7.302 6.838 1.00 . A A . 22 ARG CD 1 1 17 5657 1 1 22 ARG CG C -2.674 6.712 5.662 1.00 . A A . 22 ARG CG 1 1 17 5658 1 1 22 ARG CZ C -5.467 8.659 7.163 1.00 . A A . 22 ARG CZ 1 1 17 5659 1 1 22 ARG H H -1.105 3.034 5.574 1.00 . A A . 22 ARG H 1 1 17 5660 1 1 22 ARG HA H -0.321 5.704 5.059 1.00 . A A . 22 ARG HA 1 1 17 5661 1 1 22 ARG HB2 H -2.697 4.635 5.221 1.00 . A A . 22 ARG HB2 1 1 17 5662 1 1 22 ARG HB3 H -2.560 5.013 6.932 1.00 . A A . 22 ARG HB3 1 1 17 5663 1 1 22 ARG HD2 H -3.923 6.502 7.373 1.00 . A A . 22 ARG HD2 1 1 17 5664 1 1 22 ARG HD3 H -2.733 7.797 7.493 1.00 . A A . 22 ARG HD3 1 1 17 5665 1 1 22 ARG HE H -4.354 8.644 5.506 1.00 . A A . 22 ARG HE 1 1 17 5666 1 1 22 ARG HG2 H -1.804 7.321 5.469 1.00 . A A . 22 ARG HG2 1 1 17 5667 1 1 22 ARG HG3 H -3.315 6.713 4.792 1.00 . A A . 22 ARG HG3 1 1 17 5668 1 1 22 ARG HH11 H -4.964 7.508 8.749 1.00 . A A . 22 ARG HH11 1 1 17 5669 1 1 22 ARG HH12 H -6.390 8.470 8.952 1.00 . A A . 22 ARG HH12 1 1 17 5670 1 1 22 ARG HH21 H -6.229 9.909 5.771 1.00 . A A . 22 ARG HH21 1 1 17 5671 1 1 22 ARG HH22 H -7.109 9.833 7.262 1.00 . A A . 22 ARG HH22 1 1 17 5672 1 1 22 ARG N N -0.389 3.703 5.563 1.00 . A A . 22 ARG N 1 1 17 5673 1 1 22 ARG NE N -4.444 8.267 6.407 1.00 . A A . 22 ARG NE 1 1 17 5674 1 1 22 ARG NH1 N -5.620 8.172 8.389 1.00 . A A . 22 ARG NH1 1 1 17 5675 1 1 22 ARG NH2 N -6.339 9.540 6.694 1.00 . A A . 22 ARG NH2 1 1 17 5676 1 1 22 ARG O O 0.851 6.385 7.122 1.00 . A A . 22 ARG O 1 1 17 5677 1 1 22 ARG OXT O -0.472 5.023 8.234 1.00 . A A . 22 ARG OXT 1 1 17 5678 2 2 1 ZN ZN ZN -3.631 -3.127 6.475 1.00 . B A . 23 ZN ZN 1 1 18 5679 1 1 1 LYS C C 8.885 -2.350 0.896 1.00 . A A . 1 LYS C 1 1 18 5680 1 1 1 LYS CA C 9.898 -1.684 1.823 1.00 . A A . 1 LYS CA 1 1 18 5681 1 1 1 LYS CB C 11.118 -2.588 2.005 1.00 . A A . 1 LYS CB 1 1 18 5682 1 1 1 LYS CD C 13.606 -2.255 2.138 1.00 . A A . 1 LYS CD 1 1 18 5683 1 1 1 LYS CE C 14.156 -3.570 2.666 1.00 . A A . 1 LYS CE 1 1 18 5684 1 1 1 LYS CG C 12.258 -1.924 2.760 1.00 . A A . 1 LYS CG 1 1 18 5685 1 1 1 LYS H1 H 8.794 -2.265 3.458 1.00 . A A . 1 LYS H1 1 1 18 5686 1 1 1 LYS H2 H 8.662 -0.600 3.060 1.00 . A A . 1 LYS H2 1 1 18 5687 1 1 1 LYS H3 H 10.086 -1.196 3.812 1.00 . A A . 1 LYS H3 1 1 18 5688 1 1 1 LYS HA H 10.210 -0.747 1.387 1.00 . A A . 1 LYS HA 1 1 18 5689 1 1 1 LYS HB2 H 10.820 -3.470 2.551 1.00 . A A . 1 LYS HB2 1 1 18 5690 1 1 1 LYS HB3 H 11.482 -2.883 1.032 1.00 . A A . 1 LYS HB3 1 1 18 5691 1 1 1 LYS HD2 H 13.489 -2.329 1.067 1.00 . A A . 1 LYS HD2 1 1 18 5692 1 1 1 LYS HD3 H 14.303 -1.463 2.372 1.00 . A A . 1 LYS HD3 1 1 18 5693 1 1 1 LYS HE2 H 13.349 -4.129 3.114 1.00 . A A . 1 LYS HE2 1 1 18 5694 1 1 1 LYS HE3 H 14.567 -4.130 1.839 1.00 . A A . 1 LYS HE3 1 1 18 5695 1 1 1 LYS HG2 H 12.116 -0.853 2.738 1.00 . A A . 1 LYS HG2 1 1 18 5696 1 1 1 LYS HG3 H 12.249 -2.269 3.783 1.00 . A A . 1 LYS HG3 1 1 18 5697 1 1 1 LYS HZ1 H 15.657 -2.422 3.557 1.00 . A A . 1 LYS HZ1 1 1 18 5698 1 1 1 LYS HZ2 H 15.958 -4.085 3.589 1.00 . A A . 1 LYS HZ2 1 1 18 5699 1 1 1 LYS HZ3 H 14.817 -3.412 4.641 1.00 . A A . 1 LYS HZ3 1 1 18 5700 1 1 1 LYS N N 9.307 -1.412 3.159 1.00 . A A . 1 LYS N 1 1 18 5701 1 1 1 LYS NZ N 15.221 -3.357 3.685 1.00 . A A . 1 LYS NZ 1 1 18 5702 1 1 1 LYS O O 9.234 -3.231 0.110 1.00 . A A . 1 LYS O 1 1 18 5703 1 1 2 VAL C C 5.959 -1.413 -0.737 1.00 . A A . 2 VAL C 1 1 18 5704 1 1 2 VAL CA C 6.568 -2.479 0.165 1.00 . A A . 2 VAL CA 1 1 18 5705 1 1 2 VAL CB C 5.442 -3.093 1.023 1.00 . A A . 2 VAL CB 1 1 18 5706 1 1 2 VAL CG1 C 4.768 -2.024 1.872 1.00 . A A . 2 VAL CG1 1 1 18 5707 1 1 2 VAL CG2 C 4.422 -3.800 0.142 1.00 . A A . 2 VAL CG2 1 1 18 5708 1 1 2 VAL H H 7.414 -1.219 1.639 1.00 . A A . 2 VAL H 1 1 18 5709 1 1 2 VAL HA H 6.993 -3.259 -0.449 1.00 . A A . 2 VAL HA 1 1 18 5710 1 1 2 VAL HB H 5.881 -3.825 1.687 1.00 . A A . 2 VAL HB 1 1 18 5711 1 1 2 VAL HG11 H 4.508 -1.178 1.248 1.00 . A A . 2 VAL HG11 1 1 18 5712 1 1 2 VAL HG12 H 5.444 -1.702 2.650 1.00 . A A . 2 VAL HG12 1 1 18 5713 1 1 2 VAL HG13 H 3.872 -2.430 2.317 1.00 . A A . 2 VAL HG13 1 1 18 5714 1 1 2 VAL HG21 H 4.910 -4.177 -0.745 1.00 . A A . 2 VAL HG21 1 1 18 5715 1 1 2 VAL HG22 H 3.647 -3.101 -0.144 1.00 . A A . 2 VAL HG22 1 1 18 5716 1 1 2 VAL HG23 H 3.981 -4.621 0.687 1.00 . A A . 2 VAL HG23 1 1 18 5717 1 1 2 VAL N N 7.630 -1.924 0.994 1.00 . A A . 2 VAL N 1 1 18 5718 1 1 2 VAL O O 5.951 -0.230 -0.397 1.00 . A A . 2 VAL O 1 1 18 5719 1 1 3 GLY C C 3.471 -0.431 -2.255 1.00 . A A . 3 GLY C 1 1 18 5720 1 1 3 GLY CA C 4.803 -0.911 -2.789 1.00 . A A . 3 GLY CA 1 1 18 5721 1 1 3 GLY H H 5.449 -2.799 -2.086 1.00 . A A . 3 GLY H 1 1 18 5722 1 1 3 GLY HA2 H 5.457 -0.061 -2.929 1.00 . A A . 3 GLY HA2 1 1 18 5723 1 1 3 GLY HA3 H 4.647 -1.398 -3.738 1.00 . A A . 3 GLY HA3 1 1 18 5724 1 1 3 GLY N N 5.430 -1.842 -1.875 1.00 . A A . 3 GLY N 1 1 18 5725 1 1 3 GLY O O 2.425 -0.950 -2.633 1.00 . A A . 3 GLY O 1 1 18 5726 1 1 4 ARG C C 1.121 1.171 -1.666 1.00 . A A . 4 ARG C 1 1 18 5727 1 1 4 ARG CA C 2.319 1.101 -0.716 1.00 . A A . 4 ARG CA 1 1 18 5728 1 1 4 ARG CB C 2.593 2.493 -0.129 1.00 . A A . 4 ARG CB 1 1 18 5729 1 1 4 ARG CD C 4.504 4.086 0.201 1.00 . A A . 4 ARG CD 1 1 18 5730 1 1 4 ARG CG C 3.723 3.258 -0.805 1.00 . A A . 4 ARG CG 1 1 18 5731 1 1 4 ARG CZ C 4.652 6.336 -0.795 1.00 . A A . 4 ARG CZ 1 1 18 5732 1 1 4 ARG H H 4.396 0.887 -1.077 1.00 . A A . 4 ARG H 1 1 18 5733 1 1 4 ARG HA H 2.064 0.443 0.094 1.00 . A A . 4 ARG HA 1 1 18 5734 1 1 4 ARG HB2 H 1.695 3.085 -0.211 1.00 . A A . 4 ARG HB2 1 1 18 5735 1 1 4 ARG HB3 H 2.841 2.382 0.916 1.00 . A A . 4 ARG HB3 1 1 18 5736 1 1 4 ARG HD2 H 4.280 3.725 1.194 1.00 . A A . 4 ARG HD2 1 1 18 5737 1 1 4 ARG HD3 H 5.559 3.966 0.004 1.00 . A A . 4 ARG HD3 1 1 18 5738 1 1 4 ARG HE H 3.541 5.858 0.792 1.00 . A A . 4 ARG HE 1 1 18 5739 1 1 4 ARG HG2 H 4.395 2.560 -1.275 1.00 . A A . 4 ARG HG2 1 1 18 5740 1 1 4 ARG HG3 H 3.303 3.917 -1.550 1.00 . A A . 4 ARG HG3 1 1 18 5741 1 1 4 ARG HH11 H 5.781 4.935 -1.721 1.00 . A A . 4 ARG HH11 1 1 18 5742 1 1 4 ARG HH12 H 5.864 6.525 -2.402 1.00 . A A . 4 ARG HH12 1 1 18 5743 1 1 4 ARG HH21 H 3.648 7.947 -0.103 1.00 . A A . 4 ARG HH21 1 1 18 5744 1 1 4 ARG HH22 H 4.654 8.236 -1.484 1.00 . A A . 4 ARG HH22 1 1 18 5745 1 1 4 ARG N N 3.521 0.545 -1.348 1.00 . A A . 4 ARG N 1 1 18 5746 1 1 4 ARG NE N 4.165 5.505 0.124 1.00 . A A . 4 ARG NE 1 1 18 5747 1 1 4 ARG NH1 N 5.502 5.895 -1.714 1.00 . A A . 4 ARG NH1 1 1 18 5748 1 1 4 ARG NH2 N 4.288 7.610 -0.794 1.00 . A A . 4 ARG NH2 1 1 18 5749 1 1 4 ARG O O -0.025 1.061 -1.232 1.00 . A A . 4 ARG O 1 1 18 5750 1 1 5 ASN C C -0.371 0.076 -4.166 1.00 . A A . 5 ASN C 1 1 18 5751 1 1 5 ASN CA C 0.311 1.432 -3.949 1.00 . A A . 5 ASN CA 1 1 18 5752 1 1 5 ASN CB C 0.861 1.953 -5.277 1.00 . A A . 5 ASN CB 1 1 18 5753 1 1 5 ASN CG C -0.193 2.668 -6.098 1.00 . A A . 5 ASN CG 1 1 18 5754 1 1 5 ASN H H 2.312 1.435 -3.251 1.00 . A A . 5 ASN H 1 1 18 5755 1 1 5 ASN HA H -0.424 2.132 -3.579 1.00 . A A . 5 ASN HA 1 1 18 5756 1 1 5 ASN HB2 H 1.666 2.645 -5.080 1.00 . A A . 5 ASN HB2 1 1 18 5757 1 1 5 ASN HB3 H 1.239 1.121 -5.854 1.00 . A A . 5 ASN HB3 1 1 18 5758 1 1 5 ASN HD21 H -0.699 0.960 -6.982 1.00 . A A . 5 ASN HD21 1 1 18 5759 1 1 5 ASN HD22 H -1.586 2.355 -7.482 1.00 . A A . 5 ASN HD22 1 1 18 5760 1 1 5 ASN N N 1.382 1.351 -2.958 1.00 . A A . 5 ASN N 1 1 18 5761 1 1 5 ASN ND2 N -0.898 1.918 -6.939 1.00 . A A . 5 ASN ND2 1 1 18 5762 1 1 5 ASN O O -1.293 -0.038 -4.972 1.00 . A A . 5 ASN O 1 1 18 5763 1 1 5 ASN OD1 O -0.376 3.880 -5.978 1.00 . A A . 5 ASN OD1 1 1 18 5764 1 1 6 ASP C C -1.363 -2.610 -2.364 1.00 . A A . 6 ASP C 1 1 18 5765 1 1 6 ASP CA C -0.478 -2.288 -3.568 1.00 . A A . 6 ASP CA 1 1 18 5766 1 1 6 ASP CB C 0.651 -3.320 -3.685 1.00 . A A . 6 ASP CB 1 1 18 5767 1 1 6 ASP CG C 0.150 -4.752 -3.646 1.00 . A A . 6 ASP CG 1 1 18 5768 1 1 6 ASP H H 0.823 -0.805 -2.823 1.00 . A A . 6 ASP H 1 1 18 5769 1 1 6 ASP HA H -1.078 -2.317 -4.464 1.00 . A A . 6 ASP HA 1 1 18 5770 1 1 6 ASP HB2 H 1.170 -3.168 -4.619 1.00 . A A . 6 ASP HB2 1 1 18 5771 1 1 6 ASP HB3 H 1.343 -3.177 -2.868 1.00 . A A . 6 ASP HB3 1 1 18 5772 1 1 6 ASP N N 0.087 -0.949 -3.447 1.00 . A A . 6 ASP N 1 1 18 5773 1 1 6 ASP O O -1.076 -2.187 -1.243 1.00 . A A . 6 ASP O 1 1 18 5774 1 1 6 ASP OD1 O -0.238 -5.215 -2.553 1.00 . A A . 6 ASP OD1 1 1 18 5775 1 1 6 ASP OD2 O 0.147 -5.408 -4.708 1.00 . A A . 6 ASP OD2 1 1 18 5776 1 1 7 PRO C C -2.651 -4.270 -0.271 1.00 . A A . 7 PRO C 1 1 18 5777 1 1 7 PRO CA C -3.377 -3.753 -1.511 1.00 . A A . 7 PRO CA 1 1 18 5778 1 1 7 PRO CB C -4.228 -4.870 -2.142 1.00 . A A . 7 PRO CB 1 1 18 5779 1 1 7 PRO CD C -2.870 -3.920 -3.871 1.00 . A A . 7 PRO CD 1 1 18 5780 1 1 7 PRO CG C -3.594 -5.169 -3.463 1.00 . A A . 7 PRO CG 1 1 18 5781 1 1 7 PRO HA H -4.016 -2.929 -1.230 1.00 . A A . 7 PRO HA 1 1 18 5782 1 1 7 PRO HB2 H -4.219 -5.736 -1.498 1.00 . A A . 7 PRO HB2 1 1 18 5783 1 1 7 PRO HB3 H -5.242 -4.521 -2.265 1.00 . A A . 7 PRO HB3 1 1 18 5784 1 1 7 PRO HD2 H -2.019 -4.156 -4.491 1.00 . A A . 7 PRO HD2 1 1 18 5785 1 1 7 PRO HD3 H -3.539 -3.242 -4.381 1.00 . A A . 