NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
627423 | 6chc | 30413 | cing | 4-filtered-FRED | STAR | entry | full | 174 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6chc # This FRED archive file contains, for PDB entry <6chc>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6chc _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6chc _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3631.37 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 $Beta_kappa_theraphotoxin_Cg2a A . 1 1 stop_ save_ save_Beta_kappa_theraphotoxin_Cg2a _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Beta kappa theraphotoxin Cg2a" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code RYCQKWXWTCDSKRACCEGLRCKLWCRKII _Entity.Number_of_monomers 30 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 ARG . 1 1 2 TYR . 1 1 3 CYS . 1 1 4 GLN . 1 1 5 LYS . 1 1 6 TRP . 1 1 7 NLE $NLE 1 1 8 TRP . 1 1 9 THR . 1 1 10 CYS . 1 1 11 ASP . 1 1 12 SER . 1 1 13 LYS . 1 1 14 ARG . 1 1 15 ALA . 1 1 16 CYS . 1 1 17 CYS . 1 1 18 GLU . 1 1 19 GLY . 1 1 20 LEU . 1 1 21 ARG . 1 1 22 CYS . 1 1 23 LYS . 1 1 24 LEU . 1 1 25 TRP . 1 1 26 CYS . 1 1 27 ARG . 1 1 28 LYS . 1 1 29 ILE . 1 1 30 ILE . 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 ARG 1 1 1 1 TYR 2 2 1 1 CYS 3 3 1 1 GLN 4 4 1 1 LYS 5 5 1 1 TRP 6 6 1 1 NLE 7 7 1 1 TRP 8 8 1 1 THR 9 9 1 1 CYS 10 10 1 1 ASP 11 11 1 1 SER 12 12 1 1 LYS 13 13 1 1 ARG 14 14 1 1 ALA 15 15 1 1 CYS 16 16 1 1 CYS 17 17 1 1 GLU 18 18 1 1 GLY 19 19 1 1 LEU 20 20 1 1 ARG 21 21 1 1 CYS 22 22 1 1 LYS 23 23 1 1 LEU 24 24 1 1 TRP 25 25 1 1 CYS 26 26 1 1 ARG 27 27 1 1 LYS 28 28 1 1 ILE 29 29 1 1 ILE 30 30 1 1 stop_ save_ save_NLE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NLE _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 6 TRP H . 5 TRP H 1 1 1 1 2 1 1 6 TRP QB . 5 TRP QB 1 1 2 1 1 1 1 6 TRP H . 5 TRP H 1 1 2 1 2 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 3 1 1 1 1 6 TRP H . 5 TRP H 1 1 3 1 2 1 1 7 NLE H . 6 NLE H 1 1 4 1 1 1 1 6 TRP H . 5 TRP H 1 1 4 1 2 1 1 16 CYS QB . 15 CYSS HB3 1 1 5 1 1 1 1 6 TRP H . 5 TRP H 1 1 5 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 6 1 1 1 1 6 TRP H . 5 TRP H 1 1 6 1 2 1 1 28 LYS QG . 27 LYS QG 1 1 7 1 1 1 1 6 TRP HA . 5 TRP HA 1 1 7 1 2 1 1 7 NLE H . 6 NLE H 1 1 8 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 8 1 2 1 1 6 TRP HD1 . 5 TRP HD1 1 1 9 1 1 1 1 6 TRP QB . 5 TRP QB 1 1 9 1 2 1 1 7 NLE H . 6 NLE H 1 1 10 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 10 1 2 1 1 8 TRP H . 7 TRP H 1 1 11 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 11 1 2 1 1 20 LEU HA . 19 LEU HA 1 1 12 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 12 1 2 1 1 20 LEU QB . 19 LEU HB3 1 1 13 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 13 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 14 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 14 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 15 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 15 1 2 1 1 21 ARG H . 20 ARG H 1 1 16 1 1 1 1 6 TRP QB . 5 TRP HB3 1 1 16 1 2 1 1 27 ARG HA . 26 ARG HA 1 1 17 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 17 1 2 1 1 20 LEU QD . 19 LEU QD1 1 1 18 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 18 1 2 1 1 27 ARG HA . 26 ARG HA 1 1 19 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 19 1 2 1 1 28 LYS H . 27 LYS H 1 1 20 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 20 1 2 1 1 28 LYS QG . 27 LYS QG 1 1 21 1 1 1 1 7 NLE H . 6 NLE H 1 1 21 1 2 1 1 7 NLE HB2 . 6 NLE HB2 1 1 22 1 1 1 1 7 NLE H . 6 NLE H 1 1 22 1 2 1 1 7 NLE HB3 . 6 NLE HB3 1 1 23 1 1 1 1 7 NLE H . 6 NLE H 1 1 23 1 2 1 1 8 TRP H . 7 TRP H 1 1 24 1 1 1 1 7 NLE H . 6 NLE H 1 1 24 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 25 1 1 1 1 7 NLE H . 6 NLE H 1 1 25 1 2 1 1 16 CYS H . 15 CYSS H 1 1 26 1 1 1 1 7 NLE H . 6 NLE H 1 1 26 1 2 1 1 16 CYS QB . 15 CYSS HB3 1 1 27 1 1 1 1 7 NLE H . 6 NLE H 1 1 27 1 2 1 1 20 LEU QD . 19 LEU QD1 1 1 28 1 1 1 1 7 NLE H . 6 NLE H 1 1 28 1 2 1 1 26 CYS H . 25 CYSS H 1 1 29 1 1 1 1 7 NLE HA . 6 NLE HA 1 1 29 1 2 1 1 7 NLE HB3 . 6 NLE HB3 1 1 30 1 1 1 1 7 NLE HA . 6 NLE HA 1 1 30 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 31 1 1 1 1 7 NLE HB2 . 6 NLE HB2 1 1 31 1 2 1 1 8 TRP QB . 7 TRP QB 1 1 32 1 1 1 1 7 NLE HB2 . 6 NLE HB2 1 1 32 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 33 1 1 1 1 7 NLE HB2 . 6 NLE HB2 1 1 33 1 2 1 1 16 CYS QB . 15 CYSS HB3 1 1 34 1 1 1 1 7 NLE HB3 . 6 NLE HB3 1 1 34 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 35 1 1 1 1 8 TRP H . 7 TRP H 1 1 35 1 2 1 1 8 TRP QB . 7 TRP QB 1 1 36 1 1 1 1 8 TRP H . 7 TRP H 1 1 36 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 37 1 1 1 1 8 TRP H . 7 TRP H 1 1 37 1 2 1 1 9 THR H . 8 THR H 1 1 38 1 1 1 1 8 TRP H . 7 TRP H 1 1 38 1 2 1 1 26 CYS H . 25 CYSS H 1 1 39 1 1 1 1 8 TRP HA . 7 TRP HA 1 1 39 1 2 1 1 8 TRP HD1 . 7 TRP HD1 1 1 40 1 1 1 1 8 TRP HA . 7 TRP HA 1 1 40 1 2 1 1 9 THR H . 8 THR H 1 1 41 1 1 1 1 8 TRP QB . 7 TRP QB 1 1 41 1 2 1 1 9 THR H . 8 THR H 1 1 42 1 1 1 1 8 TRP QB . 7 TRP QB 1 1 42 1 2 1 1 26 CYS H . 25 CYSS H 1 1 43 1 1 1 1 8 TRP HB2 . 7 TRP HB2 1 1 43 1 2 1 1 9 THR H . 8 THR H 1 1 44 1 1 1 1 8 TRP HB3 . 7 TRP HB3 1 1 44 1 2 1 1 9 THR H . 8 THR H 1 1 45 1 1 1 1 8 TRP HD1 . 7 TRP HD1 1 1 45 1 2 1 1 9 THR H . 8 THR H 1 1 46 1 1 1 1 8 TRP HD1 . 7 TRP HD1 1 1 46 1 2 1 1 25 TRP QB . 24 TRP HB2 1 1 47 1 1 1 1 9 THR H . 8 THR H 1 1 47 1 2 1 1 9 THR MG . 8 THR HG21 1 1 48 1 1 1 1 9 THR H . 8 THR H 1 1 48 1 2 1 1 10 CYS H . 9 CYSS H 1 1 49 1 1 1 1 9 THR HA . 8 THR HA 1 1 49 1 2 1 1 25 TRP HA . 24 TRP HA 1 1 50 1 1 1 1 9 THR HA . 8 THR HA 1 1 50 1 2 1 1 26 CYS H . 25 CYSS H 1 1 51 1 1 1 1 9 THR MG . 8 THR HG21 1 1 51 1 2 1 1 25 TRP HA . 24 TRP HA 1 1 52 1 1 1 1 9 THR MG . 8 THR HG21 1 1 52 1 2 1 1 25 TRP QB . 24 TRP HB3 1 1 53 1 1 1 1 10 CYS H . 9 CYSS H 1 1 53 1 2 1 1 11 ASP H . 10 ASP H 1 1 54 1 1 1 1 10 CYS H . 9 CYSS H 1 1 54 1 2 1 1 11 ASP HA . 10 ASP HA 1 1 55 1 1 1 1 10 CYS QB . 9 CYSS QB 1 1 55 1 2 1 1 11 ASP H . 10 ASP H 1 1 56 1 1 1 1 11 ASP H . 10 ASP H 1 1 56 1 2 1 1 11 ASP HB2 . 10 ASP HB2 1 1 57 1 1 1 1 11 ASP H . 10 ASP H 1 1 57 1 2 1 1 11 ASP QB . 10 ASP QB 1 1 58 1 1 1 1 11 ASP H . 10 ASP H 1 1 58 1 2 1 1 11 ASP HB3 . 10 ASP HB3 1 1 59 1 1 1 1 14 ARG H . 13 ARG H 1 1 59 1 2 1 1 14 ARG QB . 13 ARG QB 1 1 60 1 1 1 1 14 ARG H . 13 ARG H 1 1 60 1 2 1 1 14 ARG HG2 . 13 ARG HG2 1 1 61 1 1 1 1 14 ARG H . 13 ARG H 1 1 61 1 2 1 1 14 ARG QG . 13 ARG QG 1 1 62 1 1 1 1 14 ARG H . 13 ARG H 1 1 62 1 2 1 1 14 ARG HG3 . 13 ARG HG3 1 1 63 1 1 1 1 14 ARG QB . 13 ARG QB 1 1 63 1 2 1 1 15 ALA H . 14 ALA H 1 1 64 1 1 1 1 14 ARG QG . 13 ARG QG 1 1 64 1 2 1 1 15 ALA H . 14 ALA H 1 1 65 1 1 1 1 14 ARG HG2 . 13 ARG HG2 1 1 65 1 2 1 1 15 ALA H . 14 ALA H 1 1 66 1 1 1 1 14 ARG HG3 . 13 ARG HG3 1 1 66 1 2 1 1 15 ALA H . 14 ALA H 1 1 67 1 1 1 1 15 ALA HA . 14 ALA HA 1 1 67 1 2 1 1 16 CYS H . 15 CYSS H 1 1 68 1 1 1 1 16 CYS H . 15 CYSS H 1 1 68 1 2 1 1 16 CYS QB . 15 CYSS HB2 1 1 69 1 1 1 1 16 CYS H . 15 CYSS H 1 1 69 1 2 1 1 17 CYS H . 16 CYSS H 1 1 70 1 1 1 1 16 CYS HA . 15 CYSS HA 1 1 70 1 2 1 1 16 CYS QB . 15 CYSS HB3 1 1 71 1 1 1 1 16 CYS HA . 15 CYSS HA 1 1 71 1 2 1 1 17 CYS H . 16 CYSS H 1 1 72 1 1 1 1 16 CYS HA . 15 CYSS HA 1 1 72 1 2 1 1 17 CYS HA . 16 CYSS HA 1 1 73 1 1 1 1 16 CYS QB . 15 CYSS HB3 1 1 73 1 2 1 1 17 CYS H . 16 CYSS H 1 1 74 1 1 1 1 16 CYS QB . 15 CYSS HB3 1 1 74 1 2 1 1 20 LEU H . 19 LEU H 1 1 75 1 1 1 1 16 CYS QB . 15 CYSS HB3 1 1 75 1 2 1 1 20 LEU QB . 19 LEU HB3 1 1 76 1 1 1 1 16 CYS QB . 15 CYSS HB3 1 1 76 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 77 1 1 1 1 16 CYS QB . 15 CYSS HB2 1 1 77 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 78 1 1 1 1 17 CYS H . 16 CYSS H 1 1 78 1 2 1 1 17 CYS HA . 16 CYSS HA 1 1 79 1 1 1 1 17 CYS H . 16 CYSS H 1 1 79 1 2 1 1 17 CYS QB . 16 CYSS QB 1 1 80 1 1 1 1 17 CYS H . 16 CYSS H 1 1 80 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 81 1 1 1 1 17 CYS H . 16 CYSS H 1 1 81 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 82 1 1 1 1 17 CYS QB . 16 CYSS QB 1 1 82 1 2 1 1 18 GLU H . 17 GLU H 1 1 83 1 1 1 1 17 CYS QB . 16 CYSS QB 1 1 83 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 84 1 1 1 1 17 CYS HB2 . 16 CYSS HB2 1 1 84 1 2 1 1 18 GLU H . 17 GLU H 1 1 85 1 1 1 1 17 CYS HB2 . 16 CYSS HB2 1 1 85 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 86 1 1 1 1 17 CYS HB3 . 16 CYSS HB3 1 1 86 1 2 1 1 18 GLU H . 17 GLU H 1 1 87 1 1 1 1 17 CYS HB3 . 16 CYSS HB3 1 1 87 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 88 1 1 1 1 18 GLU H . 17 GLU H 1 1 88 1 2 1 1 18 GLU HB2 . 17 GLU HB2 1 1 89 1 1 1 1 18 GLU H . 17 GLU H 1 1 89 1 2 1 1 18 GLU QB . 17 GLU QB 1 1 90 1 1 1 1 18 GLU H . 17 GLU H 1 1 90 1 2 1 1 18 GLU HB3 . 17 GLU HB3 1 1 91 1 1 1 1 18 GLU H . 17 GLU H 1 1 91 1 2 1 1 18 GLU QG . 17 GLU QG 1 1 92 1 1 1 1 19 GLY H . 18 GLY H 1 1 92 1 2 1 1 19 GLY QA . 18 GLY QA 1 1 93 1 1 1 1 19 GLY H . 18 GLY H 1 1 93 1 2 1 1 20 LEU H . 19 LEU H 1 1 94 1 1 1 1 19 GLY QA . 18 GLY QA 1 1 94 1 2 1 1 20 LEU H . 19 LEU H 1 1 95 1 1 1 1 19 GLY QA . 18 GLY QA 1 1 95 1 2 1 1 20 LEU QD . 19 LEU QD1 1 1 96 1 1 1 1 20 LEU H . 19 LEU H 1 1 96 1 2 1 1 20 LEU QB . 19 LEU HB3 1 1 97 1 1 1 1 20 LEU H . 19 LEU H 1 1 97 1 2 1 1 20 LEU QD . 19 LEU QD1 1 1 98 1 1 1 1 20 LEU H . 19 LEU H 1 1 98 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 99 1 1 1 1 20 LEU H . 19 LEU H 1 1 99 1 2 1 1 21 ARG H . 20 ARG H 1 1 100 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 100 1 2 1 1 20 LEU QD . 19 LEU QD2 1 1 101 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 101 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 102 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 102 1 2 1 1 21 ARG H . 20 ARG H 1 1 103 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 103 1 2 1 1 28 LYS HA . 27 LYS HA 1 1 104 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 104 1 2 1 1 28 LYS QB . 27 LYS QB 1 1 105 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 105 1 2 1 1 29 ILE H . 28 ILE H 1 1 106 1 1 1 1 20 LEU QB . 19 LEU HB3 1 1 106 1 2 1 1 20 LEU QD . 19 LEU QD1 1 1 107 1 1 1 1 20 LEU QB . 19 LEU HB2 1 1 107 1 2 1 1 21 ARG H . 20 ARG H 1 1 108 1 1 1 1 20 LEU QD . 19 LEU QD2 1 1 108 1 2 1 1 21 ARG H . 20 ARG H 1 1 109 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 109 1 2 1 1 27 ARG HA . 26 ARG HA 1 1 110 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 110 1 2 1 1 28 LYS H . 27 LYS H 1 1 111 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 111 1 2 1 1 28 LYS HA . 27 LYS HA 1 1 112 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 112 1 2 1 1 28 LYS QB . 27 LYS QB 1 1 113 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 113 1 2 1 1 28 LYS QG . 27 LYS QG 1 1 114 1 1 1 1 20 LEU QD . 19 LEU QD2 1 1 114 1 2 1 1 29 ILE H . 28 ILE H 1 1 115 1 1 1 1 20 LEU QD . 19 LEU QD1 1 1 115 1 2 1 1 29 ILE HA . 28 ILE HA 1 1 116 1 1 1 1 20 LEU HG . 19 LEU HG 1 1 116 1 2 1 1 21 ARG H . 20 ARG H 1 1 117 1 1 1 1 21 ARG H . 20 ARG H 1 1 117 1 2 1 1 21 ARG QB . 20 ARG QB 1 1 118 1 1 1 1 21 ARG H . 20 ARG H 1 1 118 1 2 1 1 21 ARG HG2 . 20 ARG HG2 1 1 119 1 1 1 1 21 ARG H . 20 ARG H 1 1 119 1 2 1 1 21 ARG HG3 . 20 ARG HG3 1 1 120 1 1 1 1 21 ARG H . 20 ARG H 1 1 120 1 2 1 1 26 CYS HA . 25 CYSS HA 1 1 121 1 1 1 1 21 ARG H . 20 ARG H 1 1 121 1 2 1 1 27 ARG H . 26 ARG H 1 1 122 1 1 1 1 21 ARG H . 20 ARG H 1 1 122 1 2 1 1 28 LYS HA . 27 LYS HA 1 1 123 1 1 1 1 21 ARG QB . 20 ARG QB 1 1 123 1 2 1 1 21 ARG QD . 20 ARG QD 1 1 124 1 1 1 1 21 ARG QD . 20 ARG QD 1 1 124 1 2 1 1 21 ARG QG . 20 ARG QG 1 1 125 1 1 1 1 22 CYS HA . 21 CYSS HA 1 1 125 1 2 1 1 23 LYS H . 22 LYS H 1 1 126 1 1 1 1 22 CYS QB . 21 CYSS QB 1 1 126 1 2 1 1 23 LYS H . 22 LYS H 1 1 127 1 1 1 1 22 CYS HB2 . 21 CYSS HB2 1 1 127 1 2 1 1 23 LYS H . 22 LYS H 1 1 128 1 1 1 1 22 CYS HB3 . 21 CYSS HB3 1 1 128 1 2 1 1 23 LYS H . 22 LYS H 1 1 129 1 1 1 1 23 LYS H . 22 LYS H 1 1 129 1 2 1 1 23 LYS QB . 22 LYS QB 1 1 130 1 1 1 1 24 LEU HA . 23 LEU HA 1 1 130 1 2 1 1 24 LEU QD . 23 LEU QQD 1 1 131 1 1 1 1 24 LEU QB . 23 LEU QB 1 1 131 1 2 1 1 24 LEU QD . 23 LEU QQD 1 1 132 1 1 1 1 24 LEU QB . 23 LEU QB 1 1 132 1 2 1 1 25 TRP H . 24 TRP H 1 1 133 1 1 1 1 24 LEU QB . 23 LEU QB 1 1 133 1 2 1 1 25 TRP HZ2 . 24 TRP HZ2 1 1 134 1 1 1 1 24 LEU HB2 . 23 LEU HB2 1 1 134 1 2 1 1 25 TRP H . 24 TRP H 1 1 135 1 1 1 1 24 LEU HB3 . 23 LEU HB3 1 1 135 1 2 1 1 25 TRP H . 24 TRP H 1 1 136 1 1 1 1 24 LEU QD . 23 LEU QQD 1 1 136 1 2 1 1 25 TRP HZ2 . 24 TRP HZ2 1 1 137 1 1 1 1 24 LEU QD . 23 LEU QQD 1 1 137 1 2 1 1 25 TRP HZ3 . 24 TRP HZ3 1 1 138 1 1 1 1 24 LEU HG . 23 LEU HG 1 1 138 1 2 1 1 25 TRP H . 24 TRP H 1 1 139 1 1 1 1 25 TRP H . 24 TRP H 1 1 139 1 2 1 1 25 TRP HD1 . 24 TRP HD1 1 1 140 1 1 1 1 25 TRP H . 24 TRP H 1 1 140 1 2 1 1 25 TRP HZ2 . 24 TRP HZ2 1 1 141 1 1 1 1 25 TRP H . 24 TRP H 1 1 141 1 2 1 1 26 CYS H . 25 CYSS H 1 1 142 1 1 1 1 25 TRP QB . 24 TRP HB2 1 1 142 1 2 1 1 26 CYS H . 25 CYSS H 1 1 143 1 1 1 1 25 TRP QB . 24 TRP HB2 1 1 143 1 2 1 1 26 CYS QB . 25 CYSS QB 1 1 144 1 1 1 1 25 TRP HD1 . 24 TRP HD1 1 1 144 1 2 1 1 26 CYS H . 25 CYSS H 1 1 145 1 1 1 1 25 TRP HD1 . 24 TRP HD1 1 1 145 1 2 1 1 26 CYS QB . 25 CYSS QB 1 1 146 1 1 1 1 25 TRP HD1 . 24 TRP HD1 1 1 146 1 2 1 1 27 ARG HA . 26 ARG HA 1 1 147 1 1 1 1 25 TRP HD1 . 24 TRP HD1 1 1 147 1 2 1 1 27 ARG QG . 26 ARG HG2 1 1 148 1 1 1 1 25 TRP HE1 . 24 TRP HE1 1 1 148 1 2 1 1 27 ARG QG . 26 ARG QG 1 1 149 1 1 1 1 25 TRP HZ2 . 24 TRP HZ2 1 1 149 1 2 1 1 27 ARG QG . 26 ARG QG 1 1 150 1 1 1 1 26 CYS H . 25 CYSS H 1 1 150 1 2 1 1 26 CYS QB . 25 CYSS QB 1 1 151 1 1 1 1 26 CYS HA . 25 CYSS HA 1 1 151 1 2 1 1 27 ARG H . 26 ARG H 1 1 152 1 1 1 1 27 ARG H . 26 ARG H 1 1 152 1 2 1 1 27 ARG HB2 . 26 ARG HB2 1 1 153 1 1 1 1 27 ARG H . 26 ARG H 1 1 153 1 2 1 1 27 ARG QB . 26 ARG QB 1 1 154 1 1 1 1 27 ARG H . 26 ARG H 1 1 154 1 2 1 1 27 ARG HB3 . 26 ARG HB3 1 1 155 1 1 1 1 27 ARG H . 26 ARG H 1 1 155 1 2 1 1 27 ARG QD . 26 ARG QD 1 1 156 1 1 1 1 27 ARG H . 26 ARG H 1 1 156 1 2 1 1 27 ARG QG . 26 ARG QG 1 1 157 1 1 1 1 27 ARG HA . 26 ARG HA 1 1 157 1 2 1 1 27 ARG QD . 26 ARG QD 1 1 158 1 1 1 1 27 ARG HA . 26 ARG HA 1 1 158 1 2 1 1 27 ARG QG . 26 ARG HG3 1 1 159 1 1 1 1 27 ARG QB . 26 ARG QB 1 1 159 1 2 1 1 28 LYS H . 27 LYS H 1 1 160 1 1 1 1 27 ARG QD . 26 ARG QD 1 1 160 1 2 1 1 27 ARG QG . 26 ARG QG 1 1 161 1 1 1 1 28 LYS H . 27 LYS H 1 1 161 1 2 1 1 28 LYS HB2 . 27 LYS HB2 1 1 162 1 1 1 1 28 LYS H . 27 LYS H 1 1 162 1 2 1 1 28 LYS QB . 27 LYS QB 1 1 163 1 1 1 1 28 LYS H . 27 LYS H 1 1 163 1 2 1 1 28 LYS HB3 . 27 LYS HB3 1 1 164 1 1 1 1 28 LYS H . 27 LYS H 1 1 164 1 2 1 1 28 LYS QG . 27 LYS HG2 1 1 165 1 1 1 1 28 LYS H . 27 LYS H 1 1 165 1 2 1 1 29 ILE H . 28 ILE H 1 1 166 1 1 1 1 28 LYS HA . 27 LYS HA 1 1 166 1 2 1 1 29 ILE H . 28 ILE H 1 1 167 1 1 1 1 28 LYS QB . 27 LYS QB 1 1 167 1 2 1 1 28 LYS QE . 27 LYS QE 1 1 168 1 1 1 1 28 LYS QB . 27 LYS QB 1 1 168 1 2 1 1 29 ILE H . 28 ILE H 1 1 169 1 1 1 1 28 LYS QG . 27 LYS QG 1 1 169 1 2 1 1 29 ILE H . 28 ILE H 1 1 170 1 1 1 1 29 ILE H . 28 ILE H 1 1 170 1 2 1 1 29 ILE HB . 28 ILE HB 1 1 171 1 1 1 1 30 ILE H . 29 ILE H 1 1 171 1 2 1 1 30 ILE HB . 29 ILE HB 1 1 172 1 1 1 1 30 ILE H . 29 ILE H 1 1 172 1 2 1 1 30 ILE QG . 29 ILE QG1 1 1 173 1 1 1 1 30 ILE H . 29 ILE H 1 1 173 1 2 1 1 30 ILE MG . 29 ILE HG21 1 1 174 1 1 1 1 30 ILE HA . 29 ILE HA 1 1 174 1 2 1 1 30 ILE MD . 29 ILE QD1 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 . . . . . . . 3.21 1 1 2 1 . . . . . . . 5.5 1 1 3 1 . . . . . . . 4.6 1 1 4 1 . . . . . . . 5.44 1 1 5 1 . . . . . . . 4.06 1 1 6 1 . . . . . . . 5.34 1 1 7 1 . . . . . . . 3.35 1 1 8 1 . . . . . . . 3.22 1 1 9 1 . . . . . . . 2.7 1 1 10 1 . . . . . . . 5.5 1 1 11 1 . . . . . . . 5.45 1 1 12 1 . . . . . . . 3.69 1 1 13 1 . . . . . . . 4.1 1 1 14 1 . . . . . . . 3.38 1 1 15 1 . . . . . . . 5.5 1 1 16 1 . . . . . . . 5.5 1 1 17 1 . . . . . . . 5.5 1 1 18 1 . . . . . . . 5.13 1 1 19 1 . . . . . . . 5.2 1 1 20 1 . . . . . . . 4.79 1 1 21 1 . . . . . . . 3.99 1 1 22 1 . . . . . . . 3.93 1 1 23 1 . . . . . . . 4.39 1 1 24 1 . . . . . . . 5.46 1 1 25 1 . . . . . . . 4.98 1 1 26 1 . . . . . . . 2.85 1 1 27 1 . . . . . . . 5.45 1 1 28 1 . . . . . . . 4.95 1 1 29 1 . . . . . . . 2.99 1 1 30 1 . . . . . . . 4.47 1 1 31 1 . . . . . . . 5.24 1 1 32 1 . . . . . . . 4.85 1 1 33 1 . . . . . . . 4.49 1 1 34 1 . . . . . . . 3.78 1 1 35 1 . . . . . . . 3.69 1 1 36 1 . . . . . . . 4.15 1 1 37 1 . . . . . . . 4.99 1 1 38 1 . . . . . . . 4.62 1 1 39 1 . . . . . . . 4.0 1 1 40 1 . . . . . . . 3.49 1 1 41 1 . . . . . . . 3.87 1 1 42 1 . . . . . . . 5.18 1 1 43 1 . . . . . . . 4.47 1 1 44 1 . . . . . . . 4.47 1 1 45 1 . . . . . . . 5.5 1 1 46 1 . . . . . . . 4.76 1 1 47 1 . . . . . . . 4.15 1 1 48 1 . . . . . . . 4.89 1 1 49 1 . . . . . . . 4.4 1 1 50 1 . . . . . . . 5.5 1 1 51 1 . . . . . . . 5.12 1 1 52 1 . . . . . . . 4.75 1 1 53 1 . . . . . . . 4.47 1 1 54 1 . . . . . . . 5.5 1 1 55 1 . . . . . . . 4.06 1 1 56 1 . . . . . . . 3.95 1 1 57 1 . . . . . . . 3.34 1 1 58 1 . . . . . . . 3.95 1 1 59 1 . . . . . . . 3.7 1 1 60 1 . . . . . . . 4.19 1 1 61 1 . . . . . . . 3.56 1 1 62 1 . . . . . . . 4.19 1 1 63 1 . . . . . . . 4.47 1 1 64 1 . . . . . . . 4.8 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 5.5 1 1 67 1 . . . . . . . 3.54 1 1 68 1 . . . . . . . 3.91 1 1 69 1 . . . . . . . 5.36 1 1 70 1 . . . . . . . 2.55 1 1 71 1 . . . . . . . 3.41 1 1 72 1 . . . . . . . 4.57 1 1 73 1 . . . . . . . 3.02 1 1 74 1 . . . . . . . 5.38 1 1 75 1 . . . . . . . 3.81 1 1 76 1 . . . . . . . 3.73 1 1 77 1 . . . . . . . 3.49 1 1 78 1 . . . . . . . 2.86 1 1 79 1 . . . . . . . 3.64 1 1 80 1 . . . . . . . 4.19 1 1 81 1 . . . . . . . 4.22 1 1 82 1 . . . . . . . 3.63 1 1 83 1 . . . . . . . 3.91 1 1 84 1 . . . . . . . 4.33 1 1 85 1 . . . . . . . 4.56 1 1 86 1 . . . . . . . 4.33 1 1 87 1 . . . . . . . 4.56 1 1 88 1 . . . . . . . 3.63 1 1 89 1 . . . . . . . 2.95 1 1 90 1 . . . . . . . 3.63 1 1 91 1 . . . . . . . 4.87 1 1 92 1 . . . . . . . 2.52 1 1 93 1 . . . . . . . 5.0 1 1 94 1 . . . . . . . 2.85 1 1 95 1 . . . . . . . 4.19 1 1 96 1 . . . . . . . 3.91 1 1 97 1 . . . . . . . 4.48 1 1 98 1 . . . . . . . 4.67 1 1 99 1 . . . . . . . 5.41 1 1 100 1 . . . . . . . 3.5 1 1 101 1 . . . . . . . 3.73 1 1 102 1 . . . . . . . 3.49 1 1 103 1 . . . . . . . 3.96 1 1 104 1 . . . . . . . 4.88 1 1 105 1 . . . . . . . 4.31 1 1 106 1 . . . . . . . 2.4 1 1 107 1 . . . . . . . 4.11 1 1 108 1 . . . . . . . 4.56 1 1 109 1 . . . . . . . 4.97 1 1 110 1 . . . . . . . 5.1 1 1 111 1 . . . . . . . 3.14 1 1 112 1 . . . . . . . 3.61 1 1 113 1 . . . . . . . 3.79 1 1 114 1 . . . . . . . 4.01 1 1 115 1 . . . . . . . 5.48 1 1 116 1 . . . . . . . 5.05 1 1 117 1 . . . . . . . 3.64 1 1 118 1 . . . . . . . 3.89 1 1 119 1 . . . . . . . 3.89 1 1 120 1 . . . . . . . 5.08 1 1 121 1 . . . . . . . 4.57 1 1 122 1 . . . . . . . 5.21 1 1 123 1 . . . . . . . 2.49 1 1 124 1 . . . . . . . 2.31 1 1 125 1 . . . . . . . 3.33 1 1 126 1 . . . . . . . 4.14 1 1 127 1 . . . . . . . 4.77 1 1 128 1 . . . . . . . 4.77 1 1 129 1 . . . . . . . 2.67 1 1 130 1 . . . . . . . 4.09 1 1 131 1 . . . . . . . 2.6 1 1 132 1 . . . . . . . 3.65 1 1 133 1 . . . . . . . 4.49 1 1 134 1 . . . . . . . 4.29 1 1 135 1 . . . . . . . 4.29 1 1 136 1 . . . . . . . 4.63 1 1 137 1 . . . . . . . 4.57 1 1 138 1 . . . . . . . 4.44 1 1 139 1 . . . . . . . 5.18 1 1 140 1 . . . . . . . 5.5 1 1 141 1 . . . . . . . 5.0 1 1 142 1 . . . . . . . 3.82 1 1 143 1 . . . . . . . 4.88 1 1 144 1 . . . . . . . 5.46 1 1 145 1 . . . . . . . 3.9 1 1 146 1 . . . . . . . 5.14 1 1 147 1 . . . . . . . 4.43 1 1 148 1 . . . . . . . 3.38 1 1 149 1 . . . . . . . 5.34 1 1 150 1 . . . . . . . 3.13 1 1 151 1 . . . . . . . 3.36 1 1 152 1 . . . . . . . 4.18 1 1 153 1 . . . . . . . 3.67 1 1 154 1 . . . . . . . 4.18 1 1 155 1 . . . . . . . 5.34 1 1 156 1 . . . . . . . 3.23 1 1 157 1 . . . . . . . 4.55 1 1 158 1 . . . . . . . 3.06 1 1 159 1 . . . . . . . 3.27 1 1 160 1 . . . . . . . 2.2 1 1 161 1 . . . . . . . 3.95 1 1 162 1 . . . . . . . 3.4 1 1 163 1 . . . . . . . 3.95 1 1 164 1 . . . . . . . 3.24 1 1 165 1 . . . . . . . 5.44 1 1 166 1 . . . . . . . 3.5 1 1 167 1 . . . . . . . 4.43 1 1 168 1 . . . . . . . 3.84 1 1 169 1 . . . . . . . 5.03 1 1 170 1 . . . . . . . 3.67 1 1 171 1 . . . . . . . 3.73 1 1 172 1 . . . . . . . 2.39 1 1 173 1 . . . . . . . 2.4 1 1 174 1 . . . . . . . 4.39 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 ARG C C -2.938 -4.114 3.175 1.00 . A A . 1 ARG C 1 1 1 2 1 1 1 ARG CA C -4.406 -4.366 2.895 1.00 . A A . 1 ARG CA 1 1 1 3 1 1 1 ARG H1 H -4.607 -6.418 3.375 1.00 . A A . 1 ARG H1 1 1 1 4 1 1 1 ARG HA H -4.701 -3.791 2.031 1.00 . A A . 1 ARG HA 1 1 1 5 1 1 1 ARG N N -4.691 -5.766 2.649 1.00 . A A . 1 ARG N 1 1 1 6 1 1 1 ARG O O -2.478 -4.267 4.307 1.00 . A A . 1 ARG O 1 1 1 7 1 1 2 TYR C C -0.374 -2.215 1.489 1.00 . A A . 2 TYR C 1 1 1 8 1 1 2 TYR CA C -0.772 -3.458 2.279 1.00 . A A . 2 TYR CA 1 1 1 9 1 1 2 TYR CB C 0.044 -4.660 1.806 1.00 . A A . 2 TYR CB 1 1 1 10 1 1 2 TYR CD1 C -0.560 -6.600 3.305 1.00 . A A . 2 TYR CD1 1 1 1 11 1 1 2 TYR CD2 C 1.597 -5.619 3.552 1.00 . A A . 2 TYR CD2 1 1 1 12 1 1 2 TYR CE1 C -0.270 -7.502 4.312 1.00 . A A . 2 TYR CE1 1 1 1 13 1 1 2 TYR CE2 C 1.896 -6.516 4.558 1.00 . A A . 2 TYR CE2 1 1 1 14 1 1 2 TYR CG C 0.367 -5.645 2.908 1.00 . A A . 2 TYR CG 1 1 1 15 1 1 2 TYR CZ C 0.958 -7.456 4.934 1.00 . A A . 2 TYR CZ 1 1 1 16 1 1 2 TYR H H -2.622 -3.623 1.263 1.00 . A A . 2 TYR H 1 1 1 17 1 1 2 TYR HA H -0.568 -3.284 3.327 1.00 . A A . 2 TYR HA 1 1 1 18 1 1 2 TYR HB2 H -0.510 -5.187 1.045 1.00 . A A . 2 TYR HB2 1 1 1 19 1 1 2 TYR HB3 H 0.978 -4.313 1.388 1.00 . A A . 2 TYR HB3 1 1 1 20 1 1 2 TYR HD1 H -1.523 -6.633 2.816 1.00 . A A . 2 TYR HD1 1 1 1 21 1 1 2 TYR HD2 H 2.329 -4.882 3.254 1.00 . A A . 2 TYR HD2 1 1 1 22 1 1 2 TYR HE1 H -1.005 -8.237 4.606 1.00 . A A . 2 TYR HE1 1 1 1 23 1 1 2 TYR HE2 H 2.858 -6.481 5.045 1.00 . A A . 2 TYR HE2 1 1 1 24 1 1 2 TYR HH H 1.461 -9.206 5.553 1.00 . A A . 2 TYR HH 1 1 1 25 1 1 2 TYR N N -2.198 -3.728 2.141 1.00 . A A . 2 TYR N 1 1 1 26 1 1 2 TYR O O -1.151 -1.703 0.681 1.00 . A A . 2 TYR O 1 1 1 27 1 1 2 TYR OH O 1.252 -8.352 5.938 1.00 . A A . 2 TYR OH 1 1 1 28 1 1 3 CYS C C 1.721 -0.884 -0.406 1.00 . A A . 3 CYS C 1 1 1 29 1 1 3 CYS CA C 1.347 -0.554 1.036 1.00 . A A . 3 CYS CA 1 1 1 30 1 1 3 CYS CB C 2.562 0.012 1.773 1.00 . A A . 3 CYS CB 1 1 1 31 1 1 3 CYS H H 1.416 -2.188 2.380 1.00 . A A . 3 CYS H 1 1 1 32 1 1 3 CYS HA H 0.562 0.188 1.030 1.00 . A A . 3 CYS HA 1 1 1 33 1 1 3 CYS HB2 H 2.871 -0.690 2.534 1.00 . A A . 3 CYS HB2 1 1 1 34 1 1 3 CYS HB3 H 3.370 0.148 1.069 1.00 . A A . 3 CYS HB3 1 1 1 35 1 1 3 CYS N N 0.843 -1.736 1.725 1.00 . A A . 3 CYS N 1 1 1 36 1 1 3 CYS O O 1.344 -1.931 -0.932 1.00 . A A . 3 CYS O 1 1 1 37 1 1 3 CYS SG S 2.258 1.613 2.588 1.00 . A A . 3 CYS SG 1 1 1 38 1 1 4 GLN C C 4.403 -0.358 -2.504 1.00 . A A . 4 GLN C 1 1 1 39 1 1 4 GLN CA C 2.890 -0.177 -2.420 1.00 . A A . 4 GLN CA 1 1 1 40 1 1 4 GLN CB C 2.457 1.009 -3.282 1.00 . A A . 4 GLN CB 1 1 1 41 1 1 4 GLN CD C -0.002 0.968 -2.705 1.00 . A A . 4 GLN CD 1 1 1 42 1 1 4 GLN CG C 1.279 1.779 -2.709 1.00 . A A . 4 GLN CG 1 1 1 43 1 1 4 GLN H H 2.735 0.832 -0.566 1.00 . A A . 4 GLN H 1 1 1 44 1 1 4 GLN HA H 2.413 -1.072 -2.790 1.00 . A A . 4 GLN HA 1 1 1 45 1 1 4 GLN HB2 H 3.291 1.691 -3.381 1.00 . A A . 4 GLN HB2 1 1 1 46 1 1 4 GLN HB3 H 2.181 0.647 -4.262 1.00 . A A . 4 GLN HB3 1 1 1 47 1 1 4 GLN HE21 H 0.108 0.738 -4.676 1.00 . A A . 4 GLN HE21 1 1 1 48 1 1 4 GLN HE22 H -1.249 -0.007 -3.907 1.00 . A A . 4 GLN HE22 1 1 1 49 1 1 4 GLN HG2 H 1.510 2.062 -1.693 1.00 . A A . 4 GLN HG2 1 1 1 50 1 1 4 GLN HG3 H 1.122 2.668 -3.303 1.00 . A A . 4 GLN HG3 1 1 1 51 1 1 4 GLN N N 2.466 0.018 -1.039 1.00 . A A . 4 GLN N 1 1 1 52 1 1 4 GLN NE2 N -0.425 0.522 -3.882 1.00 . A A . 4 GLN NE2 1 1 1 53 1 1 4 GLN O O 5.138 0.592 -2.776 1.00 . A A . 4 GLN O 1 1 1 54 1 1 4 GLN OE1 O -0.604 0.743 -1.655 1.00 . A A . 4 GLN OE1 1 1 1 55 1 1 5 LYS C C 7.117 -0.694 -1.856 1.00 . A A . 5 LYS C 1 1 1 56 1 1 5 LYS CA C 6.288 -1.888 -2.318 1.00 . A A . 5 LYS CA 1 1 1 57 1 1 5 LYS CB C 6.694 -2.286 -3.739 1.00 . A A . 5 LYS CB 1 1 1 58 1 1 5 LYS CD C 7.659 -4.589 -4.004 1.00 . A A . 5 LYS CD 1 1 1 59 1 1 5 LYS CE C 8.517 -4.420 -5.249 1.00 . A A . 5 LYS CE 1 1 1 60 1 1 5 LYS CG C 6.403 -3.738 -4.072 1.00 . A A . 5 LYS CG 1 1 1 61 1 1 5 LYS H H 4.226 -2.297 -2.057 1.00 . A A . 5 LYS H 1 1 1 62 1 1 5 LYS HA H 6.471 -2.719 -1.655 1.00 . A A . 5 LYS HA 1 1 1 63 1 1 5 LYS HB2 H 6.161 -1.661 -4.443 1.00 . A A . 5 LYS HB2 1 1 1 64 1 1 5 LYS HB3 H 7.755 -2.117 -3.857 1.00 . A A . 5 LYS HB3 1 1 1 65 1 1 5 LYS HD2 H 8.237 -4.294 -3.141 1.00 . A A . 5 LYS HD2 1 1 1 66 1 1 5 LYS HD3 H 7.375 -5.629 -3.912 1.00 . A A . 5 LYS HD3 1 1 1 67 1 1 5 LYS HE2 H 7.978 -3.812 -5.960 1.00 . A A . 5 LYS HE2 1 1 1 68 1 1 5 LYS HE3 H 9.434 -3.923 -4.972 1.00 . A A . 5 LYS HE3 1 1 1 69 1 1 5 LYS HG2 H 5.682 -4.122 -3.367 1.00 . A A . 5 LYS HG2 1 1 1 70 1 1 5 LYS HG3 H 5.994 -3.793 -5.072 1.00 . A A . 5 LYS HG3 1 1 1 71 1 1 5 LYS HZ1 H 8.007 -6.109 -6.366 1.00 . A A . 5 LYS HZ1 1 1 1 72 1 1 5 LYS HZ2 H 9.147 -6.408 -5.153 1.00 . A A . 5 LYS HZ2 1 1 1 73 1 1 5 LYS HZ3 H 9.610 -5.611 -6.572 1.00 . A A . 5 LYS HZ3 1 1 1 74 1 1 5 LYS N N 4.862 -1.581 -2.269 1.00 . A A . 5 LYS N 1 1 1 75 1 1 5 LYS NZ N 8.844 -5.729 -5.878 1.00 . A A . 5 LYS NZ 1 1 1 76 1 1 5 LYS O O 8.065 -0.289 -2.526 1.00 . A A . 5 LYS O 1 1 1 77 1 1 6 TRP C C 8.969 0.866 -0.359 1.00 . A A . 6 TRP C 1 1 1 78 1 1 6 TRP CA C 7.465 1.008 -0.152 1.00 . A A . 6 TRP CA 1 1 1 79 1 1 6 TRP CB C 7.154 1.157 1.339 1.00 . A A . 6 TRP CB 1 1 1 80 1 1 6 TRP CD1 C 8.847 0.652 3.194 1.00 . A A . 6 TRP CD1 1 1 1 81 1 1 6 TRP CD2 C 8.032 -1.167 2.172 1.00 . A A . 6 TRP CD2 1 1 1 82 1 1 6 TRP CE2 C 8.944 -1.579 3.164 1.00 . A A . 6 TRP CE2 1 1 1 83 1 1 6 TRP CE3 C 7.392 -2.139 1.400 1.00 . A A . 6 TRP CE3 1 1 1 84 1 1 6 TRP CG C 7.984 0.263 2.209 1.00 . A A . 6 TRP CG 1 1 1 85 1 1 6 TRP CH2 C 8.590 -3.852 2.628 1.00 . A A . 6 TRP CH2 1 1 1 86 1 1 6 TRP CZ2 C 9.230 -2.923 3.400 1.00 . A A . 6 TRP CZ2 1 1 1 87 1 1 6 TRP CZ3 C 7.677 -3.471 1.635 1.00 . A A . 6 TRP CZ3 1 1 1 88 1 1 6 TRP H H 5.987 -0.507 -0.216 1.00 . A A . 6 TRP H 1 1 1 89 1 1 6 TRP HA H 7.123 1.892 -0.671 1.00 . A A . 6 TRP HA 1 1 1 90 1 1 6 TRP HB2 H 7.337 2.178 1.637 1.00 . A A . 6 TRP HB2 1 1 1 91 1 1 6 TRP HB3 H 6.114 0.915 1.507 1.00 . A A . 6 TRP HB3 1 1 1 92 1 1 6 TRP HD1 H 9.036 1.678 3.468 1.00 . A A . 6 TRP HD1 1 1 1 93 1 1 6 TRP HE1 H 10.081 -0.433 4.504 1.00 . A A . 6 TRP HE1 1 1 1 94 1 1 6 TRP HE3 H 6.685 -1.867 0.630 1.00 . A A . 6 TRP HE3 1 1 1 95 1 1 6 TRP HH2 H 8.782 -4.903 2.777 1.00 . A A . 6 TRP HH2 1 1 1 96 1 1 6 TRP HZ2 H 9.930 -3.232 4.162 1.00 . A A . 6 TRP HZ2 1 1 1 97 1 1 6 TRP HZ3 H 7.193 -4.238 1.048 1.00 . A A . 6 TRP HZ3 1 1 1 98 1 1 6 TRP N N 6.752 -0.138 -0.705 1.00 . A A . 6 TRP N 1 1 1 99 1 1 6 TRP NE1 N 9.428 -0.452 3.773 1.00 . A A . 6 TRP NE1 1 1 1 100 1 1 6 TRP O O 9.712 1.838 -0.526 1.00 . A A . 6 TRP O 1 1 1 101 1 1 7 NLE C C 11.650 0.057 -1.532 1.00 . A A . 7 NLE C 1 1 1 102 1 1 7 NLE CA C 10.912 -0.695 -0.369 1.00 . A A . 7 NLE CA 1 1 1 103 1 1 7 NLE CB C 11.053 -2.243 -0.413 1.00 . A A . 7 NLE CB 1 1 1 104 1 1 7 NLE CD C 12.616 -4.016 0.607 1.00 . A A . 7 NLE CD 1 1 1 105 1 1 7 NLE CE C 13.241 -5.113 -0.145 1.00 . A A . 7 NLE CE 1 1 1 106 1 1 7 NLE CG C 12.507 -2.757 -0.268 1.00 . A A . 7 NLE CG 1 1 1 107 1 1 7 NLE H H 8.738 -1.107 -0.204 1.00 . A A . 7 NLE H 1 1 1 108 1 1 7 NLE HA H 11.367 -0.384 0.595 1.00 . A A . 7 NLE HA 1 1 1 109 1 1 7 NLE HB2 H 10.447 -2.691 0.401 1.00 . A A . 7 NLE HB2 1 1 1 110 1 1 7 NLE HB3 H 10.618 -2.638 -1.353 1.00 . A A . 7 NLE HB3 1 1 1 111 1 1 7 NLE HD2 H 13.214 -3.815 1.518 1.00 . A A . 7 NLE HD2 1 1 1 112 1 1 7 NLE HD3 H 11.617 -4.337 0.966 1.00 . A A . 7 NLE HD3 1 1 1 113 1 1 7 NLE HE1 H 14.194 -4.855 -0.432 1.00 . A A . 7 NLE HE1 1 1 1 114 1 1 7 NLE HE2 H 13.294 -5.952 0.446 1.00 . A A . 7 NLE HE2 1 1 1 115 1 1 7 NLE HE3 H 12.687 -5.342 -0.981 1.00 . A A . 7 NLE HE3 1 1 1 116 1 1 7 NLE HG2 H 12.935 -2.979 -1.267 1.00 . A A . 7 NLE HG2 1 1 1 117 1 1 7 NLE HG3 H 13.164 -1.972 0.157 1.00 . A A . 7 NLE HG3 1 1 1 118 1 1 7 NLE N N 9.454 -0.388 -0.351 1.00 . A A . 7 NLE N 1 1 1 119 1 1 7 NLE O O 12.881 0.108 -1.541 1.00 . A A . 7 NLE O 1 1 1 120 1 1 8 TRP C C 12.522 2.364 -3.079 1.00 . A A . 8 TRP C 1 1 1 121 1 1 8 TRP CA C 11.482 1.366 -3.576 1.00 . A A . 8 TRP CA 1 1 1 122 1 1 8 TRP CB C 10.391 2.097 -4.361 1.00 . A A . 8 TRP CB 1 1 1 123 1 1 8 TRP CD1 C 9.447 -0.128 -5.214 1.00 . A A . 8 TRP CD1 1 1 1 124 1 1 8 TRP CD2 C 7.939 1.523 -5.084 1.00 . A A . 8 TRP CD2 1 1 1 125 1 1 8 TRP CE2 C 7.297 0.364 -5.563 1.00 . A A . 8 TRP CE2 1 1 1 126 1 1 8 TRP CE3 C 7.188 2.689 -4.918 1.00 . A A . 8 TRP CE3 1 1 1 127 1 1 8 TRP CG C 9.313 1.186 -4.867 1.00 . A A . 8 TRP CG 1 1 1 128 1 1 8 TRP CH2 C 5.230 1.499 -5.705 1.00 . A A . 8 TRP CH2 1 1 1 129 1 1 8 TRP CZ2 C 5.940 0.342 -5.878 1.00 . A A . 8 TRP CZ2 1 1 1 130 1 1 8 TRP CZ3 C 5.843 2.666 -5.231 1.00 . A A . 8 TRP CZ3 1 1 1 131 1 1 8 TRP H H 9.920 0.553 -2.399 1.00 . A A . 8 TRP H 1 1 1 132 1 1 8 TRP HA H 11.965 0.653 -4.226 1.00 . A A . 8 TRP HA 1 1 1 133 1 1 8 TRP HB2 H 9.932 2.836 -3.724 1.00 . A A . 8 TRP HB2 1 1 1 134 1 1 8 TRP HB3 H 10.841 2.589 -5.211 1.00 . A A . 8 TRP HB3 1 1 1 135 1 1 8 TRP HD1 H 10.374 -0.679 -5.164 1.00 . A A . 8 TRP HD1 1 1 1 136 1 1 8 TRP HE1 H 8.077 -1.547 -5.935 1.00 . A A . 8 TRP HE1 1 1 1 137 1 1 8 TRP HE3 H 7.643 3.600 -4.553 1.00 . A A . 8 TRP HE3 1 1 1 138 1 1 8 TRP HH2 H 4.176 1.527 -5.939 1.00 . A A . 8 TRP HH2 1 1 1 139 1 1 8 TRP HZ2 H 5.453 -0.550 -6.244 1.00 . A A . 8 TRP HZ2 1 1 1 140 1 1 8 TRP HZ3 H 5.246 3.558 -5.109 1.00 . A A . 8 TRP HZ3 1 1 1 141 1 1 8 TRP N N 10.896 0.629 -2.462 1.00 . A A . 8 TRP N 1 1 1 142 1 1 8 TRP NE1 N 8.238 -0.629 -5.634 1.00 . A A . 8 TRP NE1 1 1 1 143 1 1 8 TRP O O 12.613 2.639 -1.881 1.00 . A A . 8 TRP O 1 1 1 144 1 1 9 THR C C 13.763 5.276 -3.536 1.00 . A A . 9 THR C 1 1 1 145 1 1 9 THR CA C 14.343 3.871 -3.660 1.00 . A A . 9 THR CA 1 1 1 146 1 1 9 THR CB C 15.471 3.884 -4.709 1.00 . A A . 9 THR CB 1 1 1 147 1 1 9 THR CG2 C 16.433 2.728 -4.484 1.00 . A A . 9 THR CG2 1 1 1 148 1 1 9 THR H H 13.187 2.645 -4.942 1.00 . A A . 9 THR H 1 1 1 149 1 1 9 THR HA H 14.766 3.583 -2.710 1.00 . A A . 9 THR HA 1 1 1 150 1 1 9 THR HB H 16.018 4.810 -4.615 1.00 . A A . 9 THR HB 1 1 1 151 1 1 9 THR HG1 H 15.624 3.707 -6.668 1.00 . A A . 9 THR HG1 1 1 1 152 1 1 9 THR HG21 H 16.311 2.349 -3.479 1.00 . A A . 9 THR HG21 1 1 1 153 1 1 9 THR HG22 H 17.447 3.071 -4.621 1.00 . A A . 9 THR HG22 1 1 1 154 1 1 9 THR HG23 H 16.219 1.940 -5.192 1.00 . A A . 9 THR HG23 1 1 1 155 1 1 9 THR N N 13.307 2.904 -4.005 1.00 . A A . 9 THR N 1 1 1 156 1 1 9 THR O O 14.067 6.158 -4.341 1.00 . A A . 9 THR O 1 1 1 157 1 1 9 THR OG1 O 14.916 3.801 -6.027 1.00 . A A . 9 THR OG1 1 1 1 158 1 1 10 CYS C C 13.274 7.910 -2.621 1.00 . A A . 10 CYS C 1 1 1 159 1 1 10 CYS CA C 12.307 6.777 -2.292 1.00 . A A . 10 CYS CA 1 1 1 160 1 1 10 CYS CB C 11.843 6.894 -0.839 1.00 . A A . 10 CYS CB 1 1 1 161 1 1 10 CYS H H 12.726 4.736 -1.913 1.00 . A A . 10 CYS H 1 1 1 162 1 1 10 CYS HA H 11.448 6.854 -2.941 1.00 . A A . 10 CYS HA 1 1 1 163 1 1 10 CYS HB2 H 11.141 7.709 -0.757 1.00 . A A . 10 CYS HB2 1 1 1 164 1 1 10 CYS HB3 H 11.354 5.975 -0.550 1.00 . A A . 10 CYS HB3 1 1 1 165 1 1 10 CYS N N 12.929 5.480 -2.522 1.00 . A A . 10 CYS N 1 1 1 166 1 1 10 CYS O O 14.477 7.803 -2.380 1.00 . A A . 10 CYS O 1 1 1 167 1 1 10 CYS SG S 13.190 7.202 0.348 1.00 . A A . 10 CYS SG 1 1 1 168 1 1 11 ASP C C 12.683 11.296 -4.031 1.00 . A A . 11 ASP C 1 1 1 169 1 1 11 ASP CA C 13.556 10.149 -3.532 1.00 . A A . 11 ASP CA 1 1 1 170 1 1 11 ASP CB C 14.579 9.764 -4.603 1.00 . A A . 11 ASP CB 1 1 1 171 1 1 11 ASP CG C 15.988 9.675 -4.054 1.00 . A A . 11 ASP CG 1 1 1 172 1 1 11 ASP H H 11.776 9.021 -3.337 1.00 . A A . 11 ASP H 1 1 1 173 1 1 11 ASP HA H 14.082 10.473 -2.647 1.00 . A A . 11 ASP HA 1 1 1 174 1 1 11 ASP HB2 H 14.311 8.802 -5.017 1.00 . A A . 11 ASP HB2 1 1 1 175 1 1 11 ASP HB3 H 14.562 10.505 -5.388 1.00 . A A . 11 ASP HB3 1 1 1 176 1 1 11 ASP N N 12.741 8.996 -3.171 1.00 . A A . 11 ASP N 1 1 1 177 1 1 11 ASP O O 12.885 12.451 -3.660 1.00 . A A . 11 ASP O 1 1 1 178 1 1 11 ASP OD1 O 16.355 10.531 -3.222 1.00 . A A . 11 ASP OD1 1 1 1 179 1 1 11 ASP OD2 O 16.724 8.749 -4.455 1.00 . A A . 11 ASP OD2 1 1 1 180 1 1 12 SER C C 9.772 11.323 -6.345 1.00 . A A . 12 SER C 1 1 1 181 1 1 12 SER CA C 10.813 11.970 -5.436 1.00 . A A . 12 SER CA 1 1 1 182 1 1 12 SER CB C 11.605 13.020 -6.219 1.00 . A A . 12 SER CB 1 1 1 183 1 1 12 SER H H 11.603 10.029 -5.141 1.00 . A A . 12 SER H 1 1 1 184 1 1 12 SER HA H 10.306 12.454 -4.615 1.00 . A A . 12 SER HA 1 1 1 185 1 1 12 SER HB2 H 11.063 13.287 -7.112 1.00 . A A . 12 SER HB2 1 1 1 186 1 1 12 SER HB3 H 11.737 13.900 -5.604 1.00 . A A . 12 SER HB3 1 1 1 187 1 1 12 SER HG H 13.358 13.204 -7.073 1.00 . A A . 12 SER HG 1 1 1 188 1 1 12 SER N N 11.715 10.968 -4.880 1.00 . A A . 12 SER N 1 1 1 189 1 1 12 SER O O 8.571 11.391 -6.079 1.00 . A A . 12 SER O 1 1 1 190 1 1 12 SER OG O 12.880 12.526 -6.590 1.00 . A A . 12 SER OG 1 1 1 191 1 1 13 LYS C C 8.679 8.821 -7.724 1.00 . A A . 13 LYS C 1 1 1 192 1 1 13 LYS CA C 9.353 10.031 -8.364 1.00 . A A . 13 LYS CA 1 1 1 193 1 1 13 LYS CB C 10.132 9.595 -9.606 1.00 . A A . 13 LYS CB 1 1 1 194 1 1 13 LYS CD C 10.154 11.417 -11.336 1.00 . A A . 13 LYS CD 1 1 1 195 1 1 13 LYS CE C 9.195 12.232 -12.189 1.00 . A A . 13 LYS CE 1 1 1 196 1 1 13 LYS CG C 9.533 10.098 -10.908 1.00 . A A . 13 LYS CG 1 1 1 197 1 1 13 LYS H H 11.209 10.673 -7.574 1.00 . A A . 13 LYS H 1 1 1 198 1 1 13 LYS HA H 8.593 10.738 -8.657 1.00 . A A . 13 LYS HA 1 1 1 199 1 1 13 LYS HB2 H 11.145 9.969 -9.532 1.00 . A A . 13 LYS HB2 1 1 1 200 1 1 13 LYS HB3 H 10.160 8.516 -9.639 1.00 . A A . 13 LYS HB3 1 1 1 201 1 1 13 LYS HD2 H 10.407 11.987 -10.455 1.00 . A A . 13 LYS HD2 1 1 1 202 1 1 13 LYS HD3 H 11.049 11.215 -11.907 1.00 . A A . 13 LYS HD3 1 1 1 203 1 1 13 LYS HE2 H 9.375 12.004 -13.229 1.00 . A A . 13 LYS HE2 1 1 1 204 1 1 13 LYS HE3 H 8.182 11.960 -11.931 1.00 . A A . 13 LYS HE3 1 1 1 205 1 1 13 LYS HG2 H 9.707 9.364 -11.681 1.00 . A A . 13 LYS HG2 1 1 1 206 1 1 13 LYS HG3 H 8.470 10.236 -10.774 1.00 . A A . 13 LYS HG3 1 1 1 207 1 1 13 LYS HZ1 H 8.476 14.193 -12.153 1.00 . A A . 13 LYS HZ1 1 1 1 208 1 1 13 LYS HZ2 H 10.094 14.066 -12.629 1.00 . A A . 13 LYS HZ2 1 1 1 209 1 1 13 LYS HZ3 H 9.674 13.882 -11.001 1.00 . A A . 13 LYS HZ3 1 1 1 210 1 1 13 LYS N N 10.240 10.693 -7.416 1.00 . A A . 13 LYS N 1 1 1 211 1 1 13 LYS NZ N 9.372 13.696 -11.979 1.00 . A A . 13 LYS NZ 1 1 1 212 1 1 13 LYS O O 7.716 8.278 -8.266 1.00 . A A . 13 LYS O 1 1 1 213 1 1 14 ARG C C 7.128 7.406 -5.684 1.00 . A A . 14 ARG C 1 1 1 214 1 1 14 ARG CA C 8.636 7.261 -5.856 1.00 . A A . 14 ARG CA 1 1 1 215 1 1 14 ARG CB C 9.305 7.114 -4.487 1.00 . A A . 14 ARG CB 1 1 1 216 1 1 14 ARG CD C 7.967 8.714 -3.084 1.00 . A A . 14 ARG CD 1 1 1 217 1 1 14 ARG CG C 9.331 8.403 -3.681 1.00 . A A . 14 ARG CG 1 1 1 218 1 1 14 ARG CZ C 6.088 10.239 -3.508 1.00 . A A . 14 ARG CZ 1 1 1 219 1 1 14 ARG H H 9.958 8.882 -6.190 1.00 . A A . 14 ARG H 1 1 1 220 1 1 14 ARG HA H 8.837 6.378 -6.443 1.00 . A A . 14 ARG HA 1 1 1 221 1 1 14 ARG HB2 H 8.771 6.369 -3.918 1.00 . A A . 14 ARG HB2 1 1 1 222 1 1 14 ARG HB3 H 10.323 6.785 -4.634 1.00 . A A . 14 ARG HB3 1 1 1 223 1 1 14 ARG HD2 H 7.322 7.860 -3.230 1.00 . A A . 14 ARG HD2 1 1 1 224 1 1 14 ARG HD3 H 8.086 8.899 -2.028 1.00 . A A . 14 ARG HD3 1 1 1 225 1 1 14 ARG HE H 7.910 10.429 -4.299 1.00 . A A . 14 ARG HE 1 1 1 226 1 1 14 ARG HG2 H 10.048 8.300 -2.881 1.00 . A A . 14 ARG HG2 1 1 1 227 1 1 14 ARG HG3 H 9.627 9.216 -4.329 1.00 . A A . 14 ARG HG3 1 1 1 228 1 1 14 ARG HH11 H 5.675 8.710 -2.255 1.00 . A A . 14 ARG HH11 1 1 1 229 1 1 14 ARG HH12 H 4.359 9.794 -2.562 1.00 . A A . 14 ARG HH12 1 1 1 230 1 1 14 ARG HH21 H 6.184 11.861 -4.712 1.00 . A A . 14 ARG HH21 1 1 1 231 1 1 14 ARG HH22 H 4.649 11.586 -3.961 1.00 . A A . 14 ARG HH22 1 1 1 232 1 1 14 ARG N N 9.190 8.407 -6.570 1.00 . A A . 14 ARG N 1 1 1 233 1 1 14 ARG NE N 7.352 9.882 -3.706 1.00 . A A . 14 ARG NE 1 1 1 234 1 1 14 ARG NH1 N 5.309 9.522 -2.710 1.00 . A A . 14 ARG NH1 1 1 1 235 1 1 14 ARG NH2 N 5.600 11.317 -4.108 1.00 . A A . 14 ARG NH2 1 1 1 236 1 1 14 ARG O O 6.562 8.468 -5.944 1.00 . A A . 14 ARG O 1 1 1 237 1 1 15 ALA C C 4.670 5.653 -3.724 1.00 . A A . 15 ALA C 1 1 1 238 1 1 15 ALA CA C 5.039 6.340 -5.034 1.00 . A A . 15 ALA CA 1 1 1 239 1 1 15 ALA CB C 4.333 5.666 -6.203 1.00 . A A . 15 ALA CB 1 1 1 240 1 1 15 ALA H H 6.988 5.515 -5.052 1.00 . A A . 15 ALA H 1 1 1 241 1 1 15 ALA HA H 4.713 7.369 -4.995 1.00 . A A . 15 ALA HA 1 1 1 242 1 1 15 ALA HB1 H 4.156 6.392 -6.983 1.00 . A A . 15 ALA HB1 1 1 1 243 1 1 15 ALA HB2 H 4.952 4.869 -6.585 1.00 . A A . 15 ALA HB2 1 1 1 244 1 1 15 ALA HB3 H 3.390 5.261 -5.867 1.00 . A A . 15 ALA HB3 1 1 1 245 1 1 15 ALA N N 6.482 6.331 -5.243 1.00 . A A . 15 ALA N 1 1 1 246 1 1 15 ALA O O 3.583 5.091 -3.591 1.00 . A A . 15 ALA O 1 1 1 247 1 1 16 CYS C C 4.098 5.648 -0.801 1.00 . A A . 16 CYS C 1 1 1 248 1 1 16 CYS CA C 5.354 5.084 -1.458 1.00 . A A . 16 CYS CA 1 1 1 249 1 1 16 CYS CB C 6.563 5.305 -0.547 1.00 . A A . 16 CYS CB 1 1 1 250 1 1 16 CYS H H 6.431 6.166 -2.926 1.00 . A A . 16 CYS H 1 1 1 251 1 1 16 CYS HA H 5.220 4.025 -1.613 1.00 . A A . 16 CYS HA 1 1 1 252 1 1 16 CYS HB2 H 6.817 6.356 -0.546 1.00 . A A . 16 CYS HB2 1 1 1 253 1 1 16 CYS HB3 H 6.307 5.002 0.458 1.00 . A A . 16 CYS HB3 1 1 1 254 1 1 16 CYS N N 5.582 5.703 -2.759 1.00 . A A . 16 CYS N 1 1 1 255 1 1 16 CYS O O 3.361 6.426 -1.409 1.00 . A A . 16 CYS O 1 1 1 256 1 1 16 CYS SG S 8.049 4.379 -1.046 1.00 . A A . 16 CYS SG 1 1 1 257 1 1 17 CYS C C 3.108 6.619 2.342 1.00 . A A . 17 CYS C 1 1 1 258 1 1 17 CYS CA C 2.692 5.714 1.185 1.00 . A A . 17 CYS CA 1 1 1 259 1 1 17 CYS CB C 1.892 4.522 1.716 1.00 . A A . 17 CYS CB 1 1 1 260 1 1 17 CYS H H 4.483 4.628 0.875 1.00 . A A . 17 CYS H 1 1 1 261 1 1 17 CYS HA H 2.071 6.280 0.506 1.00 . A A . 17 CYS HA 1 1 1 262 1 1 17 CYS HB2 H 1.878 4.561 2.795 1.00 . A A . 17 CYS HB2 1 1 1 263 1 1 17 CYS HB3 H 0.879 4.587 1.346 1.00 . A A . 17 CYS HB3 1 1 1 264 1 1 17 CYS N N 3.858 5.251 0.443 1.00 . A A . 17 CYS N 1 1 1 265 1 1 17 CYS O O 2.974 7.839 2.266 1.00 . A A . 17 CYS O 1 1 1 266 1 1 17 CYS SG S 2.561 2.901 1.228 1.00 . A A . 17 CYS SG 1 1 1 267 1 1 18 GLU C C 5.422 6.297 5.046 1.00 . A A . 18 GLU C 1 1 1 268 1 1 18 GLU CA C 4.044 6.760 4.583 1.00 . A A . 18 GLU CA 1 1 1 269 1 1 18 GLU CB C 3.032 6.602 5.720 1.00 . A A . 18 GLU CB 1 1 1 270 1 1 18 GLU CD C 1.865 8.465 6.963 1.00 . A A . 18 GLU CD 1 1 1 271 1 1 18 GLU CG C 3.148 7.674 6.791 1.00 . A A . 18 GLU CG 1 1 1 272 1 1 18 GLU H H 3.693 5.034 3.411 1.00 . A A . 18 GLU H 1 1 1 273 1 1 18 GLU HA H 4.102 7.801 4.307 1.00 . A A . 18 GLU HA 1 1 1 274 1 1 18 GLU HB2 H 2.035 6.641 5.307 1.00 . A A . 18 GLU HB2 1 1 1 275 1 1 18 GLU HB3 H 3.182 5.640 6.189 1.00 . A A . 18 GLU HB3 1 1 1 276 1 1 18 GLU HG2 H 3.391 7.203 7.730 1.00 . A A . 18 GLU HG2 1 1 1 277 1 1 18 GLU HG3 H 3.939 8.357 6.515 1.00 . A A . 18 GLU HG3 1 1 1 278 1 1 18 GLU N N 3.610 6.010 3.410 1.00 . A A . 18 GLU N 1 1 1 279 1 1 18 GLU O O 5.644 6.066 6.235 1.00 . A A . 18 GLU O 1 1 1 280 1 1 18 GLU OE1 O 1.185 8.272 7.993 1.00 . A A . 18 GLU OE1 1 1 1 281 1 1 18 GLU OE2 O 1.541 9.276 6.071 1.00 . A A . 18 GLU OE2 1 1 1 282 1 1 19 GLY C C 8.721 6.228 3.437 1.00 . A A . 19 GLY C 1 1 1 283 1 1 19 GLY CA C 7.689 5.728 4.427 1.00 . A A . 19 GLY CA 1 1 1 284 1 1 19 GLY H H 6.110 6.362 3.168 1.00 . A A . 19 GLY H 1 1 1 285 1 1 19 GLY HA2 H 7.944 6.091 5.412 1.00 . A A . 19 GLY HA2 1 1 1 286 1 1 19 GLY HA3 H 7.713 4.647 4.438 1.00 . A A . 19 GLY HA3 1 1 1 287 1 1 19 GLY N N 6.346 6.162 4.098 1.00 . A A . 19 GLY N 1 1 1 288 1 1 19 GLY O O 9.870 5.787 3.449 1.00 . A A . 19 GLY O 1 1 1 289 1 1 20 LEU C C 10.222 8.651 2.210 1.00 . A A . 20 LEU C 1 1 1 290 1 1 20 LEU CA C 9.206 7.713 1.569 1.00 . A A . 20 LEU CA 1 1 1 291 1 1 20 LEU CB C 8.403 8.461 0.503 1.00 . A A . 20 LEU CB 1 1 1 292 1 1 20 LEU CD1 C 5.996 8.216 1.156 1.00 . A A . 20 LEU CD1 1 1 1 293 1 1 20 LEU CD2 C 7.434 9.911 2.303 1.00 . A A . 20 LEU CD2 1 1 1 294 1 1 20 LEU CG C 7.152 9.190 0.992 1.00 . A A . 20 LEU CG 1 1 1 295 1 1 20 LEU H H 7.382 7.463 2.612 1.00 . A A . 20 LEU H 1 1 1 296 1 1 20 LEU HA H 9.735 6.893 1.101 1.00 . A A . 20 LEU HA 1 1 1 297 1 1 20 LEU HB2 H 9.057 9.191 0.051 1.00 . A A . 20 LEU HB2 1 1 1 298 1 1 20 LEU HB3 H 8.098 7.742 -0.245 1.00 . A A . 20 LEU HB3 1 1 1 299 1 1 20 LEU HD11 H 5.509 8.393 2.103 1.00 . A A . 20 LEU HD11 1 1 1 300 1 1 20 LEU HD12 H 6.371 7.204 1.127 1.00 . A A . 20 LEU HD12 1 1 1 301 1 1 20 LEU HD13 H 5.287 8.361 0.354 1.00 . A A . 20 LEU HD13 1 1 1 302 1 1 20 LEU HD21 H 6.741 10.731 2.418 1.00 . A A . 20 LEU HD21 1 1 1 303 1 1 20 LEU HD22 H 8.446 10.294 2.293 1.00 . A A . 20 LEU HD22 1 1 1 304 1 1 20 LEU HD23 H 7.318 9.221 3.125 1.00 . A A . 20 LEU HD23 1 1 1 305 1 1 20 LEU HG H 6.864 9.930 0.258 1.00 . A A . 20 LEU HG 1 1 1 306 1 1 20 LEU N N 8.310 7.151 2.574 1.00 . A A . 20 LEU N 1 1 1 307 1 1 20 LEU O O 11.144 9.129 1.548 1.00 . A A . 20 LEU O 1 1 1 308 1 1 21 ARG C C 12.296 9.112 4.475 1.00 . A A . 21 ARG C 1 1 1 309 1 1 21 ARG CA C 10.952 9.791 4.233 1.00 . A A . 21 ARG CA 1 1 1 310 1 1 21 ARG CB C 10.328 10.203 5.567 1.00 . A A . 21 ARG CB 1 1 1 311 1 1 21 ARG CD C 10.775 11.892 7.374 1.00 . A A . 21 ARG CD 1 1 1 312 1 1 21 ARG CG C 10.503 11.677 5.893 1.00 . A A . 21 ARG CG 1 1 1 313 1 1 21 ARG CZ C 8.986 13.414 8.102 1.00 . A A . 21 ARG CZ 1 1 1 314 1 1 21 ARG H H 9.295 8.500 3.975 1.00 . A A . 21 ARG H 1 1 1 315 1 1 21 ARG HA H 11.111 10.674 3.632 1.00 . A A . 21 ARG HA 1 1 1 316 1 1 21 ARG HB2 H 9.271 9.987 5.538 1.00 . A A . 21 ARG HB2 1 1 1 317 1 1 21 ARG HB3 H 10.784 9.625 6.358 1.00 . A A . 21 ARG HB3 1 1 1 318 1 1 21 ARG HD2 H 11.203 10.989 7.783 1.00 . A A . 21 ARG HD2 1 1 1 319 1 1 21 ARG HD3 H 11.476 12.705 7.482 1.00 . A A . 21 ARG HD3 1 1 1 320 1 1 21 ARG HE H 9.144 11.500 8.640 1.00 . A A . 21 ARG HE 1 1 1 321 1 1 21 ARG HG2 H 11.338 12.064 5.326 1.00 . A A . 21 ARG HG2 1 1 1 322 1 1 21 ARG HG3 H 9.603 12.206 5.620 1.00 . A A . 21 ARG HG3 1 1 1 323 1 1 21 ARG HH11 H 10.358 14.241 6.869 1.00 . A A . 21 ARG HH11 1 1 1 324 1 1 21 ARG HH12 H 9.093 15.303 7.390 1.00 . A A . 21 ARG HH12 1 1 1 325 1 1 21 ARG HH21 H 7.472 12.889 9.332 1.00 . A A . 21 ARG HH21 1 1 1 326 1 1 21 ARG HH22 H 7.453 14.533 8.793 1.00 . A A . 21 ARG HH22 1 1 1 327 1 1 21 ARG N N 10.050 8.911 3.502 1.00 . A A . 21 ARG N 1 1 1 328 1 1 21 ARG NE N 9.556 12.214 8.112 1.00 . A A . 21 ARG NE 1 1 1 329 1 1 21 ARG NH1 N 9.524 14.400 7.397 1.00 . A A . 21 ARG NH1 1 1 1 330 1 1 21 ARG NH2 N 7.879 13.630 8.801 1.00 . A A . 21 ARG NH2 1 1 1 331 1 1 21 ARG O O 12.602 8.698 5.593 1.00 . A A . 21 ARG O 1 1 1 332 1 1 22 CYS C C 15.261 8.699 2.295 1.00 . A A . 22 CYS C 1 1 1 333 1 1 22 CYS CA C 14.408 8.371 3.517 1.00 . A A . 22 CYS CA 1 1 1 334 1 1 22 CYS CB C 14.260 6.855 3.657 1.00 . A A . 22 CYS CB 1 1 1 335 1 1 22 CYS H H 12.797 9.349 2.555 1.00 . A A . 22 CYS H 1 1 1 336 1 1 22 CYS HA H 14.898 8.757 4.397 1.00 . A A . 22 CYS HA 1 1 1 337 1 1 22 CYS HB2 H 15.214 6.431 3.936 1.00 . A A . 22 CYS HB2 1 1 1 338 1 1 22 CYS HB3 H 13.536 6.641 4.431 1.00 . A A . 22 CYS HB3 1 1 1 339 1 1 22 CYS N N 13.097 9.001 3.420 1.00 . A A . 22 CYS N 1 1 1 340 1 1 22 CYS O O 15.000 9.669 1.585 1.00 . A A . 22 CYS O 1 1 1 341 1 1 22 CYS SG S 13.708 6.018 2.136 1.00 . A A . 22 CYS SG 1 1 1 342 1 1 23 LYS C C 16.807 7.151 -0.230 1.00 . A A . 23 LYS C 1 1 1 343 1 1 23 LYS CA C 17.173 8.083 0.919 1.00 . A A . 23 LYS CA 1 1 1 344 1 1 23 LYS CB C 18.626 7.850 1.339 1.00 . A A . 23 LYS CB 1 1 1 345 1 1 23 LYS CD C 20.222 9.789 1.396 1.00 . A A . 23 LYS CD 1 1 1 346 1 1 23 LYS CE C 19.446 11.088 1.237 1.00 . A A . 23 LYS CE 1 1 1 347 1 1 23 LYS CG C 19.627 8.677 0.550 1.00 . A A . 23 LYS CG 1 1 1 348 1 1 23 LYS H H 16.439 7.125 2.659 1.00 . A A . 23 LYS H 1 1 1 349 1 1 23 LYS HA H 17.062 9.104 0.588 1.00 . A A . 23 LYS HA 1 1 1 350 1 1 23 LYS HB2 H 18.732 8.097 2.384 1.00 . A A . 23 LYS HB2 1 1 1 351 1 1 23 LYS HB3 H 18.866 6.805 1.199 1.00 . A A . 23 LYS HB3 1 1 1 352 1 1 23 LYS HD2 H 20.195 9.493 2.434 1.00 . A A . 23 LYS HD2 1 1 1 353 1 1 23 LYS HD3 H 21.247 9.952 1.093 1.00 . A A . 23 LYS HD3 1 1 1 354 1 1 23 LYS HE2 H 20.124 11.916 1.376 1.00 . A A . 23 LYS HE2 1 1 1 355 1 1 23 LYS HE3 H 19.033 11.124 0.239 1.00 . A A . 23 LYS HE3 1 1 1 356 1 1 23 LYS HG2 H 20.423 8.033 0.208 1.00 . A A . 23 LYS HG2 1 1 1 357 1 1 23 LYS HG3 H 19.126 9.115 -0.302 1.00 . A A . 23 LYS HG3 1 1 1 358 1 1 23 LYS HZ1 H 17.572 11.788 1.838 1.00 . A A . 23 LYS HZ1 1 1 1 359 1 1 23 LYS HZ2 H 18.684 11.629 3.105 1.00 . A A . 23 LYS HZ2 1 1 1 360 1 1 23 LYS HZ3 H 17.958 10.253 2.440 1.00 . A A . 23 LYS HZ3 1 1 1 361 1 1 23 LYS N N 16.282 7.882 2.055 1.00 . A A . 23 LYS N 1 1 1 362 1 1 23 LYS NZ N 18.337 11.196 2.224 1.00 . A A . 23 LYS NZ 1 1 1 363 1 1 23 LYS O O 16.807 7.554 -1.394 1.00 . A A . 23 LYS O 1 1 1 364 1 1 24 LEU C C 14.943 4.072 -0.430 1.00 . A A . 24 LEU C 1 1 1 365 1 1 24 LEU CA C 16.127 4.913 -0.902 1.00 . A A . 24 LEU CA 1 1 1 366 1 1 24 LEU CB C 17.317 4.005 -1.215 1.00 . A A . 24 LEU CB 1 1 1 367 1 1 24 LEU CD1 C 18.953 5.734 -2.002 1.00 . A A . 24 LEU CD1 1 1 1 368 1 1 24 LEU CD2 C 19.205 3.355 -2.731 1.00 . A A . 24 LEU CD2 1 1 1 369 1 1 24 LEU CG C 18.216 4.453 -2.368 1.00 . A A . 24 LEU CG 1 1 1 370 1 1 24 LEU H H 16.513 5.641 1.046 1.00 . A A . 24 LEU H 1 1 1 371 1 1 24 LEU HA H 15.841 5.442 -1.799 1.00 . A A . 