7 PRO HD3 1 1 18 5786 1 1 7 PRO HG2 H -2.897 -5.988 -3.359 1.00 . A A . 7 PRO HG2 1 1 18 5787 1 1 7 PRO HG3 H -4.355 -5.414 -4.189 1.00 . A A . 7 PRO HG3 1 1 18 5788 1 1 7 PRO N N -2.451 -3.369 -2.579 1.00 . A A . 7 PRO N 1 1 18 5789 1 1 7 PRO O O -1.898 -5.241 -0.341 1.00 . A A . 7 PRO O 1 1 18 5790 1 1 8 CYS C C -2.157 -5.502 2.285 1.00 . A A . 8 CYS C 1 1 18 5791 1 1 8 CYS CA C -2.266 -3.982 2.136 1.00 . A A . 8 CYS CA 1 1 18 5792 1 1 8 CYS CB C -3.079 -3.406 3.298 1.00 . A A . 8 CYS CB 1 1 18 5793 1 1 8 CYS H H -3.494 -2.841 0.845 1.00 . A A . 8 CYS H 1 1 18 5794 1 1 8 CYS HA H -1.275 -3.555 2.157 1.00 . A A . 8 CYS HA 1 1 18 5795 1 1 8 CYS HB2 H -3.557 -2.493 2.974 1.00 . A A . 8 CYS HB2 1 1 18 5796 1 1 8 CYS HB3 H -3.837 -4.119 3.584 1.00 . A A . 8 CYS HB3 1 1 18 5797 1 1 8 CYS N N -2.887 -3.608 0.863 1.00 . A A . 8 CYS N 1 1 18 5798 1 1 8 CYS O O -3.105 -6.230 1.992 1.00 . A A . 8 CYS O 1 1 18 5799 1 1 8 CYS SG S -2.103 -3.017 4.768 1.00 . A A . 8 CYS SG 1 1 18 5800 1 1 9 PRO C C -1.662 -8.045 4.000 1.00 . A A . 9 PRO C 1 1 18 5801 1 1 9 PRO CA C -0.770 -7.442 2.919 1.00 . A A . 9 PRO CA 1 1 18 5802 1 1 9 PRO CB C 0.704 -7.532 3.332 1.00 . A A . 9 PRO CB 1 1 18 5803 1 1 9 PRO CD C 0.194 -5.212 3.109 1.00 . A A . 9 PRO CD 1 1 18 5804 1 1 9 PRO CG C 1.026 -6.189 3.890 1.00 . A A . 9 PRO CG 1 1 18 5805 1 1 9 PRO HA H -0.918 -7.982 1.995 1.00 . A A . 9 PRO HA 1 1 18 5806 1 1 9 PRO HB2 H 0.826 -8.308 4.074 1.00 . A A . 9 PRO HB2 1 1 18 5807 1 1 9 PRO HB3 H 1.310 -7.755 2.467 1.00 . A A . 9 PRO HB3 1 1 18 5808 1 1 9 PRO HD2 H -0.078 -4.371 3.728 1.00 . A A . 9 PRO HD2 1 1 18 5809 1 1 9 PRO HD3 H 0.726 -4.881 2.230 1.00 . A A . 9 PRO HD3 1 1 18 5810 1 1 9 PRO HG2 H 0.766 -6.153 4.936 1.00 . A A . 9 PRO HG2 1 1 18 5811 1 1 9 PRO HG3 H 2.077 -5.978 3.755 1.00 . A A . 9 PRO HG3 1 1 18 5812 1 1 9 PRO N N -0.993 -6.003 2.740 1.00 . A A . 9 PRO N 1 1 18 5813 1 1 9 PRO O O -1.927 -9.247 3.999 1.00 . A A . 9 PRO O 1 1 18 5814 1 1 10 CYS C C -4.237 -8.348 5.465 1.00 . A A . 10 CYS C 1 1 18 5815 1 1 10 CYS CA C -2.984 -7.666 6.010 1.00 . A A . 10 CYS CA 1 1 18 5816 1 1 10 CYS CB C -3.373 -6.493 6.916 1.00 . A A . 10 CYS CB 1 1 18 5817 1 1 10 CYS H H -1.877 -6.259 4.876 1.00 . A A . 10 CYS H 1 1 18 5818 1 1 10 CYS HA H -2.424 -8.384 6.590 1.00 . A A . 10 CYS HA 1 1 18 5819 1 1 10 CYS HB2 H -3.860 -6.879 7.798 1.00 . A A . 10 CYS HB2 1 1 18 5820 1 1 10 CYS HB3 H -2.479 -5.963 7.207 1.00 . A A . 10 CYS HB3 1 1 18 5821 1 1 10 CYS N N -2.122 -7.206 4.924 1.00 . A A . 10 CYS N 1 1 18 5822 1 1 10 CYS O O -4.793 -9.242 6.099 1.00 . A A . 10 CYS O 1 1 18 5823 1 1 10 CYS SG S -4.498 -5.300 6.150 1.00 . A A . 10 CYS SG 1 1 18 5824 1 1 11 GLY C C -7.127 -7.781 4.073 1.00 . A A . 11 GLY C 1 1 18 5825 1 1 11 GLY CA C -5.854 -8.500 3.674 1.00 . A A . 11 GLY CA 1 1 18 5826 1 1 11 GLY H H -4.186 -7.203 3.823 1.00 . A A . 11 GLY H 1 1 18 5827 1 1 11 GLY HA2 H -5.749 -8.455 2.600 1.00 . A A . 11 GLY HA2 1 1 18 5828 1 1 11 GLY HA3 H -5.928 -9.535 3.975 1.00 . A A . 11 GLY HA3 1 1 18 5829 1 1 11 GLY N N -4.672 -7.918 4.284 1.00 . A A . 11 GLY N 1 1 18 5830 1 1 11 GLY O O -8.167 -8.410 4.267 1.00 . A A . 11 GLY O 1 1 18 5831 1 1 12 SER C C -8.980 -5.206 3.340 1.00 . A A . 12 SER C 1 1 18 5832 1 1 12 SER CA C -8.203 -5.657 4.573 1.00 . A A . 12 SER CA 1 1 18 5833 1 1 12 SER CB C -7.759 -4.438 5.385 1.00 . A A . 12 SER CB 1 1 18 5834 1 1 12 SER H H -6.189 -6.016 4.027 1.00 . A A . 12 SER H 1 1 18 5835 1 1 12 SER HA H -8.846 -6.269 5.186 1.00 . A A . 12 SER HA 1 1 18 5836 1 1 12 SER HB2 H -8.628 -3.940 5.786 1.00 . A A . 12 SER HB2 1 1 18 5837 1 1 12 SER HB3 H -7.122 -4.759 6.195 1.00 . A A . 12 SER HB3 1 1 18 5838 1 1 12 SER HG H -7.418 -2.643 4.676 1.00 . A A . 12 SER HG 1 1 18 5839 1 1 12 SER N N -7.047 -6.460 4.195 1.00 . A A . 12 SER N 1 1 18 5840 1 1 12 SER O O -10.205 -5.101 3.370 1.00 . A A . 12 SER O 1 1 18 5841 1 1 12 SER OG O -7.041 -3.520 4.577 1.00 . A A . 12 SER OG 1 1 18 5842 1 1 13 GLY C C -8.311 -3.205 0.503 1.00 . A A . 13 GLY C 1 1 18 5843 1 1 13 GLY CA C -8.894 -4.503 1.028 1.00 . A A . 13 GLY CA 1 1 18 5844 1 1 13 GLY H H -7.282 -5.040 2.292 1.00 . A A . 13 GLY H 1 1 18 5845 1 1 13 GLY HA2 H -8.770 -5.270 0.278 1.00 . A A . 13 GLY HA2 1 1 18 5846 1 1 13 GLY HA3 H -9.949 -4.362 1.212 1.00 . A A . 13 GLY HA3 1 1 18 5847 1 1 13 GLY N N -8.257 -4.940 2.257 1.00 . A A . 13 GLY N 1 1 18 5848 1 1 13 GLY O O -8.360 -2.936 -0.698 1.00 . A A . 13 GLY O 1 1 18 5849 1 1 14 LYS C C -5.657 -1.255 0.846 1.00 . A A . 14 LYS C 1 1 18 5850 1 1 14 LYS CA C -7.165 -1.122 1.026 1.00 . A A . 14 LYS CA 1 1 18 5851 1 1 14 LYS CB C -7.469 -0.063 2.087 1.00 . A A . 14 LYS CB 1 1 18 5852 1 1 14 LYS CD C -9.587 -0.295 3.422 1.00 . A A . 14 LYS CD 1 1 18 5853 1 1 14 LYS CE C -10.983 0.265 3.649 1.00 . A A . 14 LYS CE 1 1 18 5854 1 1 14 LYS CG C -8.942 0.301 2.181 1.00 . A A . 14 LYS CG 1 1 18 5855 1 1 14 LYS H H -7.752 -2.669 2.345 1.00 . A A . 14 LYS H 1 1 18 5856 1 1 14 LYS HA H -7.603 -0.816 0.088 1.00 . A A . 14 LYS HA 1 1 18 5857 1 1 14 LYS HB2 H -7.147 -0.433 3.051 1.00 . A A . 14 LYS HB2 1 1 18 5858 1 1 14 LYS HB3 H -6.913 0.833 1.854 1.00 . A A . 14 LYS HB3 1 1 18 5859 1 1 14 LYS HD2 H -9.655 -1.366 3.301 1.00 . A A . 14 LYS HD2 1 1 18 5860 1 1 14 LYS HD3 H -8.973 -0.065 4.281 1.00 . A A . 14 LYS HD3 1 1 18 5861 1 1 14 LYS HE2 H -10.930 1.036 4.402 1.00 . A A . 14 LYS HE2 1 1 18 5862 1 1 14 LYS HE3 H -11.340 0.692 2.722 1.00 . A A . 14 LYS HE3 1 1 18 5863 1 1 14 LYS HG2 H -9.035 1.376 2.220 1.00 . A A . 14 LYS HG2 1 1 18 5864 1 1 14 LYS HG3 H -9.451 -0.075 1.305 1.00 . A A . 14 LYS HG3 1 1 18 5865 1 1 14 LYS HZ1 H -11.950 -1.572 3.417 1.00 . A A . 14 LYS HZ1 1 1 18 5866 1 1 14 LYS HZ2 H -12.896 -0.391 4.171 1.00 . A A . 14 LYS HZ2 1 1 18 5867 1 1 14 LYS HZ3 H -11.653 -1.152 5.029 1.00 . A A . 14 LYS HZ3 1 1 18 5868 1 1 14 LYS N N -7.759 -2.399 1.403 1.00 . A A . 14 LYS N 1 1 18 5869 1 1 14 LYS NZ N -11.937 -0.786 4.098 1.00 . A A . 14 LYS NZ 1 1 18 5870 1 1 14 LYS O O -5.044 -2.199 1.344 1.00 . A A . 14 LYS O 1 1 18 5871 1 1 15 LYS C C -2.869 0.065 1.167 1.00 . A A . 15 LYS C 1 1 18 5872 1 1 15 LYS CA C -3.625 -0.312 -0.103 1.00 . A A . 15 LYS CA 1 1 18 5873 1 1 15 LYS CB C -3.266 0.655 -1.233 1.00 . A A . 15 LYS CB 1 1 18 5874 1 1 15 LYS CD C -4.463 1.082 -3.406 1.00 . A A . 15 LYS CD 1 1 18 5875 1 1 15 LYS CE C -5.901 0.596 -3.489 1.00 . A A . 15 LYS CE 1 1 18 5876 1 1 15 LYS CG C -3.591 0.116 -2.618 1.00 . A A . 15 LYS CG 1 1 18 5877 1 1 15 LYS H H -5.604 0.428 -0.232 1.00 . A A . 15 LYS H 1 1 18 5878 1 1 15 LYS HA H -3.342 -1.311 -0.392 1.00 . A A . 15 LYS HA 1 1 18 5879 1 1 15 LYS HB2 H -3.811 1.577 -1.089 1.00 . A A . 15 LYS HB2 1 1 18 5880 1 1 15 LYS HB3 H -2.207 0.863 -1.191 1.00 . A A . 15 LYS HB3 1 1 18 5881 1 1 15 LYS HD2 H -4.447 2.047 -2.920 1.00 . A A . 15 LYS HD2 1 1 18 5882 1 1 15 LYS HD3 H -4.066 1.175 -4.407 1.00 . A A . 15 LYS HD3 1 1 18 5883 1 1 15 LYS HE2 H -5.909 -0.480 -3.398 1.00 . A A . 15 LYS HE2 1 1 18 5884 1 1 15 LYS HE3 H -6.461 1.029 -2.674 1.00 . A A . 15 LYS HE3 1 1 18 5885 1 1 15 LYS HG2 H -2.669 -0.040 -3.158 1.00 . A A . 15 LYS HG2 1 1 18 5886 1 1 15 LYS HG3 H -4.112 -0.824 -2.514 1.00 . A A . 15 LYS HG3 1 1 18 5887 1 1 15 LYS HZ1 H -5.818 1.148 -5.501 1.00 . A A . 15 LYS HZ1 1 1 18 5888 1 1 15 LYS HZ2 H -7.106 1.842 -4.653 1.00 . A A . 15 LYS HZ2 1 1 18 5889 1 1 15 LYS HZ3 H -7.171 0.213 -5.103 1.00 . A A . 15 LYS HZ3 1 1 18 5890 1 1 15 LYS N N -5.063 -0.301 0.136 1.00 . A A . 15 LYS N 1 1 18 5891 1 1 15 LYS NZ N -6.544 0.976 -4.776 1.00 . A A . 15 LYS NZ 1 1 18 5892 1 1 15 LYS O O -3.459 0.563 2.123 1.00 . A A . 15 LYS O 1 1 18 5893 1 1 16 TYR C C -0.973 1.557 2.825 1.00 . A A . 16 TYR C 1 1 18 5894 1 1 16 TYR CA C -0.729 0.131 2.330 1.00 . A A . 16 TYR CA 1 1 18 5895 1 1 16 TYR CB C 0.744 -0.048 1.967 1.00 . A A . 16 TYR CB 1 1 18 5896 1 1 16 TYR CD1 C 1.088 -1.741 3.807 1.00 . A A . 16 TYR CD1 1 1 18 5897 1 1 16 TYR CD2 C 2.855 -0.211 3.334 1.00 . A A . 16 TYR CD2 1 1 18 5898 1 1 16 TYR CE1 C 1.849 -2.319 4.805 1.00 . A A . 16 TYR CE1 1 1 18 5899 1 1 16 TYR CE2 C 3.624 -0.784 4.330 1.00 . A A . 16 TYR CE2 1 1 18 5900 1 1 16 TYR CG C 1.578 -0.679 3.057 1.00 . A A . 16 TYR CG 1 1 18 5901 1 1 16 TYR CZ C 3.116 -1.837 5.062 1.00 . A A . 16 TYR CZ 1 1 18 5902 1 1 16 TYR H H -1.147 -0.583 0.381 1.00 . A A . 16 TYR H 1 1 18 5903 1 1 16 TYR HA H -0.983 -0.560 3.119 1.00 . A A . 16 TYR HA 1 1 18 5904 1 1 16 TYR HB2 H 0.816 -0.678 1.093 1.00 . A A . 16 TYR HB2 1 1 18 5905 1 1 16 TYR HB3 H 1.171 0.919 1.743 1.00 . A A . 16 TYR HB3 1 1 18 5906 1 1 16 TYR HD1 H 0.096 -2.117 3.601 1.00 . A A . 16 TYR HD1 1 1 18 5907 1 1 16 TYR HD2 H 3.249 0.613 2.755 1.00 . A A . 16 TYR HD2 1 1 18 5908 1 1 16 TYR HE1 H 1.453 -3.144 5.377 1.00 . A A . 16 TYR HE1 1 1 18 5909 1 1 16 TYR HE2 H 4.615 -0.407 4.532 1.00 . A A . 16 TYR HE2 1 1 18 5910 1 1 16 TYR HH H 4.735 -2.654 5.701 1.00 . A A . 16 TYR HH 1 1 18 5911 1 1 16 TYR N N -1.563 -0.180 1.173 1.00 . A A . 16 TYR N 1 1 18 5912 1 1 16 TYR O O -1.525 1.763 3.905 1.00 . A A . 