24 LEU HA 1 1 1 372 1 1 24 LEU HB2 H 17.925 3.941 -0.326 1.00 . A A . 24 LEU HB2 1 1 1 373 1 1 24 LEU HB3 H 16.931 3.026 -1.459 1.00 . A A . 24 LEU HB3 1 1 1 374 1 1 24 LEU HD11 H 19.997 5.633 -2.258 1.00 . A A . 24 LEU HD11 1 1 1 375 1 1 24 LEU HD12 H 18.856 5.914 -0.942 1.00 . A A . 24 LEU HD12 1 1 1 376 1 1 24 LEU HD13 H 18.526 6.561 -2.549 1.00 . A A . 24 LEU HD13 1 1 1 377 1 1 24 LEU HD21 H 19.597 3.536 -3.722 1.00 . A A . 24 LEU HD21 1 1 1 378 1 1 24 LEU HD22 H 18.701 2.398 -2.715 1.00 . A A . 24 LEU HD22 1 1 1 379 1 1 24 LEU HD23 H 20.015 3.347 -2.017 1.00 . A A . 24 LEU HD23 1 1 1 380 1 1 24 LEU HG H 17.605 4.657 -3.235 1.00 . A A . 24 LEU HG 1 1 1 381 1 1 24 LEU N N 16.495 5.904 0.104 1.00 . A A . 24 LEU N 1 1 1 382 1 1 24 LEU O O 13.787 4.460 -0.600 1.00 . A A . 24 LEU O 1 1 1 383 1 1 25 TRP C C 13.331 2.731 1.700 1.00 . A A . 25 TRP C 1 1 1 384 1 1 25 TRP CA C 14.201 2.030 0.664 1.00 . A A . 25 TRP CA 1 1 1 385 1 1 25 TRP CB C 14.828 0.773 1.271 1.00 . A A . 25 TRP CB 1 1 1 386 1 1 25 TRP CD1 C 13.133 -0.041 3.013 1.00 . A A . 25 TRP CD1 1 1 1 387 1 1 25 TRP CD2 C 15.064 0.694 3.879 1.00 . A A . 25 TRP CD2 1 1 1 388 1 1 25 TRP CE2 C 14.228 0.280 4.933 1.00 . A A . 25 TRP CE2 1 1 1 389 1 1 25 TRP CE3 C 16.333 1.194 4.182 1.00 . A A . 25 TRP CE3 1 1 1 390 1 1 25 TRP CG C 14.345 0.482 2.659 1.00 . A A . 25 TRP CG 1 1 1 391 1 1 25 TRP CH2 C 15.869 0.844 6.536 1.00 . A A . 25 TRP CH2 1 1 1 392 1 1 25 TRP CZ2 C 14.621 0.351 6.267 1.00 . A A . 25 TRP CZ2 1 1 1 393 1 1 25 TRP CZ3 C 16.723 1.264 5.508 1.00 . A A . 25 TRP CZ3 1 1 1 394 1 1 25 TRP H H 16.181 2.669 0.271 1.00 . A A . 25 TRP H 1 1 1 395 1 1 25 TRP HA H 13.581 1.744 -0.174 1.00 . A A . 25 TRP HA 1 1 1 396 1 1 25 TRP HB2 H 14.590 -0.077 0.650 1.00 . A A . 25 TRP HB2 1 1 1 397 1 1 25 TRP HB3 H 15.900 0.898 1.308 1.00 . A A . 25 TRP HB3 1 1 1 398 1 1 25 TRP HD1 H 12.359 -0.310 2.312 1.00 . A A . 25 TRP HD1 1 1 1 399 1 1 25 TRP HE1 H 12.286 -0.514 4.875 1.00 . A A . 25 TRP HE1 1 1 1 400 1 1 25 TRP HE3 H 17.006 1.522 3.403 1.00 . A A . 25 TRP HE3 1 1 1 401 1 1 25 TRP HH2 H 16.214 0.917 7.556 1.00 . A A . 25 TRP HH2 1 1 1 402 1 1 25 TRP HZ2 H 13.975 0.031 7.071 1.00 . A A . 25 TRP HZ2 1 1 1 403 1 1 25 TRP HZ3 H 17.700 1.647 5.761 1.00 . A A . 25 TRP HZ3 1 1 1 404 1 1 25 TRP N N 15.241 2.924 0.163 1.00 . A A . 25 TRP N 1 1 1 405 1 1 25 TRP NE1 N 13.057 -0.162 4.379 1.00 . A A . 25 TRP NE1 1 1 1 406 1 1 25 TRP O O 13.775 2.999 2.818 1.00 . A A . 25 TRP O 1 1 1 407 1 1 26 CYS C C 11.297 3.166 3.646 1.00 . A A . 26 CYS C 1 1 1 408 1 1 26 CYS CA C 11.159 3.698 2.223 1.00 . A A . 26 CYS CA 1 1 1 409 1 1 26 CYS CB C 9.723 3.511 1.732 1.00 . A A . 26 CYS CB 1 1 1 410 1 1 26 CYS H H 11.797 2.790 0.420 1.00 . A A . 26 CYS H 1 1 1 411 1 1 26 CYS HA H 11.396 4.752 2.221 1.00 . A A . 26 CYS HA 1 1 1 412 1 1 26 CYS HB2 H 9.559 2.465 1.514 1.00 . A A . 26 CYS HB2 1 1 1 413 1 1 26 CYS HB3 H 9.041 3.823 2.511 1.00 . A A . 26 CYS HB3 1 1 1 414 1 1 26 CYS N N 12.092 3.027 1.325 1.00 . A A . 26 CYS N 1 1 1 415 1 1 26 CYS O O 11.226 1.959 3.878 1.00 . A A . 26 CYS O 1 1 1 416 1 1 26 CYS SG S 9.320 4.460 0.230 1.00 . A A . 26 CYS SG 1 1 1 417 1 1 27 ARG C C 10.277 3.544 6.663 1.00 . A A . 27 ARG C 1 1 1 418 1 1 27 ARG CA C 11.640 3.698 5.996 1.00 . A A . 27 ARG CA 1 1 1 419 1 1 27 ARG CB C 12.471 4.742 6.743 1.00 . A A . 27 ARG CB 1 1 1 420 1 1 27 ARG CD C 14.783 3.975 7.364 1.00 . A A . 27 ARG CD 1 1 1 421 1 1 27 ARG CG C 13.940 4.742 6.356 1.00 . A A . 27 ARG CG 1 1 1 422 1 1 27 ARG CZ C 15.856 5.714 8.731 1.00 . A A . 27 ARG CZ 1 1 1 423 1 1 27 ARG H H 11.540 5.023 4.348 1.00 . A A . 27 ARG H 1 1 1 424 1 1 27 ARG HA H 12.154 2.750 6.032 1.00 . A A . 27 ARG HA 1 1 1 425 1 1 27 ARG HB2 H 12.069 5.723 6.535 1.00 . A A . 27 ARG HB2 1 1 1 426 1 1 27 ARG HB3 H 12.400 4.549 7.803 1.00 . A A . 27 ARG HB3 1 1 1 427 1 1 27 ARG HD2 H 14.286 3.046 7.595 1.00 . A A . 27 ARG HD2 1 1 1 428 1 1 27 ARG HD3 H 15.746 3.769 6.926 1.00 . A A . 27 ARG HD3 1 1 1 429 1 1 27 ARG HE H 14.419 4.486 9.370 1.00 . A A . 27 ARG HE 1 1 1 430 1 1 27 ARG HG2 H 14.049 4.277 5.387 1.00 . A A . 27 ARG HG2 1 1 1 431 1 1 27 ARG HG3 H 14.292 5.762 6.308 1.00 . A A . 27 ARG HG3 1 1 1 432 1 1 27 ARG HH11 H 16.536 5.584 6.833 1.00 . A A . 27 ARG HH11 1 1 1 433 1 1 27 ARG HH12 H 17.285 6.805 7.807 1.00 . A A . 27 ARG HH12 1 1 1 434 1 1 27 ARG HH21 H 15.398 6.091 10.663 1.00 . A A . 27 ARG HH21 1 1 1 435 1 1 27 ARG HH22 H 16.639 7.092 9.987 1.00 . A A . 27 ARG HH22 1 1 1 436 1 1 27 ARG N N 11.492 4.076 4.595 1.00 . A A . 27 ARG N 1 1 1 437 1 1 27 ARG NE N 14.976 4.728 8.602 1.00 . A A . 27 ARG NE 1 1 1 438 1 1 27 ARG NH1 N 16.623 6.063 7.708 1.00 . A A . 27 ARG NH1 1 1 1 439 1 1 27 ARG NH2 N 15.974 6.352 9.889 1.00 . A A . 27 ARG NH2 1 1 1 440 1 1 27 ARG O O 10.023 4.121 7.722 1.00 . A A . 27 ARG O 1 1 1 441 1 1 28 LYS C C 8.061 1.346 7.532 1.00 . A A . 28 LYS C 1 1 1 442 1 1 28 LYS CA C 8.065 2.531 6.574 1.00 . A A . 28 LYS CA 1 1 1 443 1 1 28 LYS CB C 7.076 2.284 5.434 1.00 . A A . 28 LYS CB 1 1 1 444 1 1 28 LYS CD C 4.627 2.106 4.900 1.00 . A A . 28 LYS CD 1 1 1 445 1 1 28 LYS CE C 3.406 1.791 5.750 1.00 . A A . 28 LYS CE 1 1 1 446 1 1 28 LYS CG C 5.688 2.843 5.700 1.00 . A A . 28 LYS CG 1 1 1 447 1 1 28 LYS H H 9.663 2.329 5.199 1.00 . A A . 28 LYS H 1 1 1 448 1 1 28 LYS HA H 7.766 3.417 7.114 1.00 . A A . 28 LYS HA 1 1 1 449 1 1 28 LYS HB2 H 7.458 2.742 4.533 1.00 . A A . 28 LYS HB2 1 1 1 450 1 1 28 LYS HB3 H 6.986 1.218 5.274 1.00 . A A . 28 LYS HB3 1 1 1 451 1 1 28 LYS HD2 H 4.322 2.725 4.068 1.00 . A A . 28 LYS HD2 1 1 1 452 1 1 28 LYS HD3 H 5.045 1.181 4.528 1.00 . A A . 28 LYS HD3 1 1 1 453 1 1 28 LYS HE2 H 2.994 0.847 5.430 1.00 . A A . 28 LYS HE2 1 1 1 454 1 1 28 LYS HE3 H 3.714 1.718 6.784 1.00 . A A . 28 LYS HE3 1 1 1 455 1 1 28 LYS HG2 H 5.466 2.742 6.752 1.00 . A A . 28 LYS HG2 1 1 1 456 1 1 28 LYS HG3 H 5.673 3.887 5.425 1.00 . A A . 28 LYS HG3 1 1 1 457 1 1 28 LYS HZ1 H 1.488 2.437 5.234 1.00 . A A . 28 LYS HZ1 1 1 1 458 1 1 28 LYS HZ2 H 2.689 3.607 5.005 1.00 . A A . 28 LYS HZ2 1 1 1 459 1 1 28 LYS HZ3 H 2.146 3.246 6.565 1.00 . A A . 28 LYS HZ3 1 1 1 460 1 1 28 LYS N N 9.402 2.762 6.039 1.00 . A A . 28 LYS N 1 1 1 461 1 1 28 LYS NZ N 2.359 2.844 5.630 1.00 . A A . 28 LYS NZ 1 1 1 462 1 1 28 LYS O O 8.998 1.155 8.305 1.00 . A A . 28 LYS O 1 1 1 463 1 1 29 ILE C C 8.065 -1.555 8.170 1.00 . A A . 29 ILE C 1 1 1 464 1 1 29 ILE CA C 6.872 -0.621 8.338 1.00 . A A . 29 ILE CA 1 1 1 465 1 1 29 ILE CB C 5.578 -1.401 8.041 1.00 . A A . 29 ILE CB 1 1 1 466 1 1 29 ILE CD1 C 5.872 -1.285 5.516 1.00 . A A . 29 ILE CD1 1 1 1 467 1 1 29 ILE CG1 C 5.712 -2.175 6.728 1.00 . A A . 29 ILE CG1 1 1 1 468 1 1 29 ILE CG2 C 4.388 -0.454 7.985 1.00 . A A . 29 ILE CG2 1 1 1 469 1 1 29 ILE H H 6.281 0.752 6.837 1.00 . A A . 29 ILE H 1 1 1 470 1 1 29 ILE HA H 6.835 -0.277 9.359 1.00 . A A . 29 ILE HA 1 1 1 471 1 1 29 ILE HB H 5.413 -2.099 8.847 1.00 . A A . 29 ILE HB 1 1 1 472 1 1 29 ILE HD11 H 5.134 -0.497 5.548 1.00 . A A . 29 ILE HD11 1 1 1 473 1 1 29 ILE HD12 H 6.863 -0.856 5.513 1.00 . A A . 29 ILE HD12 1 1 1 474 1 1 29 ILE HD13 H 5.731 -1.871 4.618 1.00 . A A . 29 ILE HD13 1 1 1 475 1 1 29 ILE HG12 H 6.575 -2.818 6.783 1.00 . A A . 29 ILE HG12 1 1 1 476 1 1 29 ILE HG13 H 4.827 -2.778 6.584 1.00 . A A . 29 ILE HG13 1 1 1 477 1 1 29 ILE HG21 H 3.882 -0.568 7.038 1.00 . A A . 29 ILE HG21 1 1 1 478 1 1 29 ILE HG22 H 3.706 -0.686 8.788 1.00 . A A . 29 ILE HG22 1 1 1 479 1 1 29 ILE HG23 H 4.733 0.564 8.088 1.00 . A A . 29 ILE HG23 1 1 1 480 1 1 29 ILE N N 6.997 0.547 7.475 1.00 . A A . 29 ILE N 1 1 1 481 1 1 29 ILE O O 8.333 -2.395 9.031 1.00 . A A . 29 ILE O 1 1 1 482 1 1 30 ILE C C 9.546 -3.680 6.535 1.00 . A A . 30 ILE C 1 1 1 483 1 1 30 ILE CA C 9.947 -2.231 6.786 1.00 . A A . 30 ILE CA 1 1 1 484 1 1 30 ILE CB C 10.959 -2.183 7.948 1.00 . A A . 30 ILE CB 1 1 1 485 1 1 30 ILE CD1 C 11.371 0.227 7.247 1.00 . A A . 30 ILE CD1 1 1 1 486 1 1 30 ILE CG1 C 11.187 -0.739 8.396 1.00 . A A . 30 ILE CG1 1 1 1 487 1 1 30 ILE CG2 C 12.273 -2.830 7.531 1.00 . A A . 30 ILE CG2 1 1 1 488 1 1 30 ILE H H 8.519 -0.715 6.415 1.00 . A A . 30 ILE H 1 1 1 489 1 1 30 ILE HA H 10.430 -1.844 5.900 1.00 . A A . 30 ILE HA 1 1 1 490 1 1 30 ILE HB H 10.553 -2.751 8.771 1.00 . A A . 30 ILE HB 1 1 1 491 1 1 30 ILE HD11 H 11.664 1.194 7.633 1.00 . A A . 30 ILE HD11 1 1 1 492 1 1 30 ILE HD12 H 12.137 -0.143 6.582 1.00 . A A . 30 ILE HD12 1 1 1 493 1 1 30 ILE HD13 H 10.441 0.324 6.705 1.00 . A A . 30 ILE HD13 1 1 1 494 1 1 30 ILE HG12 H 10.338 -0.410 8.974 1.00 . A A . 30 ILE HG12 1 1 1 495 1 1 30 ILE HG13 H 12.075 -0.697 9.012 1.00 . A A . 30 ILE HG13 1 1 1 496 1 1 30 ILE HG21 H 12.456 -3.699 8.146 1.00 . A A . 30 ILE HG21 1 1 1 497 1 1 30 ILE HG22 H 12.215 -3.129 6.497 1.00 . A A . 30 ILE HG22 1 1 1 498 1 1 30 ILE HG23 H 13.078 -2.122 7.659 1.00 . A A . 30 ILE HG23 1 1 1 499 1 1 30 ILE N N 8.781 -1.403 7.062 1.00 . A A . 30 ILE N 1 1 1 500 1 1 30 ILE O O 10.349 -4.487 6.066 1.00 . A A . 30 ILE O 1 1 2 501 1 1 1 ARG C C 0.818 -3.771 4.349 1.00 . A A . 1 ARG C 1 1 2 502 1 1 1 ARG CA C 1.447 -4.130 5.680 1.00 . A A . 1 ARG CA 1 1 2 503 1 1 1 ARG H1 H 3.271 -4.509 4.674 1.00 . A A . 1 ARG H1 1 1 2 504 1 1 1 ARG HA H 0.872 -4.920 6.137 1.00 . A A . 1 ARG HA 1 1 2 505 1 1 1 ARG N N 2.823 -4.570 5.544 1.00 . A A . 1 ARG N 1 1 2 506 1 1 1 ARG O O 1.264 -4.236 3.298 1.00 . A A . 1 ARG O 1 1 2 507 1 1 2 TYR C C -0.185 -1.372 2.501 1.00 . A A . 2 TYR C 1 1 2 508 1 1 2 TYR CA C -0.916 -2.530 3.179 1.00 . A A . 2 TYR CA 1 1 2 509 1 1 2 TYR CB C -2.352 -2.116 3.505 1.00 . A A . 2 TYR CB 1 1 2 510 1 1 2 TYR CD1 C -3.341 -3.864 5.036 1.00 . A A . 2 TYR CD1 1 1 2 511 1 1 2 TYR CD2 C -4.071 -3.814 2.770 1.00 . A A . 2 TYR CD2 1 1 2 512 1 1 2 TYR CE1 C -4.177 -4.934 5.287 1.00 . A A . 2 TYR CE1 1 1 2 513 1 1 2 TYR CE2 C -4.913 -4.882 3.011 1.00 . A A . 2 TYR CE2 1 1 2 514 1 1 2 TYR CG C -3.271 -3.286 3.775 1.00 . A A . 2 TYR CG 1 1 2 515 1 1 2 TYR CZ C -4.962 -5.438 4.272 1.00 . A A . 2 TYR CZ 1 1 2 516 1 1 2 TYR H H -0.531 -2.610 5.259 1.00 . A A . 2 TYR H 1 1 2 517 1 1 2 TYR HA H -0.939 -3.371 2.503 1.00 . A A . 2 TYR HA 1 1 2 518 1 1 2 TYR HB2 H -2.349 -1.489 4.383 1.00 . A A . 2 TYR HB2 1 1 2 519 1 1 2 TYR HB3 H -2.758 -1.560 2.672 1.00 . A A . 2 TYR HB3 1 1 2 520 1 1 2 TYR HD1 H -2.725 -3.468 5.831 1.00 . A A . 2 TYR HD1 1 1 2 521 1 1 2 TYR HD2 H -4.030 -3.377 1.782 1.00 . A A . 2 TYR HD2 1 1 2 522 1 1 2 TYR HE1 H -4.219 -5.370 6.275 1.00 . A A . 2 TYR HE1 1 1 2 523 1 1 2 TYR HE2 H -5.526 -5.278 2.215 1.00 . A A . 2 TYR HE2 1 1 2 524 1 1 2 TYR HH H -6.093 -6.476 5.429 1.00 . A A . 2 TYR HH 1 1 2 525 1 1 2 TYR N N -0.222 -2.945 4.391 1.00 . A A . 2 TYR N 1 1 2 526 1 1 2 TYR O O -0.446 -0.204 2.787 1.00 . A A . 2 TYR O 1 1 2 527 1 1 2 TYR OH O -5.799 -6.504 4.517 1.00 . A A . 2 TYR OH 1 1 2 528 1 1 3 CYS C C 1.867 -1.191 -0.515 1.00 . A A . 3 CYS C 1 1 2 529 1 1 3 CYS CA C 1.503 -0.702 0.883 1.00 . A A . 3 CYS CA 1 1 2 530 1 1 3 CYS CB C 2.774 -0.353 1.658 1.00 . A A . 3 CYS CB 1 1 2 531 1 1 3 CYS H H 0.897 -2.659 1.418 1.00 . A A . 3 CYS H 1 1 2 532 1 1 3 CYS HA H 0.892 0.184 0.793 1.00 . A A . 3 CYS HA 1 1 2 533 1 1 3 CYS HB2 H 3.104 -1.223 2.208 1.00 . A A . 3 CYS HB2 1 1 2 534 1 1 3 CYS HB3 H 3.545 -0.061 0.961 1.00 . A A . 3 CYS HB3 1 1 2 535 1 1 3 CYS N N 0.732 -1.708 1.602 1.00 . A A . 3 CYS N 1 1 2 536 1 1 3 CYS O O 1.388 -2.233 -0.963 1.00 . A A . 3 CYS O 1 1 2 537 1 1 3 CYS SG S 2.567 1.007 2.854 1.00 . A A . 3 CYS SG 1 1 2 538 1 1 4 GLN C C 4.660 -0.931 -2.619 1.00 . A A . 4 GLN C 1 1 2 539 1 1 4 GLN CA C 3.143 -0.788 -2.550 1.00 . A A . 4 GLN CA 1 1 2 540 1 1 4 GLN CB C 2.672 0.266 -3.551 1.00 . A A . 4 GLN CB 1 1 2 541 1 1 4 GLN CD C 0.206 0.217 -2.989 1.00 . A A . 4 GLN CD 1 1 2 542 1 1 4 GLN CG C 1.466 1.061 -3.077 1.00 . A A . 4 GLN CG 1 1 2 543 1 1 4 GLN H H 3.063 0.386 -0.789 1.00 . A A . 4 GLN H 1 1 2 544 1 1 4 GLN HA H 2.692 -1.736 -2.798 1.00 . A A . 4 GLN HA 1 1 2 545 1 1 4 GLN HB2 H 3.480 0.957 -3.739 1.00 . A A . 4 GLN HB2 1 1 2 546 1 1 4 GLN HB3 H 2.407 -0.227 -4.476 1.00 . A A . 4 GLN HB3 1 1 2 547 1 1 4 GLN HE21 H 0.312 -0.182 -4.934 1.00 . A A . 4 GLN HE21 1 1 2 548 1 1 4 GLN HE22 H -1.018 -0.893 -4.091 1.00 . A A . 4 GLN HE22 1 1 2 549 1 1 4 GLN HG2 H 1.678 1.464 -2.096 1.00 . A A . 4 GLN HG2 1 1 2 550 1 1 4 GLN HG3 H 1.290 1.872 -3.767 1.00 . A A . 4 GLN HG3 1 1 2 551 1 1 4 GLN N N 2.716 -0.432 -1.200 1.00 . A A . 4 GLN N 1 1 2 552 1 1 4 GLN NE2 N -0.210 -0.342 -4.119 1.00 . A A . 4 GLN NE2 1 1 2 553 1 1 4 GLN O O 5.365 0.008 -2.987 1.00 . A A . 4 GLN O 1 1 2 554 1 1 4 GLN OE1 O -0.382 0.071 -1.918 1.00 . A A . 4 GLN OE1 1 1 2 555 1 1 5 LYS C C 7.379 -1.137 -1.900 1.00 . A A . 5 LYS C 1 1 2 556 1 1 5 LYS CA C 6.588 -2.379 -2.290 1.00 . A A . 5 LYS CA 1 1 2 557 1 1 5 LYS CB C 7.016 -2.856 -3.679 1.00 . A A . 5 LYS CB 1 1 2 558 1 1 5 LYS CD C 7.608 -4.879 -5.047 1.00 . A A . 5 LYS CD 1 1 2 559 1 1 5 LYS CE C 8.986 -5.269 -4.533 1.00 . A A . 5 LYS CE 1 1 2 560 1 1 5 LYS CG C 6.733 -4.326 -3.933 1.00 . A A . 5 LYS CG 1 1 2 561 1 1 5 LYS H H 4.541 -2.822 -1.983 1.00 . A A . 5 LYS H 1 1 2 562 1 1 5 LYS HA H 6.791 -3.161 -1.574 1.00 . A A . 5 LYS HA 1 1 2 563 1 1 5 LYS HB2 H 6.489 -2.277 -4.424 1.00 . A A . 5 LYS HB2 1 1 2 564 1 1 5 LYS HB3 H 8.077 -2.690 -3.793 1.00 . A A . 5 LYS HB3 1 1 2 565 1 1 5 LYS HD2 H 7.133 -5.752 -5.467 1.00 . A A . 5 LYS HD2 1 1 2 566 1 1 5 LYS HD3 H 7.718 -4.123 -5.814 1.00 . A A . 5 LYS HD3 1 1 2 567 1 1 5 LYS HE2 H 9.593 -4.379 -4.460 1.00 . A A . 5 LYS HE2 1 1 2 568 1 1 5 LYS HE3 H 8.879 -5.713 -3.556 1.00 . A A . 5 LYS HE3 1 1 2 569 1 1 5 LYS HG2 H 6.931 -4.881 -3.028 1.00 . A A . 5 LYS HG2 1 1 2 570 1 1 5 LYS HG3 H 5.697 -4.443 -4.211 1.00 . A A . 5 LYS HG3 1 1 2 571 1 1 5 LYS HZ1 H 8.999 -6.558 -6.177 1.00 . A A . 5 LYS HZ1 1 1 2 572 1 1 5 LYS HZ2 H 9.976 -7.070 -4.895 1.00 . A A . 5 LYS HZ2 1 1 2 573 1 1 5 LYS HZ3 H 10.484 -5.799 -5.888 1.00 . A A . 5 LYS HZ3 1 1 2 574 1 1 5 LYS N N 5.155 -2.112 -2.266 1.00 . A A . 5 LYS N 1 1 2 575 1 1 5 LYS NZ N 9.658 -6.242 -5.438 1.00 . A A . 5 LYS NZ 1 1 2 576 1 1 5 LYS O O 8.349 -0.772 -2.568 1.00 . A A . 5 LYS O 1 1 2 577 1 1 6 TRP C C 9.149 0.582 -0.481 1.00 . A A . 6 TRP C 1 1 2 578 1 1 6 TRP CA C 7.637 0.712 -0.339 1.00 . A A . 6 TRP CA 1 1 2 579 1 1 6 TRP CB C 7.270 0.980 1.122 1.00 . A A . 6 TRP CB 1 1 2 580 1 1 6 TRP CD1 C 8.909 0.667 3.068 1.00 . A A . 6 TRP CD1 1 1 2 581 1 1 6 TRP CD2 C 8.151 -1.246 2.187 1.00 . A A . 6 TRP CD2 1 1 2 582 1 1 6 TRP CE2 C 9.036 -1.556 3.238 1.00 . A A . 6 TRP CE2 1 1 2 583 1 1 6 TRP CE3 C 7.549 -2.293 1.484 1.00 . A A . 6 TRP CE3 1 1 2 584 1 1 6 TRP CG C 8.083 0.181 2.094 1.00 . A A . 6 TRP CG 1 1 2 585 1 1 6 TRP CH2 C 8.728 -3.871 2.894 1.00 . A A . 6 TRP CH2 1 1 2 586 1 1 6 TRP CZ2 C 9.332 -2.867 3.600 1.00 . A A . 6 TRP CZ2 1 1 2 587 1 1 6 TRP CZ3 C 7.845 -3.595 1.844 1.00 . A A . 6 TRP CZ3 1 1 2 588 1 1 6 TRP H H 6.186 -0.831 -0.326 1.00 . A A . 6 TRP H 1 1 2 589 1 1 6 TRP HA H 7.300 1.541 -0.943 1.00 . A A . 6 TRP HA 1 1 2 590 1 1 6 TRP HB2 H 7.424 2.026 1.341 1.00 . A A . 6 TRP HB2 1 1 2 591 1 1 6 TRP HB3 H 6.230 0.733 1.275 1.00 . A A . 6 TRP HB3 1 1 2 592 1 1 6 TRP HD1 H 9.076 1.718 3.254 1.00 . A A . 6 TRP HD1 1 1 2 593 1 1 6 TRP HE1 H 10.115 -0.278 4.505 1.00 . A A . 6 TRP HE1 1 1 2 594 1 1 6 TRP HE3 H 6.864 -2.101 0.670 1.00 . A A . 6 TRP HE3 1 1 2 595 1 1 6 TRP HH2 H 8.930 -4.904 3.142 1.00 . A A . 6 TRP HH2 1 1 2 596 1 1 6 TRP HZ2 H 10.010 -3.098 4.408 1.00 . A A . 6 TRP HZ2 1 1 2 597 1 1 6 TRP HZ3 H 7.389 -4.418 1.312 1.00 . A A . 6 TRP HZ3 1 1 2 598 1 1 6 TRP N N 6.964 -0.490 -0.817 1.00 . A A . 6 TRP N 1 1 2 599 1 1 6 TRP NE1 N 9.485 -0.371 3.758 1.00 . A A . 6 TRP NE1 1 1 2 600 1 1 6 TRP O O 9.882 1.551 -0.701 1.00 . A A . 6 TRP O 1 1 2 601 1 1 7 NLE C C 11.889 -0.247 -1.472 1.00 . A A . 7 NLE C 1 1 2 602 1 1 7 NLE CA C 11.117 -0.937 -0.294 1.00 . A A . 7 NLE CA 1 1 2 603 1 1 7 NLE CB C 11.285 -2.482 -0.231 1.00 . A A . 7 NLE CB 1 1 2 604 1 1 7 NLE CD C 12.824 -4.135 1.003 1.00 . A A . 7 NLE CD 1 1 2 605 1 1 7 NLE CE C 13.480 -5.287 0.368 1.00 . A A . 7 NLE CE 1 1 2 606 1 1 7 NLE CG C 12.739 -2.956 0.020 1.00 . A A . 7 NLE CG 1 1 2 607 1 1 7 NLE H H 8.946 -1.375 -0.172 1.00 . A A . 7 NLE H 1 1 2 608 1 1 7 NLE HA H 11.527 -0.555 0.665 1.00 . A A . 7 NLE HA 1 1 2 609 1 1 7 NLE HB2 H 10.643 -2.889 0.575 1.00 . A A . 7 NLE HB2 1 1 2 610 1 1 7 NLE HB3 H 10.907 -2.943 -1.166 1.00 . A A . 7 NLE HB3 1 1 2 611 1 1 7 NLE HD2 H 13.389 -3.853 1.913 1.00 . A A . 7 NLE HD2 1 1 2 612 1 1 7 NLE HD3 H 11.816 -4.433 1.354 1.00 . A A . 7 NLE HD3 1 1 2 613 1 1 7 NLE HE1 H 14.442 -5.048 0.091 1.00 . A A . 7 NLE HE1 1 1 2 614 1 1 7 NLE HE2 H 13.516 -6.072 1.030 1.00 . A A . 7 NLE HE2 1 1 2 615 1 1 7 NLE HE3 H 12.956 -5.589 -0.463 1.00 . A A . 7 NLE HE3 1 1 2 616 1 1 7 NLE HG2 H 13.215 -3.254 -0.937 1.00 . A A . 7 NLE HG2 1 1 2 617 1 1 7 NLE HG3 H 13.364 -2.127 0.406 1.00 . A A . 7 NLE HG3 1 1 2 618 1 1 7 NLE N N 9.654 -0.656 -0.353 1.00 . A A . 7 NLE N 1 1 2 619 1 1 7 NLE O O 13.115 -0.161 -1.431 1.00 . A A . 7 NLE O 1 1 2 620 1 1 8 TRP C C 12.791 1.954 -3.139 1.00 . A A . 8 TRP C 1 1 2 621 1 1 8 TRP CA C 11.782 0.913 -3.609 1.00 . A A . 8 TRP CA 1 1 2 622 1 1 8 TRP CB C 10.711 1.578 -4.477 1.00 . A A . 8 TRP CB 1 1 2 623 1 1 8 TRP CD1 C 9.790 -0.698 -5.215 1.00 . A A . 8 TRP CD1 1 1 2 624 1 1 8 TRP CD2 C 8.263 0.939 -5.156 1.00 . A A . 8 TRP CD2 1 1 2 625 1 1 8 TRP CE2 C 7.633 -0.248 -5.575 1.00 . A A . 8 TRP CE2 1 1 2 626 1 1 8 TRP CE3 C 7.498 2.103 -5.044 1.00 . A A . 8 TRP CE3 1 1 2 627 1 1 8 TRP CG C 9.643 0.632 -4.932 1.00 . A A . 8 TRP CG 1 1 2 628 1 1 8 TRP CH2 C 5.550 0.852 -5.762 1.00 . A A . 8 TRP CH2 1 1 2 629 1 1 8 TRP CZ2 C 6.275 -0.303 -5.882 1.00 . A A . 8 TRP CZ2 1 1 2 630 1 1 8 TRP CZ3 C 6.150 2.048 -5.347 1.00 . A A . 8 TRP CZ3 1 1 2 631 1 1 8 TRP H H 10.186 0.138 -2.449 1.00 . A A . 8 TRP H 1 1 2 632 1 1 8 TRP HA H 12.296 0.168 -4.196 1.00 . A A . 8 TRP HA 1 1 2 633 1 1 8 TRP HB2 H 10.239 2.367 -3.914 1.00 . A A . 8 TRP HB2 1 1 2 634 1 1 8 TRP HB3 H 11.182 1.998 -5.355 1.00 . A A . 8 TRP HB3 1 1 2 635 1 1 8 TRP HD1 H 10.723 -1.233 -5.143 1.00 . A A . 8 TRP HD1 1 1 2 636 1 1 8 TRP HE1 H 8.434 -2.167 -5.858 1.00 . A A . 8 TRP HE1 1 1 2 637 1 1 8 TRP HE3 H 7.943 3.035 -4.727 1.00 . A A . 8 TRP HE3 1 1 2 638 1 1 8 TRP HH2 H 4.495 0.855 -5.989 1.00 . A A . 8 TRP HH2 1 1 2 639 1 1 8 TRP HZ2 H 5.796 -1.218 -6.201 1.00 . A A . 8 TRP HZ2 1 1 2 640 1 1 8 TRP HZ3 H 5.544 2.938 -5.268 1.00 . A A . 8 TRP HZ3 1 1 2 641 1 1 8 TRP N N 11.163 0.237 -2.473 1.00 . A A . 8 TRP N 1 1 2 642 1 1 8 TRP NE1 N 8.585 -1.232 -5.603 1.00 . A A . 8 TRP NE1 1 1 2 643 1 1 8 TRP O O 12.824 2.317 -1.962 1.00 . A A . 8 TRP O 1 1 2 644 1 1 9 THR C C 14.038 4.839 -3.765 1.00 . A A . 9 THR C 1 1 2 645 1 1 9 THR CA C 14.626 3.432 -3.745 1.00 . A A . 9 THR CA 1 1 2 646 1 1 9 THR CB C 15.809 3.370 -4.728 1.00 . A A . 9 THR CB 1 1 2 647 1 1 9 THR CG2 C 16.794 2.284 -4.323 1.00 . A A . 9 THR CG2 1 1 2 648 1 1 9 THR H H 13.540 2.105 -4.985 1.00 . A A . 9 THR H 1 1 2 649 1 1 9 THR HA H 14.999 3.223 -2.753 1.00 . A A . 9 THR HA 1 1 2 650 1 1 9 THR HB H 16.321 4.321 -4.716 1.00 . A A . 9 THR HB 1 1 2 651 1 1 9 THR HG1 H 14.768 3.841 -6.337 1.00 . A A . 9 THR HG1 1 1 2 652 1 1 9 THR HG21 H 17.797 2.595 -4.572 1.00 . A A . 9 THR HG21 1 1 2 653 1 1 9 THR HG22 H 16.560 1.371 -4.849 1.00 . A A . 9 THR HG22 1 1 2 654 1 1 9 THR HG23 H 16.723 2.113 -3.260 1.00 . A A . 9 THR HG23 1 1 2 655 1 1 9 THR N N 13.616 2.433 -4.065 1.00 . A A . 9 THR N 1 1 2 656 1 1 9 THR O O 14.409 5.666 -4.598 1.00 . A A . 9 THR O 1 1 2 657 1 1 9 THR OG1 O 15.331 3.114 -6.054 1.00 . A A . 9 THR OG1 1 1 2 658 1 1 10 CYS C C 13.480 7.527 -3.022 1.00 . A A . 10 CYS C 1 1 2 659 1 1 10 CYS CA C 12.475 6.409 -2.756 1.00 . A A . 10 CYS CA 1 1 2 660 1 1 10 CYS CB C 11.840 6.596 -1.376 1.00 . A A . 10 CYS CB 1 1 2 661 1 1 10 CYS H H 12.862 4.401 -2.207 1.00 . A A . 10 CYS H 1 1 2 662 1 1 10 CYS HA H 11.701 6.450 -3.508 1.00 . A A . 10 CYS HA 1 1 2 663 1 1 10 CYS HB2 H 11.118 7.399 -1.428 1.00 . A A . 10 CYS HB2 1 1 2 664 1 1 10 CYS HB3 H 11.337 5.684 -1.094 1.00 . A A . 10 CYS HB3 1 1 2 665 1 1 10 CYS N N 13.117 5.102 -2.845 1.00 . A A . 10 CYS N 1 1 2 666 1 1 10 CYS O O 14.653 7.420 -2.665 1.00 . A A . 10 CYS O 1 1 2 667 1 1 10 CYS SG S 13.030 7.006 -0.059 1.00 . A A . 10 CYS SG 1 1 2 668 1 1 11 ASP C C 13.183 11.048 -3.588 1.00 . A A . 11 ASP C 1 1 2 669 1 1 11 ASP CA C 13.865 9.738 -3.965 1.00 . A A . 11 ASP CA 1 1 2 670 1 1 11 ASP CB C 14.221 9.743 -5.451 1.00 . A A . 11 ASP CB 1 1 2 671 1 1 11 ASP CG C 15.614 9.206 -5.714 1.00 . A A . 11 ASP CG 1 1 2 672 1 1 11 ASP H H 12.065 8.625 -3.910 1.00 . A A . 11 ASP H 1 1 2 673 1 1 11 ASP HA H 14.771 9.639 -3.386 1.00 . A A . 11 ASP HA 1 1 2 674 1 1 11 ASP HB2 H 13.513 9.126 -5.986 1.00 . A A . 11 ASP HB2 1 1 2 675 1 1 11 ASP HB3 H 14.167 10.753 -5.825 1.00 . A A . 11 ASP HB3 1 1 2 676 1 1 11 ASP N N 13.010 8.599 -3.651 1.00 . A A . 11 ASP N 1 1 2 677 1 1 11 ASP O O 13.500 11.653 -2.563 1.00 . A A . 11 ASP O 1 1 2 678 1 1 11 ASP OD1 O 16.574 10.006 -5.686 1.00 . A A . 11 ASP OD1 1 1 2 679 1 1 11 ASP OD2 O 15.748 7.986 -5.948 1.00 . A A . 11 ASP OD2 1 1 2 680 1 1 12 SER C C 10.155 12.448 -3.567 1.00 . A A . 12 SER C 1 1 2 681 1 1 12 SER CA C 11.522 12.726 -4.183 1.00 . A A . 12 SER CA 1 1 2 682 1 1 12 SER CB C 11.357 13.508 -5.488 1.00 . A A . 12 SER CB 1 1 2 683 1 1 12 SER H H 12.039 10.957 -5.226 1.00 . A A . 12 SER H 1 1 2 684 1 1 12 SER HA H 12.102 13.318 -3.490 1.00 . A A . 12 SER HA 1 1 2 685 1 1 12 SER HB2 H 10.753 14.384 -5.305 1.00 . A A . 12 SER HB2 1 1 2 686 1 1 12 SER HB3 H 12.327 13.806 -5.851 1.00 . A A . 12 SER HB3 1 1 2 687 1 1 12 SER HG H 11.372 12.430 -7.124 1.00 . A A . 12 SER HG 1 1 2 688 1 1 12 SER N N 12.247 11.485 -4.424 1.00 . A A . 12 SER N 1 1 2 689 1 1 12 SER O O 9.601 13.283 -2.851 1.00 . A A . 12 SER O 1 1 2 690 1 1 12 SER OG O 10.723 12.715 -6.478 1.00 . A A . 12 SER OG 1 1 2 691 1 1 13 LYS C C 7.966 9.448 -3.738 1.00 . A A . 13 LYS C 1 1 2 692 1 1 13 LYS CA C 8.314 10.874 -3.322 1.00 . A A . 13 LYS CA 1 1 2 693 1 1 13 LYS CB C 7.231 11.838 -3.811 1.00 . A A . 13 LYS CB 1 1 2 694 1 1 13 LYS CD C 6.204 13.061 -5.752 1.00 . A A . 13 LYS CD 1 1 2 695 1 1 13 LYS CE C 6.199 13.241 -7.261 1.00 . A A . 13 LYS CE 1 1 2 696 1 1 13 LYS CG C 7.171 11.970 -5.323 1.00 . A A . 13 LYS CG 1 1 2 697 1 1 13 LYS H H 10.106 10.643 -4.424 1.00 . A A . 13 LYS H 1 1 2 698 1 1 13 LYS HA H 8.364 10.919 -2.245 1.00 . A A . 13 LYS HA 1 1 2 699 1 1 13 LYS HB2 H 6.271 11.489 -3.463 1.00 . A A . 13 LYS HB2 1 1 2 700 1 1 13 LYS HB3 H 7.421 12.816 -3.393 1.00 . A A . 13 LYS HB3 1 1 2 701 1 1 13 LYS HD2 H 5.210 12.795 -5.427 1.00 . A A . 13 LYS HD2 1 1 2 702 1 1 13 LYS HD3 H 6.498 13.992 -5.288 1.00 . A A . 13 LYS HD3 1 1 2 703 1 1 13 LYS HE2 H 7.026 12.686 -7.679 1.00 . A A . 13 LYS HE2 1 1 2 704 1 1 13 LYS HE3 H 5.270 12.853 -7.653 1.00 . A A . 