16 TYR O 1 1 18 5913 1 1 16 TYR OH O 3.877 -2.409 6.056 1.00 . A A . 16 TYR OH 1 1 18 5914 1 1 17 LYS C C -2.160 4.253 2.798 1.00 . A A . 17 LYS C 1 1 18 5915 1 1 17 LYS CA C -0.724 3.944 2.378 1.00 . A A . 17 LYS CA 1 1 18 5916 1 1 17 LYS CB C -0.328 4.831 1.196 1.00 . A A . 17 LYS CB 1 1 18 5917 1 1 17 LYS CD C -0.253 4.687 -1.313 1.00 . A A . 17 LYS CD 1 1 18 5918 1 1 17 LYS CE C -0.538 5.988 -2.045 1.00 . A A . 17 LYS CE 1 1 18 5919 1 1 17 LYS CG C -1.117 4.543 -0.070 1.00 . A A . 17 LYS CG 1 1 18 5920 1 1 17 LYS H H -0.124 2.306 1.178 1.00 . A A . 17 LYS H 1 1 18 5921 1 1 17 LYS HA H -0.067 4.157 3.207 1.00 . A A . 17 LYS HA 1 1 18 5922 1 1 17 LYS HB2 H -0.488 5.865 1.467 1.00 . A A . 17 LYS HB2 1 1 18 5923 1 1 17 LYS HB3 H 0.720 4.682 0.984 1.00 . A A . 17 LYS HB3 1 1 18 5924 1 1 17 LYS HD2 H 0.786 4.671 -1.021 1.00 . A A . 17 LYS HD2 1 1 18 5925 1 1 17 LYS HD3 H -0.454 3.859 -1.977 1.00 . A A . 17 LYS HD3 1 1 18 5926 1 1 17 LYS HE2 H -1.485 6.379 -1.704 1.00 . A A . 17 LYS HE2 1 1 18 5927 1 1 17 LYS HE3 H 0.245 6.696 -1.815 1.00 . A A . 17 LYS HE3 1 1 18 5928 1 1 17 LYS HG2 H -1.497 3.534 -0.024 1.00 . A A . 17 LYS HG2 1 1 18 5929 1 1 17 LYS HG3 H -1.943 5.238 -0.134 1.00 . A A . 17 LYS HG3 1 1 18 5930 1 1 17 LYS HZ1 H -1.080 4.901 -3.744 1.00 . A A . 17 LYS HZ1 1 1 18 5931 1 1 17 LYS HZ2 H 0.361 5.767 -3.917 1.00 . A A . 17 LYS HZ2 1 1 18 5932 1 1 17 LYS HZ3 H -1.122 6.579 -3.963 1.00 . A A . 17 LYS HZ3 1 1 18 5933 1 1 17 LYS N N -0.557 2.535 2.025 1.00 . A A . 17 LYS N 1 1 18 5934 1 1 17 LYS NZ N -0.599 5.796 -3.520 1.00 . A A . 17 LYS NZ 1 1 18 5935 1 1 17 LYS O O -2.410 5.213 3.528 1.00 . A A . 17 LYS O 1 1 18 5936 1 1 18 GLN C C -4.910 2.884 3.910 1.00 . A A . 18 GLN C 1 1 18 5937 1 1 18 GLN CA C -4.512 3.635 2.645 1.00 . A A . 18 GLN CA 1 1 18 5938 1 1 18 GLN CB C -5.383 3.149 1.488 1.00 . A A . 18 GLN CB 1 1 18 5939 1 1 18 GLN CD C -5.309 4.981 -0.248 1.00 . A A . 18 GLN CD 1 1 18 5940 1 1 18 GLN CG C -4.879 3.575 0.118 1.00 . A A . 18 GLN CG 1 1 18 5941 1 1 18 GLN H H -2.843 2.699 1.743 1.00 . A A . 18 GLN H 1 1 18 5942 1 1 18 GLN HA H -4.681 4.691 2.793 1.00 . A A . 18 GLN HA 1 1 18 5943 1 1 18 GLN HB2 H -5.418 2.066 1.516 1.00 . A A . 18 GLN HB2 1 1 18 5944 1 1 18 GLN HB3 H -6.382 3.535 1.618 1.00 . A A . 18 GLN HB3 1 1 18 5945 1 1 18 GLN HE21 H -6.486 4.271 -1.685 1.00 . A A . 18 GLN HE21 1 1 18 5946 1 1 18 GLN HE22 H -6.473 5.990 -1.506 1.00 . A A . 18 GLN HE22 1 1 18 5947 1 1 18 GLN HG2 H -3.800 3.534 0.116 1.00 . A A . 18 GLN HG2 1 1 18 5948 1 1 18 GLN HG3 H -5.265 2.891 -0.623 1.00 . A A . 18 GLN HG3 1 1 18 5949 1 1 18 GLN N N -3.101 3.443 2.327 1.00 . A A . 18 GLN N 1 1 18 5950 1 1 18 GLN NE2 N -6.178 5.092 -1.248 1.00 . A A . 18 GLN NE2 1 1 18 5951 1 1 18 GLN O O -5.862 3.264 4.593 1.00 . A A . 18 GLN O 1 1 18 5952 1 1 18 GLN OE1 O -4.869 5.957 0.359 1.00 . A A . 18 GLN OE1 1 1 18 5953 1 1 19 CYS C C -3.442 1.094 6.445 1.00 . A A . 19 CYS C 1 1 18 5954 1 1 19 CYS CA C -4.511 0.980 5.359 1.00 . A A . 19 CYS CA 1 1 18 5955 1 1 19 CYS CB C -4.674 -0.475 4.917 1.00 . A A . 19 CYS CB 1 1 18 5956 1 1 19 CYS H H -3.471 1.534 3.603 1.00 . A A . 19 CYS H 1 1 18 5957 1 1 19 CYS HA H -5.450 1.324 5.764 1.00 . A A . 19 CYS HA 1 1 18 5958 1 1 19 CYS HB2 H -5.280 -0.497 4.023 1.00 . A A . 19 CYS HB2 1 1 18 5959 1 1 19 CYS HB3 H -3.705 -0.890 4.691 1.00 . A A . 19 CYS HB3 1 1 18 5960 1 1 19 CYS N N -4.202 1.801 4.198 1.00 . A A . 19 CYS N 1 1 18 5961 1 1 19 CYS O O -3.615 1.827 7.419 1.00 . A A . 19 CYS O 1 1 18 5962 1 1 19 CYS SG S -5.461 -1.543 6.145 1.00 . A A . 19 CYS SG 1 1 18 5963 1 1 20 HIS C C -0.116 1.274 6.813 1.00 . A A . 20 HIS C 1 1 18 5964 1 1 20 HIS CA C -1.265 0.378 7.264 1.00 . A A . 20 HIS CA 1 1 18 5965 1 1 20 HIS CB C -0.753 -1.041 7.514 1.00 . A A . 20 HIS CB 1 1 18 5966 1 1 20 HIS CD2 C -1.583 -1.696 9.867 1.00 . A A . 20 HIS CD2 1 1 18 5967 1 1 20 HIS CE1 C -2.996 -3.233 9.244 1.00 . A A . 20 HIS CE1 1 1 18 5968 1 1 20 HIS CG C -1.566 -1.801 8.517 1.00 . A A . 20 HIS CG 1 1 18 5969 1 1 20 HIS H H -2.266 -0.211 5.491 1.00 . A A . 20 HIS H 1 1 18 5970 1 1 20 HIS HA H -1.666 0.770 8.187 1.00 . A A . 20 HIS HA 1 1 18 5971 1 1 20 HIS HB2 H -0.772 -1.592 6.586 1.00 . A A . 20 HIS HB2 1 1 18 5972 1 1 20 HIS HB3 H 0.263 -0.991 7.877 1.00 . A A . 20 HIS HB3 1 1 18 5973 1 1 20 HIS HD2 H -0.994 -1.023 10.471 1.00 . A A . 20 HIS HD2 1 1 18 5974 1 1 20 HIS HE1 H -3.744 -4.012 9.281 1.00 . A A . 20 HIS HE1 1 1 18 5975 1 1 20 HIS HE2 H -2.609 -2.896 11.255 1.00 . A A . 20 HIS HE2 1 1 18 5976 1 1 20 HIS N N -2.346 0.360 6.283 1.00 . A A . 20 HIS N 1 1 18 5977 1 1 20 HIS ND1 N -2.459 -2.770 8.130 1.00 . A A . 20 HIS ND1 1 1 18 5978 1 1 20 HIS NE2 N -2.497 -2.612 10.324 1.00 . A A . 20 HIS NE2 1 1 18 5979 1 1 20 HIS O O 0.384 2.092 7.584 1.00 . A A . 20 HIS O 1 1 18 5980 1 1 21 GLY C C 1.238 3.392 5.337 1.00 . A A . 21 GLY C 1 1 18 5981 1 1 21 GLY CA C 1.391 1.914 5.029 1.00 . A A . 21 GLY CA 1 1 18 5982 1 1 21 GLY H H -0.135 0.443 4.992 1.00 . A A . 21 GLY H 1 1 18 5983 1 1 21 GLY HA2 H 2.319 1.563 5.455 1.00 . A A . 21 GLY HA2 1 1 18 5984 1 1 21 GLY HA3 H 1.428 1.783 3.958 1.00 . A A . 21 GLY HA3 1 1 18 5985 1 1 21 GLY N N 0.301 1.113 5.561 1.00 . A A . 21 GLY N 1 1 18 5986 1 1 21 GLY O O 2.228 4.118 5.438 1.00 . A A . 21 GLY O 1 1 18 5987 1 1 22 ARG C C 0.362 6.160 4.756 1.00 . A A . 22 ARG C 1 1 18 5988 1 1 22 ARG CA C -0.287 5.239 5.785 1.00 . A A . 22 ARG CA 1 1 18 5989 1 1 22 ARG CB C 0.211 5.592 7.188 1.00 . A A . 22 ARG CB 1 1 18 5990 1 1 22 ARG CD C -1.679 6.417 8.627 1.00 . A A . 22 ARG CD 1 1 18 5991 1 1 22 ARG CG C -0.776 5.241 8.290 1.00 . A A . 22 ARG CG 1 1 18 5992 1 1 22 ARG CZ C -3.128 7.138 10.485 1.00 . A A . 22 ARG CZ 1 1 18 5993 1 1 22 ARG H H -0.752 3.211 5.395 1.00 . A A . 22 ARG H 1 1 18 5994 1 1 22 ARG HA H -1.357 5.376 5.749 1.00 . A A . 22 ARG HA 1 1 18 5995 1 1 22 ARG HB2 H 1.132 5.061 7.376 1.00 . A A . 22 ARG HB2 1 1 18 5996 1 1 22 ARG HB3 H 0.404 6.655 7.232 1.00 . A A . 22 ARG HB3 1 1 18 5997 1 1 22 ARG HD2 H -1.125 7.333 8.483 1.00 . A A . 22 ARG HD2 1 1 18 5998 1 1 22 ARG HD3 H -2.529 6.403 7.960 1.00 . A A . 22 ARG HD3 1 1 18 5999 1 1 22 ARG HE H -1.730 5.718 10.607 1.00 . A A . 22 ARG HE 1 1 18 6000 1 1 22 ARG HG2 H -1.387 4.414 7.963 1.00 . A A . 22 ARG HG2 1 1 18 6001 1 1 22 ARG HG3 H -0.226 4.957 9.175 1.00 . A A . 22 ARG HG3 1 1 18 6002 1 1 22 ARG HH11 H -3.453 8.113 8.744 1.00 . A A . 22 ARG HH11 1 1 18 6003 1 1 22 ARG HH12 H -4.458 8.602 10.067 1.00 . A A . 22 ARG HH12 1 1 18 6004 1 1 22 ARG HH21 H -3.051 6.359 12.349 1.00 . A A . 22 ARG HH21 1 1 18 6005 1 1 22 ARG HH22 H -4.230 7.607 12.114 1.00 . A A . 22 ARG HH22 1 1 18 6006 1 1 22 ARG N N -0.005 3.838 5.486 1.00 . A A . 22 ARG N 1 1 18 6007 1 1 22 ARG NE N -2.156 6.363 10.006 1.00 . A A . 22 ARG NE 1 1 18 6008 1 1 22 ARG NH1 N -3.728 8.023 9.701 1.00 . A A . 22 ARG NH1 1 1 18 6009 1 1 22 ARG NH2 N -3.500 7.026 11.753 1.00 . A A . 22 ARG NH2 1 1 18 6010 1 1 22 ARG O O 1.557 6.480 4.920 1.00 . A A . 22 ARG O 1 1 18 6011 1 1 22 ARG OXT O -0.332 6.552 3.794 1.00 . A A . 22 ARG OXT 1 1 18 6012 2 2 1 ZN ZN ZN -3.718 -3.097 6.489 1.00 . B A . 23 ZN ZN 1 1 19 6013 1 1 1 LYS C C 8.627 -2.584 0.289 1.00 . A A . 1 LYS C 1 1 19 6014 1 1 1 LYS CA C 9.766 -2.121 1.192 1.00 . A A . 1 LYS CA 1 1 19 6015 1 1 1 LYS CB C 10.550 -0.992 0.519 1.00 . A A . 1 LYS CB 1 1 19 6016 1 1 1 LYS CD C 12.296 0.068 1.986 1.00 . A A . 1 LYS CD 1 1 19 6017 1 1 1 LYS CE C 12.319 -0.427 3.424 1.00 . A A . 1 LYS CE 1 1 19 6018 1 1 1 LYS CG C 10.875 0.163 1.452 1.00 . A A . 1 LYS CG 1 1 19 6019 1 1 1 LYS H1 H 11.262 -2.963 2.325 1.00 . A A . 1 LYS H1 1 1 19 6020 1 1 1 LYS H2 H 11.311 -3.369 0.658 1.00 . A A . 1 LYS H2 1 1 19 6021 1 1 1 LYS H3 H 10.135 -4.084 1.683 1.00 . A A . 1 LYS H3 1 1 19 6022 1 1 1 LYS HA H 9.352 -1.760 2.122 1.00 . A A . 1 LYS HA 1 1 19 6023 1 1 1 LYS HB2 H 11.479 -1.392 0.139 1.00 . A A . 1 LYS HB2 1 1 19 6024 1 1 1 LYS HB3 H 9.970 -0.606 -0.307 1.00 . A A . 1 LYS HB3 1 1 19 6025 1 1 1 LYS HD2 H 12.857 -0.619 1.371 1.00 . A A . 1 LYS HD2 1 1 19 6026 1 1 1 LYS HD3 H 12.752 1.047 1.945 1.00 . A A . 1 LYS HD3 1 1 19 6027 1 1 1 LYS HE2 H 11.786 -1.365 3.476 1.00 . A A . 1 LYS HE2 1 1 19 6028 1 1 1 LYS HE3 H 13.346 -0.581 3.721 1.00 . A A . 1 LYS HE3 1 1 19 6029 1 1 1 LYS HG2 H 10.767 1.092 0.911 1.00 . A A . 1 LYS HG2 1 1 19 6030 1 1 1 LYS HG3 H 10.185 0.146 2.284 1.00 . A A . 1 LYS HG3 1 1 19 6031 1 1 1 LYS HZ1 H 11.180 0.037 5.111 1.00 . A A . 1 LYS HZ1 1 1 19 6032 1 1 1 LYS HZ2 H 11.004 1.141 3.842 1.00 . A A . 1 LYS HZ2 1 1 19 6033 1 1 1 LYS HZ3 H 12.408 1.154 4.785 1.00 . A A . 1 LYS HZ3 1 1 19 6034 1 1 1 LYS N N 10.702 -3.234 1.491 1.00 . A A . 1 LYS N 1 1 19 6035 1 1 1 LYS NZ N 11.683 0.544 4.355 1.00 . A A . 1 LYS NZ 1 1 19 6036 1 1 1 LYS O O 8.839 -2.897 -0.884 1.00 . A A . 1 LYS O 1 1 19 6037 1 1 2 VAL C C 5.656 -1.897 -0.708 1.00 . A A . 2 VAL C 1 1 19 6038 1 1 2 VAL CA C 6.247 -3.053 0.088 1.00 . A A . 2 VAL CA 1 1 19 6039 1 1 2 VAL CB C 5.153 -3.620 1.017 1.00 . A A . 2 VAL CB 1 1 19 6040 1 1 2 VAL CG1 C 4.637 -2.544 1.963 1.00 . A A . 2 VAL CG1 1 1 19 6041 1 1 2 VAL CG2 C 4.010 -4.209 0.200 1.00 . A A . 2 VAL CG2 1 1 19 6042 1 1 2 VAL H H 7.315 -2.365 1.780 1.00 . A A . 2 VAL H 1 1 19 6043 1 1 2 VAL HA H 6.552 -3.832 -0.595 1.00 . A A . 2 VAL HA 1 1 19 6044 1 1 2 VAL HB H 5.587 -4.412 1.610 1.00 . A A . 2 VAL HB 1 1 19 6045 1 1 2 VAL HG11 H 4.019 -2.999 2.723 1.00 . A A . 2 VAL HG11 1 1 19 6046 1 1 2 VAL HG12 H 4.050 -1.824 1.407 1.00 . A A . 2 VAL HG12 1 1 19 6047 1 1 2 VAL HG13 H 5.471 -2.044 2.430 1.00 . A A . 2 VAL HG13 1 1 19 6048 1 1 2 VAL HG21 H 4.346 -4.392 -0.810 1.00 . A A . 2 VAL HG21 1 1 19 6049 1 1 2 VAL HG22 H 3.184 -3.513 0.183 1.00 . A A . 2 VAL HG22 1 1 19 6050 1 1 2 VAL HG23 H 3.690 -5.138 0.648 1.00 . A A . 2 VAL HG23 1 1 19 6051 1 1 2 VAL N N 7.420 -2.627 0.843 1.00 . A A . 2 VAL N 1 1 19 6052 1 1 2 VAL O O 5.656 -0.753 -0.252 1.00 . A A . 2 VAL O 1 1 19 6053 1 1 3 GLY C C 3.372 -0.507 -1.993 1.00 . A A . 3 GLY C 1 1 19 6054 1 1 3 GLY CA C 4.527 -1.174 -2.711 1.00 . A A . 3 GLY CA 1 1 19 6055 1 1 3 GLY H H 5.145 -3.132 -2.200 1.00 . A A . 3 GLY H 1 1 19 6056 1 1 3 GLY HA2 H 5.272 -0.429 -2.951 1.00 . A A . 3 GLY HA2 1 1 19 6057 1 1 3 GLY HA3 H 4.164 -1.618 -3.625 1.00 . A A . 3 GLY HA3 1 1 19 6058 1 1 3 GLY N N 5.132 -2.202 -1.891 1.00 . A A . 3 GLY N 1 1 19 6059 1 1 3 GLY O O 2.259 -1.027 -1.984 1.00 . A A . 3 GLY O 1 1 19 6060 1 1 4 ARG C C 1.319 1.492 -1.393 1.00 . A A . 4 ARG C 1 1 19 6061 1 1 4 ARG CA C 2.628 1.359 -0.616 1.00 . A A . 4 ARG CA 1 1 19 6062 1 1 4 ARG CB C 3.141 2.743 -0.236 1.00 . A A . 4 ARG CB 1 1 19 6063 1 1 4 ARG CD C 3.291 4.472 1.576 1.00 . A A . 4 ARG CD 1 1 19 6064 1 1 4 ARG CG C 2.531 3.268 1.049 1.00 . A A . 4 ARG CG 1 1 19 6065 1 1 4 ARG CZ C 4.409 3.680 3.625 1.00 . A A . 4 ARG CZ 1 1 19 6066 1 1 4 ARG H H 4.558 0.981 -1.389 1.00 . A A . 4 ARG H 1 1 19 6067 1 1 4 ARG HA H 2.439 0.806 0.286 1.00 . A A . 4 ARG HA 1 1 19 6068 1 1 4 ARG HB2 H 4.213 2.698 -0.111 1.00 . A A . 4 ARG HB2 1 1 19 6069 1 1 4 ARG HB3 H 2.907 3.435 -1.031 1.00 . A A . 4 ARG HB3 1 1 19 6070 1 1 4 ARG HD2 H 4.261 4.503 1.101 1.00 . A A . 4 ARG HD2 1 1 19 6071 1 1 4 ARG HD3 H 2.741 5.367 1.326 1.00 . A A . 4 ARG HD3 1 1 19 6072 1 1 4 ARG HE H 2.872 4.953 3.578 1.00 . A A . 4 ARG HE 1 1 19 6073 1 1 4 ARG HG2 H 1.506 3.555 0.856 1.00 . A A . 4 ARG HG2 1 1 19 6074 1 1 4 ARG HG3 H 2.554 2.483 1.793 1.00 . A A . 4 ARG HG3 1 1 19 6075 1 1 4 ARG HH11 H 5.176 2.931 1.909 1.00 . A A . 4 ARG HH11 1 1 19 6076 1 1 4 ARG HH12 H 5.943 2.389 3.364 1.00 . A A . 4 ARG HH12 1 1 19 6077 1 1 4 ARG HH21 H 3.881 4.242 5.493 1.00 . A A . 4 ARG HH21 1 1 19 6078 1 1 4 ARG HH22 H 5.208 3.133 5.398 1.00 . A A . 4 ARG HH22 1 1 19 6079 1 1 4 ARG N N 3.644 0.630 -1.366 1.00 . A A . 4 ARG N 1 1 19 6080 1 1 4 ARG NE N 3.476 4.415 3.024 1.00 . A A . 4 ARG NE 1 1 19 6081 1 1 4 ARG NH1 N 5.244 2.939 2.907 1.00 . A A . 4 ARG NH1 1 1 19 6082 1 1 4 ARG NH2 N 4.507 3.685 4.947 1.00 . A A . 4 ARG NH2 1 1 19 6083 1 1 4 ARG O O 0.246 1.590 -0.799 1.00 . A A . 4 ARG O 1 1 19 6084 1 1 5 ASN C C -0.422 0.286 -3.853 1.00 . A A . 5 ASN C 1 1 19 6085 1 1 5 ASN CA C 0.226 1.641 -3.560 1.00 . A A . 5 ASN CA 1 1 19 6086 1 1 5 ASN CB C 0.590 2.337 -4.873 1.00 . A A . 5 ASN CB 1 1 19 6087 1 1 5 ASN CG C -0.610 2.986 -5.535 1.00 . A A . 5 ASN CG 1 1 19 6088 1 1 5 ASN H H 2.294 1.432 -3.137 1.00 . A A . 5 ASN H 1 1 19 6089 1 1 5 ASN HA H -0.482 2.257 -3.025 1.00 . A A . 5 ASN HA 1 1 19 6090 1 1 5 ASN HB2 H 1.326 3.102 -4.676 1.00 . A A . 5 ASN HB2 1 1 19 6091 1 1 5 ASN HB3 H 1.007 1.611 -5.555 1.00 . A A . 5 ASN HB3 1 1 19 6092 1 1 5 ASN HD21 H -0.429 1.776 -7.103 1.00 . A A . 5 ASN HD21 1 1 19 6093 1 1 5 ASN HD22 H -1.730 2.910 -7.176 1.00 . A A . 5 ASN HD22 1 1 19 6094 1 1 5 ASN N N 1.411 1.506 -2.717 1.00 . A A . 5 ASN N 1 1 19 6095 1 1 5 ASN ND2 N -0.958 2.509 -6.725 1.00 . A A . 5 ASN ND2 1 1 19 6096 1 1 5 ASN O O -1.421 0.211 -4.568 1.00 . A A . 5 ASN O 1 1 19 6097 1 1 5 ASN OD1 O -1.217 3.903 -4.985 1.00 . A A . 5 ASN OD1 1 1 19 6098 1 1 6 ASP C C -1.254 -2.550 -2.334 1.00 . A A . 6 ASP C 1 1 19 6099 1 1 6 ASP CA C -0.373 -2.126 -3.508 1.00 . A A . 6 ASP CA 1 1 19 6100 1 1 6 ASP CB C 0.787 -3.114 -3.685 1.00 . A A . 6 ASP CB 1 1 19 6101 1 1 6 ASP CG C 0.331 -4.561 -3.728 1.00 . A A . 6 ASP CG 1 1 19 6102 1 1 6 ASP H H 0.940 -0.662 -2.741 1.00 . A A . 6 ASP H 1 1 19 6103 1 1 6 ASP HA H -0.969 -2.117 -4.408 1.00 . A A . 6 ASP HA 1 1 19 6104 1 1 6 ASP HB2 H 1.298 -2.894 -4.610 1.00 . A A . 6 ASP HB2 1 1 19 6105 1 1 6 ASP HB3 H 1.477 -2.998 -2.861 1.00 . A A . 6 ASP HB3 1 1 19 6106 1 1 6 ASP N N 0.149 -0.781 -3.301 1.00 . A A . 6 ASP N 1 1 19 6107 1 1 6 ASP O O -0.988 -2.186 -1.188 1.00 . A A . 6 ASP O 1 1 19 6108 1 1 6 ASP OD1 O 0.098 -5.142 -2.647 1.00 . A A . 6 ASP OD1 1 1 19 6109 1 1 6 ASP OD2 O 0.208 -5.113 -4.841 1.00 . A A . 6 ASP OD2 1 1 19 6110 1 1 7 PRO C C -2.516 -4.277 -0.314 1.00 . A A . 7 PRO C 1 1 19 6111 1 1 7 PRO CA C -3.240 -3.805 -1.573 1.00 . A A . 7 PRO CA 1 1 19 6112 1 1 7 PRO CB C -3.972 -4.979 -2.249 1.00 . A A . 7 PRO CB 1 1 19 6113 1 1 7 PRO CD C -2.714 -3.811 -3.929 1.00 . A A . 7 PRO CD 1 1 19 6114 1 1 7 PRO CG C -3.353 -5.130 -3.606 1.00 . A A . 7 PRO CG 1 1 19 6115 1 1 7 PRO HA H -3.955 -3.042 -1.305 1.00 . A A . 7 PRO HA 1 1 19 6116 1 1 7 PRO HB2 H -3.840 -5.873 -1.658 1.00 . A A . 7 PRO HB2 1 1 19 6117 1 1 7 PRO HB3 H -5.025 -4.748 -2.323 1.00 . A A . 7 PRO HB3 1 1 19 6118 1 1 7 PRO HD2 H -1.857 -3.949 -4.568 1.00 . A A . 7 PRO HD2 1 1 19 6119 1 1 7 PRO HD3 H -3.429 -3.144 -4.386 1.00 . A A . 7 PRO HD3 1 1 19 6120 1 1 7 PRO HG2 H -2.607 -5.910 -3.583 1.00 . A A . 7 PRO HG2 1 1 19 6121 1 1 7 PRO HG3 H -4.117 -5.363 -4.332 1.00 . A A . 7 PRO HG3 1 1 19 6122 1 1 7 PRO N N -2.317 -3.328 -2.604 1.00 . A A . 7 PRO N 1 1 19 6123 1 1 7 PRO O O -1.715 -5.211 -0.359 1.00 . A A . 7 PRO O 1 1 19 6124 1 1 8 CYS C C -2.072 -5.456 2.291 1.00 . A A . 8 CYS C 1 1 19 6125 1 1 8 CYS CA C -2.196 -3.943 2.092 1.00 . A A . 8 CYS CA 1 1 19 6126 1 1 8 CYS CB C -3.027 -3.340 3.227 1.00 . A A . 8 CYS CB 1 1 19 6127 1 1 8 CYS H H -3.450 -2.880 0.760 1.00 . A A . 8 CYS H 1 1 19 6128 1 1 8 CYS HA H -1.211 -3.505 2.110 1.00 . A A . 8 CYS HA 1 1 19 6129 1 1 8 CYS HB2 H -3.506 -2.441 2.873 1.00 . A A . 8 CYS HB2 1 1 19 6130 1 1 8 CYS HB3 H -3.784 -4.052 3.524 1.00 . A A . 8 CYS HB3 1 1 19 6131 1 1 8 CYS N N -2.807 -3.616 0.803 1.00 . A A . 8 CYS N 1 1 19 6132 1 1 8 CYS O O -3.010 -6.204 2.017 1.00 . A A . 8 CYS O 1 1 19 6133 1 1 8 CYS SG S -2.070 -2.908 4.697 1.00 . A A . 8 CYS SG 1 1 19 6134 1 1 9 PRO C C -1.577 -7.932 4.088 1.00 . A A . 9 PRO C 1 1 19 6135 1 1 9 PRO CA C -0.667 -7.355 3.007 1.00 . A A . 9 PRO CA 1 1 19 6136 1 1 9 PRO CB C 0.797 -7.409 3.460 1.00 . A A . 9 PRO CB 1 1 19 6137 1 1 9 PRO CD C 0.268 -5.108 3.128 1.00 . A A . 9 PRO CD 1 1 19 6138 1 1 9 PRO CG C 1.094 -6.040 3.964 1.00 . A A . 9 PRO CG 1 1 19 6139 1 1 9 PRO HA H -0.785 -7.928 2.099 1.00 . A A . 9 PRO HA 1 1 19 6140 1 1 9 PRO HB2 H 0.909 -8.149 4.238 1.00 . A A . 9 PRO HB2 1 1 19 6141 1 1 9 PRO HB3 H 1.427 -7.663 2.620 1.00 . A A . 9 PRO HB3 1 1 19 6142 1 1 9 PRO HD2 H -0.023 -4.242 3.703 1.00 . A A . 9 PRO HD2 1 1 19 6143 1 1 9 PRO HD3 H 0.812 -4.811 2.244 1.00 . A A . 9 PRO HD3 1 1 19 6144 1 1 9 PRO HG2 H 0.812 -5.962 5.004 1.00 . A A . 9 PRO HG2 1 1 19 6145 1 1 9 PRO HG3 H 2.145 -5.823 3.842 1.00 . A A . 9 PRO HG3 1 1 19 6146 1 1 9 PRO N N -0.906 -5.926 2.774 1.00 . A A . 9 PRO N 1 1 19 6147 1 1 9 PRO O O -1.797 -9.142 4.144 1.00 . A A . 9 PRO O 1 1 19 6148 1 1 10 CYS C C -4.184 -8.267 5.479 1.00 . A A . 10 CYS C 1 1 19 6149 1 1 10 CYS CA C -2.987 -7.494 6.027 1.00 . A A . 10 CYS CA 1 1 19 6150 1 1 10 CYS CB C -3.467 -6.287 6.837 1.00 . A A . 10 CYS CB 1 1 19 6151 1 1 10 CYS H H -1.890 -6.110 4.855 1.00 . A A . 10 CYS H 1 1 19 6152 1 1 10 CYS HA H -2.420 -8.147 6.674 1.00 . A A . 10 CYS HA 1 1 19 6153 1 1 10 CYS HB2 H -4.000 -6.638 7.707 1.00 . A A . 10 CYS HB2 1 1 19 6154 1 1 10 CYS HB3 H -2.609 -5.714 7.155 1.00 . A A . 10 CYS HB3 1 1 19 6155 1 1 10 CYS N N -2.103 -7.063 4.947 1.00 . A A . 10 CYS N 1 1 19 6156 1 1 10 CYS O O -4.720 -9.154 6.144 1.00 . A A . 10 CYS O 1 1 19 6157 1 1 10 CYS SG S -4.568 -5.173 5.932 1.00 . A A . 10 CYS SG 1 1 19 6158 1 1 11 GLY C C -7.052 -7.949 4.000 1.00 . A A . 11 GLY C 1 1 19 6159 1 1 11 GLY CA C -5.727 -8.598 3.648 1.00 . A A . 11 GLY CA 1 1 19 6160 1 1 11 GLY H H -4.132 -7.212 3.779 1.00 . A A . 11 GLY H 1 1 19 6161 1 1 11 GLY HA2 H -5.603 -8.578 2.575 1.00 . A A . 11 GLY HA2 1 1 19 6162 1 1 11 GLY HA3 H -5.743 -9.626 3.979 1.00 . A A . 11 GLY HA3 1 1 19 6163 1 1 11 GLY N N -4.597 -7.925 4.264 1.00 . A A . 11 GLY N 1 1 19 6164 1 1 11 GLY O O -8.068 -8.631 4.129 1.00 . A A . 11 GLY O 1 1 19 6165 1 1 12 SER C C -8.986 -5.448 3.233 1.00 . A A . 12 SER C 1 1 19 6166 1 1 12 SER CA C -8.250 -5.889 4.493 1.00 . A A . 12 SER CA 1 1 19 6167 1 1 12 SER CB C -7.905 -4.669 5.349 1.00 . A A . 12 SER CB 1 1 19 6168 1 1 12 SER H H -6.198 -6.142 4.038 1.00 . A A . 12 SER H 1 1 19 6169 1 1 12 SER HA H -8.893 -6.545 5.060 1.00 . A A . 12 SER HA 1 1 19 6170 1 1 12 SER HB2 H -6.942 -4.284 5.052 1.00 . A A . 