13 LYS HE3 1 1 2 705 1 1 13 LYS HG2 H 8.158 12.211 -5.693 1.00 . A A . 13 LYS HG2 1 1 2 706 1 1 13 LYS HG3 H 6.847 11.028 -5.745 1.00 . A A . 13 LYS HG3 1 1 2 707 1 1 13 LYS HZ1 H 6.016 15.284 -6.870 1.00 . A A . 13 LYS HZ1 1 1 2 708 1 1 13 LYS HZ2 H 5.745 14.871 -8.487 1.00 . A A . 13 LYS HZ2 1 1 2 709 1 1 13 LYS HZ3 H 7.322 14.895 -7.872 1.00 . A A . 13 LYS HZ3 1 1 2 710 1 1 13 LYS N N 9.617 11.267 -3.848 1.00 . A A . 13 LYS N 1 1 2 711 1 1 13 LYS NZ N 6.330 14.673 -7.649 1.00 . A A . 13 LYS NZ 1 1 2 712 1 1 13 LYS O O 7.372 8.695 -2.967 1.00 . A A . 13 LYS O 1 1 2 713 1 1 14 ARG C C 6.590 7.399 -5.325 1.00 . A A . 14 ARG C 1 1 2 714 1 1 14 ARG CA C 8.067 7.751 -5.478 1.00 . A A . 14 ARG CA 1 1 2 715 1 1 14 ARG CB C 8.929 6.714 -4.755 1.00 . A A . 14 ARG CB 1 1 2 716 1 1 14 ARG CD C 9.321 5.315 -6.805 1.00 . A A . 14 ARG CD 1 1 2 717 1 1 14 ARG CG C 9.969 6.057 -5.646 1.00 . A A . 14 ARG CG 1 1 2 718 1 1 14 ARG CZ C 10.060 4.144 -8.838 1.00 . A A . 14 ARG CZ 1 1 2 719 1 1 14 ARG H H 8.810 9.732 -5.528 1.00 . A A . 14 ARG H 1 1 2 720 1 1 14 ARG HA H 8.318 7.745 -6.529 1.00 . A A . 14 ARG HA 1 1 2 721 1 1 14 ARG HB2 H 9.442 7.198 -3.937 1.00 . A A . 14 ARG HB2 1 1 2 722 1 1 14 ARG HB3 H 8.286 5.942 -4.360 1.00 . A A . 14 ARG HB3 1 1 2 723 1 1 14 ARG HD2 H 8.606 4.608 -6.407 1.00 . A A . 14 ARG HD2 1 1 2 724 1 1 14 ARG HD3 H 8.809 6.029 -7.433 1.00 . A A . 14 ARG HD3 1 1 2 725 1 1 14 ARG HE H 11.186 4.435 -7.216 1.00 . A A . 14 ARG HE 1 1 2 726 1 1 14 ARG HG2 H 10.622 6.818 -6.043 1.00 . A A . 14 ARG HG2 1 1 2 727 1 1 14 ARG HG3 H 10.544 5.357 -5.058 1.00 . A A . 14 ARG HG3 1 1 2 728 1 1 14 ARG HH11 H 8.162 4.833 -8.895 1.00 . A A . 14 ARG HH11 1 1 2 729 1 1 14 ARG HH12 H 8.694 4.007 -10.321 1.00 . A A . 14 ARG HH12 1 1 2 730 1 1 14 ARG HH21 H 11.899 3.346 -9.088 1.00 . A A . 14 ARG HH21 1 1 2 731 1 1 14 ARG HH22 H 10.820 3.161 -10.430 1.00 . A A . 14 ARG HH22 1 1 2 732 1 1 14 ARG N N 8.340 9.086 -4.962 1.00 . A A . 14 ARG N 1 1 2 733 1 1 14 ARG NE N 10.302 4.593 -7.610 1.00 . A A . 14 ARG NE 1 1 2 734 1 1 14 ARG NH1 N 8.873 4.344 -9.397 1.00 . A A . 14 ARG NH1 1 1 2 735 1 1 14 ARG NH2 N 11.003 3.498 -9.507 1.00 . A A . 14 ARG NH2 1 1 2 736 1 1 14 ARG O O 5.778 8.240 -4.940 1.00 . A A . 14 ARG O 1 1 2 737 1 1 15 ALA C C 4.632 4.988 -4.188 1.00 . A A . 15 ALA C 1 1 2 738 1 1 15 ALA CA C 4.872 5.686 -5.521 1.00 . A A . 15 ALA CA 1 1 2 739 1 1 15 ALA CB C 4.539 4.754 -6.677 1.00 . A A . 15 ALA CB 1 1 2 740 1 1 15 ALA H H 6.943 5.526 -5.929 1.00 . A A . 15 ALA H 1 1 2 741 1 1 15 ALA HA H 4.224 6.549 -5.587 1.00 . A A . 15 ALA HA 1 1 2 742 1 1 15 ALA HB1 H 5.430 4.225 -6.980 1.00 . A A . 15 ALA HB1 1 1 2 743 1 1 15 ALA HB2 H 3.788 4.046 -6.360 1.00 . A A . 15 ALA HB2 1 1 2 744 1 1 15 ALA HB3 H 4.162 5.333 -7.507 1.00 . A A . 15 ALA HB3 1 1 2 745 1 1 15 ALA N N 6.249 6.150 -5.627 1.00 . A A . 15 ALA N 1 1 2 746 1 1 15 ALA O O 3.624 4.299 -4.010 1.00 . A A . 15 ALA O 1 1 2 747 1 1 16 CYS C C 4.179 5.018 -1.225 1.00 . A A . 16 CYS C 1 1 2 748 1 1 16 CYS CA C 5.446 4.553 -1.936 1.00 . A A . 16 CYS CA 1 1 2 749 1 1 16 CYS CB C 6.675 4.890 -1.089 1.00 . A A . 16 CYS CB 1 1 2 750 1 1 16 CYS H H 6.339 5.727 -3.456 1.00 . A A . 16 CYS H 1 1 2 751 1 1 16 CYS HA H 5.396 3.482 -2.071 1.00 . A A . 16 CYS HA 1 1 2 752 1 1 16 CYS HB2 H 6.885 5.945 -1.176 1.00 . A A . 16 CYS HB2 1 1 2 753 1 1 16 CYS HB3 H 6.464 4.656 -0.054 1.00 . A A . 16 CYS HB3 1 1 2 754 1 1 16 CYS N N 5.558 5.168 -3.253 1.00 . A A . 16 CYS N 1 1 2 755 1 1 16 CYS O O 3.321 5.671 -1.821 1.00 . A A . 16 CYS O 1 1 2 756 1 1 16 CYS SG S 8.181 3.984 -1.567 1.00 . A A . 16 CYS SG 1 1 2 757 1 1 17 CYS C C 3.260 6.184 1.823 1.00 . A A . 17 CYS C 1 1 2 758 1 1 17 CYS CA C 2.908 5.063 0.850 1.00 . A A . 17 CYS CA 1 1 2 759 1 1 17 CYS CB C 2.370 3.855 1.622 1.00 . A A . 17 CYS CB 1 1 2 760 1 1 17 CYS H H 4.786 4.160 0.478 1.00 . A A . 17 CYS H 1 1 2 761 1 1 17 CYS HA H 2.145 5.416 0.174 1.00 . A A . 17 CYS HA 1 1 2 762 1 1 17 CYS HB2 H 2.031 4.179 2.593 1.00 . A A . 17 CYS HB2 1 1 2 763 1 1 17 CYS HB3 H 1.537 3.433 1.078 1.00 . A A . 17 CYS HB3 1 1 2 764 1 1 17 CYS N N 4.069 4.679 0.056 1.00 . A A . 17 CYS N 1 1 2 765 1 1 17 CYS O O 3.004 7.358 1.552 1.00 . A A . 17 CYS O 1 1 2 766 1 1 17 CYS SG S 3.596 2.531 1.877 1.00 . A A . 17 CYS SG 1 1 2 767 1 1 18 GLU C C 5.653 6.525 4.466 1.00 . A A . 18 GLU C 1 1 2 768 1 1 18 GLU CA C 4.233 6.791 3.969 1.00 . A A . 18 GLU CA 1 1 2 769 1 1 18 GLU CB C 3.255 6.753 5.145 1.00 . A A . 18 GLU CB 1 1 2 770 1 1 18 GLU CD C 2.514 8.149 7.116 1.00 . A A . 18 GLU CD 1 1 2 771 1 1 18 GLU CG C 2.841 8.131 5.635 1.00 . A A . 18 GLU CG 1 1 2 772 1 1 18 GLU H H 4.024 4.865 3.115 1.00 . A A . 18 GLU H 1 1 2 773 1 1 18 GLU HA H 4.201 7.768 3.517 1.00 . A A . 18 GLU HA 1 1 2 774 1 1 18 GLU HB2 H 2.365 6.220 4.841 1.00 . A A . 18 GLU HB2 1 1 2 775 1 1 18 GLU HB3 H 3.716 6.226 5.966 1.00 . A A . 18 GLU HB3 1 1 2 776 1 1 18 GLU HG2 H 3.649 8.821 5.453 1.00 . A A . 18 GLU HG2 1 1 2 777 1 1 18 GLU HG3 H 1.967 8.447 5.087 1.00 . A A . 18 GLU HG3 1 1 2 778 1 1 18 GLU N N 3.847 5.815 2.956 1.00 . A A . 18 GLU N 1 1 2 779 1 1 18 GLU O O 5.940 6.658 5.655 1.00 . A A . 18 GLU O 1 1 2 780 1 1 18 GLU OE1 O 3.258 8.800 7.880 1.00 . A A . 18 GLU OE1 1 1 2 781 1 1 18 GLU OE2 O 1.516 7.511 7.511 1.00 . A A . 18 GLU OE2 1 1 2 782 1 1 19 GLY C C 8.897 6.378 2.877 1.00 . A A . 19 GLY C 1 1 2 783 1 1 19 GLY CA C 7.912 5.869 3.909 1.00 . A A . 19 GLY CA 1 1 2 784 1 1 19 GLY H H 6.248 6.057 2.614 1.00 . A A . 19 GLY H 1 1 2 785 1 1 19 GLY HA2 H 8.125 6.340 4.858 1.00 . A A . 19 GLY HA2 1 1 2 786 1 1 19 GLY HA3 H 8.036 4.801 4.013 1.00 . A A . 19 GLY HA3 1 1 2 787 1 1 19 GLY N N 6.535 6.148 3.546 1.00 . A A . 19 GLY N 1 1 2 788 1 1 19 GLY O O 10.098 6.118 2.973 1.00 . A A . 19 GLY O 1 1 2 789 1 1 20 LEU C C 10.142 8.751 1.369 1.00 . A A . 20 LEU C 1 1 2 790 1 1 20 LEU CA C 9.237 7.649 0.829 1.00 . A A . 20 LEU CA 1 1 2 791 1 1 20 LEU CB C 8.375 8.193 -0.310 1.00 . A A . 20 LEU CB 1 1 2 792 1 1 20 LEU CD1 C 5.985 7.831 0.353 1.00 . A A . 20 LEU CD1 1 1 2 793 1 1 20 LEU CD2 C 7.278 9.731 1.338 1.00 . A A . 20 LEU CD2 1 1 2 794 1 1 20 LEU CG C 7.066 8.870 0.102 1.00 . A A . 20 LEU CG 1 1 2 795 1 1 20 LEU H H 7.428 7.277 1.864 1.00 . A A . 20 LEU H 1 1 2 796 1 1 20 LEU HA H 9.854 6.846 0.452 1.00 . A A . 20 LEU HA 1 1 2 797 1 1 20 LEU HB2 H 8.964 8.916 -0.855 1.00 . A A . 20 LEU HB2 1 1 2 798 1 1 20 LEU HB3 H 8.130 7.366 -0.962 1.00 . A A . 20 LEU HB3 1 1 2 799 1 1 20 LEU HD11 H 5.452 8.079 1.257 1.00 . A A . 20 LEU HD11 1 1 2 800 1 1 20 LEU HD12 H 6.438 6.856 0.458 1.00 . A A . 20 LEU HD12 1 1 2 801 1 1 20 LEU HD13 H 5.296 7.819 -0.481 1.00 . A A . 20 LEU HD13 1 1 2 802 1 1 20 LEU HD21 H 6.492 10.468 1.400 1.00 . A A . 20 LEU HD21 1 1 2 803 1 1 20 LEU HD22 H 8.235 10.230 1.270 1.00 . A A . 20 LEU HD22 1 1 2 804 1 1 20 LEU HD23 H 7.259 9.108 2.219 1.00 . A A . 20 LEU HD23 1 1 2 805 1 1 20 LEU HG H 6.731 9.511 -0.701 1.00 . A A . 20 LEU HG 1 1 2 806 1 1 20 LEU N N 8.392 7.103 1.887 1.00 . A A . 20 LEU N 1 1 2 807 1 1 20 LEU O O 11.013 9.254 0.661 1.00 . A A . 20 LEU O 1 1 2 808 1 1 21 ARG C C 12.096 9.633 3.665 1.00 . A A . 21 ARG C 1 1 2 809 1 1 21 ARG CA C 10.723 10.165 3.263 1.00 . A A . 21 ARG CA 1 1 2 810 1 1 21 ARG CB C 9.996 10.714 4.492 1.00 . A A . 21 ARG CB 1 1 2 811 1 1 21 ARG CD C 10.037 10.205 6.954 1.00 . A A . 21 ARG CD 1 1 2 812 1 1 21 ARG CG C 9.737 9.667 5.563 1.00 . A A . 21 ARG CG 1 1 2 813 1 1 21 ARG CZ C 9.790 8.221 8.385 1.00 . A A . 21 ARG CZ 1 1 2 814 1 1 21 ARG H H 9.218 8.684 3.141 1.00 . A A . 21 ARG H 1 1 2 815 1 1 21 ARG HA H 10.856 10.963 2.549 1.00 . A A . 21 ARG HA 1 1 2 816 1 1 21 ARG HB2 H 10.595 11.502 4.928 1.00 . A A . 21 ARG HB2 1 1 2 817 1 1 21 ARG HB3 H 9.047 11.122 4.181 1.00 . A A . 21 ARG HB3 1 1 2 818 1 1 21 ARG HD2 H 10.774 10.990 6.869 1.00 . A A . 21 ARG HD2 1 1 2 819 1 1 21 ARG HD3 H 9.128 10.608 7.373 1.00 . A A . 21 ARG HD3 1 1 2 820 1 1 21 ARG HE H 11.509 9.178 8.048 1.00 . A A . 21 ARG HE 1 1 2 821 1 1 21 ARG HG2 H 8.699 9.369 5.521 1.00 . A A . 21 ARG HG2 1 1 2 822 1 1 21 ARG HG3 H 10.366 8.809 5.375 1.00 . A A . 21 ARG HG3 1 1 2 823 1 1 21 ARG HH11 H 8.082 8.866 7.523 1.00 . A A . 21 ARG HH11 1 1 2 824 1 1 21 ARG HH12 H 7.921 7.469 8.534 1.00 . A A . 21 ARG HH12 1 1 2 825 1 1 21 ARG HH21 H 11.311 7.338 9.383 1.00 . A A . 21 ARG HH21 1 1 2 826 1 1 21 ARG HH22 H 9.760 6.600 9.592 1.00 . A A . 21 ARG HH22 1 1 2 827 1 1 21 ARG N N 9.928 9.122 2.628 1.00 . A A . 21 ARG N 1 1 2 828 1 1 21 ARG NE N 10.551 9.168 7.844 1.00 . A A . 21 ARG NE 1 1 2 829 1 1 21 ARG NH1 N 8.490 8.182 8.127 1.00 . A A . 21 ARG NH1 1 1 2 830 1 1 21 ARG NH2 N 10.332 7.312 9.185 1.00 . A A . 21 ARG NH2 1 1 2 831 1 1 21 ARG O O 12.511 9.761 4.818 1.00 . A A . 21 ARG O 1 1 2 832 1 1 22 CYS C C 15.048 8.723 1.777 1.00 . A A . 22 CYS C 1 1 2 833 1 1 22 CYS CA C 14.121 8.477 2.963 1.00 . A A . 22 CYS CA 1 1 2 834 1 1 22 CYS CB C 14.022 6.977 3.245 1.00 . A A . 22 CYS CB 1 1 2 835 1 1 22 CYS H H 12.411 8.959 1.808 1.00 . A A . 22 CYS H 1 1 2 836 1 1 22 CYS HA H 14.526 8.973 3.831 1.00 . A A . 22 CYS HA 1 1 2 837 1 1 22 CYS HB2 H 14.968 6.630 3.640 1.00 . A A . 22 CYS HB2 1 1 2 838 1 1 22 CYS HB3 H 13.249 6.806 3.977 1.00 . A A . 22 CYS HB3 1 1 2 839 1 1 22 CYS N N 12.797 9.032 2.708 1.00 . A A . 22 CYS N 1 1 2 840 1 1 22 CYS O O 14.796 9.597 0.947 1.00 . A A . 22 CYS O 1 1 2 841 1 1 22 CYS SG S 13.636 5.967 1.779 1.00 . A A . 22 CYS SG 1 1 2 842 1 1 23 LYS C C 16.838 7.038 -0.466 1.00 . A A . 23 LYS C 1 1 2 843 1 1 23 LYS CA C 17.092 8.080 0.621 1.00 . A A . 23 LYS CA 1 1 2 844 1 1 23 LYS CB C 18.516 7.932 1.160 1.00 . A A . 23 LYS CB 1 1 2 845 1 1 23 LYS CD C 20.071 9.904 1.146 1.00 . A A . 23 LYS CD 1 1 2 846 1 1 23 LYS CE C 19.283 11.166 0.824 1.00 . A A . 23 LYS CE 1 1 2 847 1 1 23 LYS CG C 19.550 8.709 0.365 1.00 . A A . 23 LYS CG 1 1 2 848 1 1 23 LYS H H 16.272 7.270 2.396 1.00 . A A . 23 LYS H 1 1 2 849 1 1 23 LYS HA H 16.978 9.062 0.191 1.00 . A A . 23 LYS HA 1 1 2 850 1 1 23 LYS HB2 H 18.540 8.281 2.182 1.00 . A A . 23 LYS HB2 1 1 2 851 1 1 23 LYS HB3 H 18.789 6.886 1.139 1.00 . A A . 23 LYS HB3 1 1 2 852 1 1 23 LYS HD2 H 19.982 9.699 2.205 1.00 . A A . 23 LYS HD2 1 1 2 853 1 1 23 LYS HD3 H 21.108 10.065 0.895 1.00 . A A . 23 LYS HD3 1 1 2 854 1 1 23 LYS HE2 H 19.796 11.706 0.044 1.00 . A A . 23 LYS HE2 1 1 2 855 1 1 23 LYS HE3 H 18.299 10.882 0.479 1.00 . A A . 23 LYS HE3 1 1 2 856 1 1 23 LYS HG2 H 20.379 8.058 0.135 1.00 . A A . 23 LYS HG2 1 1 2 857 1 1 23 LYS HG3 H 19.099 9.060 -0.551 1.00 . A A . 23 LYS HG3 1 1 2 858 1 1 23 LYS HZ1 H 19.701 11.675 2.807 1.00 . A A . 23 LYS HZ1 1 1 2 859 1 1 23 LYS HZ2 H 18.145 12.104 2.304 1.00 . A A . 23 LYS HZ2 1 1 2 860 1 1 23 LYS HZ3 H 19.479 13.009 1.789 1.00 . A A . 23 LYS HZ3 1 1 2 861 1 1 23 LYS N N 16.126 7.949 1.703 1.00 . A A . 23 LYS N 1 1 2 862 1 1 23 LYS NZ N 19.141 12.051 2.015 1.00 . A A . 23 LYS NZ 1 1 2 863 1 1 23 LYS O O 16.962 7.323 -1.657 1.00 . A A . 23 LYS O 1 1 2 864 1 1 24 LEU C C 15.020 3.905 -0.513 1.00 . A A . 24 LEU C 1 1 2 865 1 1 24 LEU CA C 16.204 4.743 -0.981 1.00 . A A . 24 LEU CA 1 1 2 866 1 1 24 LEU CB C 17.441 3.858 -1.141 1.00 . A A . 24 LEU CB 1 1 2 867 1 1 24 LEU CD1 C 19.135 5.502 -1.980 1.00 . A A . 24 LEU CD1 1 1 2 868 1 1 24 LEU CD2 C 19.354 3.080 -2.562 1.00 . A A . 24 LEU CD2 1 1 2 869 1 1 24 LEU CG C 18.382 4.218 -2.290 1.00 . A A . 24 LEU CG 1 1 2 870 1 1 24 LEU H H 16.396 5.660 0.916 1.00 . A A . 24 LEU H 1 1 2 871 1 1 24 LEU HA H 15.962 5.185 -1.937 1.00 . A A . 24 LEU HA 1 1 2 872 1 1 24 LEU HB2 H 18.007 3.908 -0.223 1.00 . A A . 24 LEU HB2 1 1 2 873 1 1 24 LEU HB3 H 17.102 2.843 -1.296 1.00 . A A . 24 LEU HB3 1 1 2 874 1 1 24 LEU HD11 H 18.971 5.775 -0.949 1.00 . A A . 24 LEU HD11 1 1 2 875 1 1 24 LEU HD12 H 18.782 6.293 -2.624 1.00 . A A . 24 LEU HD12 1 1 2 876 1 1 24 LEU HD13 H 20.192 5.350 -2.148 1.00 . A A . 24 LEU HD13 1 1 2 877 1 1 24 LEU HD21 H 20.105 3.053 -1.786 1.00 . A A . 24 LEU HD21 1 1 2 878 1 1 24 LEU HD22 H 19.833 3.234 -3.518 1.00 . A A . 24 LEU HD22 1 1 2 879 1 1 24 LEU HD23 H 18.817 2.143 -2.576 1.00 . A A . 24 LEU HD23 1 1 2 880 1 1 24 LEU HG H 17.800 4.384 -3.188 1.00 . A A . 24 LEU HG 1 1 2 881 1 1 24 LEU N N 16.479 5.829 -0.046 1.00 . A A . 24 LEU N 1 1 2 882 1 1 24 LEU O O 13.868 4.227 -0.799 1.00 . A A . 24 LEU O 1 1 2 883 1 1 25 TRP C C 13.332 2.699 1.660 1.00 . A A . 25 TRP C 1 1 2 884 1 1 25 TRP CA C 14.271 1.948 0.724 1.00 . A A . 25 TRP CA 1 1 2 885 1 1 25 TRP CB C 14.897 0.759 1.456 1.00 . A A . 25 TRP CB 1 1 2 886 1 1 25 TRP CD1 C 13.113 0.029 3.144 1.00 . A A . 25 TRP CD1 1 1 2 887 1 1 25 TRP CD2 C 14.979 0.849 4.073 1.00 . A A . 25 TRP CD2 1 1 2 888 1 1 25 TRP CE2 C 14.086 0.486 5.102 1.00 . A A . 25 TRP CE2 1 1 2 889 1 1 25 TRP CE3 C 16.221 1.386 4.419 1.00 . A A . 25 TRP CE3 1 1 2 890 1 1 25 TRP CG C 14.337 0.545 2.829 1.00 . A A . 25 TRP CG 1 1 2 891 1 1 25 TRP CH2 C 15.621 1.177 6.757 1.00 . A A . 25 TRP CH2 1 1 2 892 1 1 25 TRP CZ2 C 14.398 0.649 6.448 1.00 . A A . 25 TRP CZ2 1 1 2 893 1 1 25 TRP CZ3 C 16.530 1.546 5.757 1.00 . A A . 25 TRP CZ3 1 1 2 894 1 1 25 TRP H H 16.253 2.628 0.409 1.00 . A A . 25 TRP H 1 1 2 895 1 1 25 TRP HA H 13.705 1.582 -0.120 1.00 . A A . 25 TRP HA 1 1 2 896 1 1 25 TRP HB2 H 14.726 -0.139 0.884 1.00 . A A . 25 TRP HB2 1 1 2 897 1 1 25 TRP HB3 H 15.960 0.923 1.551 1.00 . A A . 25 TRP HB3 1 1 2 898 1 1 25 TRP HD1 H 12.385 -0.298 2.416 1.00 . A A . 25 TRP HD1 1 1 2 899 1 1 25 TRP HE1 H 12.162 -0.342 4.980 1.00 . A A . 25 TRP HE1 1 1 2 900 1 1 25 TRP HE3 H 16.934 1.677 3.661 1.00 . A A . 25 TRP HE3 1 1 2 901 1 1 25 TRP HH2 H 15.904 1.321 7.789 1.00 . A A . 25 TRP HH2 1 1 2 902 1 1 25 TRP HZ2 H 13.710 0.368 7.232 1.00 . A A . 25 TRP HZ2 1 1 2 903 1 1 25 TRP HZ3 H 17.484 1.961 6.041 1.00 . A A . 25 TRP HZ3 1 1 2 904 1 1 25 TRP N N 15.313 2.830 0.212 1.00 . A A . 25 TRP N 1 1 2 905 1 1 25 TRP NE1 N 12.955 -0.010 4.508 1.00 . A A . 25 TRP NE1 1 1 2 906 1 1 25 TRP O O 13.698 3.034 2.786 1.00 . A A . 25 TRP O 1 1 2 907 1 1 26 CYS C C 11.206 3.266 3.448 1.00 . A A . 26 CYS C 1 1 2 908 1 1 26 CYS CA C 11.124 3.673 1.980 1.00 . A A . 26 CYS CA 1 1 2 909 1 1 26 CYS CB C 9.719 3.398 1.441 1.00 . A A . 26 CYS CB 1 1 2 910 1 1 26 CYS H H 11.884 2.669 0.279 1.00 . A A . 26 CYS H 1 1 2 911 1 1 26 CYS HA H 11.330 4.730 1.901 1.00 . A A . 26 CYS HA 1 1 2 912 1 1 26 CYS HB2 H 9.613 2.340 1.256 1.00 . A A . 26 CYS HB2 1 1 2 913 1 1 26 CYS HB3 H 8.991 3.703 2.182 1.00 . A A . 26 CYS HB3 1 1 2 914 1 1 26 CYS N N 12.117 2.961 1.185 1.00 . A A . 26 CYS N 1 1 2 915 1 1 26 CYS O O 11.217 2.078 3.773 1.00 . A A . 26 CYS O 1 1 2 916 1 1 26 CYS SG S 9.332 4.272 -0.111 1.00 . A A . 26 CYS SG 1 1 2 917 1 1 27 ARG C C 9.959 3.795 6.359 1.00 . A A . 27 ARG C 1 1 2 918 1 1 27 ARG CA C 11.348 4.004 5.763 1.00 . A A . 27 ARG CA 1 1 2 919 1 1 27 ARG CB C 12.047 5.166 6.468 1.00 . A A . 27 ARG CB 1 1 2 920 1 1 27 ARG CD C 14.194 6.453 6.710 1.00 . A A . 27 ARG CD 1 1 2 921 1 1 27 ARG CG C 13.566 5.107 6.383 1.00 . A A . 27 ARG CG 1 1 2 922 1 1 27 ARG CZ C 16.056 7.282 8.084 1.00 . A A . 27 ARG CZ 1 1 2 923 1 1 27 ARG H H 11.253 5.185 4.009 1.00 . A A . 27 ARG H 1 1 2 924 1 1 27 ARG HA H 11.928 3.104 5.907 1.00 . A A . 27 ARG HA 1 1 2 925 1 1 27 ARG HB2 H 11.721 6.095 6.022 1.00 . A A . 27 ARG HB2 1 1 2 926 1 1 27 ARG HB3 H 11.767 5.160 7.510 1.00 . A A . 27 ARG HB3 1 1 2 927 1 1 27 ARG HD2 H 14.719 6.809 5.836 1.00 . A A . 27 ARG HD2 1 1 2 928 1 1 27 ARG HD3 H 13.408 7.149 6.966 1.00 . A A . 27 ARG HD3 1 1 2 929 1 1 27 ARG HE H 15.070 5.577 8.407 1.00 . A A . 27 ARG HE 1 1 2 930 1 1 27 ARG HG2 H 13.927 4.373 7.089 1.00 . A A . 27 ARG HG2 1 1 2 931 1 1 27 ARG HG3 H 13.848 4.818 5.383 1.00 . A A . 27 ARG HG3 1 1 2 932 1 1 27 ARG HH11 H 15.547 8.473 6.534 1.00 . A A . 27 ARG HH11 1 1 2 933 1 1 27 ARG HH12 H 16.858 9.046 7.512 1.00 . A A . 27 ARG HH12 1 1 2 934 1 1 27 ARG HH21 H 16.796 6.322 9.702 1.00 . A A . 27 ARG HH21 1 1 2 935 1 1 27 ARG HH22 H 17.567 7.820 9.311 1.00 . A A . 27 ARG HH22 1 1 2 936 1 1 27 ARG N N 11.265 4.259 4.330 1.00 . A A . 27 ARG N 1 1 2 937 1 1 27 ARG NE N 15.133 6.362 7.824 1.00 . A A . 27 ARG NE 1 1 2 938 1 1 27 ARG NH1 N 16.162 8.354 7.312 1.00 . A A . 27 ARG NH1 1 1 2 939 1 1 27 ARG NH2 N 16.874 7.128 9.118 1.00 . A A . 27 ARG NH2 1 1 2 940 1 1 27 ARG O O 9.710 4.133 7.516 1.00 . A A . 27 ARG O 1 1 2 941 1 1 28 LYS C C 7.670 1.923 7.109 1.00 . A A . 28 LYS C 1 1 2 942 1 1 28 LYS CA C 7.693 2.977 6.008 1.00 . A A . 28 LYS CA 1 1 2 943 1 1 28 LYS CB C 6.827 2.522 4.831 1.00 . A A . 28 LYS CB 1 1 2 944 1 1 28 LYS CD C 4.994 3.558 6.204 1.00 . A A . 28 LYS CD 1 1 2 945 1 1 28 LYS CE C 3.480 3.660 6.290 1.00 . A A . 28 LYS CE 1 1 2 946 1 1 28 LYS CG C 5.448 3.159 4.809 1.00 . A A . 28 LYS CG 1 1 2 947 1 1 28 LYS H H 9.314 2.986 4.647 1.00 . A A . 28 LYS H 1 1 2 948 1 1 28 LYS HA H 7.294 3.901 6.401 1.00 . A A . 28 LYS HA 1 1 2 949 1 1 28 LYS HB2 H 7.330 2.772 3.910 1.00 . A A . 28 LYS HB2 1 1 2 950 1 1 28 LYS HB3 H 6.702 1.448 4.885 1.00 . A A . 28 LYS HB3 1 1 2 951 1 1 28 LYS HD2 H 5.336 2.816 6.910 1.00 . A A . 28 LYS HD2 1 1 2 952 1 1 28 LYS HD3 H 5.426 4.519 6.452 1.00 . A A . 28 LYS HD3 1 1 2 953 1 1 28 LYS HE2 H 3.116 4.184 5.420 1.00 . A A . 28 LYS HE2 1 1 2 954 1 1 28 LYS HE3 H 3.066 2.663 6.309 1.00 . A A . 28 LYS HE3 1 1 2 955 1 1 28 LYS HG2 H 5.480 4.041 4.186 1.00 . A A . 28 LYS HG2 1 1 2 956 1 1 28 LYS HG3 H 4.740 2.452 4.400 1.00 . A A . 28 LYS HG3 1 1 2 957 1 1 28 LYS HZ1 H 2.434 3.777 8.096 1.00 . A A . 28 LYS HZ1 1 1 2 958 1 1 28 LYS HZ2 H 2.506 5.240 7.249 1.00 . A A . 28 LYS HZ2 1 1 2 959 1 1 28 LYS HZ3 H 3.869 4.675 8.075 1.00 . A A . 28 LYS HZ3 1 1 2 960 1 1 28 LYS N N 9.056 3.234 5.561 1.00 . A A . 28 LYS N 1 1 2 961 1 1 28 LYS NZ N 3.042 4.390 7.512 1.00 . A A . 28 LYS NZ 1 1 2 962 1 1 28 LYS O O 8.553 1.889 7.969 1.00 . A A . 28 LYS O 1 1 2 963 1 1 29 ILE C C 7.759 -0.890 8.092 1.00 . A A . 29 ILE C 1 1 2 964 1 1 29 ILE CA C 6.525 0.004 8.071 1.00 . A A . 29 ILE CA 1 1 2 965 1 1 29 ILE CB C 5.280 -0.864 7.803 1.00 . A A . 29 ILE CB 1 1 2 966 1 1 29 ILE CD1 C 5.739 -1.048 5.307 1.00 . A A . 29 ILE CD1 1 1 2 967 1 1 29 ILE CG1 C 5.523 -1.787 6.609 1.00 . A A . 29 ILE CG1 1 1 2 968 1 1 29 ILE CG2 C 4.064 0.015 7.563 1.00 . A A . 29 ILE CG2 1 1 2 969 1 1 29 ILE H H 5.988 1.138 6.366 1.00 . A A . 29 ILE H 1 1 2 970 1 1 29 ILE HA H 6.413 0.469 9.039 1.00 . A A . 29 ILE HA 1 1 2 971 1 1 29 ILE HB H 5.094 -1.464 8.680 1.00 . A A . 29 ILE HB 1 1 2 972 1 1 29 ILE HD11 H 4.990 -0.278 5.203 1.00 . A A . 29 ILE HD11 1 1 2 973 1 1 29 ILE HD12 H 6.720 -0.599 5.306 1.00 . A A . 29 ILE HD12 1 1 2 974 1 1 29 ILE HD13 H 5.658 -1.741 4.481 1.00 . A A . 29 ILE HD13 1 1 2 975 1 1 29 ILE HG12 H 6.399 -2.387 6.798 1.00 . A A . 29 ILE HG12 1 1 2 976 1 1 29 ILE HG13 H 4.666 -2.436 6.485 1.00 . A A . 29 ILE HG13 1 1 2 977 1 1 29 ILE HG21 H 4.359 1.055 7.590 1.00 . A A . 29 ILE HG21 1 1 2 978 1 1 29 ILE HG22 H 3.641 -0.213 6.595 1.00 . A A . 29 ILE HG22 1 1 2 979 1 1 29 ILE HG23 H 3.327 -0.170 8.329 1.00 . A A . 29 ILE HG23 1 1 2 980 1 1 29 ILE N N 6.660 1.062 7.076 1.00 . A A . 29 ILE N 1 1 2 981 1 1 29 ILE O O 7.998 -1.613 9.060 1.00 . A A . 29 ILE O 1 1 2 982 1 1 30 ILE C C 9.424 -3.125 6.837 1.00 . A A . 30 ILE C 1 1 2 983 1 1 30 ILE CA C 9.754 -1.639 6.915 1.00 . A A . 30 ILE CA 1 1 2 984 1 1 30 ILE CB C 10.693 -1.397 8.112 1.00 . A A . 30 ILE CB 1 1 2 985 1 1 30 ILE CD1 C 11.043 0.927 7.133 1.00 . A A . 30 ILE CD1 1 1 2 986 1 1 30 ILE CG1 C 10.830 0.103 8.384 1.00 . A A . 30 ILE CG1 1 1 2 987 1 1 30 ILE CG2 C 12.056 -2.020 7.850 1.00 . A A . 30 ILE CG2 1 1 2 988 1 1 30 ILE H H 8.299 -0.241 6.278 1.00 . A A . 30 ILE H 1 1 2 989 1 1 30 ILE HA H 10.270 -1.348 6.012 1.00 . A A . 30 ILE HA 1 1 2 990 1 1 30 ILE HB H 10.266 -1.874 8.980 1.00 . A A . 30 ILE HB 1 1 2 991 1 1 30 ILE HD11 H 10.147 0.902 6.530 1.00 . A A . 30 ILE HD11 1 1 2 992 1 1 30 ILE HD12 H 11.265 1.948 7.407 1.00 . A A . 30 ILE HD12 1 1 2 993 1 1 30 ILE HD13 H 11.867 0.517 6.568 1.00 . A A . 30 ILE HD13 1 1 2 994 1 1 30 ILE HG12 H 9.936 0.460 8.867 1.00 . A A . 30 ILE HG12 1 1 2 995 1 1 30 ILE HG13 H 11.677 0.267 9.036 1.00 . A A . 30 ILE HG13 1 1 2 996 1 1 30 ILE HG21 H 12.168 -2.209 6.794 1.00 . A A . 30 ILE HG21 1 1 2 997 1 1 30 ILE HG22 H 12.830 -1.342 8.178 1.00 . A A . 30 ILE HG22 1 1 2 998 1 1 30 ILE HG23 H 12.138 -2.948 8.393 1.00 . A A . 30 ILE HG23 1 1 2 999 1 1 30 ILE N N 8.541 -0.837 7.019 1.00 . A A . 30 ILE N 1 1 2 1000 1 1 30 ILE O O 9.635 -3.871 7.795 1.00 . A A . 30 ILE O 1 1 3 1001 1 1 1 ARG C C 0.197 -5.513 1.671 1.00 . A A . 1 ARG C 1 1 3 1002 1 1 1 ARG CA C 0.702 -6.940 1.771 1.00 . A A . 1 ARG CA 1 1 3 1003 1 1 1 ARG H1 H -0.058 -8.007 0.108 1.00 . A A . 1 ARG H1 1 1 3 1004 1 1 1 ARG HA H 0.046 -7.497 2.423 1.00 . A A . 1 ARG HA 1 1 3 1005 1 1 1 ARG N N 0.753 -7.603 0.481 1.00 . A A . 1 ARG N 1 1 3 1006 1 1 1 ARG O O -0.400 -5.127 0.665 1.00 . A A . 1 ARG O 1 1 3 1007 1 1 2 TYR C C 0.928 -2.458 1.913 1.00 . A A . 2 TYR C 1 1 3 1008 1 1 2 TYR CA C -0.002 -3.339 2.742 1.00 . A A . 2 TYR CA 1 1 3 1009 1 1 2 TYR CB C -0.054 -2.827 4.183 1.00 . A A . 2 TYR CB 1 1 3 1010 1 1 2 TYR CD1 C -0.264 -4.735 5.822 1.00 . A A . 2 TYR CD1 1 1 3 1011 1 1 2 TYR CD2 C -2.230 -3.506 5.268 1.00 . A A . 2 TYR CD2 1 1 3 1012 1 1 2 TYR CE1 C -1.001 -5.543 6.669 1.00 . A A . 2 TYR CE1 1 1 3 1013 1 1 2 TYR CE2 C -2.975 -4.306 6.114 1.00 . A A . 2 TYR CE2 1 1 3 1014 1 1 2 TYR CG C -0.864 -3.706 5.110 1.00 . A A . 2 TYR CG 1 1 3 1015 1 1 2 TYR CZ C -2.356 -5.324 6.811 1.00 . A A . 2 TYR CZ 1 1 3 1016 1 1 2 TYR H H 0.917 -5.092 3.488 1.00 . A A . 2 TYR H 1 1 3 1017 1 1 2 TYR HA H -0.994 -3.293 2.318 1.00 . A A . 2 TYR HA 1 1 3 1018 1 1 2 TYR HB2 H 0.949 -2.770 4.575 1.00 . A A . 2 TYR HB2 1 1 3 1019 1 1 2 TYR HB3 H -0.496 -1.840 4.192 1.00 . A A . 2 TYR HB3 1 1 3 1020 1 1 2 TYR HD1 H 0.796 -4.905 5.708 1.00 . A A . 2 TYR HD1 1 1 3 1021 1 1 2 TYR HD2 H -2.712 -2.711 4.721 1.00 . A A . 2 TYR HD2 1 1 3 1022 1 1 2 TYR HE1 H -0.516 -6.338 7.214 1.00 . A A . 2 TYR HE1 1 1 3 1023 1 1 2 TYR HE2 H -4.034 -4.135 6.227 1.00 . A A . 2 TYR HE2 1 1 3 1024 1 1 2 TYR HH H -2.702 -7.000 7.686 1.00 . A A . 2 TYR HH 1 1 3 1025 1 1 2 TYR N N 0.437 -4.730 2.717 1.00 . A A . 2 TYR N 1 1 3 1026 1 1 2 TYR O O 1.990 -2.896 1.473 1.00 . A A . 2 TYR O 1 1 3 1027 1 1 2 TYR OH O -3.092 -6.124 7.654 1.00 . A A . 2 TYR OH 1 1 3 1028 1 1 3 CYS C C 1.668 -0.850 -0.441 1.00 . A A . 3 CYS C 1 1 3 1029 1 1 3 CYS CA C 1.312 -0.268 0.923 1.00 . A A . 3 CYS CA 1 1 3 1030 1 1 3 CYS CB C 2.589 0.103 1.680 1.00 . A A . 3 CYS CB 1 1 3 1031 1 1 3 CYS H H -0.340 -0.919 2.076 1.00 . A A . 3 CYS H 1 1 3 1032 1 1 3 CYS HA H 0.720 0.623 0.778 1.00 . A A . 3 CYS HA 1 1 3 1033 1 1 3 CYS HB2 H 2.940 -0.763 2.223 1.00 . A A . 3 CYS HB2 1 1 3 1034 1 1 3 CYS HB3 H 3.342 0.408 0.971 1.00 . A A . 3 CYS HB3 1 1 3 1035 1 1 3 CYS N N 0.519 -1.212 1.700 1.00 . A A . 3 CYS N 1 1 3 1036 1 1 3 CYS O O 1.159 -1.901 -0.829 1.00 . A A . 