12 SER HB2 1 1 19 6171 1 1 12 SER HB3 H -8.657 -3.907 5.204 1.00 . A A . 12 SER HB3 1 1 19 6172 1 1 12 SER HG H -7.148 -5.637 6.875 1.00 . A A . 12 SER HG 1 1 19 6173 1 1 12 SER N N -7.040 -6.630 4.154 1.00 . A A . 12 SER N 1 1 19 6174 1 1 12 SER O O -10.217 -5.416 3.199 1.00 . A A . 12 SER O 1 1 19 6175 1 1 12 SER OG O -7.858 -5.007 6.724 1.00 . A A . 12 SER OG 1 1 19 6176 1 1 13 GLY C C -8.249 -3.355 0.462 1.00 . A A . 13 GLY C 1 1 19 6177 1 1 13 GLY CA C -8.820 -4.672 0.948 1.00 . A A . 13 GLY CA 1 1 19 6178 1 1 13 GLY H H -7.250 -5.153 2.283 1.00 . A A . 13 GLY H 1 1 19 6179 1 1 13 GLY HA2 H -8.645 -5.428 0.196 1.00 . A A . 13 GLY HA2 1 1 19 6180 1 1 13 GLY HA3 H -9.885 -4.559 1.088 1.00 . A A . 13 GLY HA3 1 1 19 6181 1 1 13 GLY N N -8.224 -5.107 2.198 1.00 . A A . 13 GLY N 1 1 19 6182 1 1 13 GLY O O -8.215 -3.090 -0.740 1.00 . A A . 13 GLY O 1 1 19 6183 1 1 14 LYS C C -5.723 -1.348 0.819 1.00 . A A . 14 LYS C 1 1 19 6184 1 1 14 LYS CA C -7.224 -1.231 1.063 1.00 . A A . 14 LYS CA 1 1 19 6185 1 1 14 LYS CB C -7.491 -0.226 2.185 1.00 . A A . 14 LYS CB 1 1 19 6186 1 1 14 LYS CD C -9.277 1.306 3.075 1.00 . A A . 14 LYS CD 1 1 19 6187 1 1 14 LYS CE C -9.648 1.256 4.549 1.00 . A A . 14 LYS CE 1 1 19 6188 1 1 14 LYS CG C -8.964 -0.080 2.530 1.00 . A A . 14 LYS CG 1 1 19 6189 1 1 14 LYS H H -7.852 -2.797 2.340 1.00 . A A . 14 LYS H 1 1 19 6190 1 1 14 LYS HA H -7.698 -0.882 0.159 1.00 . A A . 14 LYS HA 1 1 19 6191 1 1 14 LYS HB2 H -6.965 -0.547 3.074 1.00 . A A . 14 LYS HB2 1 1 19 6192 1 1 14 LYS HB3 H -7.115 0.740 1.885 1.00 . A A . 14 LYS HB3 1 1 19 6193 1 1 14 LYS HD2 H -8.408 1.936 2.956 1.00 . A A . 14 LYS HD2 1 1 19 6194 1 1 14 LYS HD3 H -10.103 1.723 2.519 1.00 . A A . 14 LYS HD3 1 1 19 6195 1 1 14 LYS HE2 H -9.984 0.258 4.788 1.00 . A A . 14 LYS HE2 1 1 19 6196 1 1 14 LYS HE3 H -8.772 1.490 5.136 1.00 . A A . 14 LYS HE3 1 1 19 6197 1 1 14 LYS HG2 H -9.550 -0.242 1.637 1.00 . A A . 14 LYS HG2 1 1 19 6198 1 1 14 LYS HG3 H -9.225 -0.817 3.274 1.00 . A A . 14 LYS HG3 1 1 19 6199 1 1 14 LYS HZ1 H -11.658 1.760 4.812 1.00 . A A . 14 LYS HZ1 1 1 19 6200 1 1 14 LYS HZ2 H -10.705 3.028 4.225 1.00 . A A . 14 LYS HZ2 1 1 19 6201 1 1 14 LYS HZ3 H -10.604 2.579 5.852 1.00 . A A . 14 LYS HZ3 1 1 19 6202 1 1 14 LYS N N -7.797 -2.528 1.400 1.00 . A A . 14 LYS N 1 1 19 6203 1 1 14 LYS NZ N -10.729 2.223 4.883 1.00 . A A . 14 LYS NZ 1 1 19 6204 1 1 14 LYS O O -5.096 -2.334 1.205 1.00 . A A . 14 LYS O 1 1 19 6205 1 1 15 LYS C C -2.938 0.231 1.079 1.00 . A A . 15 LYS C 1 1 19 6206 1 1 15 LYS CA C -3.722 -0.320 -0.106 1.00 . A A . 15 LYS CA 1 1 19 6207 1 1 15 LYS CB C -3.422 0.503 -1.364 1.00 . A A . 15 LYS CB 1 1 19 6208 1 1 15 LYS CD C -5.456 1.558 -2.404 1.00 . A A . 15 LYS CD 1 1 19 6209 1 1 15 LYS CE C -5.024 1.155 -3.805 1.00 . A A . 15 LYS CE 1 1 19 6210 1 1 15 LYS CG C -4.257 1.767 -1.489 1.00 . A A . 15 LYS CG 1 1 19 6211 1 1 15 LYS H H -5.703 0.428 -0.095 1.00 . A A . 15 LYS H 1 1 19 6212 1 1 15 LYS HA H -3.414 -1.340 -0.279 1.00 . A A . 15 LYS HA 1 1 19 6213 1 1 15 LYS HB2 H -2.381 0.788 -1.352 1.00 . A A . 15 LYS HB2 1 1 19 6214 1 1 15 LYS HB3 H -3.605 -0.112 -2.233 1.00 . A A . 15 LYS HB3 1 1 19 6215 1 1 15 LYS HD2 H -6.078 0.778 -1.993 1.00 . A A . 15 LYS HD2 1 1 19 6216 1 1 15 LYS HD3 H -6.017 2.478 -2.460 1.00 . A A . 15 LYS HD3 1 1 19 6217 1 1 15 LYS HE2 H -4.079 1.627 -4.027 1.00 . A A . 15 LYS HE2 1 1 19 6218 1 1 15 LYS HE3 H -4.907 0.082 -3.836 1.00 . A A . 15 LYS HE3 1 1 19 6219 1 1 15 LYS HG2 H -4.611 2.050 -0.511 1.00 . A A . 15 LYS HG2 1 1 19 6220 1 1 15 LYS HG3 H -3.641 2.556 -1.895 1.00 . A A . 15 LYS HG3 1 1 19 6221 1 1 15 LYS HZ1 H -5.735 2.464 -5.271 1.00 . A A . 15 LYS HZ1 1 1 19 6222 1 1 15 LYS HZ2 H -6.957 1.689 -4.394 1.00 . A A . 15 LYS HZ2 1 1 19 6223 1 1 15 LYS HZ3 H -6.092 0.837 -5.572 1.00 . A A . 15 LYS HZ3 1 1 19 6224 1 1 15 LYS N N -5.151 -0.331 0.182 1.00 . A A . 15 LYS N 1 1 19 6225 1 1 15 LYS NZ N -6.022 1.565 -4.833 1.00 . A A . 15 LYS NZ 1 1 19 6226 1 1 15 LYS O O -3.494 0.912 1.940 1.00 . A A . 15 LYS O 1 1 19 6227 1 1 16 TYR C C -1.016 1.844 2.551 1.00 . A A . 16 TYR C 1 1 19 6228 1 1 16 TYR CA C -0.770 0.376 2.199 1.00 . A A . 16 TYR CA 1 1 19 6229 1 1 16 TYR CB C 0.691 0.182 1.789 1.00 . A A . 16 TYR CB 1 1 19 6230 1 1 16 TYR CD1 C 1.061 -1.492 3.648 1.00 . A A . 16 TYR CD1 1 1 19 6231 1 1 16 TYR CD2 C 2.870 -0.066 3.035 1.00 . A A . 16 TYR CD2 1 1 19 6232 1 1 16 TYR CE1 C 1.850 -2.087 4.613 1.00 . A A . 16 TYR CE1 1 1 19 6233 1 1 16 TYR CE2 C 3.667 -0.657 3.999 1.00 . A A . 16 TYR CE2 1 1 19 6234 1 1 16 TYR CG C 1.555 -0.472 2.845 1.00 . A A . 16 TYR CG 1 1 19 6235 1 1 16 TYR CZ C 3.152 -1.665 4.785 1.00 . A A . 16 TYR CZ 1 1 19 6236 1 1 16 TYR H H -1.263 -0.629 0.404 1.00 . A A . 16 TYR H 1 1 19 6237 1 1 16 TYR HA H -0.975 -0.229 3.067 1.00 . A A . 16 TYR HA 1 1 19 6238 1 1 16 TYR HB2 H 0.727 -0.437 0.905 1.00 . A A . 16 TYR HB2 1 1 19 6239 1 1 16 TYR HB3 H 1.120 1.146 1.562 1.00 . A A . 16 TYR HB3 1 1 19 6240 1 1 16 TYR HD1 H 0.041 -1.821 3.512 1.00 . A A . 16 TYR HD1 1 1 19 6241 1 1 16 TYR HD2 H 3.273 0.723 2.413 1.00 . A A . 16 TYR HD2 1 1 19 6242 1 1 16 TYR HE1 H 1.448 -2.879 5.227 1.00 . A A . 16 TYR HE1 1 1 19 6243 1 1 16 TYR HE2 H 4.686 -0.326 4.132 1.00 . A A . 16 TYR HE2 1 1 19 6244 1 1 16 TYR HH H 4.104 -3.172 5.507 1.00 . A A . 16 TYR HH 1 1 19 6245 1 1 16 TYR N N -1.645 -0.076 1.119 1.00 . A A . 16 TYR N 1 1 19 6246 1 1 16 TYR O O -1.397 2.168 3.676 1.00 . A A . 16 TYR O 1 1 19 6247 1 1 16 TYR OH O 3.942 -2.257 5.744 1.00 . A A . 16 TYR OH 1 1 19 6248 1 1 17 LYS C C -2.300 4.489 2.446 1.00 . A A . 17 LYS C 1 1 19 6249 1 1 17 LYS CA C -0.959 4.165 1.788 1.00 . A A . 17 LYS CA 1 1 19 6250 1 1 17 LYS CB C -0.852 4.903 0.451 1.00 . A A . 17 LYS CB 1 1 19 6251 1 1 17 LYS CD C -2.292 5.774 -1.416 1.00 . A A . 17 LYS CD 1 1 19 6252 1 1 17 LYS CE C -1.241 5.936 -2.501 1.00 . A A . 17 LYS CE 1 1 19 6253 1 1 17 LYS CG C -1.985 4.589 -0.515 1.00 . A A . 17 LYS CG 1 1 19 6254 1 1 17 LYS H H -0.470 2.407 0.714 1.00 . A A . 17 LYS H 1 1 19 6255 1 1 17 LYS HA H -0.166 4.506 2.436 1.00 . A A . 17 LYS HA 1 1 19 6256 1 1 17 LYS HB2 H -0.852 5.966 0.639 1.00 . A A . 17 LYS HB2 1 1 19 6257 1 1 17 LYS HB3 H 0.081 4.631 -0.022 1.00 . A A . 17 LYS HB3 1 1 19 6258 1 1 17 LYS HD2 H -3.254 5.620 -1.882 1.00 . A A . 17 LYS HD2 1 1 19 6259 1 1 17 LYS HD3 H -2.320 6.672 -0.816 1.00 . A A . 17 LYS HD3 1 1 19 6260 1 1 17 LYS HE2 H -0.313 6.247 -2.044 1.00 . A A . 17 LYS HE2 1 1 19 6261 1 1 17 LYS HE3 H -1.098 4.984 -2.992 1.00 . A A . 17 LYS HE3 1 1 19 6262 1 1 17 LYS HG2 H -1.700 3.748 -1.129 1.00 . A A . 17 LYS HG2 1 1 19 6263 1 1 17 LYS HG3 H -2.871 4.340 0.051 1.00 . A A . 17 LYS HG3 1 1 19 6264 1 1 17 LYS HZ1 H -1.178 6.748 -4.425 1.00 . A A . 17 LYS HZ1 1 1 19 6265 1 1 17 LYS HZ2 H -1.363 7.901 -3.202 1.00 . A A . 17 LYS HZ2 1 1 19 6266 1 1 17 LYS HZ3 H -2.672 6.930 -3.653 1.00 . A A . 17 LYS HZ3 1 1 19 6267 1 1 17 LYS N N -0.781 2.728 1.586 1.00 . A A . 17 LYS N 1 1 19 6268 1 1 17 LYS NZ N -1.641 6.949 -3.516 1.00 . A A . 17 LYS NZ 1 1 19 6269 1 1 17 LYS O O -2.437 5.509 3.123 1.00 . A A . 17 LYS O 1 1 19 6270 1 1 18 GLN C C -4.786 3.110 4.127 1.00 . A A . 18 GLN C 1 1 19 6271 1 1 18 GLN CA C -4.616 3.841 2.801 1.00 . A A . 18 GLN CA 1 1 19 6272 1 1 18 GLN CB C -5.687 3.368 1.817 1.00 . A A . 18 GLN CB 1 1 19 6273 1 1 18 GLN CD C -7.969 3.781 0.817 1.00 . A A . 18 GLN CD 1 1 19 6274 1 1 18 GLN CG C -6.836 4.347 1.652 1.00 . A A . 18 GLN CG 1 1 19 6275 1 1 18 GLN H H -3.125 2.838 1.679 1.00 . A A . 18 GLN H 1 1 19 6276 1 1 18 GLN HA H -4.740 4.900 2.968 1.00 . A A . 18 GLN HA 1 1 19 6277 1 1 18 GLN HB2 H -5.230 3.218 0.852 1.00 . A A . 18 GLN HB2 1 1 19 6278 1 1 18 GLN HB3 H -6.090 2.425 2.166 1.00 . A A . 18 GLN HB3 1 1 19 6279 1 1 18 GLN HE21 H -9.292 4.321 2.200 1.00 . A A . 18 GLN HE21 1 1 19 6280 1 1 18 GLN HE22 H -9.941 3.533 0.808 1.00 . A A . 18 GLN HE22 1 1 19 6281 1 1 18 GLN HG2 H -7.221 4.600 2.628 1.00 . A A . 18 GLN HG2 1 1 19 6282 1 1 18 GLN HG3 H -6.463 5.239 1.170 1.00 . A A . 18 GLN HG3 1 1 19 6283 1 1 18 GLN N N -3.288 3.629 2.236 1.00 . A A . 18 GLN N 1 1 19 6284 1 1 18 GLN NE2 N -9.190 3.889 1.326 1.00 . A A . 18 GLN NE2 1 1 19 6285 1 1 18 GLN O O -5.452 3.604 5.037 1.00 . A A . 18 GLN O 1 1 19 6286 1 1 18 GLN OE1 O -7.749 3.254 -0.273 1.00 . A A . 18 GLN OE1 1 1 19 6287 1 1 19 CYS C C -3.055 1.249 6.310 1.00 . A A . 19 CYS C 1 1 19 6288 1 1 19 CYS CA C -4.309 1.120 5.431 1.00 . A A . 19 CYS CA 1 1 19 6289 1 1 19 CYS CB C -4.588 -0.335 5.042 1.00 . A A . 19 CYS CB 1 1 19 6290 1 1 19 CYS H H -3.695 1.577 3.459 1.00 . A A . 19 CYS H 1 1 19 6291 1 1 19 CYS HA H -5.154 1.493 5.990 1.00 . A A . 19 CYS HA 1 1 19 6292 1 1 19 CYS HB2 H -5.321 -0.347 4.247 1.00 . A A . 19 CYS HB2 1 1 19 6293 1 1 19 CYS HB3 H -3.675 -0.787 4.685 1.00 . A A . 19 CYS HB3 1 1 19 6294 1 1 19 CYS N N -4.200 1.925 4.223 1.00 . A A . 19 CYS N 1 1 19 6295 1 1 19 CYS O O -2.724 2.347 6.757 1.00 . A A . 19 CYS O 1 1 19 6296 1 1 19 CYS SG S -5.225 -1.355 6.393 1.00 . A A . 19 CYS SG 1 1 19 6297 1 1 20 HIS C C -0.110 1.106 6.853 1.00 . A A . 