3 CYS O 1 1 3 1037 1 1 3 CYS SG S 2.374 1.457 2.882 1.00 . A A . 3 CYS SG 1 1 3 1038 1 1 4 GLN C C 4.480 -0.791 -2.538 1.00 . A A . 4 GLN C 1 1 3 1039 1 1 4 GLN CA C 2.968 -0.607 -2.484 1.00 . A A . 4 GLN CA 1 1 3 1040 1 1 4 GLN CB C 2.526 0.394 -3.552 1.00 . A A . 4 GLN CB 1 1 3 1041 1 1 4 GLN CD C 0.045 0.355 -3.079 1.00 . A A . 4 GLN CD 1 1 3 1042 1 1 4 GLN CG C 1.300 1.201 -3.159 1.00 . A A . 4 GLN CG 1 1 3 1043 1 1 4 GLN H H 2.917 0.670 -0.798 1.00 . A A . 4 GLN H 1 1 3 1044 1 1 4 GLN HA H 2.496 -1.559 -2.677 1.00 . A A . 4 GLN HA 1 1 3 1045 1 1 4 GLN HB2 H 3.337 1.082 -3.742 1.00 . A A . 4 GLN HB2 1 1 3 1046 1 1 4 GLN HB3 H 2.301 -0.145 -4.460 1.00 . A A . 4 GLN HB3 1 1 3 1047 1 1 4 GLN HE21 H 0.337 -0.297 -4.935 1.00 . A A . 4 GLN HE21 1 1 3 1048 1 1 4 GLN HE22 H -1.064 -0.914 -4.134 1.00 . A A . 4 GLN HE22 1 1 3 1049 1 1 4 GLN HG2 H 1.473 1.650 -2.192 1.00 . A A . 4 GLN HG2 1 1 3 1050 1 1 4 GLN HG3 H 1.145 1.978 -3.893 1.00 . A A . 4 GLN HG3 1 1 3 1051 1 1 4 GLN N N 2.545 -0.159 -1.164 1.00 . A A . 4 GLN N 1 1 3 1052 1 1 4 GLN NE2 N -0.260 -0.358 -4.159 1.00 . A A . 4 GLN NE2 1 1 3 1053 1 1 4 GLN O O 5.215 0.123 -2.913 1.00 . A A . 4 GLN O 1 1 3 1054 1 1 4 GLN OE1 O -0.644 0.338 -2.059 1.00 . A A . 4 GLN OE1 1 1 3 1055 1 1 5 LYS C C 7.189 -1.052 -1.797 1.00 . A A . 5 LYS C 1 1 3 1056 1 1 5 LYS CA C 6.368 -2.283 -2.163 1.00 . A A . 5 LYS CA 1 1 3 1057 1 1 5 LYS CB C 6.794 -2.804 -3.538 1.00 . A A . 5 LYS CB 1 1 3 1058 1 1 5 LYS CD C 5.381 -4.483 -4.758 1.00 . A A . 5 LYS CD 1 1 3 1059 1 1 5 LYS CE C 5.882 -4.343 -6.186 1.00 . A A . 5 LYS CE 1 1 3 1060 1 1 5 LYS CG C 6.500 -4.278 -3.751 1.00 . A A . 5 LYS CG 1 1 3 1061 1 1 5 LYS H H 4.306 -2.669 -1.869 1.00 . A A . 5 LYS H 1 1 3 1062 1 1 5 LYS HA H 6.544 -3.053 -1.428 1.00 . A A . 5 LYS HA 1 1 3 1063 1 1 5 LYS HB2 H 6.275 -2.240 -4.300 1.00 . A A . 5 LYS HB2 1 1 3 1064 1 1 5 LYS HB3 H 7.858 -2.651 -3.654 1.00 . A A . 5 LYS HB3 1 1 3 1065 1 1 5 LYS HD2 H 4.968 -5.475 -4.629 1.00 . A A . 5 LYS HD2 1 1 3 1066 1 1 5 LYS HD3 H 4.609 -3.746 -4.581 1.00 . A A . 5 LYS HD3 1 1 3 1067 1 1 5 LYS HE2 H 6.680 -3.617 -6.203 1.00 . A A . 5 LYS HE2 1 1 3 1068 1 1 5 LYS HE3 H 6.257 -5.299 -6.517 1.00 . A A . 5 LYS HE3 1 1 3 1069 1 1 5 LYS HG2 H 7.391 -4.765 -4.115 1.00 . A A . 5 LYS HG2 1 1 3 1070 1 1 5 LYS HG3 H 6.208 -4.716 -2.807 1.00 . A A . 5 LYS HG3 1 1 3 1071 1 1 5 LYS HZ1 H 4.777 -4.512 -7.949 1.00 . A A . 5 LYS HZ1 1 1 3 1072 1 1 5 LYS HZ2 H 4.976 -2.920 -7.419 1.00 . A A . 5 LYS HZ2 1 1 3 1073 1 1 5 LYS HZ3 H 3.881 -3.942 -6.634 1.00 . A A . 5 LYS HZ3 1 1 3 1074 1 1 5 LYS N N 4.942 -1.979 -2.159 1.00 . A A . 5 LYS N 1 1 3 1075 1 1 5 LYS NZ N 4.803 -3.898 -7.112 1.00 . A A . 5 LYS NZ 1 1 3 1076 1 1 5 LYS O O 8.165 -0.722 -2.471 1.00 . A A . 5 LYS O 1 1 3 1077 1 1 6 TRP C C 8.999 0.648 -0.405 1.00 . A A . 6 TRP C 1 1 3 1078 1 1 6 TRP CA C 7.491 0.815 -0.267 1.00 . A A . 6 TRP CA 1 1 3 1079 1 1 6 TRP CB C 7.129 1.118 1.188 1.00 . A A . 6 TRP CB 1 1 3 1080 1 1 6 TRP CD1 C 8.752 0.812 3.146 1.00 . A A . 6 TRP CD1 1 1 3 1081 1 1 6 TRP CD2 C 7.973 -1.104 2.289 1.00 . A A . 6 TRP CD2 1 1 3 1082 1 1 6 TRP CE2 C 8.848 -1.410 3.349 1.00 . A A . 6 TRP CE2 1 1 3 1083 1 1 6 TRP CE3 C 7.359 -2.153 1.598 1.00 . A A . 6 TRP CE3 1 1 3 1084 1 1 6 TRP CG C 7.926 0.322 2.175 1.00 . A A . 6 TRP CG 1 1 3 1085 1 1 6 TRP CH2 C 8.507 -3.728 3.040 1.00 . A A . 6 TRP CH2 1 1 3 1086 1 1 6 TRP CZ2 C 9.122 -2.720 3.732 1.00 . A A . 6 TRP CZ2 1 1 3 1087 1 1 6 TRP CZ3 C 7.633 -3.451 1.979 1.00 . A A . 6 TRP CZ3 1 1 3 1088 1 1 6 TRP H H 6.004 -0.692 -0.228 1.00 . A A . 6 TRP H 1 1 3 1089 1 1 6 TRP HA H 7.175 1.642 -0.887 1.00 . A A . 6 TRP HA 1 1 3 1090 1 1 6 TRP HB2 H 7.304 2.165 1.384 1.00 . A A . 6 TRP HB2 1 1 3 1091 1 1 6 TRP HB3 H 6.083 0.898 1.345 1.00 . A A . 6 TRP HB3 1 1 3 1092 1 1 6 TRP HD1 H 8.934 1.863 3.318 1.00 . A A . 6 TRP HD1 1 1 3 1093 1 1 6 TRP HE1 H 9.938 -0.130 4.602 1.00 . A A . 6 TRP HE1 1 1 3 1094 1 1 6 TRP HE3 H 6.681 -1.961 0.780 1.00 . A A . 6 TRP HE3 1 1 3 1095 1 1 6 TRP HH2 H 8.693 -4.757 3.303 1.00 . A A . 6 TRP HH2 1 1 3 1096 1 1 6 TRP HZ2 H 9.794 -2.948 4.546 1.00 . A A . 6 TRP HZ2 1 1 3 1097 1 1 6 TRP HZ3 H 7.167 -4.276 1.457 1.00 . A A . 6 TRP HZ3 1 1 3 1098 1 1 6 TRP N N 6.790 -0.378 -0.724 1.00 . A A . 6 TRP N 1 1 3 1099 1 1 6 TRP NE1 N 9.311 -0.224 3.855 1.00 . A A . 6 TRP NE1 1 1 3 1100 1 1 6 TRP O O 9.757 1.594 -0.640 1.00 . A A . 6 TRP O 1 1 3 1101 1 1 7 NLE C C 11.721 -0.256 -1.373 1.00 . A A . 7 NLE C 1 1 3 1102 1 1 7 NLE CA C 10.930 -0.916 -0.190 1.00 . A A . 7 NLE CA 1 1 3 1103 1 1 7 NLE CB C 11.062 -2.462 -0.111 1.00 . A A . 7 NLE CB 1 1 3 1104 1 1 7 NLE CD C 12.547 -4.130 1.168 1.00 . A A . 7 NLE CD 1 1 3 1105 1 1 7 NLE CE C 13.174 -5.312 0.559 1.00 . A A . 7 NLE CE 1 1 3 1106 1 1 7 NLE CG C 12.500 -2.969 0.163 1.00 . A A . 7 NLE CG 1 1 3 1107 1 1 7 NLE H H 8.750 -1.299 -0.064 1.00 . A A . 7 NLE H 1 1 3 1108 1 1 7 NLE HA H 11.348 -0.532 0.766 1.00 . A A . 7 NLE HA 1 1 3 1109 1 1 7 NLE HB2 H 10.400 -2.848 0.694 1.00 . A A . 7 NLE HB2 1 1 3 1110 1 1 7 NLE HB3 H 10.683 -2.924 -1.045 1.00 . A A . 7 NLE HB3 1 1 3 1111 1 1 7 NLE HD2 H 13.117 -3.846 2.076 1.00 . A A . 7 NLE HD2 1 1 3 1112 1 1 7 NLE HD3 H 11.530 -4.391 1.520 1.00 . A A . 7 NLE HD3 1 1 3 1113 1 1 7 NLE HE1 H 14.141 -5.106 0.283 1.00 . A A . 7 NLE HE1 1 1 3 1114 1 1 7 NLE HE2 H 13.186 -6.083 1.237 1.00 . A A . 7 NLE HE2 1 1 3 1115 1 1 7 NLE HE3 H 12.644 -5.616 -0.269 1.00 . A A . 7 NLE HE3 1 1 3 1116 1 1 7 NLE HG2 H 12.974 -3.296 -0.784 1.00 . A A . 7 NLE HG2 1 1 3 1117 1 1 7 NLE HG3 H 13.143 -2.148 0.538 1.00 . A A . 7 NLE HG3 1 1 3 1118 1 1 7 NLE N N 9.473 -0.601 -0.255 1.00 . A A . 7 NLE N 1 1 3 1119 1 1 7 NLE O O 12.949 -0.186 -1.323 1.00 . A A . 7 NLE O 1 1 3 1120 1 1 8 TRP C C 12.665 1.902 -3.072 1.00 . A A . 8 TRP C 1 1 3 1121 1 1 8 TRP CA C 11.645 0.866 -3.531 1.00 . A A . 8 TRP CA 1 1 3 1122 1 1 8 TRP CB C 10.593 1.529 -4.422 1.00 . A A . 8 TRP CB 1 1 3 1123 1 1 8 TRP CD1 C 9.641 -0.750 -5.112 1.00 . A A . 8 TRP CD1 1 1 3 1124 1 1 8 TRP CD2 C 8.141 0.912 -5.110 1.00 . A A . 8 TRP CD2 1 1 3 1125 1 1 8 TRP CE2 C 7.494 -0.274 -5.506 1.00 . A A . 8 TRP CE2 1 1 3 1126 1 1 8 TRP CE3 C 7.396 2.092 -5.035 1.00 . A A . 8 TRP CE3 1 1 3 1127 1 1 8 TRP CG C 9.512 0.587 -4.863 1.00 . A A . 8 TRP CG 1 1 3 1128 1 1 8 TRP CH2 C 5.434 0.855 -5.742 1.00 . A A . 8 TRP CH2 1 1 3 1129 1 1 8 TRP CZ2 C 6.140 -0.315 -5.824 1.00 . A A . 8 TRP CZ2 1 1 3 1130 1 1 8 TRP CZ3 C 6.051 2.050 -5.353 1.00 . A A . 8 TRP CZ3 1 1 3 1131 1 1 8 TRP H H 10.033 0.133 -2.372 1.00 . A A . 8 TRP H 1 1 3 1132 1 1 8 TRP HA H 12.157 0.103 -4.101 1.00 . A A . 8 TRP HA 1 1 3 1133 1 1 8 TRP HB2 H 10.127 2.336 -3.877 1.00 . A A . 8 TRP HB2 1 1 3 1134 1 1 8 TRP HB3 H 11.077 1.921 -5.304 1.00 . A A . 8 TRP HB3 1 1 3 1135 1 1 8 TRP HD1 H 10.565 -1.299 -5.017 1.00 . A A . 8 TRP HD1 1 1 3 1136 1 1 8 TRP HE1 H 8.266 -2.213 -5.732 1.00 . A A . 8 TRP HE1 1 1 3 1137 1 1 8 TRP HE3 H 7.851 3.025 -4.738 1.00 . A A . 8 TRP HE3 1 1 3 1138 1 1 8 TRP HH2 H 4.382 0.870 -5.981 1.00 . A A . 8 TRP HH2 1 1 3 1139 1 1 8 TRP HZ2 H 5.651 -1.229 -6.126 1.00 . A A . 8 TRP HZ2 1 1 3 1140 1 1 8 TRP HZ3 H 5.458 2.952 -5.300 1.00 . A A . 8 TRP HZ3 1 1 3 1141 1 1 8 TRP N N 11.009 0.219 -2.389 1.00 . A A . 8 TRP N 1 1 3 1142 1 1 8 TRP NE1 N 8.433 -1.275 -5.499 1.00 . A A . 8 TRP NE1 1 1 3 1143 1 1 8 TRP O O 12.687 2.290 -1.902 1.00 . A A . 8 TRP O 1 1 3 1144 1 1 9 THR C C 13.958 4.751 -3.733 1.00 . A A . 9 THR C 1 1 3 1145 1 1 9 THR CA C 14.530 3.341 -3.684 1.00 . A A . 9 THR CA 1 1 3 1146 1 1 9 THR CB C 15.720 3.246 -4.661 1.00 . A A . 9 THR CB 1 1 3 1147 1 1 9 THR CG2 C 16.662 2.121 -4.260 1.00 . A A . 9 THR CG2 1 1 3 1148 1 1 9 THR H H 13.442 2.000 -4.911 1.00 . A A . 9 THR H 1 1 3 1149 1 1 9 THR HA H 14.895 3.142 -2.689 1.00 . A A . 9 THR HA 1 1 3 1150 1 1 9 THR HB H 16.264 4.180 -4.632 1.00 . A A . 9 THR HB 1 1 3 1151 1 1 9 THR HG1 H 15.807 3.490 -6.615 1.00 . A A . 9 THR HG1 1 1 3 1152 1 1 9 THR HG21 H 17.684 2.447 -4.384 1.00 . A A . 9 THR HG21 1 1 3 1153 1 1 9 THR HG22 H 16.480 1.259 -4.885 1.00 . A A . 9 THR HG22 1 1 3 1154 1 1 9 THR HG23 H 16.491 1.860 -3.227 1.00 . A A . 9 THR HG23 1 1 3 1155 1 1 9 THR N N 13.509 2.348 -3.997 1.00 . A A . 9 THR N 1 1 3 1156 1 1 9 THR O O 14.330 5.555 -4.589 1.00 . A A . 9 THR O 1 1 3 1157 1 1 9 THR OG1 O 15.245 3.025 -5.993 1.00 . A A . 9 THR OG1 1 1 3 1158 1 1 10 CYS C C 13.446 7.464 -3.037 1.00 . A A . 10 CYS C 1 1 3 1159 1 1 10 CYS CA C 12.432 6.366 -2.742 1.00 . A A . 10 CYS CA 1 1 3 1160 1 1 10 CYS CB C 11.807 6.590 -1.362 1.00 . A A . 10 CYS CB 1 1 3 1161 1 1 10 CYS H H 12.799 4.367 -2.150 1.00 . A A . 10 CYS H 1 1 3 1162 1 1 10 CYS HA H 11.653 6.402 -3.488 1.00 . A A . 10 CYS HA 1 1 3 1163 1 1 10 CYS HB2 H 11.100 7.405 -1.424 1.00 . A A . 10 CYS HB2 1 1 3 1164 1 1 10 CYS HB3 H 11.287 5.693 -1.061 1.00 . A A . 10 CYS HB3 1 1 3 1165 1 1 10 CYS N N 13.054 5.050 -2.806 1.00 . A A . 10 CYS N 1 1 3 1166 1 1 10 CYS O O 14.619 7.354 -2.674 1.00 . A A . 10 CYS O 1 1 3 1167 1 1 10 CYS SG S 13.012 7.001 -0.060 1.00 . A A . 10 CYS SG 1 1 3 1168 1 1 11 ASP C C 13.238 10.967 -3.605 1.00 . A A . 11 ASP C 1 1 3 1169 1 1 11 ASP CA C 13.861 9.644 -4.039 1.00 . A A . 11 ASP CA 1 1 3 1170 1 1 11 ASP CB C 14.132 9.664 -5.544 1.00 . A A . 11 ASP CB 1 1 3 1171 1 1 11 ASP CG C 15.062 8.549 -5.980 1.00 . A A . 11 ASP CG 1 1 3 1172 1 1 11 ASP H H 12.048 8.553 -3.959 1.00 . A A . 11 ASP H 1 1 3 1173 1 1 11 ASP HA H 14.794 9.510 -3.516 1.00 . A A . 11 ASP HA 1 1 3 1174 1 1 11 ASP HB2 H 13.195 9.554 -6.074 1.00 . A A . 11 ASP HB2 1 1 3 1175 1 1 11 ASP HB3 H 14.580 10.609 -5.810 1.00 . A A . 11 ASP HB3 1 1 3 1176 1 1 11 ASP N N 12.991 8.523 -3.696 1.00 . A A . 11 ASP N 1 1 3 1177 1 1 11 ASP O O 13.635 11.547 -2.593 1.00 . A A . 11 ASP O 1 1 3 1178 1 1 11 ASP OD1 O 16.293 8.757 -5.949 1.00 . A A . 11 ASP OD1 1 1 3 1179 1 1 11 ASP OD2 O 14.560 7.468 -6.351 1.00 . A A . 11 ASP OD2 1 1 3 1180 1 1 12 SER C C 10.184 12.444 -3.539 1.00 . A A . 12 SER C 1 1 3 1181 1 1 12 SER CA C 11.590 12.695 -4.071 1.00 . A A . 12 SER CA 1 1 3 1182 1 1 12 SER CB C 11.524 13.577 -5.320 1.00 . A A . 12 SER CB 1 1 3 1183 1 1 12 SER H H 11.992 10.929 -5.168 1.00 . A A . 12 SER H 1 1 3 1184 1 1 12 SER HA H 12.164 13.205 -3.312 1.00 . A A . 12 SER HA 1 1 3 1185 1 1 12 SER HB2 H 10.500 13.665 -5.644 1.00 . A A . 12 SER HB2 1 1 3 1186 1 1 12 SER HB3 H 11.913 14.559 -5.085 1.00 . A A . 12 SER HB3 1 1 3 1187 1 1 12 SER HG H 11.842 13.175 -7.209 1.00 . A A . 12 SER HG 1 1 3 1188 1 1 12 SER N N 12.265 11.439 -4.375 1.00 . A A . 12 SER N 1 1 3 1189 1 1 12 SER O O 9.595 13.300 -2.875 1.00 . A A . 12 SER O 1 1 3 1190 1 1 12 SER OG O 12.291 13.025 -6.377 1.00 . A A . 12 SER OG 1 1 3 1191 1 1 13 LYS C C 7.955 9.483 -3.836 1.00 . A A . 13 LYS C 1 1 3 1192 1 1 13 LYS CA C 8.311 10.896 -3.385 1.00 . A A . 13 LYS CA 1 1 3 1193 1 1 13 LYS CB C 7.279 11.889 -3.922 1.00 . A A . 13 LYS CB 1 1 3 1194 1 1 13 LYS CD C 5.295 13.279 -3.254 1.00 . A A . 13 LYS CD 1 1 3 1195 1 1 13 LYS CE C 4.892 14.504 -2.449 1.00 . A A . 13 LYS CE 1 1 3 1196 1 1 13 LYS CG C 6.671 12.779 -2.851 1.00 . A A . 13 LYS CG 1 1 3 1197 1 1 13 LYS H H 10.166 10.626 -4.367 1.00 . A A . 13 LYS H 1 1 3 1198 1 1 13 LYS HA H 8.302 10.930 -2.307 1.00 . A A . 13 LYS HA 1 1 3 1199 1 1 13 LYS HB2 H 7.754 12.523 -4.657 1.00 . A A . 13 LYS HB2 1 1 3 1200 1 1 13 LYS HB3 H 6.480 11.338 -4.399 1.00 . A A . 13 LYS HB3 1 1 3 1201 1 1 13 LYS HD2 H 5.309 13.540 -4.301 1.00 . A A . 13 LYS HD2 1 1 3 1202 1 1 13 LYS HD3 H 4.572 12.493 -3.085 1.00 . A A . 13 LYS HD3 1 1 3 1203 1 1 13 LYS HE2 H 5.717 15.198 -2.435 1.00 . A A . 13 LYS HE2 1 1 3 1204 1 1 13 LYS HE3 H 4.041 14.969 -2.928 1.00 . A A . 13 LYS HE3 1 1 3 1205 1 1 13 LYS HG2 H 6.582 12.212 -1.935 1.00 . A A . 13 LYS HG2 1 1 3 1206 1 1 13 LYS HG3 H 7.321 13.627 -2.688 1.00 . A A . 13 LYS HG3 1 1 3 1207 1 1 13 LYS HZ1 H 4.841 13.186 -0.831 1.00 . A A . 13 LYS HZ1 1 1 3 1208 1 1 13 LYS HZ2 H 3.496 14.208 -0.923 1.00 . A A . 13 LYS HZ2 1 1 3 1209 1 1 13 LYS HZ3 H 4.983 14.813 -0.384 1.00 . A A . 13 LYS HZ3 1 1 3 1210 1 1 13 LYS N N 9.648 11.265 -3.834 1.00 . A A . 13 LYS N 1 1 3 1211 1 1 13 LYS NZ N 4.527 14.154 -1.049 1.00 . A A . 13 LYS NZ 1 1 3 1212 1 1 13 LYS O O 7.330 8.725 -3.095 1.00 . A A . 13 LYS O 1 1 3 1213 1 1 14 ARG C C 6.601 7.467 -5.462 1.00 . A A . 14 ARG C 1 1 3 1214 1 1 14 ARG CA C 8.079 7.816 -5.604 1.00 . A A . 14 ARG CA 1 1 3 1215 1 1 14 ARG CB C 8.934 6.760 -4.902 1.00 . A A . 14 ARG CB 1 1 3 1216 1 1 14 ARG CD C 10.071 4.580 -5.422 1.00 . A A . 14 ARG CD 1 1 3 1217 1 1 14 ARG CG C 9.890 6.031 -5.833 1.00 . A A . 14 ARG CG 1 1 3 1218 1 1 14 ARG CZ C 10.836 3.418 -7.450 1.00 . A A . 14 ARG CZ 1 1 3 1219 1 1 14 ARG H H 8.850 9.787 -5.599 1.00 . A A . 14 ARG H 1 1 3 1220 1 1 14 ARG HA H 8.333 7.832 -6.654 1.00 . A A . 14 ARG HA 1 1 3 1221 1 1 14 ARG HB2 H 9.515 7.240 -4.129 1.00 . A A . 14 ARG HB2 1 1 3 1222 1 1 14 ARG HB3 H 8.282 6.029 -4.449 1.00 . A A . 14 ARG HB3 1 1 3 1223 1 1 14 ARG HD2 H 11.067 4.453 -5.023 1.00 . A A . 14 ARG HD2 1 1 3 1224 1 1 14 ARG HD3 H 9.344 4.343 -4.659 1.00 . A A . 14 ARG HD3 1 1 3 1225 1 1 14 ARG HE H 9.027 3.215 -6.634 1.00 . A A . 14 ARG HE 1 1 3 1226 1 1 14 ARG HG2 H 9.495 6.064 -6.838 1.00 . A A . 14 ARG HG2 1 1 3 1227 1 1 14 ARG HG3 H 10.849 6.527 -5.807 1.00 . A A . 14 ARG HG3 1 1 3 1228 1 1 14 ARG HH11 H 12.200 4.647 -6.608 1.00 . A A . 14 ARG HH11 1 1 3 1229 1 1 14 ARG HH12 H 12.727 3.822 -8.038 1.00 . A A . 14 ARG HH12 1 1 3 1230 1 1 14 ARG HH21 H 9.707 2.124 -8.516 1.00 . A A . 14 ARG HH21 1 1 3 1231 1 1 14 ARG HH22 H 11.308 2.386 -9.124 1.00 . A A . 14 ARG HH22 1 1 3 1232 1 1 14 ARG N N 8.355 9.138 -5.055 1.00 . A A . 14 ARG N 1 1 3 1233 1 1 14 ARG NE N 9.892 3.666 -6.547 1.00 . A A . 14 ARG NE 1 1 3 1234 1 1 14 ARG NH1 N 12.018 4.011 -7.358 1.00 . A A . 14 ARG NH1 1 1 3 1235 1 1 14 ARG NH2 N 10.597 2.574 -8.445 1.00 . A A . 14 ARG NH2 1 1 3 1236 1 1 14 ARG O O 5.782 8.318 -5.115 1.00 . A A . 14 ARG O 1 1 3 1237 1 1 15 ALA C C 4.633 5.067 -4.289 1.00 . A A . 15 ALA C 1 1 3 1238 1 1 15 ALA CA C 4.888 5.745 -5.631 1.00 . A A . 15 ALA CA 1 1 3 1239 1 1 15 ALA CB C 4.567 4.797 -6.775 1.00 . A A . 15 ALA CB 1 1 3 1240 1 1 15 ALA H H 6.965 5.577 -6.002 1.00 . A A . 15 ALA H 1 1 3 1241 1 1 15 ALA HA H 4.240 6.607 -5.718 1.00 . A A . 15 ALA HA 1 1 3 1242 1 1 15 ALA HB1 H 4.403 5.367 -7.679 1.00 . A A . 15 ALA HB1 1 1 3 1243 1 1 15 ALA HB2 H 5.392 4.116 -6.921 1.00 . A A . 15 ALA HB2 1 1 3 1244 1 1 15 ALA HB3 H 3.676 4.235 -6.537 1.00 . A A . 15 ALA HB3 1 1 3 1245 1 1 15 ALA N N 6.267 6.208 -5.731 1.00 . A A . 15 ALA N 1 1 3 1246 1 1 15 ALA O O 3.629 4.376 -4.113 1.00 . A A . 15 ALA O 1 1 3 1247 1 1 16 CYS C C 4.168 5.181 -1.315 1.00 . A A . 16 CYS C 1 1 3 1248 1 1 16 CYS CA C 5.423 4.674 -2.022 1.00 . A A . 16 CYS CA 1 1 3 1249 1 1 16 CYS CB C 6.660 4.993 -1.179 1.00 . A A . 16 CYS CB 1 1 3 1250 1 1 16 CYS H H 6.326 5.830 -3.546 1.00 . A A . 16 CYS H 1 1 3 1251 1 1 16 CYS HA H 5.344 3.605 -2.141 1.00 . A A . 16 CYS HA 1 1 3 1252 1 1 16 CYS HB2 H 6.905 6.038 -1.294 1.00 . A A . 16 CYS HB2 1 1 3 1253 1 1 16 CYS HB3 H 6.437 4.793 -0.140 1.00 . A A . 16 CYS HB3 1 1 3 1254 1 1 16 CYS N N 5.547 5.269 -3.347 1.00 . A A . 16 CYS N 1 1 3 1255 1 1 16 CYS O O 3.321 5.837 -1.922 1.00 . A A . 16 CYS O 1 1 3 1256 1 1 16 CYS SG S 8.135 4.024 -1.629 1.00 . A A . 16 CYS SG 1 1 3 1257 1 1 17 CYS C C 3.250 6.510 1.619 1.00 . A A . 17 CYS C 1 1 3 1258 1 1 17 CYS CA C 2.905 5.295 0.764 1.00 . A A . 17 CYS CA 1 1 3 1259 1 1 17 CYS CB C 2.424 4.149 1.656 1.00 . A A . 17 CYS CB 1 1 3 1260 1 1 17 CYS H H 4.764 4.345 0.403 1.00 . A A . 17 CYS H 1 1 3 1261 1 1 17 CYS HA H 2.113 5.563 0.080 1.00 . A A . 17 CYS HA 1 1 3 1262 1 1 17 CYS HB2 H 2.067 4.556 2.590 1.00 . A A . 17 CYS HB2 1 1 3 1263 1 1 17 CYS HB3 H 1.616 3.630 1.162 1.00 . A A . 17 CYS HB3 1 1 3 1264 1 1 17 CYS N N 4.054 4.872 -0.028 1.00 . A A . 17 CYS N 1 1 3 1265 1 1 17 CYS O O 2.917 7.642 1.269 1.00 . A A . 17 CYS O 1 1 3 1266 1 1 17 CYS SG S 3.713 2.922 2.049 1.00 . A A . 17 CYS SG 1 1 3 1267 1 1 18 GLU C C 5.735 7.133 4.156 1.00 . A A . 18 GLU C 1 1 3 1268 1 1 18 GLU CA C 4.310 7.341 3.646 1.00 . A A . 18 GLU CA 1 1 3 1269 1 1 18 GLU CB C 3.341 7.418 4.827 1.00 . A A . 18 GLU CB 1 1 3 1270 1 1 18 GLU CD C 2.026 9.476 5.479 1.00 . A A . 18 GLU CD 1 1 3 1271 1 1 18 GLU CG C 3.361 8.759 5.543 1.00 . A A . 18 GLU CG 1 1 3 1272 1 1 18 GLU H H 4.159 5.343 2.965 1.00 . A A . 18 GLU H 1 1 3 1273 1 1 18 GLU HA H 4.269 8.269 3.096 1.00 . A A . 18 GLU HA 1 1 3 1274 1 1 18 GLU HB2 H 2.337 7.243 4.466 1.00 . A A . 18 GLU HB2 1 1 3 1275 1 1 18 GLU HB3 H 3.598 6.651 5.541 1.00 . A A . 18 GLU HB3 1 1 3 1276 1 1 18 GLU HG2 H 3.615 8.597 6.580 1.00 . A A . 18 GLU HG2 1 1 3 1277 1 1 18 GLU HG3 H 4.111 9.387 5.084 1.00 . A A . 18 GLU HG3 1 1 3 1278 1 1 18 GLU N N 3.921 6.267 2.740 1.00 . A A . 18 GLU N 1 1 3 1279 1 1 18 GLU O O 6.120 7.676 5.189 1.00 . A A . 18 GLU O 1 1 3 1280 1 1 18 GLU OE1 O 1.266 9.401 6.467 1.00 . A A . 18 GLU OE1 1 1 3 1281 1 1 18 GLU OE2 O 1.740 10.109 4.441 1.00 . A A . 18 GLU OE2 1 1 3 1282 1 1 19 GLY C C 8.884 6.555 2.782 1.00 . A A . 19 GLY C 1 1 3 1283 1 1 19 GLY CA C 7.882 6.078 3.813 1.00 . A A . 19 GLY CA 1 1 3 1284 1 1 19 GLY H H 6.147 5.937 2.606 1.00 . A A . 19 GLY H 1 1 3 1285 1 1 19 GLY HA2 H 8.080 6.575 4.750 1.00 . A A . 19 GLY HA2 1 1 3 1286 1 1 19 GLY HA3 H 8.005 5.013 3.950 1.00 . A A . 19 GLY HA3 1 1 3 1287 1 1 19 GLY N N 6.510 6.343 3.420 1.00 . A A . 19 GLY N 1 1 3 1288 1 1 19 GLY O O 10.083 6.305 2.905 1.00 . A A . 19 GLY O 1 1 3 1289 1 1 20 LEU C C 10.165 8.865 1.224 1.00 . A A . 20 LEU C 1 1 3 1290 1 1 20 LEU CA C 9.254 7.761 0.699 1.00 . A A . 20 LEU CA 1 1 3 1291 1 1 20 LEU CB C 8.406 8.293 -0.461 1.00 . A A . 20 LEU CB 1 1 3 1292 1 1 20 LEU CD1 C 6.005 7.977 0.184 1.00 . A A . 20 LEU CD1 1 1 3 1293 1 1 20 LEU CD2 C 7.317 9.874 1.150 1.00 . A A . 20 LEU CD2 1 1 3 1294 1 1 20 LEU CG C 7.105 8.996 -0.073 1.00 . A A . 20 LEU CG 1 1 3 1295 1 1 20 LEU H H 7.428 7.416 1.714 1.00 . A A . 20 LEU H 1 1 3 1296 1 1 20 LEU HA H 9.864 6.944 0.342 1.00 . A A . 20 LEU HA 1 1 3 1297 1 1 20 LEU HB2 H 9.010 8.995 -1.014 1.00 . A A . 20 LEU HB2 1 1 3 1298 1 1 20 LEU HB3 H 8.156 7.456 -1.096 1.00 . A A . 20 LEU HB3 1 1 3 1299 1 1 20 LEU HD11 H 5.326 7.961 -0.657 1.00 . A A . 20 LEU HD11 1 1 3 1300 1 1 20 LEU HD12 H 5.465 8.249 1.077 1.00 . A A . 20 LEU HD12 1 1 3 1301 1 1 20 LEU HD13 H 6.444 6.998 0.313 1.00 . A A . 20 LEU HD13 1 1 3 1302 1 1 20 LEU HD21 H 6.534 10.615 1.201 1.00 . A A . 20 LEU HD21 1 1 3 1303 1 1 20 LEU HD22 H 8.276 10.368 1.077 1.00 . A A . 20 LEU HD22 1 1 3 1304 1 1 20 LEU HD23 H 7.293 9.264 2.040 1.00 . A A . 20 LEU HD23 1 1 3 1305 1 1 20 LEU HG H 6.789 9.629 -0.890 1.00 . A A . 20 LEU HG 1 1 3 1306 1 1 20 LEU N N 8.392 7.247 1.758 1.00 . A A . 20 LEU N 1 1 3 1307 1 1 20 LEU O O 11.055 9.339 0.519 1.00 . A A . 20 LEU O 1 1 3 1308 1 1 21 ARG C C 12.092 9.771 3.541 1.00 . A A . 21 ARG C 1 1 3 1309 1 1 21 ARG CA C 10.738 10.316 3.093 1.00 . A A . 21 ARG CA 1 1 3 1310 1 1 21 ARG CB C 9.997 10.914 4.287 1.00 . A A . 21 ARG CB 1 1 3 1311 1 1 21 ARG CD C 10.000 10.488 6.764 1.00 . A A . 21 ARG CD 1 1 3 1312 1 1 21 ARG CG C 9.706 9.908 5.391 1.00 . A A . 21 ARG CG 1 1 3 1313 1 1 21 ARG CZ C 7.771 11.223 7.497 1.00 . A A . 21 ARG CZ 1 1 3 1314 1 1 21 ARG H H 9.213 8.854 2.984 1.00 . A A . 21 ARG H 1 1 3 1315 1 1 21 ARG HA H 10.902 11.089 2.358 1.00 . A A . 21 ARG HA 1 1 3 1316 1 1 21 ARG HB2 H 10.593 11.710 4.706 1.00 . A A . 21 ARG HB2 1 1 3 1317 1 1 21 ARG HB3 H 9.056 11.322 3.945 1.00 . A A . 21 ARG HB3 1 1 3 1318 1 1 21 ARG HD2 H 9.980 9.688 7.490 1.00 . A A . 21 ARG HD2 1 1 3 1319 1 1 21 ARG HD3 H 10.982 10.937 6.749 1.00 . A A . 21 ARG HD3 1 1 3 1320 1 1 21 ARG HE H 9.314 12.438 7.150 1.00 . A A . 21 ARG HE 1 1 3 1321 1 1 21 ARG HG2 H 8.664 9.629 5.344 1.00 . A A . 21 ARG HG2 1 1 3 1322 1 1 21 ARG HG3 H 10.323 9.037 5.239 1.00 . A A . 21 ARG HG3 1 1 3 1323 1 1 21 ARG HH11 H 7.971 9.228 7.255 1.00 . A A . 21 ARG HH11 1 1 3 1324 1 1 21 ARG HH12 H 6.404 9.758 7.773 1.00 . A A . 21 ARG HH12 1 1 3 1325 1 1 21 ARG HH21 H 7.255 13.150 7.830 1.00 . A A . 21 ARG HH21 1 1 3 1326 1 1 21 ARG HH22 H 5.999 11.989 8.098 1.00 . A A . 21 ARG HH22 1 1 3 1327 1 1 21 ARG N N 9.937 9.269 2.472 1.00 . A A . 21 ARG N 1 1 3 1328 1 1 21 ARG NE N 9.021 11.503 7.150 1.00 . A A . 21 ARG NE 1 1 3 1329 1 1 21 ARG NH1 N 7.349 9.966 7.509 1.00 . A A . 21 ARG NH1 1 1 3 1330 1 1 21 ARG NH2 N 6.941 12.202 7.837 1.00 . A A . 21 ARG NH2 1 1 3 1331 1 1 21 ARG O O 12.496 9.952 4.692 1.00 . A A . 21 ARG O 1 1 3 1332 1 1 22 CYS C C 15.053 8.716 1.755 1.00 . A A . 22 CYS C 1 1 3 1333 1 1 22 CYS CA C 14.094 8.530 2.929 1.00 . A A . 22 CYS CA 1 1 3 1334 1 1 22 CYS CB C 13.958 7.041 3.261 1.00 . A A . 22 CYS CB 1 1 3 1335 1 1 22 CYS H H 12.412 8.991 1.728 1.00 . A A . 22 CYS H 1 1 3 1336 1 1 22 CYS HA H 14.492 9.045 3.787 1.00 . A A . 22 CYS HA 1 1 3 1337 1 1 22 CYS HB2 H 14.893 6.684 3.664 1.00 . A A . 22 CYS HB2 1 1 3 1338 1 1 22 CYS HB3 H 13.180 6.915 3.996 1.00 . A A . 22 CYS HB3 1 1 3 1339 1 1 22 CYS N N 12.787 9.102 2.627 1.00 . A A . 22 CYS N 1 1 3 1340 1 1 22 CYS O O 14.853 9.587 0.908 1.00 . A A . 22 CYS O 1 1 3 1341 1 1 22 CYS SG S 13.540 5.995 1.827 1.00 . A A . 22 CYS SG 1 1 3 1342 1 1 23 LYS C C 16.801 6.909 -0.425 1.00 . A A . 23 LYS C 1 1 3 1343 1 1 23 LYS CA C 17.082 7.961 0.643 1.00 . A A . 23 LYS CA 1 1 3 1344 1 1 23 LYS CB C 18.490 7.763 1.210 1.00 . A A . 23 LYS CB 1 1 3 1345 1 1 23 LYS CD C 20.493 9.274 1.349 1.00 . A A . 23 LYS CD 1 1 3 1346 1 1 23 LYS CE C 19.898 10.621 1.728 1.00 . A A . 23 LYS CE 1 1 3 1347 1 1 23 LYS CG C 19.567 8.496 0.428 1.00 . A A . 23 LYS CG 1 1 3 1348 1 1 23 LYS H H 16.197 7.216 2.418 1.00 . A A . 23 LYS H 1 1 3 1349 1 1 23 LYS HA H 17.017 8.939 0.194 1.00 . A A . 23 LYS HA 1 1 3 1350 1 1 23 LYS HB2 H 18.507 8.122 2.229 1.00 . A A . 23 LYS HB2 1 1 3 1351 1 1 23 LYS HB3 H 18.725 6.710 1.204 1.00 . A A . 23 LYS HB3 1 1 3 1352 1 1 23 LYS HD2 H 20.658 8.700 2.249 1.00 . A A . 23 LYS HD2 1 1 3 1353 1 1 23 LYS HD3 H 21.437 9.435 0.845 1.00 . A A . 23 LYS HD3 1 1 3 1354 1 1 23 LYS HE2 H 20.456 11.400 1.231 1.00 . A A . 23 LYS HE2 1 1 3 1355 1 1 23 LYS HE3 H 18.869 10.650 1.398 1.00 . A A . 23 LYS HE3 1 1 3 1356 1 1 23 LYS HG2 H 20.150 7.774 -0.124 1.00 . A A . 23 LYS HG2 1 1 3 1357 1 1 23 LYS HG3 H 19.096 9.183 -0.258 1.00 . A A . 23 LYS HG3 1 1 3 1358 1 1 23 LYS HZ1 H 19.516 10.051 3.700 1.00 . A A . 23 LYS HZ1 1 1 3 1359 1 1 23 LYS HZ2 H 19.415 11.718 3.439 1.00 . A A . 23 LYS HZ2 1 1 3 1360 1 1 23 LYS HZ3 H 20.927 10.964 3.512 1.00 . A A . 23 LYS HZ3 1 1 3 1361 1 1 23 LYS N N 16.093 7.890 1.712 1.00 . A A . 23 LYS N 1 1 3 1362 1 1 23 LYS NZ N 19.942 10.854 3.198 1.00 . A A . 23 LYS NZ 1 1 3 1363 1 1 23 LYS O O 16.920 7.180 -1.622 1.00 . A A . 23 LYS O 1 1 3 1364 1 1 24 LEU C C 14.918 3.827 -0.440 1.00 . A A . 24 LEU C 1 1 3 1365 1 1 24 LEU CA C 16.133 4.619 -0.911 1.00 . A A . 24 LEU CA 1 1 3 1366 1 1 24 LEU CB C 17.342 3.691 -1.041 1.00 . A A . 24 LEU CB 1 1 3 1367 1 1 24 LEU CD1 C 19.067 5.300 -1.888 1.00 . A A . 24 LEU CD1 1 1 3 1368 1 1 24 LEU CD2 C 19.287 2.860 -2.387 1.00 . A A . 24 LEU CD2 1 1 3 1369 1 1 24 LEU CG C 18.314 4.011 -2.177 1.00 . A A . 24 LEU CG 1 1 3 1370 1 1 24 LEU H H 16.355 5.555 0.975 1.00 . A A . 24 LEU H 1 1 3 1371 1 1 24 LEU HA H 15.916 5.050 -1.876 1.00 . A A . 24 LEU HA 1 1 3 1372 1 1 24 LEU HB2 H 17.892 3.734 -0.112 1.00 . A A . 24 LEU HB2 1 1 3 1373 1 1 24 LEU HB3 H 16.973 2.687 -1.193 1.00 . A A . 24 LEU HB3 1 1 3 1374 1 1 24 LEU HD11 H 20.124 5.144 -2.042 1.00 . A A . 24 LEU HD11 1 1 3 1375 1 1 24 LEU HD12 H 18.894 5.598 -0.864 1.00 . A A . 24 LEU HD12 1 1 3 1376 1 1 24 LEU HD13 H 18.718 6.078 -2.553 1.00 . A A . 24 LEU HD13 1 1 3 1377 1 1 24 LEU HD21 H 20.008 2.849 -1.583 1.00 . A A . 24 LEU HD21 1 1 3 1378 1 1 24 LEU HD22 H 19.800 2.990 -3.328 1.00 . A A . 24 LEU HD22 1 1 3 1379 1 1 24 LEU HD23 H 18.745 1.927 -2.396 1.00 . A A . 24 LEU HD23 1 1 3 1380 1 1 24 LEU HG H 17.757 4.148 -3.091 1.00 . A A . 24 LEU HG 1 1 3 1381 1 1 24 LEU N N 16.432 5.711 0.011 1.00 . A A . 24 LEU N 1 1 3 1382 1 1 24 LEU O O 13.778 4.181 -0.743 1.00 . A A . 24 LEU O 1 1 3 1383 1 1 25 TRP C C 13.164 2.711 1.724 1.00 . A A . 25 TRP C 1 1 3 1384 1 1 25 TRP CA C 14.094 1.914 0.817 1.00 . A A . 25 TRP CA 1 1 3 1385 1 1 25 TRP CB C 14.673 0.721 1.580 1.00 . A A . 25 TRP CB 1 1 3 1386 1 1 25 TRP CD1 C 12.963 0.035 3.362 1.00 . A A . 25 TRP CD1 1 1 3 1387 1 1 25 TRP CD2 C 14.782 1.053 4.178 1.00 . A A . 25 TRP CD2 1 1 3 1388 1 1 25 TRP CE2 C 13.928 0.730 5.250 1.00 . A A . 25 TRP CE2 1 1 3 1389 1 1 25 TRP CE3 C 15.991 1.698 4.449 1.00 . A A . 25 TRP CE3 1 1 3 1390 1 1 25 TRP CG C 14.145 0.599 2.978 1.00 . A A . 25 TRP CG 1 1 3 1391 1 1 25 TRP CH2 C 15.436 1.666 6.810 1.00 . A A . 25 TRP CH2 1 1 3 1392 1 1 25 TRP CZ2 C 14.246 1.033 6.574 1.00 . A A . 25 TRP CZ2 1 1 3 1393 1 1 25 TRP CZ3 C 16.305 2.001 5.761 1.00 . A A . 25 TRP CZ3 1 1 3 1394 1 1 25 TRP H H 16.097 2.524 0.511 1.00 . A A . 25 TRP H 1 1 3 1395 1 1 25 TRP HA H 13.527 1.548 -0.026 1.00 . A A . 25 TRP HA 1 1 3 1396 1 1 25 TRP HB2 H 14.432 -0.188 1.052 1.00 . A A . 25 TRP HB2 1 1 3 1397 1 1 25 TRP HB3 H 15.748 0.827 1.637 1.00 . A A . 25 TRP HB3 1 1 3 1398 1 1 25 TRP HD1 H 12.249 -0.403 2.680 1.00 . A A . 25 TRP HD1 1 1 3 1399 1 1 25 TRP HE1 H 12.063 -0.226 5.241 1.00 . A A . 25 TRP HE1 1 1 3 1400 1 1 25 TRP HE3 H 16.673 1.965 3.656 1.00 . A A . 25 TRP HE3 1 1 3 1401 1 1 25 TRP HH2 H 15.721 1.921 7.820 1.00 . A A . 25 TRP HH2 1 1 3 1402 1 1 25 TRP HZ2 H 13.589 0.782 7.390 1.00 . A A . 25 TRP HZ2 1 1 3 1403 1 1 25 TRP HZ3 H 17.234 2.500 5.992 1.00 . A A . 25 TRP HZ3 1 1 3 1404 1 1 25 TRP N N 15.168 2.756 0.302 1.00 . A A . 25 TRP N 1 1 3 1405 1 1 25 TRP NE1 N 12.825 0.111 4.727 1.00 . A A . 25 TRP NE1 1 1 3 1406 1 1 25 TRP O O 13.533 3.081 2.838 1.00 . A A . 25 TRP O 1 1 3 1407 1 1 26 CYS C C 11.024 3.346 3.483 1.00 . A A . 26 CYS C 1 1 3 1408 1 1 26 CYS CA C 10.971 3.731 2.007 1.00 . A A . 26 CYS CA 1 1 3 1409 1 1 26 CYS CB C 9.566 3.484 1.455 1.00 . A A . 26 CYS CB 1 1 3 1410 1 1 26 CYS H H 11.718 2.655 0.343 1.00 . A A . 26 CYS H 1 1 3 1411 1 1 26 CYS HA H 11.210 4.779 1.911 1.00 . A A . 26 CYS HA 1 1 3 1412 1 1 26 CYS HB2 H 9.435 2.427 1.282 1.00 . A A . 26 CYS HB2 1 1 3 1413 1 1 26 CYS HB3 H 8.839 3.819 2.181 1.00 . A A . 26 CYS HB3 1 1 3 1414 1 1 26 CYS N N 11.954 2.976 1.239 1.00 . A A . 26 CYS N 1 1 3 1415 1 1 26 CYS O O 11.056 2.166 3.829 1.00 . A A . 26 CYS O 1 1 3 1416 1 1 26 CYS SG S 9.223 4.347 -0.113 1.00 . A A . 26 CYS SG 1 1 3 1417 1 1 27 ARG C C 9.680 4.180 6.396 1.00 . A A . 27 ARG C 1 1 3 1418 1 1 27 ARG CA C 11.080 4.124 5.789 1.00 . A A . 27 ARG CA 1 1 3 1419 1 1 27 ARG CB C 11.980 5.163 6.462 1.00 . A A . 27 ARG CB 1 1 3 1420 1 1 27 ARG CD C 14.259 6.221 6.520 1.00 . A A . 27 ARG CD 1 1 3 1421 1 1 27 ARG CG C 13.456 4.984 6.147 1.00 . A A . 27 ARG CG 1 1 3 1422 1 1 27 ARG CZ C 16.542 7.087 6.229 1.00 . A A . 27 ARG CZ 1 1 3 1423 1 1 27 ARG H H 11.004 5.276 4.015 1.00 . A A . 27 ARG H 1 1 3 1424 1 1 27 ARG HA H 11.493 3.142 5.954 1.00 . A A . 27 ARG HA 1 1 3 1425 1 1 27 ARG HB2 H 11.681 6.148 6.136 1.00 . A A . 27 ARG HB2 1 1 3 1426 1 1 27 ARG HB3 H 11.852 5.092 7.533 1.00 . A A . 27 ARG HB3 1 1 3 1427 1 1 27 ARG HD2 H 13.844 7.073 6.001 1.00 . A A . 27 ARG HD2 1 1 3 1428 1 1 27 ARG HD3 H 14.181 6.377 7.585 1.00 . A A . 27 ARG HD3 1 1 3 1429 1 1 27 ARG HE H 15.977 5.210 5.856 1.00 . A A . 27 ARG HE 1 1 3 1430 1 1 27 ARG HG2 H 13.835 4.142 6.705 1.00 . A A . 27 ARG HG2 1 1 3 1431 1 1 27 ARG HG3 H 13.569 4.798 5.090 1.00 . A A . 27 ARG HG3 1 1 3 1432 1 1 27 ARG HH11 H 15.198 8.439 6.899 1.00 . A A . 27 ARG HH11 1 1 3 1433 1 1 27 ARG HH12 H 16.812 9.036 6.691 1.00 . A A . 27 ARG HH12 1 1 3 1434 1 1 27 ARG HH21 H 18.104 5.984 5.577 1.00 . A A . 27 ARG HH21 1 1 3 1435 1 1 27 ARG HH22 H 18.463 7.638 5.937 1.00 . A A . 27 ARG HH22 1 1 3 1436 1 1 27 ARG N N 11.031 4.355 4.350 1.00 . A A . 27 ARG N 1 1 3 1437 1 1 27 ARG NE N 15.667 6.088 6.161 1.00 . A A . 27 ARG NE 1 1 3 1438 1 1 27 ARG NH1 N 16.152 8.286 6.640 1.00 . A A . 27 ARG NH1 1 1 3 1439 1 1 27 ARG NH2 N 17.808 6.886 5.885 1.00 . A A . 27 ARG NH2 1 1 3 1440 1 1 27 ARG O O 9.253 5.216 6.905 1.00 . A A . 27 ARG O 1 1 3 1441 1 1 28 LYS C C 7.392 1.630 7.566 1.00 . A A . 28 LYS C 1 1 3 1442 1 1 28 LYS CA C 7.621 2.974 6.883 1.00 . A A . 28 LYS CA 1 1 3 1443 1 1 28 LYS CB C 6.590 3.177 5.772 1.00 . A A . 28 LYS CB 1 1 3 1444 1 1 28 LYS CD C 4.903 4.648 6.910 1.00 . A A . 28 LYS CD 1 1 3 1445 1 1 28 LYS CE C 3.595 3.975 6.526 1.00 . A A . 28 LYS CE 1 1 3 1446 1 1 28 LYS CG C 5.931 4.545 5.796 1.00 . A A . 28 LYS CG 1 1 3 1447 1 1 28 LYS H H 9.369 2.263 5.921 1.00 . A A . 28 LYS H 1 1 3 1448 1 1 28 LYS HA H 7.510 3.760 7.614 1.00 . A A . 28 LYS HA 1 1 3 1449 1 1 28 LYS HB2 H 7.077 3.051 4.816 1.00 . A A . 28 LYS HB2 1 1 3 1450 1 1 28 LYS HB3 H 5.818 2.427 5.873 1.00 . A A . 28 LYS HB3 1 1 3 1451 1 1 28 LYS HD2 H 5.294 4.171 7.796 1.00 . A A . 28 LYS HD2 1 1 3 1452 1 1 28 LYS HD3 H 4.714 5.692 7.116 1.00 . A A . 28 LYS HD3 1 1 3 1453 1 1 28 LYS HE2 H 3.524 3.941 5.451 1.00 . A A . 28 LYS HE2 1 1 3 1454 1 1 28 LYS HE3 H 3.595 2.966 6.918 1.00 . A A . 28 LYS HE3 1 1 3 1455 1 1 28 LYS HG2 H 6.689 5.296 5.950 1.00 . A A . 28 LYS HG2 1 1 3 1456 1 1 28 LYS HG3 H 5.440 4.714 4.848 1.00 . A A . 28 LYS HG3 1 1 3 1457 1 1 28 LYS HZ1 H 2.231 4.408 8.048 1.00 . A A . 28 LYS HZ1 1 1 3 1458 1 1 28 LYS HZ2 H 1.573 4.497 6.494 1.00 . A A . 28 LYS HZ2 1 1 3 1459 1 1 28 LYS HZ3 H 2.590 5.728 7.052 1.00 . A A . 28 LYS HZ3 1 1 3 1460 1 1 28 LYS N N 8.972 3.056 6.338 1.00 . A A . 28 LYS N 1 1 3 1461 1 1 28 LYS NZ N 2.415 4.703 7.068 1.00 . A A . 28 LYS NZ 1 1 3 1462 1 1 28 LYS O O 7.501 1.518 8.788 1.00 . A A . 28 LYS O 1 1 3 1463 1 1 29 ILE C C 8.042 -1.630 7.080 1.00 . A A . 29 ILE C 1 1 3 1464 1 1 29 ILE CA C 6.835 -0.723 7.301 1.00 . A A . 29 ILE CA 1 1 3 1465 1 1 29 ILE CB C 5.597 -1.370 6.653 1.00 . A A . 29 ILE CB 1 1 3 1466 1 1 29 ILE CD1 C 5.087 -0.063 4.529 1.00 . A A . 29 ILE CD1 1 1 3 1467 1 1 29 ILE CG1 C 5.702 -1.308 5.127 1.00 . A A . 29 ILE CG1 1 1 3 1468 1 1 29 ILE CG2 C 4.328 -0.678 7.129 1.00 . A A . 29 ILE CG2 1 1 3 1469 1 1 29 ILE H H 7.007 0.765 5.804 1.00 . A A . 29 ILE H 1 1 3 1470 1 1 29 ILE HA H 6.656 -0.633 8.362 1.00 . A A . 29 ILE HA 1 1 3 1471 1 1 29 ILE HB H 5.553 -2.402 6.962 1.00 . A A . 29 ILE HB 1 1 3 1472 1 1 29 ILE HD11 H 5.602 0.190 3.614 1.00 . A A . 29 ILE HD11 1 1 3 1473 1 1 29 ILE HD12 H 4.043 -0.242 4.317 1.00 . A A . 29 ILE HD12 1 1 3 1474 1 1 29 ILE HD13 H 5.176 0.755 5.228 1.00 . A A . 29 ILE HD13 1 1 3 1475 1 1 29 ILE HG12 H 6.742 -1.332 4.843 1.00 . A A . 29 ILE HG12 1 1 3 1476 1 1 29 ILE HG13 H 5.198 -2.164 4.705 1.00 . A A . 29 ILE HG13 1 1 3 1477 1 1 29 ILE HG21 H 4.077 -1.031 8.120 1.00 . A A . 29 ILE HG21 1 1 3 1478 1 1 29 ILE HG22 H 4.488 0.389 7.159 1.00 . A A . 29 ILE HG22 1 1 3 1479 1 1 29 ILE HG23 H 3.518 -0.904 6.452 1.00 . A A . 29 ILE HG23 1 1 3 1480 1 1 29 ILE N N 7.078 0.613 6.771 1.00 . A A . 29 ILE N 1 1 3 1481 1 1 29 ILE O O 7.976 -2.591 6.312 1.00 . A A . 29 ILE O 1 1 3 1482 1 1 30 ILE C C 10.132 -3.545 8.080 1.00 . A A . 30 ILE C 1 1 3 1483 1 1 30 ILE CA C 10.361 -2.104 7.636 1.00 . A A . 30 ILE CA 1 1 3 1484 1 1 30 ILE CB C 11.507 -1.498 8.470 1.00 . A A . 30 ILE CB 1 1 3 1485 1 1 30 ILE CD1 C 10.989 0.688 7.277 1.00 . A A . 30 ILE CD1 1 1 3 1486 1 1 30 ILE CG1 C 11.336 0.017 8.587 1.00 . A A . 30 ILE CG1 1 1 3 1487 1 1 30 ILE CG2 C 12.852 -1.841 7.848 1.00 . A A . 30 ILE CG2 1 1 3 1488 1 1 30 ILE H H 9.131 -0.539 8.352 1.00 . A A . 30 ILE H 1 1 3 1489 1 1 30 ILE HA H 10.660 -2.101 6.598 1.00 . A A . 30 ILE HA 1 1 3 1490 1 1 30 ILE HB H 11.473 -1.935 9.458 1.00 . A A . 30 ILE HB 1 1 3 1491 1 1 30 ILE HD11 H 10.053 1.216 7.381 1.00 . A A . 30 ILE HD11 1 1 3 1492 1 1 30 ILE HD12 H 11.769 1.385 7.009 1.00 . A A . 30 ILE HD12 1 1 3 1493 1 1 30 ILE HD13 H 10.894 -0.062 6.503 1.00 . A A . 30 ILE HD13 1 1 3 1494 1 1 30 ILE HG12 H 10.546 0.231 9.289 1.00 . A A . 30 ILE HG12 1 1 3 1495 1 1 30 ILE HG13 H 12.259 0.448 8.947 1.00 . A A . 30 ILE HG13 1 1 3 1496 1 1 30 ILE HG21 H 12.786 -1.751 6.776 1.00 . A A . 30 ILE HG21 1 1 3 1497 1 1 30 ILE HG22 H 13.604 -1.159 8.219 1.00 . A A . 30 ILE HG22 1 1 3 1498 1 1 30 ILE HG23 H 13.125 -2.852 8.109 1.00 . A A . 30 ILE HG23 1 1 3 1499 1 1 30 ILE N N 9.141 -1.317 7.756 1.00 . A A . 30 ILE N 1 1 3 1500 1 1 30 ILE O O 10.008 -4.448 7.253 1.00 . A A . 30 ILE O 1 1 4 1501 1 1 1 ARG C C -0.020 -4.512 2.346 1.00 . A A . 1 ARG C 1 1 4 1502 1 1 1 ARG CA C 0.929 -5.664 2.616 1.00 . A A . 1 ARG CA 1 1 4 1503 1 1 1 ARG H1 H 2.055 -6.848 1.270 1.00 . A A . 1 ARG H1 1 1 4 1504 1 1 1 ARG HA H 0.350 -6.553 2.818 1.00 . A A . 1 ARG HA 1 1 4 1505 1 1 1 ARG N N 1.818 -5.925 1.499 1.00 . A A . 1 ARG N 1 1 4 1506 1 1 1 ARG O O -0.679 -4.473 1.307 1.00 . A A . 1 ARG O 1 1 4 1507 1 1 2 TYR C C -0.206 -1.220 2.590 1.00 . A A . 2 TYR C 1 1 4 1508 1 1 2 TYR CA C -0.970 -2.420 3.143 1.00 . A A . 2 TYR CA 1 1 4 1509 1 1 2 TYR CB C -1.596 -2.062 4.493 1.00 . A A . 2 TYR CB 1 1 4 1510 1 1 2 TYR CD1 C -1.826 -3.685 6.413 1.00 . A A . 2 TYR CD1 1 1 4 1511 1 1 2 TYR CD2 C -3.345 -3.879 4.588 1.00 . A A . 2 TYR CD2 1 1 4 1512 1 1 2 TYR CE1 C -2.437 -4.751 7.043 1.00 . A A . 2 TYR CE1 1 1 4 1513 1 1 2 TYR CE2 C -3.964 -4.947 5.209 1.00 . A A . 2 TYR CE2 1 1 4 1514 1 1 2 TYR CG C -2.269 -3.229 5.177 1.00 . A A . 2 TYR CG 1 1 4 1515 1 1 2 TYR CZ C -3.506 -5.380 6.437 1.00 . A A . 2 TYR CZ 1 1 4 1516 1 1 2 TYR H H 0.457 -3.663 4.091 1.00 . A A . 2 TYR H 1 1 4 1517 1 1 2 TYR HA H -1.756 -2.683 2.451 1.00 . A A . 2 TYR HA 1 1 4 1518 1 1 2 TYR HB2 H -0.826 -1.690 5.153 1.00 . A A . 2 TYR HB2 1 1 4 1519 1 1 2 TYR HB3 H -2.338 -1.290 4.344 1.00 . A A . 2 TYR HB3 1 1 4 1520 1 1 2 TYR HD1 H -0.990 -3.190 6.886 1.00 . A A . 2 TYR HD1 1 1 4 1521 1 1 2 TYR HD2 H -3.701 -3.538 3.626 1.00 . A A . 2 TYR HD2 1 1 4 1522 1 1 2 TYR HE1 H -2.079 -5.090 8.005 1.00 . A A . 2 TYR HE1 1 1 4 1523 1 1 2 TYR HE2 H -4.800 -5.439 4.735 1.00 . A A . 2 TYR HE2 1 1 4 1524 1 1 2 TYR HH H -3.761 -7.264 6.715 1.00 . A A . 2 TYR HH 1 1 4 1525 1 1 2 TYR N N -0.092 -3.575 3.284 1.00 . A A . 2 TYR N 1 1 4 1526 1 1 2 TYR O O -0.375 -0.092 3.056 1.00 . A A . 2 TYR O 1 1 4 1527 1 1 2 TYR OH O -4.119 -6.443 7.060 1.00 . A A . 2 TYR OH 1 1 4 1528 1 1 3 CYS C C 1.744 -0.756 -0.483 1.00 . A A . 3 CYS C 1 1 4 1529 1 1 3 CYS CA C 1.421 -0.414 0.969 1.00 . A A . 3 CYS CA 1 1 4 1530 1 1 3 CYS CB C 2.715 -0.187 1.753 1.00 . A A . 3 CYS CB 1 1 4 1531 1 1 3 CYS H H 0.723 -2.391 1.261 1.00 . A A . 3 CYS H 1 1 4 1532 1 1 3 CYS HA H 0.837 0.494 0.990 1.00 . A A . 3 CYS HA 1 1 4 1533 1 1 3 CYS HB2 H 2.976 -1.100 2.273 1.00 . A A . 3 CYS HB2 1 1 4 1534 1 1 3 CYS HB3 H 3.506 0.064 1.062 1.00 . A A . 3 CYS HB3 1 1 4 1535 1 1 3 CYS N N 0.631 -1.471 1.589 1.00 . A A . 3 CYS N 1 1 4 1536 1 1 3 CYS O O 1.219 -1.722 -1.033 1.00 . A A . 3 CYS O 1 1 4 1537 1 1 3 CYS SG S 2.615 1.144 2.990 1.00 . A A . 3 CYS SG 1 1 4 1538 1 1 4 GLN C C 4.519 -0.344 -2.596 1.00 . A A . 4 GLN C 1 1 4 1539 1 1 4 GLN CA C 3.007 -0.178 -2.479 1.00 . A A . 4 GLN CA 1 1 4 1540 1 1 4 GLN CB C 2.542 0.987 -3.353 1.00 . A A . 4 GLN CB 1 1 4 1541 1 1 4 GLN CD C 0.168 1.178 -2.507 1.00 . A A . 4 GLN CD 1 1 4 1542 1 1 4 GLN CG C 1.502 1.874 -2.684 1.00 . A A . 4 GLN CG 1 1 4 1543 1 1 4 GLN H H 2.999 0.795 -0.600 1.00 . A A . 4 GLN H 1 1 4 1544 1 1 4 GLN HA H 2.531 -1.085 -2.820 1.00 . A A . 4 GLN HA 1 1 4 1545 1 1 4 GLN HB2 H 3.396 1.598 -3.606 1.00 . A A . 4 GLN HB2 1 1 4 1546 1 1 4 GLN HB3 H 2.113 0.593 -4.262 1.00 . A A . 4 GLN HB3 1 1 4 1547 1 1 4 GLN HE21 H 0.078 0.803 -4.459 1.00 . A A . 4 GLN HE21 1 1 4 1548 1 1 4 GLN HE22 H -1.257 0.235 -3.522 1.00 . A A . 4 GLN HE22 1 1 4 1549 1 1 4 GLN HG2 H 1.871 2.165 -1.713 1.00 . A A . 4 GLN HG2 1 1 4 1550 1 1 4 GLN HG3 H 1.357 2.756 -3.292 1.00 . A A . 4 GLN HG3 1 1 4 1551 1 1 4 GLN N N 2.616 0.042 -1.091 1.00 . A A . 4 GLN N 1 1 4 1552 1 1 4 GLN NE2 N -0.394 0.688 -3.608 1.00 . A A . 4 GLN NE2 1 1 4 1553 1 1 4 GLN O O 5.242 0.618 -2.858 1.00 . A A . 4 GLN O 1 1 4 1554 1 1 4 GLN OE1 O -0.352 1.080 -1.396 1.00 . A A . 4 GLN OE1 1 1 4 1555 1 1 5 LYS C C 7.246 -0.687 -1.985 1.00 . A A . 5 LYS C 1 1 4 1556 1 1 5 LYS CA C 6.416 -1.864 -2.485 1.00 . A A . 5 LYS CA 1 1 4 1557 1 1 5 LYS CB C 6.804 -2.200 -3.927 1.00 . A A . 5 LYS CB 1 1 4 1558 1 1 5 LYS CD C 5.035 -3.865 -4.566 1.00 . A A . 5 LYS CD 1 1 4 1559 1 1 5 LYS CE C 4.777 -4.363 -5.979 1.00 . A A . 5 LYS CE 1 1 4 1560 1 1 5 LYS CG C 6.518 -3.640 -4.315 1.00 . A A . 5 LYS CG 1 1 4 1561 1 1 5 LYS H H 4.365 -2.296 -2.195 1.00 . A A . 5 LYS H 1 1 4 1562 1 1 5 LYS HA H 6.617 -2.722 -1.859 1.00 . A A . 5 LYS HA 1 1 4 1563 1 1 5 LYS HB2 H 6.255 -1.552 -4.595 1.00 . A A . 5 LYS HB2 1 1 4 1564 1 1 5 LYS HB3 H 7.862 -2.019 -4.053 1.00 . A A . 5 LYS HB3 1 1 4 1565 1 1 5 LYS HD2 H 4.667 -4.599 -3.865 1.00 . A A . 5 LYS HD2 1 1 4 1566 1 1 5 LYS HD3 H 4.509 -2.932 -4.421 1.00 . A A . 5 LYS HD3 1 1 4 1567 1 1 5 LYS HE2 H 4.495 -3.524 -6.597 1.00 . A A . 5 LYS HE2 1 1 4 1568 1 1 5 LYS HE3 H 5.687 -4.802 -6.362 1.00 . A A . 5 LYS HE3 1 1 4 1569 1 1 5 LYS HG2 H 7.064 -3.876 -5.216 1.00 . A A . 5 LYS HG2 1 1 4 1570 1 1 5 LYS HG3 H 6.841 -4.290 -3.514 1.00 . A A . 5 LYS HG3 1 1 4 1571 1 1 5 LYS HZ1 H 2.827 -4.966 -6.421 1.00 . A A . 5 LYS HZ1 1 1 4 1572 1 1 5 LYS HZ2 H 3.488 -5.722 -5.058 1.00 . A A . 5 LYS HZ2 1 1 4 1573 1 1 5 LYS HZ3 H 3.981 -6.188 -6.608 1.00 . A A . 5 LYS HZ3 1 1 4 1574 1 1 5 LYS N N 4.991 -1.571 -2.400 1.00 . A A . 5 LYS N 1 1 4 1575 1 1 5 LYS NZ N 3.694 -5.382 -6.020 1.00 . A A . 5 LYS NZ 1 1 4 1576 1 1 5 LYS O O 8.198 -0.261 -2.641 1.00 . A A . 5 LYS O 1 1 4 1577 1 1 6 TRP C C 9.097 0.833 -0.449 1.00 . A A . 6 TRP C 1 1 4 1578 1 1 6 TRP CA C 7.592 0.965 -0.232 1.00 . A A . 6 TRP CA 1 1 4 1579 1 1 6 TRP CB C 7.286 1.063 1.264 1.00 . A A . 6 TRP CB 1 1 4 1580 1 1 6 TRP CD1 C 8.995 0.504 3.090 1.00 . A A . 6 TRP CD1 1 1 4 1581 1 1 6 TRP CD2 C 8.164 -1.284 2.028 1.00 . A A . 6 TRP CD2 1 1 4 1582 1 1 6 TRP CE2 C 9.085 -1.726 2.999 1.00 . A A . 6 TRP CE2 1 1 4 1583 1 1 6 TRP CE3 C 7.513 -2.233 1.236 1.00 . A A . 6 TRP CE3 1 1 4 1584 1 1 6 TRP CG C 8.122 0.145 2.104 1.00 . A A . 6 TRP CG 1 1 4 1585 1 1 6 TRP CH2 C 8.717 -3.982 2.405 1.00 . A A . 6 TRP CH2 1 1 4 1586 1 1 6 TRP CZ2 C 9.369 -3.074 3.195 1.00 . A A . 6 TRP CZ2 1 1 4 1587 1 1 6 TRP CZ3 C 7.798 -3.572 1.431 1.00 . A A . 6 TRP CZ3 1 1 4 1588 1 1 6 TRP H H 6.113 -0.546 -0.344 1.00 . A A . 6 TRP H 1 1 4 1589 1 1 6 TRP HA H 7.248 1.865 -0.721 1.00 . A A . 6 TRP HA 1 1 4 1590 1 1 6 TRP HB2 H 7.467 2.075 1.596 1.00 . A A . 6 TRP HB2 1 1 4 1591 1 1 6 TRP HB3 H 6.248 0.815 1.427 1.00 . A A . 6 TRP HB3 1 1 4 1592 1 1 6 TRP HD1 H 9.190 1.522 3.390 1.00 . A A . 6 TRP HD1 1 1 4 1593 1 1 6 TRP HE1 H 10.239 -0.620 4.357 1.00 . A A . 6 TRP HE1 1 1 4 1594 1 1 6 TRP HE3 H 6.801 -1.936 0.479 1.00 . A A . 6 TRP HE3 1 1 4 1595 1 1 6 TRP HH2 H 8.907 -5.038 2.524 1.00 . A A . 6 TRP HH2 1 1 4 1596 1 1 6 TRP HZ2 H 10.075 -3.406 3.943 1.00 . A A . 6 TRP HZ2 1 1 4 1597 1 1 6 TRP HZ3 H 7.304 -4.319 0.829 1.00 . A A . 6 TRP HZ3 1 1 4 1598 1 1 6 TRP N N 6.881 -0.164 -0.820 1.00 . A A . 6 TRP N 1 1 4 1599 1 1 6 TRP NE1 N 9.578 -0.615 3.633 1.00 . A A . 6 TRP NE1 1 1 4 1600 1 1 6 TRP O O 9.836 1.811 -0.595 1.00 . A A . 6 TRP O 1 1 4 1601 1 1 7 NLE C C 11.780 0.085 -1.628 1.00 . A A . 7 NLE C 1 1 4 1602 1 1 7 NLE CA C 11.044 -0.722 -0.503 1.00 . A A . 7 NLE CA 1 1 4 1603 1 1 7 NLE CB C 11.189 -2.266 -0.617 1.00 . A A . 7 NLE CB 1 1 4 1604 1 1 7 NLE CD C 12.765 -4.068 0.330 1.00 . A A . 7 NLE CD 1 1 4 1605 1 1 7 NLE CE C 13.394 -5.135 -0.462 1.00 . A A . 7 NLE CE 1 1 4 1606 1 1 7 NLE CG C 12.646 -2.782 -0.505 1.00 . A A . 7 NLE CG 1 1 4 1607 1 1 7 NLE H H 8.873 -1.143 -0.338 1.00 . A A . 7 NLE H 1 1 4 1608 1 1 7 NLE HA H 11.497 -0.453 0.476 1.00 . A A . 7 NLE HA 1 1 4 1609 1 1 7 NLE HB2 H 10.590 -2.751 0.179 1.00 . A A . 7 NLE HB2 1 1 4 1610 1 1 7 NLE HB3 H 10.749 -2.619 -1.571 1.00 . A A . 7 NLE HB3 1 1 4 1611 1 1 7 NLE HD2 H 13.367 -3.891 1.246 1.00 . A A . 7 NLE HD2 1 1 4 1612 1 1 7 NLE HD3 H 11.771 -4.406 0.682 1.00 . A A . 7 NLE HD3 1 1 4 1613 1 1 7 NLE HE1 H 14.345 -4.863 -0.745 1.00 . A A . 7 NLE HE1 1 1 4 1614 1 1 7 NLE HE2 H 13.457 -5.991 0.103 1.00 . A A . 7 NLE HE2 1 1 4 1615 1 1 7 NLE HE3 H 12.837 -5.340 -1.300 1.00 . A A . 7 NLE HE3 1 1 4 1616 1 1 7 NLE HG2 H 13.062 -2.971 -1.515 1.00 . A A . 7 NLE HG2 1 1 4 1617 1 1 7 NLE HG3 H 13.306 -2.009 -0.062 1.00 . A A . 7 NLE HG3 1 1 4 1618 1 1 7 NLE N N 9.585 -0.420 -0.471 1.00 . A A . 7 NLE N 1 1 4 1619 1 1 7 NLE O O 13.008 0.170 -1.614 1.00 . A A . 7 NLE O 1 1 4 1620 1 1 8 TRP C C 12.594 2.478 -3.089 1.00 . A A . 8 TRP C 1 1 4 1621 1 1 8 TRP CA C 11.611 1.449 -3.637 1.00 . A A . 8 TRP CA 1 1 4 1622 1 1 8 TRP CB C 10.513 2.151 -4.437 1.00 . A A . 8 TRP CB 1 1 4 1623 1 1 8 TRP CD1 C 9.688 -0.104 -5.332 1.00 . A A . 8 TRP CD1 1 1 4 1624 1 1 8 TRP CD2 C 8.128 1.500 -5.307 1.00 . A A . 8 TRP CD2 1 1 4 1625 1 1 8 TRP CE2 C 7.552 0.321 -5.817 1.00 . A A . 8 TRP CE2 1 1 4 1626 1 1 8 TRP CE3 C 7.335 2.646 -5.197 1.00 . A A . 8 TRP CE3 1 1 4 1627 1 1 8 TRP CG C 9.494 1.206 -5.004 1.00 . A A . 8 TRP CG 1 1 4 1628 1 1 8 TRP CH2 C 5.465 1.394 -6.097 1.00 . A A . 8 TRP CH2 1 1 4 1629 1 1 8 TRP CZ2 C 6.219 0.259 -6.217 1.00 . A A . 8 TRP CZ2 1 1 4 1630 1 1 8 TRP CZ3 C 6.012 2.580 -5.593 1.00 . A A . 8 TRP CZ3 1 1 4 1631 1 1 8 TRP H H 10.053 0.558 -2.515 1.00 . A A . 8 TRP H 1 1 4 1632 1 1 8 TRP HA H 12.143 0.771 -4.287 1.00 . A A . 8 TRP HA 1 1 4 1633 1 1 8 TRP HB2 H 9.998 2.849 -3.795 1.00 . A A . 8 TRP HB2 1 1 4 1634 1 1 8 TRP HB3 H 10.964 2.687 -5.259 1.00 . A A . 8 TRP HB3 1 1 4 1635 1 1 8 TRP HD1 H 10.626 -0.630 -5.222 1.00 . A A . 8 TRP HD1 1 1 4 1636 1 1 8 TRP HE1 H 8.407 -1.568 -6.128 1.00 . A A . 8 TRP HE1 1 1 4 1637 1 1 8 TRP HE3 H 7.738 3.570 -4.810 1.00 . A A . 8 TRP HE3 1 1 4 1638 1 1 8 TRP HH2 H 4.428 1.389 -6.396 1.00 . A A . 8 TRP HH2 1 1 4 1639 1 1 8 TRP HZ2 H 5.782 -0.650 -6.606 1.00 . A A . 8 TRP HZ2 1 1 4 1640 1 1 8 TRP HZ3 H 5.385 3.456 -5.517 1.00 . A A . 8 TRP HZ3 1 1 4 1641 1 1 8 TRP N N 11.026 0.662 -2.557 1.00 . A A . 8 TRP N 1 1 4 1642 1 1 8 TRP NE1 N 8.524 -0.643 -5.824 1.00 . A A . 8 TRP NE1 1 1 4 1643 1 1 8 TRP O O 12.648 2.721 -1.883 1.00 . A A . 8 TRP O 1 1 4 1644 1 1 9 THR C C 13.705 5.451 -3.415 1.00 . A A . 9 THR C 1 1 4 1645 1 1 9 THR CA C 14.353 4.083 -3.589 1.00 . A A . 9 THR CA 1 1 4 1646 1 1 9 THR CB C 15.490 4.194 -4.624 1.00 . A A . 9 THR CB 1 1 4 1647 1 1 9 THR CG2 C 14.927 4.310 -6.034 1.00 . A A . 9 THR CG2 1 1 4 1648 1 1 9 THR H H 13.282 2.844 -4.930 1.00 . A A . 9 THR H 1 1 4 1649 1 1 9 THR HA H 14.784 3.776 -2.647 1.00 . A A . 9 THR HA 1 1 4 1650 1 1 9 THR HB H 16.096 3.304 -4.567 1.00 . A A . 9 THR HB 1 1 4 1651 1 1 9 THR HG1 H 15.859 6.132 -4.639 1.00 . A A . 9 THR HG1 1 1 4 1652 1 1 9 THR HG21 H 15.193 3.430 -6.600 1.00 . A A . 9 THR HG21 1 1 4 1653 1 1 9 THR HG22 H 15.334 5.185 -6.515 1.00 . A A . 9 THR HG22 1 1 4 1654 1 1 9 THR HG23 H 13.851 4.393 -5.986 1.00 . A A . 9 THR HG23 1 1 4 1655 1 1 9 THR N N 13.372 3.079 -3.983 1.00 . A A . 9 THR N 1 1 4 1656 1 1 9 THR O O 13.957 6.373 -4.190 1.00 . A A . 9 THR O 1 1 4 1657 1 1 9 THR OG1 O 16.304 5.336 -4.337 1.00 . A A . 9 THR OG1 1 1 4 1658 1 1 10 CYS C C 13.071 8.024 -2.445 1.00 . A A . 10 CYS C 1 1 4 1659 1 1 10 CYS CA C 12.178 6.831 -2.114 1.00 . A A . 10 CYS CA 1 1 4 1660 1 1 10 CYS CB C 11.755 6.891 -0.645 1.00 . A A . 10 CYS CB 1 1 4 1661 1 1 10 CYS H H 12.706 4.805 -1.807 1.00 . A A . 10 CYS H 1 1 4 1662 1 1 10 CYS HA H 11.298 6.873 -2.737 1.00 . A A . 10 CYS HA 1 1 4 1663 1 1 10 CYS HB2 H 11.059 7.708 -0.512 1.00 . A A . 10 CYS HB2 1 1 4 1664 1 1 10 CYS HB3 H 11.268 5.964 -0.381 1.00 . A A . 10 CYS HB3 1 1 4 1665 1 1 10 CYS N N 12.866 5.577 -2.391 1.00 . A A . 10 CYS N 1 1 4 1666 1 1 10 CYS O O 14.276 8.001 -2.192 1.00 . A A . 10 CYS O 1 1 4 1667 1 1 10 CYS SG S 13.134 7.146 0.518 1.00 . A A . 10 CYS SG 1 1 4 1668 1 1 11 ASP C C 12.267 11.350 -3.891 1.00 . A A . 11 ASP C 1 1 4 1669 1 1 11 ASP CA C 13.211 10.268 -3.378 1.00 . A A . 11 ASP CA 1 1 4 1670 1 1 11 ASP CB C 14.260 9.945 -4.440 1.00 . A A . 11 ASP CB 1 1 4 1671 1 1 11 ASP CG C 15.462 10.866 -4.368 1.00 . A A . 11 ASP CG 1 1 4 1672 1 1 11 ASP H H 11.507 9.024 -3.189 1.00 . A A . 11 ASP H 1 1 4 1673 1 1 11 ASP HA H 13.709 10.634 -2.492 1.00 . A A . 11 ASP HA 1 1 4 1674 1 1 11 ASP HB2 H 14.602 8.928 -4.303 1.00 . A A . 11 ASP HB2 1 1 4 1675 1 1 11 ASP HB3 H 13.814 10.040 -5.419 1.00 . A A . 11 ASP HB3 1 1 4 1676 1 1 11 ASP N N 12.471 9.066 -3.012 1.00 . A A . 11 ASP N 1 1 4 1677 1 1 11 ASP O O 12.261 12.474 -3.388 1.00 . A A . 11 ASP O 1 1 4 1678 1 1 11 ASP OD1 O 16.085 11.113 -5.421 1.00 . A A . 11 ASP OD1 1 1 4 1679 1 1 11 ASP OD2 O 15.778 11.341 -3.257 1.00 . A A . 11 ASP OD2 1 1 4 1680 1 1 12 SER C C 9.774 11.313 -6.648 1.00 . A A . 12 SER C 1 1 4 1681 1 1 12 SER CA C 10.526 11.948 -5.482 1.00 . A A . 12 SER CA 1 1 4 1682 1 1 12 SER CB C 11.256 13.206 -5.959 1.00 . A A . 12 SER CB 1 1 4 1683 1 1 12 SER H H 11.521 10.094 -5.256 1.00 . A A . 12 SER H 1 1 4 1684 1 1 12 SER HA H 9.813 12.224 -4.718 1.00 . A A . 12 SER HA 1 1 4 1685 1 1 12 SER HB2 H 12.312 13.001 -6.028 1.00 . A A . 12 SER HB2 1 1 4 1686 1 1 12 SER HB3 H 10.879 13.492 -6.930 1.00 . A A . 12 SER HB3 1 1 4 1687 1 1 12 SER HG H 11.799 14.331 -4.448 1.00 . A A . 12 SER HG 1 1 4 1688 1 1 12 SER N N 11.471 11.005 -4.898 1.00 . A A . 12 SER N 1 1 4 1689 1 1 12 SER O O 8.606 11.621 -6.893 1.00 . A A . 12 SER O 1 1 4 1690 1 1 12 SER OG O 11.058 14.281 -5.058 1.00 . A A . 12 SER OG 1 1 4 1691 1 1 13 LYS C C 9.262 8.397 -8.087 1.00 . A A . 13 LYS C 1 1 4 1692 1 1 13 LYS CA C 9.848 9.740 -8.505 1.00 . A A . 13 LYS CA 1 1 4 1693 1 1 13 LYS CB C 10.889 9.533 -9.609 1.00 . A A . 13 LYS CB 1 1 4 1694 1 1 13 LYS CD C 10.635 10.360 -11.967 1.00 . A A . 