20 HIS C 1 1 19 6298 1 1 20 HIS CA C -1.169 0.158 7.408 1.00 . A A . 20 HIS CA 1 1 19 6299 1 1 20 HIS CB C -0.586 -1.251 7.539 1.00 . A A . 20 HIS CB 1 1 19 6300 1 1 20 HIS CD2 C -1.169 -2.285 9.831 1.00 . A A . 20 HIS CD2 1 1 19 6301 1 1 20 HIS CE1 C -2.813 -3.545 9.154 1.00 . A A . 20 HIS CE1 1 1 19 6302 1 1 20 HIS CG C -1.339 -2.123 8.496 1.00 . A A . 20 HIS CG 1 1 19 6303 1 1 20 HIS H H -2.669 -0.717 6.203 1.00 . A A . 20 HIS H 1 1 19 6304 1 1 20 HIS HA H -1.462 0.504 8.388 1.00 . A A . 20 HIS HA 1 1 19 6305 1 1 20 HIS HB2 H -0.601 -1.729 6.572 1.00 . A A . 20 HIS HB2 1 1 19 6306 1 1 20 HIS HB3 H 0.433 -1.180 7.886 1.00 . A A . 20 HIS HB3 1 1 19 6307 1 1 20 HIS HD2 H -0.435 -1.795 10.454 1.00 . A A . 20 HIS HD2 1 1 19 6308 1 1 20 HIS HE1 H -3.630 -4.251 9.159 1.00 . A A . 20 HIS HE1 1 1 19 6309 1 1 20 HIS HE2 H -2.357 -3.383 11.172 1.00 . A A . 20 HIS HE2 1 1 19 6310 1 1 20 HIS N N -2.365 0.136 6.570 1.00 . A A . 20 HIS N 1 1 19 6311 1 1 20 HIS ND1 N -2.377 -2.920 8.076 1.00 . A A . 20 HIS ND1 1 1 19 6312 1 1 20 HIS NE2 N -2.113 -3.192 10.243 1.00 . A A . 20 HIS NE2 1 1 19 6313 1 1 20 HIS O O 0.461 1.909 7.591 1.00 . A A . 20 HIS O 1 1 19 6314 1 1 21 GLY C C 1.005 3.320 5.312 1.00 . A A . 21 GLY C 1 1 19 6315 1 1 21 GLY CA C 1.152 1.859 4.928 1.00 . A A . 21 GLY CA 1 1 19 6316 1 1 21 GLY H H -0.328 0.344 5.015 1.00 . A A . 21 GLY H 1 1 19 6317 1 1 21 GLY HA2 H 2.134 1.520 5.226 1.00 . A A . 21 GLY HA2 1 1 19 6318 1 1 21 GLY HA3 H 1.064 1.770 3.856 1.00 . A A . 21 GLY HA3 1 1 19 6319 1 1 21 GLY N N 0.153 1.005 5.554 1.00 . A A . 21 GLY N 1 1 19 6320 1 1 21 GLY O O 1.990 3.986 5.629 1.00 . A A . 21 GLY O 1 1 19 6321 1 1 22 ARG C C 0.208 6.160 4.673 1.00 . A A . 22 ARG C 1 1 19 6322 1 1 22 ARG CA C -0.499 5.208 5.633 1.00 . A A . 22 ARG CA 1 1 19 6323 1 1 22 ARG CB C -0.058 5.491 7.072 1.00 . A A . 22 ARG CB 1 1 19 6324 1 1 22 ARG CD C -0.679 5.168 9.488 1.00 . A A . 22 ARG CD 1 1 19 6325 1 1 22 ARG CG C -1.194 5.426 8.080 1.00 . A A . 22 ARG CG 1 1 19 6326 1 1 22 ARG CZ C -2.439 3.824 10.568 1.00 . A A . 22 ARG CZ 1 1 19 6327 1 1 22 ARG H H -0.971 3.236 5.024 1.00 . A A . 22 ARG H 1 1 19 6328 1 1 22 ARG HA H -1.565 5.367 5.555 1.00 . A A . 22 ARG HA 1 1 19 6329 1 1 22 ARG HB2 H 0.689 4.766 7.356 1.00 . A A . 22 ARG HB2 1 1 19 6330 1 1 22 ARG HB3 H 0.376 6.480 7.116 1.00 . A A . 22 ARG HB3 1 1 19 6331 1 1 22 ARG HD2 H 0.398 5.098 9.458 1.00 . A A . 22 ARG HD2 1 1 19 6332 1 1 22 ARG HD3 H -0.967 5.995 10.120 1.00 . A A . 22 ARG HD3 1 1 19 6333 1 1 22 ARG HE H -0.639 3.141 10.041 1.00 . A A . 22 ARG HE 1 1 19 6334 1 1 22 ARG HG2 H -1.727 6.365 8.070 1.00 . A A . 22 ARG HG2 1 1 19 6335 1 1 22 ARG HG3 H -1.866 4.627 7.800 1.00 . A A . 22 ARG HG3 1 1 19 6336 1 1 22 ARG HH11 H -2.947 5.752 10.230 1.00 . A A . 22 ARG HH11 1 1 19 6337 1 1 22 ARG HH12 H -4.167 4.785 10.988 1.00 . A A . 22 ARG HH12 1 1 19 6338 1 1 22 ARG HH21 H -2.243 1.868 11.038 1.00 . A A . 22 ARG HH21 1 1 19 6339 1 1 22 ARG HH22 H -3.768 2.580 11.448 1.00 . A A . 22 ARG HH22 1 1 19 6340 1 1 22 ARG N N -0.228 3.819 5.284 1.00 . A A . 22 ARG N 1 1 19 6341 1 1 22 ARG NE N -1.218 3.931 10.050 1.00 . A A . 22 ARG NE 1 1 19 6342 1 1 22 ARG NH1 N -3.251 4.874 10.599 1.00 . A A . 22 ARG NH1 1 1 19 6343 1 1 22 ARG NH2 N -2.850 2.662 11.058 1.00 . A A . 22 ARG NH2 1 1 19 6344 1 1 22 ARG O O -0.490 6.841 3.893 1.00 . A A . 22 ARG O 1 1 19 6345 1 1 22 ARG OXT O 1.455 6.220 4.711 1.00 . A A . 22 ARG OXT 1 1 19 6346 2 2 1 ZN ZN ZN -3.623 -3.081 6.462 1.00 . B A . 23 ZN ZN 1 1 20 6347 1 1 1 LYS C C 8.596 -3.013 0.397 1.00 . A A . 1 LYS C 1 1 20 6348 1 1 1 LYS CA C 9.780 -2.509 1.218 1.00 . A A . 1 LYS CA 1 1 20 6349 1 1 1 LYS CB C 11.093 -3.031 0.632 1.00 . A A . 1 LYS CB 1 1 20 6350 1 1 1 LYS CD C 13.495 -2.940 1.373 1.00 . A A . 1 LYS CD 1 1 20 6351 1 1 1 LYS CE C 13.510 -3.125 2.882 1.00 . A A . 1 LYS CE 1 1 20 6352 1 1 1 LYS CG C 12.286 -2.135 0.922 1.00 . A A . 1 LYS CG 1 1 20 6353 1 1 1 LYS H1 H 10.371 -2.410 3.185 1.00 . A A . 1 LYS H1 1 1 20 6354 1 1 1 LYS H2 H 9.900 -3.975 2.657 1.00 . A A . 1 LYS H2 1 1 20 6355 1 1 1 LYS H3 H 8.711 -2.774 2.956 1.00 . A A . 1 LYS H3 1 1 20 6356 1 1 1 LYS HA H 9.787 -1.430 1.199 1.00 . A A . 1 LYS HA 1 1 20 6357 1 1 1 LYS HB2 H 11.294 -4.009 1.044 1.00 . A A . 1 LYS HB2 1 1 20 6358 1 1 1 LYS HB3 H 10.987 -3.117 -0.440 1.00 . A A . 1 LYS HB3 1 1 20 6359 1 1 1 LYS HD2 H 13.465 -3.912 0.903 1.00 . A A . 1 LYS HD2 1 1 20 6360 1 1 1 LYS HD3 H 14.394 -2.421 1.073 1.00 . A A . 1 LYS HD3 1 1 20 6361 1 1 1 LYS HE2 H 14.527 -3.035 3.233 1.00 . A A . 1 LYS HE2 1 1 20 6362 1 1 1 LYS HE3 H 12.904 -2.352 3.332 1.00 . A A . 1 LYS HE3 1 1 20 6363 1 1 1 LYS HG2 H 12.544 -1.593 0.024 1.00 . A A . 1 LYS HG2 1 1 20 6364 1 1 1 LYS HG3 H 12.019 -1.437 1.701 1.00 . A A . 1 LYS HG3 1 1 20 6365 1 1 1 LYS HZ1 H 13.436 -4.775 4.161 1.00 . A A . 1 LYS HZ1 1 1 20 6366 1 1 1 LYS HZ2 H 13.160 -5.155 2.537 1.00 . A A . 1 LYS HZ2 1 1 20 6367 1 1 1 LYS HZ3 H 11.951 -4.396 3.443 1.00 . A A . 1 LYS HZ3 1 1 20 6368 1 1 1 LYS N N 9.681 -2.957 2.631 1.00 . A A . 1 LYS N 1 1 20 6369 1 1 1 LYS NZ N 12.977 -4.456 3.284 1.00 . A A . 1 LYS NZ 1 1 20 6370 1 1 1 LYS O O 8.771 -3.700 -0.610 1.00 . A A . 1 LYS O 1 1 20 6371 1 1 2 VAL C C 5.593 -1.942 -0.677 1.00 . A A . 2 VAL C 1 1 20 6372 1 1 2 VAL CA C 6.177 -3.084 0.143 1.00 . A A . 2 VAL CA 1 1 20 6373 1 1 2 VAL CB C 5.104 -3.580 1.133 1.00 . A A . 2 VAL CB 1 1 20 6374 1 1 2 VAL CG1 C 4.689 -2.461 2.079 1.00 . A A . 2 VAL CG1 1 1 20 6375 1 1 2 VAL CG2 C 3.896 -4.129 0.387 1.00 . A A . 2 VAL CG2 1 1 20 6376 1 1 2 VAL H H 7.315 -2.118 1.644 1.00 . A A . 2 VAL H 1 1 20 6377 1 1 2 VAL HA H 6.431 -3.899 -0.519 1.00 . A A . 2 VAL HA 1 1 20 6378 1 1 2 VAL HB H 5.529 -4.379 1.723 1.00 . A A . 2 VAL HB 1 1 20 6379 1 1 2 VAL HG11 H 4.216 -1.668 1.516 1.00 . A A . 2 VAL HG11 1 1 20 6380 1 1 2 VAL HG12 H 5.561 -2.073 2.582 1.00 . A A . 2 VAL HG12 1 1 20 6381 1 1 2 VAL HG13 H 3.993 -2.847 2.809 1.00 . A A . 2 VAL HG13 1 1 20 6382 1 1 2 VAL HG21 H 4.176 -4.361 -0.630 1.00 . A A . 2 VAL HG21 1 1 20 6383 1 1 2 VAL HG22 H 3.108 -3.389 0.385 1.00 . A A . 2 VAL HG22 1 1 20 6384 1 1 2 VAL HG23 H 3.547 -5.025 0.878 1.00 . A A . 2 VAL HG23 1 1 20 6385 1 1 2 VAL N N 7.391 -2.667 0.835 1.00 . A A . 2 VAL N 1 1 20 6386 1 1 2 VAL O O 5.541 -0.800 -0.218 1.00 . A A . 2 VAL O 1 1 20 6387 1 1 3 GLY C C 3.359 -0.580 -2.060 1.00 . A A . 3 GLY C 1 1 20 6388 1 1 3 GLY CA C 4.545 -1.238 -2.731 1.00 . A A . 3 GLY CA 1 1 20 6389 1 1 3 GLY H H 5.190 -3.183 -2.197 1.00 . A A . 3 GLY H 1 1 20 6390 1 1 3 GLY HA2 H 5.289 -0.486 -2.951 1.00 . A A . 3 GLY HA2 1 1 20 6391 1 1 3 GLY HA3 H 4.219 -1.693 -3.655 1.00 . A A . 3 GLY HA3 1 1 20 6392 1 1 3 GLY N N 5.137 -2.255 -1.885 1.00 . A A . 3 GLY N 1 1 20 6393 1 1 3 GLY O O 2.258 -1.129 -2.059 1.00 . A A . 3 GLY O 1 1 20 6394 1 1 4 ARG C C 1.255 1.407 -1.589 1.00 . A A . 4 ARG C 1 1 20 6395 1 1 4 ARG CA C 2.535 1.307 -0.760 1.00 . A A . 4 ARG CA 1 1 20 6396 1 1 4 ARG CB C 3.018 2.705 -0.382 1.00 . A A . 4 ARG CB 1 1 20 6397 1 1 4 ARG CD C 2.955 4.572 1.296 1.00 . A A . 4 ARG CD 1 1 20 6398 1 1 4 ARG CG C 2.336 3.256 0.855 1.00 . A A . 4 ARG CG 1 1 20 6399 1 1 4 ARG CZ C 2.448 6.971 1.057 1.00 . A A . 4 ARG CZ 1 1 20 6400 1 1 4 ARG H H 4.492 0.958 -1.479 1.00 . A A . 4 ARG H 1 1 20 6401 1 1 4 ARG HA H 2.319 0.763 0.142 1.00 . A A . 4 ARG HA 1 1 20 6402 1 1 4 ARG HB2 H 4.081 2.671 -0.198 1.00 . A A . 4 ARG HB2 1 1 20 6403 1 1 4 ARG HB3 H 2.824 3.378 -1.204 1.00 . A A . 4 ARG HB3 1 1 20 6404 1 1 4 ARG HD2 H 2.820 4.679 2.362 1.00 . A A . 4 ARG HD2 1 1 20 6405 1 1 4 ARG HD3 H 4.011 4.551 1.068 1.00 . A A . 4 ARG HD3 1 1 20 6406 1 1 4 ARG HE H 1.833 5.542 -0.193 1.00 . A A . 4 ARG HE 1 1 20 6407 1 1 4 ARG HG2 H 1.290 3.415 0.635 1.00 . A A . 4 ARG HG2 1 1 20 6408 1 1 4 ARG HG3 H 2.432 2.536 1.656 1.00 . A A . 4 ARG HG3 1 1 20 6409 1 1 4 ARG HH11 H 3.580 6.511 2.669 1.00 . A A . 4 ARG HH11 1 1 20 6410 1 1 4 ARG HH12 H 3.209 8.191 2.479 1.00 . A A . 4 ARG HH12 1 1 20 6411 1 1 4 ARG HH21 H 1.344 7.752 -0.445 1.00 . A A . 4 ARG HH21 1 1 20 6412 1 1 4 ARG HH22 H 1.939 8.897 0.711 1.00 . A A . 4 ARG HH22 1 1 20 6413 1 1 4 ARG N N 3.587 0.584 -1.463 1.00 . A A . 4 ARG N 1 1 20 6414 1 1 4 ARG NE N 2.346 5.717 0.624 1.00 . A A . 4 ARG NE 1 1 20 6415 1 1 4 ARG NH1 N 3.136 7.247 2.159 1.00 . A A . 4 ARG NH1 1 1 20 6416 1 1 4 ARG NH2 N 1.863 7.954 0.386 1.00 . A A . 4 ARG NH2 1 1 20 6417 1 1 4 ARG O O 0.158 1.504 -1.039 1.00 . A A . 4 ARG O 1 1 20 6418 1 1 5 ASN C C -0.404 0.122 -4.029 1.00 . A A . 5 ASN C 1 1 20 6419 1 1 5 ASN CA C 0.246 1.487 -3.801 1.00 . A A . 5 ASN CA 1 1 20 6420 1 1 5 ASN CB C 0.665 2.095 -5.141 1.00 . A A . 5 ASN CB 1 1 20 6421 1 1 5 ASN CG C -0.492 2.761 -5.860 1.00 . A A . 5 ASN CG 1 1 20 6422 1 1 5 ASN H H 2.296 1.317 -3.291 1.00 . A A . 5 ASN H 1 1 20 6423 1 1 5 ASN HA H -0.474 2.141 -3.332 1.00 . A A . 5 ASN HA 1 1 20 6424 1 1 5 ASN HB2 H 1.431 2.835 -4.970 1.00 . A A . 5 ASN HB2 1 1 20 6425 1 1 5 ASN HB3 H 1.058 1.314 -5.775 1.00 . A A . 5 ASN HB3 1 1 20 6426 1 1 5 ASN HD21 H -0.476 1.340 -7.252 1.00 . A A . 