13 LYS CD 1 1 4 1695 1 1 13 LYS CE C 9.204 10.770 -12.271 1.00 . A A . 13 LYS CE 1 1 4 1696 1 1 13 LYS CG C 11.029 10.722 -10.544 1.00 . A A . 13 LYS CG 1 1 4 1697 1 1 13 LYS H H 11.379 10.219 -7.122 1.00 . A A . 13 LYS H 1 1 4 1698 1 1 13 LYS HA H 9.054 10.363 -8.883 1.00 . A A . 13 LYS HA 1 1 4 1699 1 1 13 LYS HB2 H 11.849 9.346 -9.151 1.00 . A A . 13 LYS HB2 1 1 4 1700 1 1 13 LYS HB3 H 10.605 8.671 -10.195 1.00 . A A . 13 LYS HB3 1 1 4 1701 1 1 13 LYS HD2 H 11.297 10.870 -12.653 1.00 . A A . 13 LYS HD2 1 1 4 1702 1 1 13 LYS HD3 H 10.733 9.291 -12.097 1.00 . A A . 13 LYS HD3 1 1 4 1703 1 1 13 LYS HE2 H 8.737 9.992 -12.854 1.00 . A A . 13 LYS HE2 1 1 4 1704 1 1 13 LYS HE3 H 8.673 10.889 -11.340 1.00 . A A . 13 LYS HE3 1 1 4 1705 1 1 13 LYS HG2 H 10.388 11.519 -10.197 1.00 . A A . 13 LYS HG2 1 1 4 1706 1 1 13 LYS HG3 H 12.058 11.054 -10.536 1.00 . A A . 13 LYS HG3 1 1 4 1707 1 1 13 LYS HZ1 H 8.152 12.296 -13.234 1.00 . A A . 13 LYS HZ1 1 1 4 1708 1 1 13 LYS HZ2 H 9.655 11.955 -13.930 1.00 . A A . 13 LYS HZ2 1 1 4 1709 1 1 13 LYS HZ3 H 9.573 12.816 -12.475 1.00 . A A . 13 LYS HZ3 1 1 4 1710 1 1 13 LYS N N 10.450 10.422 -7.366 1.00 . A A . 13 LYS N 1 1 4 1711 1 1 13 LYS NZ N 9.142 12.049 -13.031 1.00 . A A . 13 LYS NZ 1 1 4 1712 1 1 13 LYS O O 9.057 7.512 -8.918 1.00 . A A . 13 LYS O 1 1 4 1713 1 1 14 ARG C C 6.944 7.188 -5.944 1.00 . A A . 14 ARG C 1 1 4 1714 1 1 14 ARG CA C 8.426 7.015 -6.264 1.00 . A A . 14 ARG CA 1 1 4 1715 1 1 14 ARG CB C 9.182 6.580 -5.010 1.00 . A A . 14 ARG CB 1 1 4 1716 1 1 14 ARG CD C 10.673 5.029 -6.311 1.00 . A A . 14 ARG CD 1 1 4 1717 1 1 14 ARG CG C 10.614 6.147 -5.281 1.00 . A A . 14 ARG CG 1 1 4 1718 1 1 14 ARG CZ C 11.859 6.175 -8.135 1.00 . A A . 14 ARG CZ 1 1 4 1719 1 1 14 ARG H H 9.174 8.993 -6.181 1.00 . A A . 14 ARG H 1 1 4 1720 1 1 14 ARG HA H 8.532 6.252 -7.021 1.00 . A A . 14 ARG HA 1 1 4 1721 1 1 14 ARG HB2 H 9.205 7.404 -4.312 1.00 . A A . 14 ARG HB2 1 1 4 1722 1 1 14 ARG HB3 H 8.658 5.751 -4.557 1.00 . A A . 14 ARG HB3 1 1 4 1723 1 1 14 ARG HD2 H 11.530 4.409 -6.102 1.00 . A A . 14 ARG HD2 1 1 4 1724 1 1 14 ARG HD3 H 9.773 4.440 -6.233 1.00 . A A . 14 ARG HD3 1 1 4 1725 1 1 14 ARG HE H 10.018 5.419 -8.271 1.00 . A A . 14 ARG HE 1 1 4 1726 1 1 14 ARG HG2 H 11.172 6.993 -5.652 1.00 . A A . 14 ARG HG2 1 1 4 1727 1 1 14 ARG HG3 H 11.055 5.797 -4.359 1.00 . A A . 14 ARG HG3 1 1 4 1728 1 1 14 ARG HH11 H 12.894 6.029 -6.406 1.00 . A A . 14 ARG HH11 1 1 4 1729 1 1 14 ARG HH12 H 13.721 6.834 -7.699 1.00 . A A . 14 ARG HH12 1 1 4 1730 1 1 14 ARG HH21 H 11.096 6.477 -9.982 1.00 . A A . 14 ARG HH21 1 1 4 1731 1 1 14 ARG HH22 H 12.696 7.087 -9.733 1.00 . A A . 14 ARG HH22 1 1 4 1732 1 1 14 ARG N N 8.990 8.250 -6.794 1.00 . A A . 14 ARG N 1 1 4 1733 1 1 14 ARG NE N 10.785 5.546 -7.672 1.00 . A A . 14 ARG NE 1 1 4 1734 1 1 14 ARG NH1 N 12.911 6.362 -7.349 1.00 . A A . 14 ARG NH1 1 1 4 1735 1 1 14 ARG NH2 N 11.885 6.616 -9.385 1.00 . A A . 14 ARG NH2 1 1 4 1736 1 1 14 ARG O O 6.364 8.243 -6.192 1.00 . A A . 14 ARG O 1 1 4 1737 1 1 15 ALA C C 4.668 5.439 -3.729 1.00 . A A . 15 ALA C 1 1 4 1738 1 1 15 ALA CA C 4.924 6.176 -5.039 1.00 . A A . 15 ALA CA 1 1 4 1739 1 1 15 ALA CB C 4.083 5.579 -6.157 1.00 . A A . 15 ALA CB 1 1 4 1740 1 1 15 ALA H H 6.852 5.325 -5.221 1.00 . A A . 15 ALA H 1 1 4 1741 1 1 15 ALA HA H 4.636 7.212 -4.919 1.00 . A A . 15 ALA HA 1 1 4 1742 1 1 15 ALA HB1 H 3.774 4.582 -5.878 1.00 . A A . 15 ALA HB1 1 1 4 1743 1 1 15 ALA HB2 H 3.211 6.196 -6.321 1.00 . A A . 15 ALA HB2 1 1 4 1744 1 1 15 ALA HB3 H 4.669 5.536 -7.062 1.00 . A A . 15 ALA HB3 1 1 4 1745 1 1 15 ALA N N 6.338 6.140 -5.394 1.00 . A A . 15 ALA N 1 1 4 1746 1 1 15 ALA O O 3.646 4.772 -3.570 1.00 . A A . 15 ALA O 1 1 4 1747 1 1 16 CYS C C 4.220 5.362 -0.774 1.00 . A A . 16 CYS C 1 1 4 1748 1 1 16 CYS CA C 5.481 4.904 -1.498 1.00 . A A . 16 CYS CA 1 1 4 1749 1 1 16 CYS CB C 6.713 5.196 -0.637 1.00 . A A . 16 CYS CB 1 1 4 1750 1 1 16 CYS H H 6.398 6.106 -2.980 1.00 . A A . 16 CYS H 1 1 4 1751 1 1 16 CYS HA H 5.417 3.839 -1.670 1.00 . A A . 16 CYS HA 1 1 4 1752 1 1 16 CYS HB2 H 6.908 6.258 -0.648 1.00 . A A . 16 CYS HB2 1 1 4 1753 1 1 16 CYS HB3 H 6.514 4.882 0.378 1.00 . A A . 16 CYS HB3 1 1 4 1754 1 1 16 CYS N N 5.604 5.561 -2.793 1.00 . A A . 16 CYS N 1 1 4 1755 1 1 16 CYS O O 3.381 6.058 -1.346 1.00 . A A . 16 CYS O 1 1 4 1756 1 1 16 CYS SG S 8.227 4.349 -1.194 1.00 . A A . 16 CYS SG 1 1 4 1757 1 1 17 CYS C C 3.326 6.326 2.390 1.00 . A A . 17 CYS C 1 1 4 1758 1 1 17 CYS CA C 2.936 5.338 1.295 1.00 . A A . 17 CYS CA 1 1 4 1759 1 1 17 CYS CB C 2.301 4.092 1.917 1.00 . A A . 17 CYS CB 1 1 4 1760 1 1 17 CYS H H 4.797 4.414 0.891 1.00 . A A . 17 CYS H 1 1 4 1761 1 1 17 CYS HA H 2.214 5.809 0.643 1.00 . A A . 17 CYS HA 1 1 4 1762 1 1 17 CYS HB2 H 1.979 4.326 2.921 1.00 . A A . 17 CYS HB2 1 1 4 1763 1 1 17 CYS HB3 H 1.445 3.800 1.327 1.00 . A A . 17 CYS HB3 1 1 4 1764 1 1 17 CYS N N 4.093 4.969 0.489 1.00 . A A . 17 CYS N 1 1 4 1765 1 1 17 CYS O O 3.151 7.534 2.242 1.00 . A A . 17 CYS O 1 1 4 1766 1 1 17 CYS SG S 3.422 2.659 2.017 1.00 . A A . 17 CYS SG 1 1 4 1767 1 1 18 GLU C C 5.687 6.274 5.061 1.00 . A A . 18 GLU C 1 1 4 1768 1 1 18 GLU CA C 4.273 6.635 4.611 1.00 . A A . 18 GLU CA 1 1 4 1769 1 1 18 GLU CB C 3.299 6.479 5.780 1.00 . A A . 18 GLU CB 1 1 4 1770 1 1 18 GLU CD C 2.752 7.458 8.043 1.00 . A A . 18 GLU CD 1 1 4 1771 1 1 18 GLU CG C 3.130 7.745 6.604 1.00 . A A . 18 GLU CG 1 1 4 1772 1 1 18 GLU H H 3.973 4.828 3.549 1.00 . A A . 18 GLU H 1 1 4 1773 1 1 18 GLU HA H 4.266 7.662 4.281 1.00 . A A . 18 GLU HA 1 1 4 1774 1 1 18 GLU HB2 H 2.331 6.197 5.392 1.00 . A A . 18 GLU HB2 1 1 4 1775 1 1 18 GLU HB3 H 3.658 5.697 6.431 1.00 . A A . 18 GLU HB3 1 1 4 1776 1 1 18 GLU HG2 H 4.063 8.291 6.595 1.00 . A A . 18 GLU HG2 1 1 4 1777 1 1 18 GLU HG3 H 2.356 8.351 6.157 1.00 . A A . 18 GLU HG3 1 1 4 1778 1 1 18 GLU N N 3.858 5.800 3.490 1.00 . A A . 18 GLU N 1 1 4 1779 1 1 18 GLU O O 5.979 6.236 6.257 1.00 . A A . 18 GLU O 1 1 4 1780 1 1 18 GLU OE1 O 3.643 7.524 8.915 1.00 . A A . 18 GLU OE1 1 1 4 1781 1 1 18 GLU OE2 O 1.563 7.168 8.298 1.00 . A A . 18 GLU OE2 1 1 4 1782 1 1 19 GLY C C 8.925 6.248 3.429 1.00 . A A . 19 GLY C 1 1 4 1783 1 1 19 GLY CA C 7.933 5.659 4.412 1.00 . A A . 19 GLY CA 1 1 4 1784 1 1 19 GLY H H 6.273 6.060 3.160 1.00 . A A . 19 GLY H 1 1 4 1785 1 1 19 GLY HA2 H 8.167 6.019 5.403 1.00 . A A . 19 GLY HA2 1 1 4 1786 1 1 19 GLY HA3 H 8.027 4.583 4.401 1.00 . A A . 19 GLY HA3 1 1 4 1787 1 1 19 GLY N N 6.562 6.013 4.095 1.00 . A A . 19 GLY N 1 1 4 1788 1 1 19 GLY O O 10.115 5.932 3.474 1.00 . A A . 19 GLY O 1 1 4 1789 1 1 20 LEU C C 10.202 8.774 2.177 1.00 . A A . 20 LEU C 1 1 4 1790 1 1 20 LEU CA C 9.288 7.735 1.537 1.00 . A A . 20 LEU CA 1 1 4 1791 1 1 20 LEU CB C 8.432 8.391 0.452 1.00 . A A . 20 LEU CB 1 1 4 1792 1 1 20 LEU CD1 C 6.038 8.003 1.080 1.00 . A A . 20 LEU CD1 1 1 4 1793 1 1 20 LEU CD2 C 7.358 9.788 2.233 1.00 . A A . 20 LEU CD2 1 1 4 1794 1 1 20 LEU CG C 7.135 9.044 0.925 1.00 . A A . 20 LEU CG 1 1 4 1795 1 1 20 LEU H H 7.479 7.312 2.551 1.00 . A A . 20 LEU H 1 1 4 1796 1 1 20 LEU HA H 9.898 6.965 1.085 1.00 . A A . 20 LEU HA 1 1 4 1797 1 1 20 LEU HB2 H 9.032 9.152 -0.026 1.00 . A A . 20 LEU HB2 1 1 4 1798 1 1 20 LEU HB3 H 8.177 7.629 -0.273 1.00 . A A . 20 LEU HB3 1 1 4 1799 1 1 20 LEU HD11 H 6.477 7.016 1.092 1.00 . A A . 20 LEU HD11 1 1 4 1800 1 1 20 LEU HD12 H 5.347 8.081 0.254 1.00 . A A . 20 LEU HD12 1 1 4 1801 1 1 20 LEU HD13 H 5.510 8.173 2.008 1.00 . A A . 20 LEU HD13 1 1 4 1802 1 1 20 LEU HD21 H 8.322 10.273 2.211 1.00 . A A . 20 LEU HD21 1 1 4 1803 1 1 20 LEU HD22 H 7.328 9.087 3.056 1.00 . A A . 20 LEU HD22 1 1 4 1804 1 1 20 LEU HD23 H 6.584 10.530 2.362 1.00 . A A . 20 LEU HD23 1 1 4 1805 1 1 20 LEU HG H 6.811 9.761 0.182 1.00 . A A . 20 LEU HG 1 1 4 1806 1 1 20 LEU N N 8.436 7.102 2.537 1.00 . A A . 20 LEU N 1 1 4 1807 1 1 20 LEU O O 11.069 9.345 1.516 1.00 . A A . 20 LEU O 1 1 4 1808 1 1 21 ARG C C 12.188 9.413 4.520 1.00 . A A . 21 ARG C 1 1 4 1809 1 1 21 ARG CA C 10.809 9.982 4.200 1.00 . A A . 21 ARG CA 1 1 4 1810 1 1 21 ARG CB C 10.103 10.393 5.495 1.00 . A A . 21 ARG CB 1 1 4 1811 1 1 21 ARG CD C 10.174 9.621 7.885 1.00 . A A . 21 ARG CD 1 1 4 1812 1 1 21 ARG CG C 9.859 9.235 6.449 1.00 . A A . 21 ARG CG 1 1 4 1813 1 1 21 ARG CZ C 9.799 11.525 9.392 1.00 . A A . 21 ARG CZ 1 1 4 1814 1 1 21 ARG H H 9.296 8.526 3.942 1.00 . A A . 21 ARG H 1 1 4 1815 1 1 21 ARG HA H 10.928 10.855 3.574 1.00 . A A . 21 ARG HA 1 1 4 1816 1 1 21 ARG HB2 H 10.709 11.127 6.005 1.00 . A A . 21 ARG HB2 1 1 4 1817 1 1 21 ARG HB3 H 9.150 10.833 5.246 1.00 . A A . 21 ARG HB3 1 1 4 1818 1 1 21 ARG HD2 H 9.837 8.829 8.539 1.00 . A A . 21 ARG HD2 1 1 4 1819 1 1 21 ARG HD3 H 11.243 9.739 7.986 1.00 . A A . 21 ARG HD3 1 1 4 1820 1 1 21 ARG HE H 8.837 11.227 7.670 1.00 . A A . 21 ARG HE 1 1 4 1821 1 1 21 ARG HG2 H 8.821 8.942 6.386 1.00 . A A . 21 ARG HG2 1 1 4 1822 1 1 21 ARG HG3 H 10.487 8.405 6.162 1.00 . A A . 21 ARG HG3 1 1 4 1823 1 1 21 ARG HH11 H 11.201 10.211 10.015 1.00 . A A . 21 ARG HH11 1 1 4 1824 1 1 21 ARG HH12 H 10.927 11.560 11.069 1.00 . A A . 21 ARG HH12 1 1 4 1825 1 1 21 ARG HH21 H 8.469 13.008 9.049 1.00 . A A . 21 ARG HH21 1 1 4 1826 1 1 21 ARG HH22 H 9.372 13.149 10.518 1.00 . A A . 21 ARG HH22 1 1 4 1827 1 1 21 ARG N N 10.003 9.013 3.470 1.00 . A A . 21 ARG N 1 1 4 1828 1 1 21 ARG NE N 9.519 10.866 8.274 1.00 . A A . 21 ARG NE 1 1 4 1829 1 1 21 ARG NH1 N 10.717 11.061 10.228 1.00 . A A . 21 ARG NH1 1 1 4 1830 1 1 21 ARG NH2 N 9.161 12.654 9.676 1.00 . A A . 21 ARG NH2 1 1 4 1831 1 1 21 ARG O O 12.620 9.410 5.673 1.00 . A A . 21 ARG O 1 1 4 1832 1 1 22 CYS C C 15.098 8.696 2.471 1.00 . A A . 22 CYS C 1 1 4 1833 1 1 22 CYS CA C 14.206 8.356 3.659 1.00 . A A . 22 CYS CA 1 1 4 1834 1 1 22 CYS CB C 14.112 6.839 3.822 1.00 . A A . 22 CYS CB 1 1 4 1835 1 1 22 CYS H H 12.479 8.960 2.593 1.00 . A A . 22 CYS H 1 1 4 1836 1 1 22 CYS HA H 14.639 8.779 4.552 1.00 . A A . 22 CYS HA 1 1 4 1837 1 1 22 CYS HB2 H 15.069 6.458 4.147 1.00 . A A . 22 CYS HB2 1 1 4 1838 1 1 22 CYS HB3 H 13.368 6.610 4.571 1.00 . A A . 22 CYS HB3 1 1 4 1839 1 1 22 CYS N N 12.875 8.929 3.490 1.00 . A A . 22 CYS N 1 1 4 1840 1 1 22 CYS O O 14.862 9.673 1.760 1.00 . A A . 22 CYS O 1 1 4 1841 1 1 22 CYS SG S 13.654 5.953 2.297 1.00 . A A . 22 CYS SG 1 1 4 1842 1 1 23 LYS C C 16.728 7.181 -0.018 1.00 . A A . 23 LYS C 1 1 4 1843 1 1 23 LYS CA C 17.060 8.095 1.157 1.00 . A A . 23 LYS CA 1 1 4 1844 1 1 23 LYS CB C 18.497 7.849 1.621 1.00 . A A . 23 LYS CB 1 1 4 1845 1 1 23 LYS CD C 20.403 9.464 1.885 1.00 . A A . 23 LYS CD 1 1 4 1846 1 1 23 LYS CE C 19.801 10.815 2.245 1.00 . A A . 23 LYS CE 1 1 4 1847 1 1 23 LYS CG C 19.523 8.708 0.902 1.00 . A A . 23 LYS CG 1 1 4 1848 1 1 23 LYS H H 16.266 7.121 2.862 1.00 . A A . 23 LYS H 1 1 4 1849 1 1 23 LYS HA H 16.964 9.122 0.835 1.00 . A A . 23 LYS HA 1 1 4 1850 1 1 23 LYS HB2 H 18.562 8.057 2.679 1.00 . A A . 23 LYS HB2 1 1 4 1851 1 1 23 LYS HB3 H 18.744 6.811 1.450 1.00 . A A . 23 LYS HB3 1 1 4 1852 1 1 23 LYS HD2 H 20.507 8.878 2.784 1.00 . A A . 23 LYS HD2 1 1 4 1853 1 1 23 LYS HD3 H 21.374 9.620 1.438 1.00 . A A . 23 LYS HD3 1 1 4 1854 1 1 23 LYS HE2 H 20.435 11.593 1.848 1.00 . A A . 23 LYS HE2 1 1 4 1855 1 1 23 LYS HE3 H 18.820 10.887 1.802 1.00 . A A . 23 LYS HE3 1 1 4 1856 1 1 23 LYS HG2 H 20.147 8.072 0.294 1.00 . A A . 23 LYS HG2 1 1 4 1857 1 1 23 LYS HG3 H 19.007 9.420 0.274 1.00 . A A . 23 LYS HG3 1 1 4 1858 1 1 23 LYS HZ1 H 20.447 11.604 4.068 1.00 . A A . 23 LYS HZ1 1 1 4 1859 1 1 23 LYS HZ2 H 19.744 10.072 4.197 1.00 . A A . 23 LYS HZ2 1 1 4 1860 1 1 23 LYS HZ3 H 18.767 11.431 3.953 1.00 . A A . 23 LYS HZ3 1 1 4 1861 1 1 23 LYS N N 16.129 7.884 2.260 1.00 . A A . 23 LYS N 1 1 4 1862 1 1 23 LYS NZ N 19.682 10.994 3.718 1.00 . A A . 23 LYS NZ 1 1 4 1863 1 1 23 LYS O O 16.615 7.633 -1.158 1.00 . A A . 23 LYS O 1 1 4 1864 1 1 24 LEU C C 15.048 4.069 -0.362 1.00 . A A . 24 LEU C 1 1 4 1865 1 1 24 LEU CA C 16.253 4.914 -0.764 1.00 . A A . 24 LEU CA 1 1 4 1866 1 1 24 LEU CB C 17.459 4.008 -1.029 1.00 . A A . 24 LEU CB 1 1 4 1867 1 1 24 LEU CD1 C 18.788 5.906 -1.985 1.00 . A A . 24 LEU CD1 1 1 4 1868 1 1 24 LEU CD2 C 19.628 3.561 -2.203 1.00 . A A . 24 LEU CD2 1 1 4 1869 1 1 24 LEU CG C 18.393 4.449 -2.156 1.00 . A A . 24 LEU CG 1 1 4 1870 1 1 24 LEU H H 16.675 5.592 1.194 1.00 . A A . 24 LEU H 1 1 4 1871 1 1 24 LEU HA H 16.013 5.452 -1.670 1.00 . A A . 24 LEU HA 1 1 4 1872 1 1 24 LEU HB2 H 18.039 3.957 -0.121 1.00 . A A . 24 LEU HB2 1 1 4 1873 1 1 24 LEU HB3 H 17.084 3.024 -1.272 1.00 . A A . 24 LEU HB3 1 1 4 1874 1 1 24 LEU HD11 H 18.788 6.158 -0.935 1.00 . A A . 24 LEU HD11 1 1 4 1875 1 1 24 LEU HD12 H 18.082 6.535 -2.507 1.00 . A A . 24 LEU HD12 1 1 4 1876 1 1 24 LEU HD13 H 19.776 6.062 -2.393 1.00 . A A . 24 LEU HD13 1 1 4 1877 1 1 24 LEU HD21 H 20.169 3.743 -3.119 1.00 . A A . 24 LEU HD21 1 1 4 1878 1 1 24 LEU HD22 H 19.328 2.524 -2.161 1.00 . A A . 24 LEU HD22 1 1 4 1879 1 1 24 LEU HD23 H 20.264 3.786 -1.359 1.00 . A A . 24 LEU HD23 1 1 4 1880 1 1 24 LEU HG H 17.876 4.352 -3.102 1.00 . A A . 24 LEU HG 1 1 4 1881 1 1 24 LEU N N 16.573 5.894 0.269 1.00 . A A . 24 LEU N 1 1 4 1882 1 1 24 LEU O O 13.904 4.452 -0.598 1.00 . A A . 24 LEU O 1 1 4 1883 1 1 25 TRP C C 13.362 2.701 1.725 1.00 . A A . 25 TRP C 1 1 4 1884 1 1 25 TRP CA C 14.254 2.023 0.690 1.00 . A A . 25 TRP CA 1 1 4 1885 1 1 25 TRP CB C 14.850 0.742 1.273 1.00 . A A . 25 TRP CB 1 1 4 1886 1 1 25 TRP CD1 C 13.163 -0.116 3.003 1.00 . A A . 25 TRP CD1 1 1 4 1887 1 1 25 TRP CD2 C 15.065 0.670 3.884 1.00 . A A . 25 TRP CD2 1 1 4 1888 1 1 25 TRP CE2 C 14.233 0.233 4.930 1.00 . A A . 25 TRP CE2 1 1 4 1889 1 1 25 TRP CE3 C 16.321 1.202 4.197 1.00 . A A . 25 TRP CE3 1 1 4 1890 1 1 25 TRP CG C 14.364 0.436 2.657 1.00 . A A . 25 TRP CG 1 1 4 1891 1 1 25 TRP CH2 C 15.845 0.841 6.547 1.00 . A A . 25 TRP CH2 1 1 4 1892 1 1 25 TRP CZ2 C 14.612 0.315 6.268 1.00 . A A . 25 TRP CZ2 1 1 4 1893 1 1 25 TRP CZ3 C 16.695 1.282 5.525 1.00 . A A . 25 TRP CZ3 1 1 4 1894 1 1 25 TRP H H 16.251 2.670 0.410 1.00 . A A . 25 TRP H 1 1 4 1895 1 1 25 TRP HA H 13.656 1.772 -0.173 1.00 . A A . 25 TRP HA 1 1 4 1896 1 1 25 TRP HB2 H 14.589 -0.091 0.638 1.00 . A A . 25 TRP HB2 1 1 4 1897 1 1 25 TRP HB3 H 15.924 0.837 1.311 1.00 . A A . 25 TRP HB3 1 1 4 1898 1 1 25 TRP HD1 H 12.402 -0.406 2.294 1.00 . A A . 25 TRP HD1 1 1 4 1899 1 1 25 TRP HE1 H 12.313 -0.611 4.858 1.00 . A A . 25 TRP HE1 1 1 4 1900 1 1 25 TRP HE3 H 16.988 1.547 3.424 1.00 . A A . 25 TRP HE3 1 1 4 1901 1 1 25 TRP HH2 H 16.180 0.924 7.569 1.00 . A A . 25 TRP HH2 1 1 4 1902 1 1 25 TRP HZ2 H 13.969 -0.022 7.067 1.00 . A A . 25 TRP HZ2 1 1 4 1903 1 1 25 TRP HZ3 H 17.660 1.692 5.786 1.00 . A A . 25 TRP HZ3 1 1 4 1904 1 1 25 TRP N N 15.316 2.921 0.251 1.00 . A A . 25 TRP N 1 1 4 1905 1 1 25 TRP NE1 N 13.078 -0.241 4.367 1.00 . A A . 25 TRP NE1 1 1 4 1906 1 1 25 TRP O O 13.792 2.972 2.847 1.00 . A A . 25 TRP O 1 1 4 1907 1 1 26 CYS C C 11.294 3.072 3.656 1.00 . A A . 26 CYS C 1 1 4 1908 1 1 26 CYS CA C 11.167 3.618 2.237 1.00 . A A . 26 CYS CA 1 1 4 1909 1 1 26 CYS CB C 9.739 3.417 1.727 1.00 . A A . 26 CYS CB 1 1 4 1910 1 1 26 CYS H H 11.836 2.733 0.435 1.00 . A A . 26 CYS H 1 1 4 1911 1 1 26 CYS HA H 11.387 4.676 2.250 1.00 . A A . 26 CYS HA 1 1 4 1912 1 1 26 CYS HB2 H 9.610 2.383 1.441 1.00 . A A . 26 CYS HB2 1 1 4 1913 1 1 26 CYS HB3 H 9.045 3.654 2.521 1.00 . A A . 26 CYS HB3 1 1 4 1914 1 1 26 CYS N N 12.120 2.973 1.341 1.00 . A A . 26 CYS N 1 1 4 1915 1 1 26 CYS O O 11.355 1.858 3.860 1.00 . A A . 26 CYS O 1 1 4 1916 1 1 26 CYS SG S 9.310 4.446 0.287 1.00 . A A . 26 CYS SG 1 1 4 1917 1 1 27 ARG C C 10.090 3.273 6.629 1.00 . A A . 27 ARG C 1 1 4 1918 1 1 27 ARG CA C 11.459 3.581 6.028 1.00 . A A . 27 ARG CA 1 1 4 1919 1 1 27 ARG CB C 12.144 4.688 6.834 1.00 . A A . 27 ARG CB 1 1 4 1920 1 1 27 ARG CD C 14.255 6.033 7.051 1.00 . A A . 27 ARG CD 1 1 4 1921 1 1 27 ARG CG C 13.659 4.673 6.720 1.00 . A A . 27 ARG CG 1 1 4 1922 1 1 27 ARG CZ C 15.146 7.171 9.040 1.00 . A A . 27 ARG CZ 1 1 4 1923 1 1 27 ARG H H 11.286 4.925 4.404 1.00 . A A . 27 ARG H 1 1 4 1924 1 1 27 ARG HA H 12.065 2.689 6.072 1.00 . A A . 27 ARG HA 1 1 4 1925 1 1 27 ARG HB2 H 11.787 5.646 6.483 1.00 . A A . 27 ARG HB2 1 1 4 1926 1 1 27 ARG HB3 H 11.881 4.574 7.875 1.00 . A A . 27 ARG HB3 1 1 4 1927 1 1 27 ARG HD2 H 15.236 6.099 6.610 1.00 . A A . 27 ARG HD2 1 1 4 1928 1 1 27 ARG HD3 H 13.620 6.801 6.634 1.00 . A A . 27 ARG HD3 1 1 4 1929 1 1 27 ARG HE H 13.840 5.666 9.079 1.00 . A A . 27 ARG HE 1 1 4 1930 1 1 27 ARG HG2 H 14.055 3.942 7.409 1.00 . A A . 27 ARG HG2 1 1 4 1931 1 1 27 ARG HG3 H 13.933 4.407 5.711 1.00 . A A . 27 ARG HG3 1 1 4 1932 1 1 27 ARG HH11 H 15.835 7.875 7.276 1.00 . A A . 27 ARG HH11 1 1 4 1933 1 1 27 ARG HH12 H 16.457 8.670 8.685 1.00 . A A . 27 ARG HH12 1 1 4 1934 1 1 27 ARG HH21 H 14.651 6.701 10.942 1.00 . A A . 27 ARG HH21 1 1 4 1935 1 1 27 ARG HH22 H 15.783 8.001 10.770 1.00 . A A . 27 ARG HH22 1 1 4 1936 1 1 27 ARG N N 11.337 3.972 4.630 1.00 . A A . 27 ARG N 1 1 4 1937 1 1 27 ARG NE N 14.369 6.244 8.491 1.00 . A A . 27 ARG NE 1 1 4 1938 1 1 27 ARG NH1 N 15.872 7.971 8.271 1.00 . A A . 27 ARG NH1 1 1 4 1939 1 1 27 ARG NH2 N 15.198 7.302 10.359 1.00 . A A . 27 ARG NH2 1 1 4 1940 1 1 27 ARG O O 9.863 3.476 7.823 1.00 . A A . 27 ARG O 1 1 4 1941 1 1 28 LYS C C 7.863 1.299 7.243 1.00 . A A . 28 LYS C 1 1 4 1942 1 1 28 LYS CA C 7.834 2.448 6.240 1.00 . A A . 28 LYS CA 1 1 4 1943 1 1 28 LYS CB C 6.956 2.072 5.043 1.00 . A A . 28 LYS CB 1 1 4 1944 1 1 28 LYS CD C 4.953 2.855 6.345 1.00 . A A . 28 LYS CD 1 1 4 1945 1 1 28 LYS CE C 3.603 2.158 6.293 1.00 . A A . 28 LYS CE 1 1 4 1946 1 1 28 LYS CG C 5.643 2.834 4.991 1.00 . A A . 28 LYS CG 1 1 4 1947 1 1 28 LYS H H 9.420 2.645 4.853 1.00 . A A . 28 LYS H 1 1 4 1948 1 1 28 LYS HA H 7.415 3.319 6.722 1.00 . A A . 28 LYS HA 1 1 4 1949 1 1 28 LYS HB2 H 7.502 2.275 4.134 1.00 . A A . 28 LYS HB2 1 1 4 1950 1 1 28 LYS HB3 H 6.733 1.016 5.093 1.00 . A A . 28 LYS HB3 1 1 4 1951 1 1 28 LYS HD2 H 5.579 2.350 7.065 1.00 . A A . 28 LYS HD2 1 1 4 1952 1 1 28 LYS HD3 H 4.808 3.881 6.650 1.00 . A A . 28 LYS HD3 1 1 4 1953 1 1 28 LYS HE2 H 3.694 1.271 5.685 1.00 . A A . 28 LYS HE2 1 1 4 1954 1 1 28 LYS HE3 H 3.318 1.877 7.297 1.00 . A A . 28 LYS HE3 1 1 4 1955 1 1 28 LYS HG2 H 5.838 3.850 4.682 1.00 . A A . 28 LYS HG2 1 1 4 1956 1 1 28 LYS HG3 H 4.989 2.358 4.271 1.00 . A A . 28 LYS HG3 1 1 4 1957 1 1 28 LYS HZ1 H 1.775 2.458 5.331 1.00 . A A . 28 LYS HZ1 1 1 4 1958 1 1 28 LYS HZ2 H 2.945 3.620 4.956 1.00 . A A . 28 LYS HZ2 1 1 4 1959 1 1 28 LYS HZ3 H 2.162 3.661 6.454 1.00 . A A . 28 LYS HZ3 1 1 4 1960 1 1 28 LYS N N 9.180 2.785 5.794 1.00 . A A . 28 LYS N 1 1 4 1961 1 1 28 LYS NZ N 2.547 3.035 5.719 1.00 . A A . 28 LYS NZ 1 1 4 1962 1 1 28 LYS O O 8.799 1.178 8.033 1.00 . A A . 28 LYS O 1 1 4 1963 1 1 29 ILE C C 7.972 -1.578 7.983 1.00 . A A . 29 ILE C 1 1 4 1964 1 1 29 ILE CA C 6.745 -0.682 8.106 1.00 . A A . 29 ILE CA 1 1 4 1965 1 1 29 ILE CB C 5.482 -1.517 7.834 1.00 . A A . 29 ILE CB 1 1 4 1966 1 1 29 ILE CD1 C 5.852 -1.496 5.315 1.00 . A A . 29 ILE CD1 1 1 4 1967 1 1 29 ILE CG1 C 5.655 -2.340 6.555 1.00 . A A . 29 ILE CG1 1 1 4 1968 1 1 29 ILE CG2 C 4.261 -0.617 7.729 1.00 . A A . 29 ILE CG2 1 1 4 1969 1 1 29 ILE H H 6.119 0.610 6.550 1.00 . A A . 29 ILE H 1 1 4 1970 1 1 29 ILE HA H 6.691 -0.303 9.117 1.00 . A A . 29 ILE HA 1 1 4 1971 1 1 29 ILE HB H 5.333 -2.189 8.666 1.00 . A A . 29 ILE HB 1 1 4 1972 1 1 29 ILE HD11 H 6.885 -1.181 5.254 1.00 . A A . 29 ILE HD11 1 1 4 1973 1 1 29 ILE HD12 H 5.597 -2.074 4.440 1.00 . A A . 29 ILE HD12 1 1 4 1974 1 1 29 ILE HD13 H 5.215 -0.624 5.368 1.00 . A A . 29 ILE HD13 1 1 4 1975 1 1 29 ILE HG12 H 6.515 -2.981 6.659 1.00 . A A . 29 ILE HG12 1 1 4 1976 1 1 29 ILE HG13 H 4.774 -2.948 6.404 1.00 . A A . 29 ILE HG13 1 1 4 1977 1 1 29 ILE HG21 H 4.552 0.406 7.922 1.00 . A A . 29 ILE HG21 1 1 4 1978 1 1 29 ILE HG22 H 3.843 -0.691 6.737 1.00 . A A . 29 ILE HG22 1 1 4 1979 1 1 29 ILE HG23 H 3.523 -0.924 8.454 1.00 . A A . 29 ILE HG23 1 1 4 1980 1 1 29 ILE N N 6.834 0.459 7.203 1.00 . A A . 29 ILE N 1 1 4 1981 1 1 29 ILE O O 8.253 -2.389 8.866 1.00 . A A . 29 ILE O 1 1 4 1982 1 1 30 ILE C C 9.550 -3.690 6.423 1.00 . A A . 30 ILE C 1 1 4 1983 1 1 30 ILE CA C 9.899 -2.221 6.642 1.00 . A A . 30 ILE CA 1 1 4 1984 1 1 30 ILE CB C 10.890 -2.110 7.816 1.00 . A A . 30 ILE CB 1 1 4 1985 1 1 30 ILE CD1 C 11.239 0.307 7.098 1.00 . A A . 30 ILE CD1 1 1 4 1986 1 1 30 ILE CG1 C 11.036 -0.650 8.251 1.00 . A A . 30 ILE CG1 1 1 4 1987 1 1 30 ILE CG2 C 12.240 -2.690 7.423 1.00 . A A . 30 ILE CG2 1 1 4 1988 1 1 30 ILE H H 8.424 -0.766 6.212 1.00 . A A . 30 ILE H 1 1 4 1989 1 1 30 ILE HA H 10.378 -1.840 5.753 1.00 . A A . 30 ILE HA 1 1 4 1990 1 1 30 ILE HB H 10.502 -2.687 8.640 1.00 . A A . 30 ILE HB 1 1 4 1991 1 1 30 ILE HD11 H 10.375 0.279 6.450 1.00 . A A . 30 ILE HD11 1 1 4 1992 1 1 30 ILE HD12 H 11.374 1.308 7.478 1.00 . A A . 30 ILE HD12 1 1 4 1993 1 1 30 ILE HD13 H 12.116 0.014 6.536 1.00 . A A . 30 ILE HD13 1 1 4 1994 1 1 30 ILE HG12 H 10.148 -0.348 8.780 1.00 . A A . 30 ILE HG12 1 1 4 1995 1 1 30 ILE HG13 H 11.888 -0.564 8.909 1.00 . A A . 30 ILE HG13 1 1 4 1996 1 1 30 ILE HG21 H 12.263 -2.864 6.358 1.00 . A A . 30 ILE HG21 1 1 4 1997 1 1 30 ILE HG22 H 13.023 -1.995 7.690 1.00 . A A . 30 ILE HG22 1 1 4 1998 1 1 30 ILE HG23 H 12.397 -3.623 7.943 1.00 . A A . 30 ILE HG23 1 1 4 1999 1 1 30 ILE N N 8.699 -1.427 6.880 1.00 . A A . 30 ILE N 1 1 4 2000 1 1 30 ILE O O 9.119 -4.380 7.347 1.00 . A A . 30 ILE O 1 1 5 2001 1 1 1 ARG C C 0.198 -4.710 3.263 1.00 . A A . 1 ARG C 1 1 5 2002 1 1 1 ARG CA C 1.262 -5.458 4.042 1.00 . A A . 1 ARG CA 1 1 5 2003 1 1 1 ARG H1 H 2.966 -6.446 3.265 1.00 . A A . 1 ARG H1 1 1 5 2004 1 1 1 ARG HA H 0.895 -6.446 4.276 1.00 . A A . 1 ARG HA 1 1 5 2005 1 1 1 ARG N N 2.504 -5.580 3.302 1.00 . A A . 1 ARG N 1 1 5 2006 1 1 1 ARG O O -0.386 -5.247 2.319 1.00 . A A . 1 ARG O 1 1 5 2007 1 1 2 TYR C C -0.413 -1.495 2.236 1.00 . A A . 2 TYR C 1 1 5 2008 1 1 2 TYR CA C -1.066 -2.645 2.995 1.00 . A A . 2 TYR CA 1 1 5 2009 1 1 2 TYR CB C -2.061 -2.099 4.016 1.00 . A A . 2 TYR CB 1 1 5 2010 1 1 2 TYR CD1 C -1.546 0.235 4.831 1.00 . A A . 2 TYR CD1 1 1 5 2011 1 1 2 TYR CD2 C -0.764 -1.607 6.126 1.00 . A A . 2 TYR CD2 1 1 5 2012 1 1 2 TYR CE1 C -0.984 1.116 5.736 1.00 . A A . 2 TYR CE1 1 1 5 2013 1 1 2 TYR CE2 C -0.200 -0.734 7.035 1.00 . A A . 2 TYR CE2 1 1 5 2014 1 1 2 TYR CG C -1.447 -1.140 5.010 1.00 . A A . 2 TYR CG 1 1 5 2015 1 1 2 TYR CZ C -0.312 0.627 6.836 1.00 . A A . 2 TYR CZ 1 1 5 2016 1 1 2 TYR H H 0.436 -3.095 4.417 1.00 . A A . 2 TYR H 1 1 5 2017 1 1 2 TYR HA H -1.593 -3.273 2.290 1.00 . A A . 2 TYR HA 1 1 5 2018 1 1 2 TYR HB2 H -2.850 -1.577 3.495 1.00 . A A . 2 TYR HB2 1 1 5 2019 1 1 2 TYR HB3 H -2.489 -2.923 4.571 1.00 . A A . 2 TYR HB3 1 1 5 2020 1 1 2 TYR HD1 H -2.074 0.615 3.967 1.00 . A A . 2 TYR HD1 1 1 5 2021 1 1 2 TYR HD2 H -0.677 -2.671 6.279 1.00 . A A . 