5 ASN HD21 1 1 20 6427 1 1 5 ASN HD22 H -1.669 2.575 -7.451 1.00 . A A . 5 ASN HD22 1 1 20 6428 1 1 5 ASN N N 1.398 1.392 -2.908 1.00 . A A . 5 ASN N 1 1 20 6429 1 1 5 ASN ND2 N -0.923 2.165 -6.967 1.00 . A A . 5 ASN ND2 1 1 20 6430 1 1 5 ASN O O -1.381 0.009 -4.769 1.00 . A A . 5 ASN O 1 1 20 6431 1 1 5 ASN OD1 O -0.993 3.799 -5.427 1.00 . A A . 5 ASN OD1 1 1 20 6432 1 1 6 ASP C C -1.228 -2.640 -2.316 1.00 . A A . 6 ASP C 1 1 20 6433 1 1 6 ASP CA C -0.383 -2.264 -3.531 1.00 . A A . 6 ASP CA 1 1 20 6434 1 1 6 ASP CB C 0.774 -3.256 -3.698 1.00 . A A . 6 ASP CB 1 1 20 6435 1 1 6 ASP CG C 0.321 -4.704 -3.664 1.00 . A A . 6 ASP CG 1 1 20 6436 1 1 6 ASP H H 0.918 -0.761 -2.817 1.00 . A A . 6 ASP H 1 1 20 6437 1 1 6 ASP HA H -1.003 -2.292 -4.413 1.00 . A A . 6 ASP HA 1 1 20 6438 1 1 6 ASP HB2 H 1.259 -3.075 -4.646 1.00 . A A . 6 ASP HB2 1 1 20 6439 1 1 6 ASP HB3 H 1.488 -3.103 -2.902 1.00 . A A . 6 ASP HB3 1 1 20 6440 1 1 6 ASP N N 0.142 -0.911 -3.393 1.00 . A A . 6 ASP N 1 1 20 6441 1 1 6 ASP O O -0.929 -2.234 -1.193 1.00 . A A . 6 ASP O 1 1 20 6442 1 1 6 ASP OD1 O 0.216 -5.267 -2.554 1.00 . A A . 6 ASP OD1 1 1 20 6443 1 1 6 ASP OD2 O 0.074 -5.275 -4.748 1.00 . A A . 6 ASP OD2 1 1 20 6444 1 1 7 PRO C C -2.426 -4.285 -0.195 1.00 . A A . 7 PRO C 1 1 20 6445 1 1 7 PRO CA C -3.190 -3.864 -1.449 1.00 . A A . 7 PRO CA 1 1 20 6446 1 1 7 PRO CB C -3.940 -5.065 -2.055 1.00 . A A . 7 PRO CB 1 1 20 6447 1 1 7 PRO CD C -2.734 -3.961 -3.816 1.00 . A A . 7 PRO CD 1 1 20 6448 1 1 7 PRO CG C -3.372 -5.262 -3.427 1.00 . A A . 7 PRO CG 1 1 20 6449 1 1 7 PRO HA H -3.898 -3.092 -1.189 1.00 . A A . 7 PRO HA 1 1 20 6450 1 1 7 PRO HB2 H -3.781 -5.936 -1.437 1.00 . A A . 7 PRO HB2 1 1 20 6451 1 1 7 PRO HB3 H -4.995 -4.842 -2.098 1.00 . A A . 7 PRO HB3 1 1 20 6452 1 1 7 PRO HD2 H -1.894 -4.129 -4.473 1.00 . A A . 7 PRO HD2 1 1 20 6453 1 1 7 PRO HD3 H -3.457 -3.307 -4.282 1.00 . A A . 7 PRO HD3 1 1 20 6454 1 1 7 PRO HG2 H -2.632 -6.049 -3.407 1.00 . A A . 7 PRO HG2 1 1 20 6455 1 1 7 PRO HG3 H -4.164 -5.511 -4.118 1.00 . A A . 7 PRO HG3 1 1 20 6456 1 1 7 PRO N N -2.299 -3.427 -2.524 1.00 . A A . 7 PRO N 1 1 20 6457 1 1 7 PRO O O -1.609 -5.206 -0.234 1.00 . A A . 7 PRO O 1 1 20 6458 1 1 8 CYS C C -1.893 -5.387 2.421 1.00 . A A . 8 CYS C 1 1 20 6459 1 1 8 CYS CA C -2.048 -3.882 2.193 1.00 . A A . 8 CYS CA 1 1 20 6460 1 1 8 CYS CB C -2.858 -3.265 3.336 1.00 . A A . 8 CYS CB 1 1 20 6461 1 1 8 CYS H H -3.358 -2.875 0.869 1.00 . A A . 8 CYS H 1 1 20 6462 1 1 8 CYS HA H -1.070 -3.428 2.173 1.00 . A A . 8 CYS HA 1 1 20 6463 1 1 8 CYS HB2 H -3.254 -2.314 3.012 1.00 . A A . 8 CYS HB2 1 1 20 6464 1 1 8 CYS HB3 H -3.678 -3.923 3.582 1.00 . A A . 8 CYS HB3 1 1 20 6465 1 1 8 CYS N N -2.700 -3.598 0.913 1.00 . A A . 8 CYS N 1 1 20 6466 1 1 8 CYS O O -2.823 -6.157 2.177 1.00 . A A . 8 CYS O 1 1 20 6467 1 1 8 CYS SG S -1.912 -2.973 4.847 1.00 . A A . 8 CYS SG 1 1 20 6468 1 1 9 PRO C C -1.417 -7.858 4.153 1.00 . A A . 9 PRO C 1 1 20 6469 1 1 9 PRO CA C -0.445 -7.251 3.146 1.00 . A A . 9 PRO CA 1 1 20 6470 1 1 9 PRO CB C 0.985 -7.265 3.703 1.00 . A A . 9 PRO CB 1 1 20 6471 1 1 9 PRO CD C 0.455 -4.990 3.208 1.00 . A A . 9 PRO CD 1 1 20 6472 1 1 9 PRO CG C 1.255 -5.863 4.131 1.00 . A A . 9 PRO CG 1 1 20 6473 1 1 9 PRO HA H -0.479 -7.824 2.231 1.00 . A A . 9 PRO HA 1 1 20 6474 1 1 9 PRO HB2 H 1.039 -7.948 4.538 1.00 . A A . 9 PRO HB2 1 1 20 6475 1 1 9 PRO HB3 H 1.671 -7.579 2.931 1.00 . A A . 9 PRO HB3 1 1 20 6476 1 1 9 PRO HD2 H 0.156 -4.083 3.711 1.00 . A A . 9 PRO HD2 1 1 20 6477 1 1 9 PRO HD3 H 1.021 -4.761 2.318 1.00 . A A . 9 PRO HD3 1 1 20 6478 1 1 9 PRO HG2 H 0.934 -5.722 5.152 1.00 . A A . 9 PRO HG2 1 1 20 6479 1 1 9 PRO HG3 H 2.308 -5.646 4.034 1.00 . A A . 9 PRO HG3 1 1 20 6480 1 1 9 PRO N N -0.711 -5.830 2.891 1.00 . A A . 9 PRO N 1 1 20 6481 1 1 9 PRO O O -1.584 -9.077 4.208 1.00 . A A . 9 PRO O 1 1 20 6482 1 1 10 CYS C C -4.160 -8.231 5.300 1.00 . A A . 10 CYS C 1 1 20 6483 1 1 10 CYS CA C -3.009 -7.472 5.953 1.00 . A A . 10 CYS CA 1 1 20 6484 1 1 10 CYS CB C -3.550 -6.292 6.764 1.00 . A A . 10 CYS CB 1 1 20 6485 1 1 10 CYS H H -1.885 -6.047 4.863 1.00 . A A . 10 CYS H 1 1 20 6486 1 1 10 CYS HA H -2.486 -8.143 6.617 1.00 . A A . 10 CYS HA 1 1 20 6487 1 1 10 CYS HB2 H -4.142 -6.671 7.584 1.00 . A A . 10 CYS HB2 1 1 20 6488 1 1 10 CYS HB3 H -2.719 -5.727 7.160 1.00 . A A . 10 CYS HB3 1 1 20 6489 1 1 10 CYS N N -2.057 -7.007 4.950 1.00 . A A . 10 CYS N 1 1 20 6490 1 1 10 CYS O O -4.724 -9.154 5.890 1.00 . A A . 10 CYS O 1 1 20 6491 1 1 10 CYS SG S -4.590 -5.154 5.820 1.00 . A A . 10 CYS SG 1 1 20 6492 1 1 11 GLY C C -6.946 -7.934 3.723 1.00 . A A . 11 GLY C 1 1 20 6493 1 1 11 GLY CA C -5.585 -8.496 3.362 1.00 . A A . 11 GLY CA 1 1 20 6494 1 1 11 GLY H H -4.018 -7.100 3.654 1.00 . A A . 11 GLY H 1 1 20 6495 1 1 11 GLY HA2 H -5.426 -8.373 2.302 1.00 . A A . 11 GLY HA2 1 1 20 6496 1 1 11 GLY HA3 H -5.569 -9.550 3.599 1.00 . A A . 11 GLY HA3 1 1 20 6497 1 1 11 GLY N N -4.504 -7.841 4.077 1.00 . A A . 11 GLY N 1 1 20 6498 1 1 11 GLY O O -7.932 -8.668 3.780 1.00 . A A . 11 GLY O 1 1 20 6499 1 1 12 SER C C -8.979 -5.472 3.078 1.00 . A A . 12 SER C 1 1 20 6500 1 1 12 SER CA C -8.250 -5.968 4.323 1.00 . A A . 12 SER CA 1 1 20 6501 1 1 12 SER CB C -7.982 -4.797 5.270 1.00 . A A . 12 SER CB 1 1 20 6502 1 1 12 SER H H -6.180 -6.096 3.904 1.00 . A A . 12 SER H 1 1 20 6503 1 1 12 SER HA H -8.876 -6.690 4.827 1.00 . A A . 12 SER HA 1 1 20 6504 1 1 12 SER HB2 H -7.024 -4.358 5.034 1.00 . A A . 12 SER HB2 1 1 20 6505 1 1 12 SER HB3 H -8.757 -4.054 5.150 1.00 . A A . 12 SER HB3 1 1 20 6506 1 1 12 SER HG H -7.067 -5.193 6.957 1.00 . A A . 12 SER HG 1 1 20 6507 1 1 12 SER N N -7.000 -6.628 3.966 1.00 . A A . 12 SER N 1 1 20 6508 1 1 12 SER O O -10.189 -5.648 2.942 1.00 . A A . 12 SER O 1 1 20 6509 1 1 12 SER OG O -7.965 -5.225 6.621 1.00 . A A . 12 SER OG 1 1 20 6510 1 1 13 GLY C C -8.238 -2.993 0.549 1.00 . A A . 13 GLY C 1 1 20 6511 1 1 13 GLY CA C -8.819 -4.335 0.950 1.00 . A A . 13 GLY CA 1 1 20 6512 1 1 13 GLY H H -7.272 -4.738 2.337 1.00 . A A . 13 GLY H 1 1 20 6513 1 1 13 GLY HA2 H -8.645 -5.043 0.154 1.00 . A A . 13 GLY HA2 1 1 20 6514 1 1 13 GLY HA3 H -9.884 -4.225 1.094 1.00 . A A . 13 GLY HA3 1 1 20 6515 1 1 13 GLY N N -8.231 -4.850 2.173 1.00 . A A . 13 GLY N 1 1 20 6516 1 1 13 GLY O O -8.183 -2.661 -0.634 1.00 . A A . 13 GLY O 1 1 20 6517 1 1 14 LYS C C -5.707 -1.008 1.126 1.00 . A A . 14 LYS C 1 1 20 6518 1 1 14 LYS CA C -7.219 -0.909 1.286 1.00 . A A . 14 LYS CA 1 1 20 6519 1 1 14 LYS CB C -7.553 0.049 2.430 1.00 . A A . 14 LYS CB 1 1 20 6520 1 1 14 LYS CD C -9.395 -0.170 4.135 1.00 . A A . 14 LYS CD 1 1 20 6521 1 1 14 LYS CE C -9.709 1.073 4.952 1.00 . A A . 14 LYS CE 1 1 20 6522 1 1 14 LYS CG C -9.045 0.182 2.696 1.00 . A A . 14 LYS CG 1 1 20 6523 1 1 14 LYS H H -7.870 -2.543 2.462 1.00 . A A . 14 LYS H 1 1 20 6524 1 1 14 LYS HA H -7.643 -0.526 0.370 1.00 . A A . 14 LYS HA 1 1 20 6525 1 1 14 LYS HB2 H -7.076 -0.305 3.333 1.00 . A A . 14 LYS HB2 1 1 20 6526 1 1 14 LYS HB3 H -7.166 1.028 2.189 1.00 . A A . 14 LYS HB3 1 1 20 6527 1 1 14 LYS HD2 H -10.260 -0.816 4.137 1.00 . A A . 14 LYS HD2 1 1 20 6528 1 1 14 LYS HD3 H -8.557 -0.684 4.585 1.00 . A A . 14 LYS HD3 1 1 20 6529 1 1 14 LYS HE2 H -9.628 0.829 6.001 1.00 . A A . 14 LYS HE2 1 1 20 6530 1 1 14 LYS HE3 H -8.991 1.841 4.706 1.00 . A A . 14 LYS HE3 1 1 20 6531 1 1 14 LYS HG2 H -9.346 1.200 2.503 1.00 . A A . 14 LYS HG2 1 1 20 6532 1 1 14 LYS HG3 H -9.578 -0.484 2.033 1.00 . A A . 14 LYS HG3 1 1 20 6533 1 1 14 LYS HZ1 H -11.051 2.302 3.925 1.00 . A A . 14 LYS HZ1 1 1 20 6534 1 1 14 LYS HZ2 H -11.478 2.018 5.537 1.00 . A A . 14 LYS HZ2 1 1 20 6535 1 1 14 LYS HZ3 H -11.700 0.806 4.378 1.00 . A A . 14 LYS HZ3 1 1 20 6536 1 1 14 LYS N N -7.801 -2.222 1.540 1.00 . A A . 14 LYS N 1 1 20 6537 1 1 14 LYS NZ N -11.081 1.585 4.680 1.00 . A A . 14 LYS NZ 1 1 20 6538 1 1 14 LYS O O -5.032 -1.668 1.916 1.00 . A A . 14 LYS O 1 1 20 6539 1 1 15 LYS C C -2.968 0.115 1.075 1.00 . A A . 15 LYS C 1 1 20 6540 1 1 15 LYS CA C -3.740 -0.360 -0.153 1.00 . A A . 15 LYS CA 1 1 20 6541 1 1 15 LYS CB C -3.395 0.515 -1.362 1.00 . A A . 15 LYS CB 1 1 20 6542 1 1 15 LYS CD C -5.015 1.923 -2.678 1.00 . A A . 15 LYS CD 1 1 20 6543 1 1 15 LYS CE C -6.473 1.588 -2.405 1.00 . A A . 15 LYS CE 1 1 20 6544 1 1 15 LYS CG C -4.173 1.821 -1.414 1.00 . A A . 15 LYS CG 1 1 20 6545 1 1 15 LYS H H -5.764 0.164 -0.492 1.00 . A A . 15 LYS H 1 1 20 6546 1 1 15 LYS HA H -3.454 -1.378 -0.366 1.00 . A A . 15 LYS HA 1 1 20 6547 1 1 15 LYS HB2 H -2.342 0.751 -1.331 1.00 . A A . 15 LYS HB2 1 1 20 6548 1 1 15 LYS HB3 H -3.604 -0.041 -2.264 1.00 . A A . 15 LYS HB3 1 1 20 6549 1 1 15 LYS HD2 H -4.953 2.930 -3.059 1.00 . A A . 15 LYS HD2 1 1 20 6550 1 1 15 LYS HD3 H -4.628 1.232 -3.412 1.00 . A A . 15 LYS HD3 1 1 20 6551 1 1 15 LYS HE2 H -6.639 0.547 -2.632 1.00 . A A . 15 LYS HE2 1 1 20 6552 1 1 15 LYS HE3 H -6.679 1.766 -1.359 1.00 . A A . 15 LYS HE3 1 1 20 6553 1 1 15 LYS HG2 H -4.824 1.875 -0.556 1.00 . A A . 15 LYS HG2 1 1 20 6554 1 1 15 LYS HG3 H -3.475 2.645 -1.391 1.00 . A A . 15 LYS HG3 1 1 20 6555 1 1 15 LYS HZ1 H -8.383 2.221 -2.966 1.00 . A A . 15 LYS HZ1 1 1 20 6556 1 1 15 LYS HZ2 H -7.266 2.200 -4.236 1.00 . A A . 15 LYS HZ2 1 1 20 6557 1 1 15 LYS HZ3 H -7.201 3.428 -3.075 1.00 . A A . 15 LYS HZ3 1 1 20 6558 1 1 15 LYS N N -5.177 -0.346 0.102 1.00 . A A . 15 LYS N 1 1 20 6559 1 1 15 LYS NZ N -7.396 2.417 -3.228 1.00 . A A . 15 LYS NZ 1 1 20 6560 1 1 15 LYS O O -3.547 0.677 2.005 1.00 . A A . 15 LYS O 1 1 20 6561 1 1 16 TYR C C -1.092 1.708 2.640 1.00 . A A . 16 TYR C 1 1 20 6562 1 1 16 TYR CA C -0.800 0.277 2.184 1.00 . A A . 16 TYR CA 1 1 20 6563 1 1 16 TYR CB C 0.667 0.151 1.770 1.00 . A A . 16 TYR CB 1 1 20 6564 1 1 16 TYR CD1 C 1.143 -1.406 3.709 1.00 . A A . 16 TYR CD1 1 1 20 6565 1 1 16 TYR CD2 C 2.872 0.075 2.997 1.00 . A A . 16 TYR CD2 1 1 20 6566 1 1 16 TYR CE1 C 1.973 -1.909 4.691 1.00 . A A . 16 TYR CE1 1 1 20 6567 1 1 16 TYR CE2 C 3.708 -0.424 3.977 1.00 . A A . 16 TYR CE2 1 1 20 6568 1 1 16 TYR CG C 1.576 -0.405 2.846 1.00 . A A . 16 TYR CG 1 1 20 6569 1 1 16 TYR CZ C 3.255 -1.415 4.822 1.00 . A A . 16 TYR CZ 1 1 20 6570 1 1 16 TYR H H -1.260 -0.575 0.302 1.00 . A A . 16 TYR H 1 1 20 6571 1 1 16 TYR HA H -0.993 -0.394 3.006 1.00 . A A . 16 TYR HA 1 1 20 6572 1 1 16 TYR HB2 H 0.736 -0.501 0.914 1.00 . A A . 16 TYR HB2 1 1 20 6573 1 1 16 TYR HB3 H 1.038 1.129 1.500 1.00 . A A . 16 TYR HB3 1 1 20 6574 1 1 16 TYR HD1 H 0.140 -1.793 3.604 1.00 . A A . 16 TYR HD1 1 1 20 6575 1 1 16 TYR HD2 H 3.226 0.849 2.330 1.00 . A A . 16 TYR HD2 1 1 20 6576 1 1 16 TYR HE1 H 1.619 -2.686 5.352 1.00 . A A . 16 TYR HE1 1 1 20 6577 1 1 16 TYR HE2 H 4.712 -0.038 4.078 1.00 . A A . 16 TYR HE2 1 1 20 6578 1 1 16 TYR HH H 4.919 -2.179 5.407 1.00 . A A . 16 TYR HH 1 1 20 6579 1 1 16 TYR N N -1.661 -0.119 1.072 1.00 . A A . 16 TYR N 1 1 20 6580 1 1 16 TYR O O -1.471 1.937 3.789 1.00 . A A . 16 TYR O 1 1 20 6581 1 1 16 TYR OH O 4.085 -1.914 5.800 1.00 . A A . 16 TYR OH 1 1 20 6582 1 1 17 LYS C C -2.529 4.294 2.644 1.00 . A A . 17 LYS C 1 1 20 6583 1 1 17 LYS CA C -1.140 4.075 2.048 1.00 . A A . 17 LYS CA 1 1 20 6584 1 1 17 LYS CB C -0.980 4.929 0.788 1.00 . A A . 17 LYS CB 1 1 20 6585 1 1 17 LYS CD C -0.975 4.412 -1.674 1.00 . A A . 17 LYS CD 1 1 20 6586 1 1 17 LYS CE C -1.112 5.720 -2.438 1.00 . A A . 17 LYS CE 1 1 20 6587 1 1 17 LYS CG C -1.796 4.427 -0.393 1.00 . A A . 17 LYS CG 1 1 20 6588 1 1 17 LYS H H -0.598 2.421 0.839 1.00 . A A . 17 LYS H 1 1 20 6589 1 1 17 LYS HA H -0.401 4.380 2.771 1.00 . A A . 17 LYS HA 1 1 20 6590 1 1 17 LYS HB2 H -1.292 5.939 1.010 1.00 . A A . 17 LYS HB2 1 1 20 6591 1 1 17 LYS HB3 H 0.061 4.938 0.503 1.00 . A A . 17 LYS HB3 1 1 20 6592 1 1 17 LYS HD2 H 0.064 4.261 -1.423 1.00 . A A . 17 LYS HD2 1 1 20 6593 1 1 17 LYS HD3 H -1.319 3.603 -2.299 1.00 . A A . 17 LYS HD3 1 1 20 6594 1 1 17 LYS HE2 H -2.023 5.690 -3.017 1.00 . A A . 17 LYS HE2 1 1 20 6595 1 1 17 LYS HE3 H -1.164 6.532 -1.729 1.00 . A A . 17 LYS HE3 1 1 20 6596 1 1 17 LYS HG2 H -2.133 3.424 -0.183 1.00 . A A . 17 LYS HG2 1 1 20 6597 1 1 17 LYS HG3 H -2.649 5.075 -0.530 1.00 . A A . 17 LYS HG3 1 1 20 6598 1 1 17 LYS HZ1 H 0.738 6.572 -2.903 1.00 . A A . 17 LYS HZ1 1 1 20 6599 1 1 17 LYS HZ2 H -0.291 6.398 -4.235 1.00 . A A . 17 LYS HZ2 1 1 20 6600 1 1 17 LYS HZ3 H 0.494 5.045 -3.591 1.00 . A A . 17 LYS HZ3 1 1 20 6601 1 1 17 LYS N N -0.906 2.666 1.736 1.00 . A A . 17 LYS N 1 1 20 6602 1 1 17 LYS NZ N 0.038 5.949 -3.357 1.00 . A A . 17 LYS NZ 1 1 20 6603 1 1 17 LYS O O -2.714 5.146 3.513 1.00 . A A . 17 LYS O 1 1 20 6604 1 1 18 GLN C C -5.136 2.712 3.828 1.00 . A A . 18 GLN C 1 1 20 6605 1 1 18 GLN CA C -4.876 3.642 2.651 1.00 . A A . 18 GLN CA 1 1 20 6606 1 1 18 GLN CB C -5.857 3.297 1.535 1.00 . A A . 18 GLN CB 1 1 20 6607 1 1 18 GLN CD C -6.185 5.443 0.243 1.00 . A A . 18 GLN CD 1 1 20 6608 1 1 18 GLN CG C -5.595 4.046 0.237 1.00 . A A . 18 GLN CG 1 1 20 6609 1 1 18 GLN H H -3.295 2.868 1.472 1.00 . A A . 18 GLN H 1 1 20 6610 1 1 18 GLN HA H -5.040 4.662 2.962 1.00 . A A . 18 GLN HA 1 1 20 6611 1 1 18 GLN HB2 H -5.792 2.233 1.339 1.00 . A A . 18 GLN HB2 1 1 20 6612 1 1 18 GLN HB3 H -6.857 3.531 1.868 1.00 . A A . 18 GLN HB3 1 1 20 6613 1 1 18 GLN HE21 H -7.756 4.811 -0.797 1.00 . A A . 18 GLN HE21 1 1 20 6614 1 1 18 GLN HE22 H -7.753 6.489 -0.388 1.00 . A A . 18 GLN HE22 1 1 20 6615 1 1 18 GLN HG2 H -4.528 4.122 0.090 1.00 . A A . 18 GLN HG2 1 1 20 6616 1 1 18 GLN HG3 H -6.032 3.490 -0.579 1.00 . A A . 18 GLN HG3 1 1 20 6617 1 1 18 GLN N N -3.502 3.526 2.168 1.00 . A A . 18 GLN N 1 1 20 6618 1 1 18 GLN NE2 N -7.349 5.596 -0.376 1.00 . A A . 18 GLN NE2 1 1 20 6619 1 1 18 GLN O O -6.289 2.471 4.188 1.00 . A A . 18 GLN O 1 1 20 6620 1 1 18 GLN OE1 O -5.600 6.374 0.799 1.00 . A A . 18 GLN OE1 1 1 20 6621 1 1 19 CYS C C -3.041 1.314 6.486 1.00 . A A . 19 CYS C 1 1 20 6622 1 1 19 CYS CA C -4.239 1.253 5.526 1.00 . A A . 19 CYS CA 1 1 20 6623 1 1 19 CYS CB C -4.461 -0.154 4.965 1.00 . A A . 19 CYS CB 1 1 20 6624 1 1 19 CYS H H -3.179 2.377 4.084 1.00 . A A . 19 CYS H 1 1 20 6625 1 1 19 CYS HA H -5.124 1.551 6.068 1.00 . A A . 19 CYS HA 1 1 20 6626 1 1 19 CYS HB2 H -5.122 -0.082 4.107 1.00 . A A . 19 CYS HB2 1 1 20 6627 1 1 19 CYS HB3 H -3.513 -0.562 4.646 1.00 . A A . 19 CYS HB3 1 1 20 6628 1 1 19 CYS N N -4.078 2.171 4.414 1.00 . A A . 19 CYS N 1 1 20 6629 1 1 19 CYS O O -2.753 2.372 7.046 1.00 . A A . 19 CYS O 1 1 20 6630 1 1 19 CYS SG S -5.202 -1.313 6.138 1.00 . A A . 19 CYS SG 1 1 20 6631 1 1 20 HIS C C -0.040 0.987 7.046 1.00 . A A . 20 HIS C 1 1 20 6632 1 1 20 HIS CA C -1.201 0.158 7.589 1.00 . A A . 20 HIS CA 1 1 20 6633 1 1 20 HIS CB C -0.746 -1.284 7.820 1.00 . A A . 20 HIS CB 1 1 20 6634 1 1 20 HIS CD2 C -1.763 -2.088 10.051 1.00 . A A . 20 HIS CD2 1 1 20 6635 1 1 20 HIS CE1 C -3.239 -3.450 9.206 1.00 . A A . 20 HIS CE1 1 1 20 6636 1 1 20 HIS CG C -1.669 -2.069 8.700 1.00 . A A . 20 HIS CG 1 1 20 6637 1 1 20 HIS H H -2.615 -0.629 6.227 1.00 . A A . 20 HIS H 1 1 20 6638 1 1 20 HIS HA H -1.514 0.580 8.533 1.00 . A A . 20 HIS HA 1 1 20 6639 1 1 20 HIS HB2 H -0.682 -1.791 6.871 1.00 . A A . 20 HIS HB2 1 1 20 6640 1 1 20 HIS HB3 H 0.229 -1.275 8.286 1.00 . A A . 20 HIS HB3 1 1 20 6641 1 1 20 HIS HD2 H -1.166 -1.520 10.749 1.00 . A A . 20 HIS HD2 1 1 20 6642 1 1 20 HIS HE1 H -4.040 -4.170 9.128 1.00 . A A . 20 HIS HE1 1 1 20 6643 1 1 20 HIS HE2 H -3.184 -3.073 11.247 1.00 . A A . 20 HIS HE2 1 1 20 6644 1 1 20 HIS N N -2.349 0.191 6.686 1.00 . A A . 20 HIS N 1 1 20 6645 1 1 20 HIS ND1 N -2.602 -2.929 8.173 1.00 . A A . 20 HIS ND1 1 1 20 6646 1 1 20 HIS NE2 N -2.765 -2.970 10.367 1.00 . A A . 20 HIS NE2 1 1 20 6647 1 1 20 HIS O O 0.772 1.508 7.811 1.00 . A A . 20 HIS O 1 1 20 6648 1 1 21 GLY C C 1.216 3.278 5.663 1.00 . A A . 21 GLY C 1 1 20 6649 1 1 21 GLY CA C 1.106 1.869 5.107 1.00 . A A . 21 GLY CA 1 1 20 6650 1 1 21 GLY H H -0.636 0.665 5.163 1.00 . A A . 21 GLY H 1 1 20 6651 1 1 21 GLY HA2 H 2.042 1.356 5.275 1.00 . A A . 21 GLY HA2 1 1 20 6652 1 1 21 GLY HA3 H 0.926 1.927 4.045 1.00 . A A . 21 GLY HA3 1 1 20 6653 1 1 21 GLY N N 0.036 1.103 5.724 1.00 . A A . 21 GLY N 1 1 20 6654 1 1 21 GLY O O 2.282 3.892 5.605 1.00 . A A . 21 GLY O 1 1 20 6655 1 1 22 ARG C C -0.301 5.094 8.241 1.00 . A A . 22 ARG C 1 1 20 6656 1 1 22 ARG CA C 0.092 5.133 6.768 1.00 . A A . 22 ARG CA 1 1 20 6657 1 1 22 ARG CB C -0.878 6.023 5.987 1.00 . A A . 22 ARG CB 1 1 20 6658 1 1 22 ARG CD C -0.154 8.411 5.683 1.00 . A A . 22 ARG CD 1 1 20 6659 1 1 22 ARG CG C -0.185 7.020 5.071 1.00 . A A . 22 ARG CG 1 1 20 6660 1 1 22 ARG CZ C 1.122 9.780 4.078 1.00 . A A . 22 ARG CZ 1 1 20 6661 1 1 22 ARG H H -0.705 3.251 6.217 1.00 . A A . 22 ARG H 1 1 20 6662 1 1 22 ARG HA H 1.088 5.543 6.684 1.00 . A A . 22 ARG HA 1 1 20 6663 1 1 22 ARG HB2 H -1.516 5.395 5.383 1.00 . A A . 22 ARG HB2 1 1 20 6664 1 1 22 ARG HB3 H -1.489 6.574 6.687 1.00 . A A . 22 ARG HB3 1 1 20 6665 1 1 22 ARG HD2 H -1.043 8.944 5.382 1.00 . A A . 22 ARG HD2 1 1 20 6666 1 1 22 ARG HD3 H -0.140 8.316 6.759 1.00 . A A . 22 ARG HD3 1 1 20 6667 1 1 22 ARG HE H 1.772 9.228 5.883 1.00 . A A . 22 ARG HE 1 1 20 6668 1 1 22 ARG HG2 H 0.829 6.691 4.898 1.00 . A A . 22 ARG HG2 1 1 20 6669 1 1 22 ARG HG3 H -0.717 7.061 4.132 1.00 . A A . 22 ARG HG3 1 1 20 6670 1 1 22 ARG HH11 H -0.712 9.223 3.433 1.00 . A A . 22 ARG HH11 1 1 20 6671 1 1 22 ARG HH12 H 0.205 10.185 2.323 1.00 . A A . 22 ARG HH12 1 1 20 6672 1 1 22 ARG HH21 H 2.981 10.493 4.425 1.00 . A A . 22 ARG HH21 1 1 20 6673 1 1 22 ARG HH22 H 2.302 10.906 2.885 1.00 . A A . 22 ARG HH22 1 1 20 6674 1 1 22 ARG N N 0.114 3.789 6.200 1.00 . A A . 22 ARG N 1 1 20 6675 1 1 22 ARG NE N 1.020 9.170 5.258 1.00 . A A . 22 ARG NE 1 1 20 6676 1 1 22 ARG NH1 N 0.123 9.724 3.207 1.00 . A A . 22 ARG NH1 1 1 20 6677 1 1 22 ARG NH2 N 2.225 10.447 3.772 1.00 . A A . 22 ARG NH2 1 1 20 6678 1 1 22 ARG O O -0.905 4.087 8.666 1.00 . A A . 22 ARG O 1 1 20 6679 1 1 22 ARG OXT O -0.004 6.073 8.957 1.00 . A A . 22 ARG OXT 1 1 20 6680 2 2 1 ZN ZN ZN -3.662 -3.074 6.424 1.00 . B A . 23 ZN ZN 1 1 stop_ save_
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