2 TYR HD2 1 1 5 2022 1 1 2 TYR HE1 H -1.073 2.182 5.580 1.00 . A A . 2 TYR HE1 1 1 5 2023 1 1 2 TYR HE2 H 0.327 -1.117 7.898 1.00 . A A . 2 TYR HE2 1 1 5 2024 1 1 2 TYR HH H -0.387 1.696 8.432 1.00 . A A . 2 TYR HH 1 1 5 2025 1 1 2 TYR N N -0.059 -3.467 3.659 1.00 . A A . 2 TYR N 1 1 5 2026 1 1 2 TYR O O -1.019 -0.442 2.039 1.00 . A A . 2 TYR O 1 1 5 2027 1 1 2 TYR OH O 0.249 1.500 7.739 1.00 . A A . 2 TYR OH 1 1 5 2028 1 1 3 CYS C C 1.908 -1.173 -0.335 1.00 . A A . 3 CYS C 1 1 5 2029 1 1 3 CYS CA C 1.565 -0.686 1.071 1.00 . A A . 3 CYS CA 1 1 5 2030 1 1 3 CYS CB C 2.847 -0.310 1.819 1.00 . A A . 3 CYS CB 1 1 5 2031 1 1 3 CYS H H 1.260 -2.565 1.995 1.00 . A A . 3 CYS H 1 1 5 2032 1 1 3 CYS HA H 0.937 0.188 0.991 1.00 . A A . 3 CYS HA 1 1 5 2033 1 1 3 CYS HB2 H 3.164 -1.152 2.418 1.00 . A A . 3 CYS HB2 1 1 5 2034 1 1 3 CYS HB3 H 3.618 -0.076 1.102 1.00 . A A . 3 CYS HB3 1 1 5 2035 1 1 3 CYS N N 0.829 -1.704 1.809 1.00 . A A . 3 CYS N 1 1 5 2036 1 1 3 CYS O O 1.434 -2.222 -0.770 1.00 . A A . 3 CYS O 1 1 5 2037 1 1 3 CYS SG S 2.666 1.122 2.930 1.00 . A A . 3 CYS SG 1 1 5 2038 1 1 4 GLN C C 4.656 -0.895 -2.487 1.00 . A A . 4 GLN C 1 1 5 2039 1 1 4 GLN CA C 3.140 -0.759 -2.391 1.00 . A A . 4 GLN CA 1 1 5 2040 1 1 4 GLN CB C 2.648 0.296 -3.385 1.00 . A A . 4 GLN CB 1 1 5 2041 1 1 4 GLN CD C 0.188 0.230 -2.811 1.00 . A A . 4 GLN CD 1 1 5 2042 1 1 4 GLN CG C 1.442 1.080 -2.892 1.00 . A A . 4 GLN CG 1 1 5 2043 1 1 4 GLN H H 3.080 0.418 -0.633 1.00 . A A . 4 GLN H 1 1 5 2044 1 1 4 GLN HA H 2.688 -1.707 -2.634 1.00 . A A . 4 GLN HA 1 1 5 2045 1 1 4 GLN HB2 H 3.449 0.994 -3.578 1.00 . A A . 4 GLN HB2 1 1 5 2046 1 1 4 GLN HB3 H 2.377 -0.196 -4.308 1.00 . A A . 4 GLN HB3 1 1 5 2047 1 1 4 GLN HE21 H 0.407 -0.317 -4.708 1.00 . A A . 4 GLN HE21 1 1 5 2048 1 1 4 GLN HE22 H -0.964 -0.975 -3.890 1.00 . A A . 4 GLN HE22 1 1 5 2049 1 1 4 GLN HG2 H 1.659 1.469 -1.909 1.00 . A A . 4 GLN HG2 1 1 5 2050 1 1 4 GLN HG3 H 1.262 1.899 -3.570 1.00 . A A . 4 GLN HG3 1 1 5 2051 1 1 4 GLN N N 2.735 -0.404 -1.035 1.00 . A A . 4 GLN N 1 1 5 2052 1 1 4 GLN NE2 N -0.159 -0.420 -3.915 1.00 . A A . 4 GLN NE2 1 1 5 2053 1 1 4 GLN O O 5.356 0.053 -2.843 1.00 . A A . 4 GLN O 1 1 5 2054 1 1 4 GLN OE1 O -0.461 0.162 -1.767 1.00 . A A . 4 GLN OE1 1 1 5 2055 1 1 5 LYS C C 7.387 -1.107 -1.825 1.00 . A A . 5 LYS C 1 1 5 2056 1 1 5 LYS CA C 6.591 -2.348 -2.219 1.00 . A A . 5 LYS CA 1 1 5 2057 1 1 5 LYS CB C 6.999 -2.800 -3.622 1.00 . A A . 5 LYS CB 1 1 5 2058 1 1 5 LYS CD C 7.791 -4.849 -4.843 1.00 . A A . 5 LYS CD 1 1 5 2059 1 1 5 LYS CE C 8.459 -6.093 -4.280 1.00 . A A . 5 LYS CE 1 1 5 2060 1 1 5 LYS CG C 6.767 -4.282 -3.874 1.00 . A A . 5 LYS CG 1 1 5 2061 1 1 5 LYS H H 4.551 -2.802 -1.891 1.00 . A A . 5 LYS H 1 1 5 2062 1 1 5 LYS HA H 6.808 -3.138 -1.517 1.00 . A A . 5 LYS HA 1 1 5 2063 1 1 5 LYS HB2 H 6.429 -2.241 -4.349 1.00 . A A . 5 LYS HB2 1 1 5 2064 1 1 5 LYS HB3 H 8.049 -2.595 -3.765 1.00 . A A . 5 LYS HB3 1 1 5 2065 1 1 5 LYS HD2 H 7.293 -5.109 -5.766 1.00 . A A . 5 LYS HD2 1 1 5 2066 1 1 5 LYS HD3 H 8.543 -4.100 -5.037 1.00 . A A . 5 LYS HD3 1 1 5 2067 1 1 5 LYS HE2 H 7.730 -6.658 -3.720 1.00 . A A . 5 LYS HE2 1 1 5 2068 1 1 5 LYS HE3 H 8.825 -6.692 -5.102 1.00 . A A . 5 LYS HE3 1 1 5 2069 1 1 5 LYS HG2 H 6.841 -4.813 -2.937 1.00 . A A . 5 LYS HG2 1 1 5 2070 1 1 5 LYS HG3 H 5.778 -4.416 -4.290 1.00 . A A . 5 LYS HG3 1 1 5 2071 1 1 5 LYS HZ1 H 9.724 -4.719 -3.342 1.00 . A A . 5 LYS HZ1 1 1 5 2072 1 1 5 LYS HZ2 H 10.477 -6.178 -3.744 1.00 . A A . 5 LYS HZ2 1 1 5 2073 1 1 5 LYS HZ3 H 9.420 -6.108 -2.426 1.00 . A A . 5 LYS HZ3 1 1 5 2074 1 1 5 LYS N N 5.159 -2.083 -2.167 1.00 . A A . 5 LYS N 1 1 5 2075 1 1 5 LYS NZ N 9.600 -5.751 -3.386 1.00 . A A . 5 LYS NZ 1 1 5 2076 1 1 5 LYS O O 8.347 -0.734 -2.498 1.00 . A A . 5 LYS O 1 1 5 2077 1 1 6 TRP C C 9.172 0.596 -0.406 1.00 . A A . 6 TRP C 1 1 5 2078 1 1 6 TRP CA C 7.662 0.721 -0.242 1.00 . A A . 6 TRP CA 1 1 5 2079 1 1 6 TRP CB C 7.314 0.969 1.226 1.00 . A A . 6 TRP CB 1 1 5 2080 1 1 6 TRP CD1 C 8.973 0.637 3.151 1.00 . A A . 6 TRP CD1 1 1 5 2081 1 1 6 TRP CD2 C 8.223 -1.268 2.243 1.00 . A A . 6 TRP CD2 1 1 5 2082 1 1 6 TRP CE2 C 9.120 -1.588 3.282 1.00 . A A . 6 TRP CE2 1 1 5 2083 1 1 6 TRP CE3 C 7.622 -2.309 1.530 1.00 . A A . 6 TRP CE3 1 1 5 2084 1 1 6 TRP CG C 8.143 0.160 2.177 1.00 . A A . 6 TRP CG 1 1 5 2085 1 1 6 TRP CH2 C 8.828 -3.901 2.903 1.00 . A A . 6 TRP CH2 1 1 5 2086 1 1 6 TRP CZ2 C 9.431 -2.902 3.618 1.00 . A A . 6 TRP CZ2 1 1 5 2087 1 1 6 TRP CZ3 C 7.930 -3.612 1.864 1.00 . A A . 6 TRP CZ3 1 1 5 2088 1 1 6 TRP H H 6.213 -0.824 -0.232 1.00 . A A . 6 TRP H 1 1 5 2089 1 1 6 TRP HA H 7.316 1.559 -0.830 1.00 . A A . 6 TRP HA 1 1 5 2090 1 1 6 TRP HB2 H 7.468 2.013 1.456 1.00 . A A . 6 TRP HB2 1 1 5 2091 1 1 6 TRP HB3 H 6.277 0.717 1.390 1.00 . A A . 6 TRP HB3 1 1 5 2092 1 1 6 TRP HD1 H 9.135 1.684 3.353 1.00 . A A . 6 TRP HD1 1 1 5 2093 1 1 6 TRP HE1 H 10.200 -0.323 4.560 1.00 . A A . 6 TRP HE1 1 1 5 2094 1 1 6 TRP HE3 H 6.929 -2.106 0.727 1.00 . A A . 6 TRP HE3 1 1 5 2095 1 1 6 TRP HH2 H 9.039 -4.934 3.131 1.00 . A A . 6 TRP HH2 1 1 5 2096 1 1 6 TRP HZ2 H 10.119 -3.142 4.416 1.00 . A A . 6 TRP HZ2 1 1 5 2097 1 1 6 TRP HZ3 H 7.477 -4.428 1.323 1.00 . A A . 6 TRP HZ3 1 1 5 2098 1 1 6 TRP N N 6.984 -0.477 -0.728 1.00 . A A . 6 TRP N 1 1 5 2099 1 1 6 TRP NE1 N 9.566 -0.408 3.819 1.00 . A A . 6 TRP NE1 1 1 5 2100 1 1 6 TRP O O 9.902 1.570 -0.622 1.00 . A A . 6 TRP O 1 1 5 2101 1 1 7 NLE C C 11.900 -0.205 -1.440 1.00 . A A . 7 NLE C 1 1 5 2102 1 1 7 NLE CA C 11.145 -0.923 -0.269 1.00 . A A . 7 NLE CA 1 1 5 2103 1 1 7 NLE CB C 11.316 -2.468 -0.243 1.00 . A A . 7 NLE CB 1 1 5 2104 1 1 7 NLE CD C 12.862 -4.136 0.964 1.00 . A A . 7 NLE CD 1 1 5 2105 1 1 7 NLE CE C 13.524 -5.276 0.313 1.00 . A A . 7 NLE CE 1 1 5 2106 1 1 7 NLE CG C 12.771 -2.945 -0.006 1.00 . A A . 7 NLE CG 1 1 5 2107 1 1 7 NLE H H 8.976 -1.365 -0.124 1.00 . A A . 7 NLE H 1 1 5 2108 1 1 7 NLE HA H 11.565 -0.561 0.695 1.00 . A A . 7 NLE HA 1 1 5 2109 1 1 7 NLE HB2 H 10.678 -2.895 0.556 1.00 . A A . 7 NLE HB2 1 1 5 2110 1 1 7 NLE HB3 H 10.937 -2.907 -1.187 1.00 . A A . 7 NLE HB3 1 1 5 2111 1 1 7 NLE HD2 H 13.426 -3.861 1.877 1.00 . A A . 7 NLE HD2 1 1 5 2112 1 1 7 NLE HD3 H 11.856 -4.442 1.312 1.00 . A A . 7 NLE HD3 1 1 5 2113 1 1 7 NLE HE1 H 14.484 -5.028 0.042 1.00 . A A . 7 NLE HE1 1 1 5 2114 1 1 7 NLE HE2 H 13.566 -6.069 0.968 1.00 . A A . 7 NLE HE2 1 1 5 2115 1 1 7 NLE HE3 H 13.001 -5.572 -0.520 1.00 . A A . 7 NLE HE3 1 1 5 2116 1 1 7 NLE HG2 H 13.241 -3.231 -0.969 1.00 . A A . 7 NLE HG2 1 1 5 2117 1 1 7 NLE HG3 H 13.400 -2.121 0.385 1.00 . A A . 7 NLE HG3 1 1 5 2118 1 1 7 NLE N N 9.680 -0.644 -0.302 1.00 . A A . 7 NLE N 1 1 5 2119 1 1 7 NLE O O 13.127 -0.100 -1.401 1.00 . A A . 7 NLE O 1 1 5 2120 1 1 8 TRP C C 12.757 2.037 -3.081 1.00 . A A . 8 TRP C 1 1 5 2121 1 1 8 TRP CA C 11.768 0.981 -3.560 1.00 . A A . 8 TRP CA 1 1 5 2122 1 1 8 TRP CB C 10.684 1.633 -4.422 1.00 . A A . 8 TRP CB 1 1 5 2123 1 1 8 TRP CD1 C 9.807 -0.650 -5.186 1.00 . A A . 8 TRP CD1 1 1 5 2124 1 1 8 TRP CD2 C 8.247 0.955 -5.104 1.00 . A A . 8 TRP CD2 1 1 5 2125 1 1 8 TRP CE2 C 7.641 -0.243 -5.536 1.00 . A A . 8 TRP CE2 1 1 5 2126 1 1 8 TRP CE3 C 7.459 2.101 -4.977 1.00 . A A . 8 TRP CE3 1 1 5 2127 1 1 8 TRP CG C 9.634 0.670 -4.886 1.00 . A A . 8 TRP CG 1 1 5 2128 1 1 8 TRP CH2 C 5.536 0.818 -5.708 1.00 . A A . 8 TRP CH2 1 1 5 2129 1 1 8 TRP CZ2 C 6.283 -0.321 -5.842 1.00 . A A . 8 TRP CZ2 1 1 5 2130 1 1 8 TRP CZ3 C 6.113 2.022 -5.279 1.00 . A A . 8 TRP CZ3 1 1 5 2131 1 1 8 TRP H H 10.191 0.166 -2.408 1.00 . A A . 8 TRP H 1 1 5 2132 1 1 8 TRP HA H 12.296 0.252 -4.157 1.00 . A A . 8 TRP HA 1 1 5 2133 1 1 8 TRP HB2 H 10.197 2.407 -3.847 1.00 . A A . 8 TRP HB2 1 1 5 2134 1 1 8 TRP HB3 H 11.144 2.072 -5.295 1.00 . A A . 8 TRP HB3 1 1 5 2135 1 1 8 TRP HD1 H 10.752 -1.169 -5.121 1.00 . A A . 8 TRP HD1 1 1 5 2136 1 1 8 TRP HE1 H 8.482 -2.139 -5.844 1.00 . A A . 8 TRP HE1 1 1 5 2137 1 1 8 TRP HE3 H 7.885 3.038 -4.649 1.00 . A A . 8 TRP HE3 1 1 5 2138 1 1 8 TRP HH2 H 4.480 0.802 -5.933 1.00 . A A . 8 TRP HH2 1 1 5 2139 1 1 8 TRP HZ2 H 5.824 -1.239 -6.171 1.00 . A A . 8 TRP HZ2 1 1 5 2140 1 1 8 TRP HZ3 H 5.488 2.897 -5.187 1.00 . A A . 8 TRP HZ3 1 1 5 2141 1 1 8 TRP N N 11.164 0.281 -2.432 1.00 . A A . 8 TRP N 1 1 5 2142 1 1 8 TRP NE1 N 8.613 -1.205 -5.579 1.00 . A A . 8 TRP NE1 1 1 5 2143 1 1 8 TRP O O 12.763 2.408 -1.907 1.00 . A A . 8 TRP O 1 1 5 2144 1 1 9 THR C C 13.968 4.922 -3.632 1.00 . A A . 9 THR C 1 1 5 2145 1 1 9 THR CA C 14.588 3.529 -3.664 1.00 . A A . 9 THR CA 1 1 5 2146 1 1 9 THR CB C 15.752 3.521 -4.672 1.00 . A A . 9 THR CB 1 1 5 2147 1 1 9 THR CG2 C 15.233 3.513 -6.101 1.00 . A A . 9 THR CG2 1 1 5 2148 1 1 9 THR H H 13.540 2.180 -4.915 1.00 . A A . 9 THR H 1 1 5 2149 1 1 9 THR HA H 14.985 3.299 -2.684 1.00 . A A . 9 THR HA 1 1 5 2150 1 1 9 THR HB H 16.342 2.628 -4.512 1.00 . A A . 9 THR HB 1 1 5 2151 1 1 9 THR HG1 H 17.150 4.797 -5.234 1.00 . A A . 9 THR HG1 1 1 5 2152 1 1 9 THR HG21 H 15.373 2.531 -6.529 1.00 . A A . 9 THR HG21 1 1 5 2153 1 1 9 THR HG22 H 15.774 4.241 -6.685 1.00 . A A . 9 THR HG22 1 1 5 2154 1 1 9 THR HG23 H 14.182 3.759 -6.102 1.00 . A A . 9 THR HG23 1 1 5 2155 1 1 9 THR N N 13.593 2.517 -3.995 1.00 . A A . 9 THR N 1 1 5 2156 1 1 9 THR O O 14.278 5.769 -4.470 1.00 . A A . 9 THR O 1 1 5 2157 1 1 9 THR OG1 O 16.584 4.671 -4.468 1.00 . A A . 9 THR OG1 1 1 5 2158 1 1 10 CYS C C 13.381 7.583 -2.840 1.00 . A A . 10 CYS C 1 1 5 2159 1 1 10 CYS CA C 12.423 6.438 -2.520 1.00 . A A . 10 CYS CA 1 1 5 2160 1 1 10 CYS CB C 11.874 6.600 -1.101 1.00 . A A . 10 CYS CB 1 1 5 2161 1 1 10 CYS H H 12.883 4.432 -2.025 1.00 . A A . 10 CYS H 1 1 5 2162 1 1 10 CYS HA H 11.602 6.467 -3.221 1.00 . A A . 10 CYS HA 1 1 5 2163 1 1 10 CYS HB2 H 11.161 7.412 -1.091 1.00 . A A . 10 CYS HB2 1 1 5 2164 1 1 10 CYS HB3 H 11.375 5.688 -0.812 1.00 . A A . 10 CYS HB3 1 1 5 2165 1 1 10 CYS N N 13.088 5.149 -2.662 1.00 . A A . 10 CYS N 1 1 5 2166 1 1 10 CYS O O 14.568 7.519 -2.522 1.00 . A A . 10 CYS O 1 1 5 2167 1 1 10 CYS SG S 13.145 6.960 0.151 1.00 . A A . 10 CYS SG 1 1 5 2168 1 1 11 ASP C C 12.957 11.083 -3.444 1.00 . A A . 11 ASP C 1 1 5 2169 1 1 11 ASP CA C 13.662 9.788 -3.831 1.00 . A A . 11 ASP CA 1 1 5 2170 1 1 11 ASP CB C 13.959 9.782 -5.330 1.00 . A A . 11 ASP CB 1 1 5 2171 1 1 11 ASP CG C 15.335 9.226 -5.647 1.00 . A A . 11 ASP CG 1 1 5 2172 1 1 11 ASP H H 11.902 8.620 -3.696 1.00 . A A . 11 ASP H 1 1 5 2173 1 1 11 ASP HA H 14.594 9.725 -3.289 1.00 . A A . 11 ASP HA 1 1 5 2174 1 1 11 ASP HB2 H 13.222 9.174 -5.834 1.00 . A A . 11 ASP HB2 1 1 5 2175 1 1 11 ASP HB3 H 13.904 10.793 -5.707 1.00 . A A . 11 ASP HB3 1 1 5 2176 1 1 11 ASP N N 12.856 8.628 -3.469 1.00 . A A . 11 ASP N 1 1 5 2177 1 1 11 ASP O O 13.523 11.929 -2.753 1.00 . A A . 11 ASP O 1 1 5 2178 1 1 11 ASP OD1 O 15.901 9.606 -6.694 1.00 . A A . 11 ASP OD1 1 1 5 2179 1 1 11 ASP OD2 O 15.844 8.414 -4.848 1.00 . A A . 11 ASP OD2 1 1 5 2180 1 1 12 SER C C 9.558 12.351 -4.258 1.00 . A A . 12 SER C 1 1 5 2181 1 1 12 SER CA C 10.931 12.426 -3.604 1.00 . A A . 12 SER CA 1 1 5 2182 1 1 12 SER CB C 11.672 13.678 -4.085 1.00 . A A . 12 SER CB 1 1 5 2183 1 1 12 SER H H 11.318 10.523 -4.444 1.00 . A A . 12 SER H 1 1 5 2184 1 1 12 SER HA H 10.806 12.485 -2.532 1.00 . A A . 12 SER HA 1 1 5 2185 1 1 12 SER HB2 H 10.991 14.516 -4.086 1.00 . A A . 12 SER HB2 1 1 5 2186 1 1 12 SER HB3 H 12.498 13.884 -3.419 1.00 . A A . 12 SER HB3 1 1 5 2187 1 1 12 SER HG H 12.747 14.237 -5.623 1.00 . A A . 12 SER HG 1 1 5 2188 1 1 12 SER N N 11.715 11.233 -3.897 1.00 . A A . 12 SER N 1 1 5 2189 1 1 12 SER O O 8.570 12.849 -3.719 1.00 . A A . 12 SER O 1 1 5 2190 1 1 12 SER OG O 12.176 13.499 -5.397 1.00 . A A . 12 SER OG 1 1 5 2191 1 1 13 LYS C C 7.979 10.114 -6.492 1.00 . A A . 13 LYS C 1 1 5 2192 1 1 13 LYS CA C 8.248 11.578 -6.161 1.00 . A A . 13 LYS CA 1 1 5 2193 1 1 13 LYS CB C 8.288 12.406 -7.447 1.00 . A A . 13 LYS CB 1 1 5 2194 1 1 13 LYS CD C 8.452 14.674 -8.513 1.00 . A A . 13 LYS CD 1 1 5 2195 1 1 13 LYS CE C 9.286 15.938 -8.357 1.00 . A A . 13 LYS CE 1 1 5 2196 1 1 13 LYS CG C 8.363 13.903 -7.206 1.00 . A A . 13 LYS CG 1 1 5 2197 1 1 13 LYS H H 10.322 11.345 -5.808 1.00 . A A . 13 LYS H 1 1 5 2198 1 1 13 LYS HA H 7.452 11.946 -5.531 1.00 . A A . 13 LYS HA 1 1 5 2199 1 1 13 LYS HB2 H 9.152 12.110 -8.025 1.00 . A A . 13 LYS HB2 1 1 5 2200 1 1 13 LYS HB3 H 7.395 12.200 -8.021 1.00 . A A . 13 LYS HB3 1 1 5 2201 1 1 13 LYS HD2 H 8.909 14.045 -9.262 1.00 . A A . 13 LYS HD2 1 1 5 2202 1 1 13 LYS HD3 H 7.455 14.948 -8.829 1.00 . A A . 13 LYS HD3 1 1 5 2203 1 1 13 LYS HE2 H 9.334 16.194 -7.311 1.00 . A A . 13 LYS HE2 1 1 5 2204 1 1 13 LYS HE3 H 10.283 15.740 -8.727 1.00 . A A . 13 LYS HE3 1 1 5 2205 1 1 13 LYS HG2 H 7.477 14.217 -6.674 1.00 . A A . 13 LYS HG2 1 1 5 2206 1 1 13 LYS HG3 H 9.239 14.118 -6.611 1.00 . A A . 13 LYS HG3 1 1 5 2207 1 1 13 LYS HZ1 H 9.456 17.747 -9.385 1.00 . A A . 13 LYS HZ1 1 1 5 2208 1 1 13 LYS HZ2 H 8.010 17.582 -8.526 1.00 . A A . 13 LYS HZ2 1 1 5 2209 1 1 13 LYS HZ3 H 8.232 16.737 -9.974 1.00 . A A . 13 LYS HZ3 1 1 5 2210 1 1 13 LYS N N 9.501 11.722 -5.428 1.00 . A A . 13 LYS N 1 1 5 2211 1 1 13 LYS NZ N 8.706 17.082 -9.114 1.00 . A A . 13 LYS NZ 1 1 5 2212 1 1 13 LYS O O 7.519 9.791 -7.588 1.00 . A A . 13 LYS O 1 1 5 2213 1 1 14 ARG C C 6.569 7.453 -5.600 1.00 . A A . 14 ARG C 1 1 5 2214 1 1 14 ARG CA C 8.049 7.804 -5.729 1.00 . A A . 14 ARG CA 1 1 5 2215 1 1 14 ARG CB C 8.864 7.004 -4.715 1.00 . A A . 14 ARG CB 1 1 5 2216 1 1 14 ARG CD C 9.386 5.155 -6.335 1.00 . A A . 14 ARG CD 1 1 5 2217 1 1 14 ARG CG C 9.959 6.155 -5.343 1.00 . A A . 14 ARG CG 1 1 5 2218 1 1 14 ARG CZ C 10.220 3.508 -7.959 1.00 . A A . 14 ARG CZ 1 1 5 2219 1 1 14 ARG H H 8.624 9.553 -4.686 1.00 . A A . 14 ARG H 1 1 5 2220 1 1 14 ARG HA H 8.381 7.549 -6.726 1.00 . A A . 14 ARG HA 1 1 5 2221 1 1 14 ARG HB2 H 9.328 7.691 -4.019 1.00 . A A . 14 ARG HB2 1 1 5 2222 1 1 14 ARG HB3 H 8.200 6.350 -4.170 1.00 . A A . 14 ARG HB3 1 1 5 2223 1 1 14 ARG HD2 H 8.667 4.533 -5.824 1.00 . A A . 14 ARG HD2 1 1 5 2224 1 1 14 ARG HD3 H 8.893 5.699 -7.129 1.00 . A A . 14 ARG HD3 1 1 5 2225 1 1 14 ARG HE H 11.311 4.330 -6.503 1.00 . A A . 14 ARG HE 1 1 5 2226 1 1 14 ARG HG2 H 10.651 6.803 -5.862 1.00 . A A . 14 ARG HG2 1 1 5 2227 1 1 14 ARG HG3 H 10.479 5.619 -4.564 1.00 . A A . 14 ARG HG3 1 1 5 2228 1 1 14 ARG HH11 H 8.278 4.017 -8.185 1.00 . A A . 14 ARG HH11 1 1 5 2229 1 1 14 ARG HH12 H 8.879 2.856 -9.322 1.00 . A A . 14 ARG HH12 1 1 5 2230 1 1 14 ARG HH21 H 12.114 2.803 -7.995 1.00 . A A . 14 ARG HH21 1 1 5 2231 1 1 14 ARG HH22 H 11.061 2.166 -9.214 1.00 . A A . 14 ARG HH22 1 1 5 2232 1 1 14 ARG N N 8.262 9.234 -5.539 1.00 . A A . 14 ARG N 1 1 5 2233 1 1 14 ARG NE N 10.422 4.305 -6.914 1.00 . A A . 14 ARG NE 1 1 5 2234 1 1 14 ARG NH1 N 9.028 3.457 -8.536 1.00 . A A . 14 ARG NH1 1 1 5 2235 1 1 14 ARG NH2 N 11.213 2.765 -8.428 1.00 . A A . 14 ARG NH2 1 1 5 2236 1 1 14 ARG O O 5.716 8.336 -5.531 1.00 . A A . 14 ARG O 1 1 5 2237 1 1 15 ALA C C 4.676 4.992 -4.107 1.00 . A A . 15 ALA C 1 1 5 2238 1 1 15 ALA CA C 4.900 5.690 -5.444 1.00 . A A . 15 ALA CA 1 1 5 2239 1 1 15 ALA CB C 4.555 4.754 -6.594 1.00 . A A . 15 ALA CB 1 1 5 2240 1 1 15 ALA H H 7.000 5.501 -5.626 1.00 . A A . 15 ALA H 1 1 5 2241 1 1 15 ALA HA H 4.248 6.548 -5.504 1.00 . A A . 15 ALA HA 1 1 5 2242 1 1 15 ALA HB1 H 4.330 5.336 -7.474 1.00 . A A . 15 ALA HB1 1 1 5 2243 1 1 15 ALA HB2 H 5.396 4.106 -6.795 1.00 . A A . 15 ALA HB2 1 1 5 2244 1 1 15 ALA HB3 H 3.696 4.157 -6.325 1.00 . A A . 15 ALA HB3 1 1 5 2245 1 1 15 ALA N N 6.276 6.157 -5.567 1.00 . A A . 15 ALA N 1 1 5 2246 1 1 15 ALA O O 3.680 4.294 -3.917 1.00 . A A . 15 ALA O 1 1 5 2247 1 1 16 CYS C C 4.247 5.025 -1.142 1.00 . A A . 16 CYS C 1 1 5 2248 1 1 16 CYS CA C 5.514 4.572 -1.861 1.00 . A A . 16 CYS CA 1 1 5 2249 1 1 16 CYS CB C 6.745 4.928 -1.022 1.00 . A A . 16 CYS CB 1 1 5 2250 1 1 16 CYS H H 6.382 5.750 -3.390 1.00 . A A . 16 CYS H 1 1 5 2251 1 1 16 CYS HA H 5.475 3.502 -1.991 1.00 . A A . 16 CYS HA 1 1 5 2252 1 1 16 CYS HB2 H 6.958 5.981 -1.135 1.00 . A A . 16 CYS HB2 1 1 5 2253 1 1 16 CYS HB3 H 6.535 4.717 0.018 1.00 . A A . 16 CYS HB3 1 1 5 2254 1 1 16 CYS N N 5.609 5.183 -3.180 1.00 . A A . 16 CYS N 1 1 5 2255 1 1 16 CYS O O 3.378 5.664 -1.734 1.00 . A A . 16 CYS O 1 1 5 2256 1 1 16 CYS SG S 8.248 4.008 -1.482 1.00 . A A . 16 CYS SG 1 1 5 2257 1 1 17 CYS C C 3.325 6.218 1.881 1.00 . A A . 17 CYS C 1 1 5 2258 1 1 17 CYS CA C 2.990 5.061 0.944 1.00 . A A . 17 CYS CA 1 1 5 2259 1 1 17 CYS CB C 2.498 3.859 1.753 1.00 . A A . 17 CYS CB 1 1 5 2260 1 1 17 CYS H H 4.876 4.181 0.559 1.00 . A A . 17 CYS H 1 1 5 2261 1 1 17 CYS HA H 2.207 5.375 0.271 1.00 . A A . 17 CYS HA 1 1 5 2262 1 1 17 CYS HB2 H 2.211 4.193 2.739 1.00 . A A . 17 CYS HB2 1 1 5 2263 1 1 17 CYS HB3 H 1.638 3.431 1.260 1.00 . A A . 17 CYS HB3 1 1 5 2264 1 1 17 CYS N N 4.150 4.690 0.142 1.00 . A A . 17 CYS N 1 1 5 2265 1 1 17 CYS O O 3.012 7.371 1.593 1.00 . A A . 17 CYS O 1 1 5 2266 1 1 17 CYS SG S 3.738 2.541 1.955 1.00 . A A . 17 CYS SG 1 1 5 2267 1 1 18 GLU C C 5.754 6.668 4.498 1.00 . A A . 18 GLU C 1 1 5 2268 1 1 18 GLU CA C 4.337 6.909 3.983 1.00 . A A . 18 GLU CA 1 1 5 2269 1 1 18 GLU CB C 3.352 6.910 5.153 1.00 . A A . 18 GLU CB 1 1 5 2270 1 1 18 GLU CD C 1.829 8.786 5.888 1.00 . A A . 18 GLU CD 1 1 5 2271 1 1 18 GLU CG C 3.247 8.251 5.861 1.00 . A A . 18 GLU CG 1 1 5 2272 1 1 18 GLU H H 4.184 4.958 3.175 1.00 . A A . 18 GLU H 1 1 5 2273 1 1 18 GLU HA H 4.303 7.872 3.496 1.00 . A A . 18 GLU HA 1 1 5 2274 1 1 18 GLU HB2 H 2.373 6.644 4.784 1.00 . A A . 18 GLU HB2 1 1 5 2275 1 1 18 GLU HB3 H 3.666 6.169 5.875 1.00 . A A . 18 GLU HB3 1 1 5 2276 1 1 18 GLU HG2 H 3.590 8.135 6.878 1.00 . A A . 18 GLU HG2 1 1 5 2277 1 1 18 GLU HG3 H 3.876 8.963 5.348 1.00 . A A . 18 GLU HG3 1 1 5 2278 1 1 18 GLU N N 3.962 5.896 3.003 1.00 . A A . 18 GLU N 1 1 5 2279 1 1 18 GLU O O 6.073 6.990 5.641 1.00 . A A . 18 GLU O 1 1 5 2280 1 1 18 GLU OE1 O 1.020 8.281 6.695 1.00 . A A . 18 GLU OE1 1 1 5 2281 1 1 18 GLU OE2 O 1.528 9.709 5.103 1.00 . A A . 18 GLU OE2 1 1 5 2282 1 1 19 GLY C C 8.972 6.330 3.011 1.00 . A A . 19 GLY C 1 1 5 2283 1 1 19 GLY CA C 7.971 5.824 4.029 1.00 . A A . 19 GLY CA 1 1 5 2284 1 1 19 GLY H H 6.288 5.864 2.744 1.00 . A A . 19 GLY H 1 1 5 2285 1 1 19 GLY HA2 H 8.168 6.297 4.980 1.00 . A A . 19 GLY HA2 1 1 5 2286 1 1 19 GLY HA3 H 8.093 4.756 4.139 1.00 . A A . 19 GLY HA3 1 1 5 2287 1 1 19 GLY N N 6.599 6.099 3.643 1.00 . A A . 19 GLY N 1 1 5 2288 1 1 19 GLY O O 10.168 6.050 3.111 1.00 . A A . 19 GLY O 1 1 5 2289 1 1 20 LEU C C 10.251 8.716 1.538 1.00 . A A . 20 LEU C 1 1 5 2290 1 1 20 LEU CA C 9.346 7.621 0.981 1.00 . A A . 20 LEU CA 1 1 5 2291 1 1 20 LEU CB C 8.501 8.180 -0.166 1.00 . A A . 20 LEU CB 1 1 5 2292 1 1 20 LEU CD1 C 6.100 7.836 0.468 1.00 . A A . 20 LEU CD1 1 1 5 2293 1 1 20 LEU CD2 C 7.401 9.718 1.480 1.00 . A A . 20 LEU CD2 1 1 5 2294 1 1 20 LEU CG C 7.194 8.866 0.237 1.00 . A A . 20 LEU CG 1 1 5 2295 1 1 20 LEU H H 7.524 7.265 1.997 1.00 . A A . 20 LEU H 1 1 5 2296 1 1 20 LEU HA H 9.960 6.818 0.606 1.00 . A A . 20 LEU HA 1 1 5 2297 1 1 20 LEU HB2 H 9.101 8.899 -0.699 1.00 . A A . 20 LEU HB2 1 1 5 2298 1 1 20 LEU HB3 H 8.254 7.359 -0.823 1.00 . A A . 20 LEU HB3 1 1 5 2299 1 1 20 LEU HD11 H 5.416 7.843 -0.365 1.00 . A A . 20 LEU HD11 1 1 5 2300 1 1 20 LEU HD12 H 5.565 8.078 1.375 1.00 . A A . 20 LEU HD12 1 1 5 2301 1 1 20 LEU HD13 H 6.543 6.855 0.563 1.00 . A A . 20 LEU HD13 1 1 5 2302 1 1 20 LEU HD21 H 6.619 10.462 1.540 1.00 . A A . 20 LEU HD21 1 1 5 2303 1 1 20 LEU HD22 H 8.361 10.209 1.425 1.00 . A A . 20 LEU HD22 1 1 5 2304 1 1 20 LEU HD23 H 7.367 9.088 2.358 1.00 . A A . 20 LEU HD23 1 1 5 2305 1 1 20 LEU HG H 6.876 9.516 -0.567 1.00 . A A . 20 LEU HG 1 1 5 2306 1 1 20 LEU N N 8.486 7.077 2.025 1.00 . A A . 20 LEU N 1 1 5 2307 1 1 20 LEU O O 11.132 9.221 0.843 1.00 . A A . 20 LEU O 1 1 5 2308 1 1 21 ARG C C 12.192 9.564 3.861 1.00 . A A . 21 ARG C 1 1 5 2309 1 1 21 ARG CA C 10.826 10.109 3.451 1.00 . A A . 21 ARG CA 1 1 5 2310 1 1 21 ARG CB C 10.092 10.650 4.679 1.00 . A A . 21 ARG CB 1 1 5 2311 1 1 21 ARG CD C 8.323 9.421 5.972 1.00 . A A . 21 ARG CD 1 1 5 2312 1 1 21 ARG CG C 9.815 9.595 5.738 1.00 . A A . 21 ARG CG 1 1 5 2313 1 1 21 ARG CZ C 6.520 10.638 7.120 1.00 . A A . 21 ARG CZ 1 1 5 2314 1 1 21 ARG H H 9.313 8.635 3.303 1.00 . A A . 21 ARG H 1 1 5 2315 1 1 21 ARG HA H 10.969 10.911 2.744 1.00 . A A . 21 ARG HA 1 1 5 2316 1 1 21 ARG HB2 H 10.691 11.428 5.128 1.00 . A A . 21 ARG HB2 1 1 5 2317 1 1 21 ARG HB3 H 9.148 11.068 4.362 1.00 . A A . 21 ARG HB3 1 1 5 2318 1 1 21 ARG HD2 H 7.846 9.192 5.031 1.00 . A A . 21 ARG HD2 1 1 5 2319 1 1 21 ARG HD3 H 8.172 8.600 6.659 1.00 . A A . 21 ARG HD3 1 1 5 2320 1 1 21 ARG HE H 8.217 11.461 6.465 1.00 . A A . 21 ARG HE 1 1 5 2321 1 1 21 ARG HG2 H 10.227 8.652 5.410 1.00 . A A . 21 ARG HG2 1 1 5 2322 1 1 21 ARG HG3 H 10.283 9.893 6.663 1.00 . A A . 21 ARG HG3 1 1 5 2323 1 1 21 ARG HH11 H 6.182 8.664 6.862 1.00 . A A . 21 ARG HH11 1 1 5 2324 1 1 21 ARG HH12 H 4.919 9.534 7.669 1.00 . A A . 21 ARG HH12 1 1 5 2325 1 1 21 ARG HH21 H 6.563 12.618 7.528 1.00 . A A . 21 ARG HH21 1 1 5 2326 1 1 21 ARG HH22 H 5.137 11.785 8.047 1.00 . A A . 21 ARG HH22 1 1 5 2327 1 1 21 ARG N N 10.029 9.075 2.800 1.00 . A A . 21 ARG N 1 1 5 2328 1 1 21 ARG NE N 7.713 10.624 6.532 1.00 . A A . 21 ARG NE 1 1 5 2329 1 1 21 ARG NH1 N 5.815 9.521 7.225 1.00 . A A . 21 ARG NH1 1 1 5 2330 1 1 21 ARG NH2 N 6.035 11.774 7.604 1.00 . A A . 21 ARG NH2 1 1 5 2331 1 1 21 ARG O O 12.593 9.669 5.020 1.00 . A A . 21 ARG O 1 1 5 2332 1 1 22 CYS C C 15.159 8.663 1.981 1.00 . A A . 22 CYS C 1 1 5 2333 1 1 22 CYS CA C 14.222 8.417 3.161 1.00 . A A . 22 CYS CA 1 1 5 2334 1 1 22 CYS CB C 14.114 6.918 3.438 1.00 . A A . 22 CYS CB 1 1 5 2335 1 1 22 CYS H H 12.530 8.925 1.996 1.00 . A A . 22 CYS H 1 1 5 2336 1 1 22 CYS HA H 14.626 8.909 4.034 1.00 . A A . 22 CYS HA 1 1 5 2337 1 1 22 CYS HB2 H 15.058 6.562 3.828 1.00 . A A . 22 CYS HB2 1 1 5 2338 1 1 22 CYS HB3 H 13.342 6.748 4.174 1.00 . A A . 22 CYS HB3 1 1 5 2339 1 1 22 CYS N N 12.902 8.980 2.902 1.00 . A A . 22 CYS N 1 1 5 2340 1 1 22 CYS O O 14.937 9.564 1.175 1.00 . A A . 22 CYS O 1 1 5 2341 1 1 22 CYS SG S 13.714 5.916 1.971 1.00 . A A . 22 CYS SG 1 1 5 2342 1 1 23 LYS C C 16.902 6.960 -0.294 1.00 . A A . 23 LYS C 1 1 5 2343 1 1 23 LYS CA C 17.180 7.977 0.808 1.00 . A A . 23 LYS CA 1 1 5 2344 1 1 23 LYS CB C 18.600 7.789 1.346 1.00 . A A . 23 LYS CB 1 1 5 2345 1 1 23 LYS CD C 20.198 9.345 2.501 1.00 . A A . 23 LYS CD 1 1 5 2346 1 1 23 LYS CE C 20.019 10.675 1.788 1.00 . A A . 23 LYS CE 1 1 5 2347 1 1 23 LYS CG C 18.884 8.589 2.607 1.00 . A A . 23 LYS CG 1 1 5 2348 1 1 23 LYS H H 16.331 7.151 2.564 1.00 . A A . 23 LYS H 1 1 5 2349 1 1 23 LYS HA H 17.090 8.971 0.396 1.00 . A A . 23 LYS HA 1 1 5 2350 1 1 23 LYS HB2 H 18.751 6.742 1.568 1.00 . A A . 23 LYS HB2 1 1 5 2351 1 1 23 LYS HB3 H 19.304 8.092 0.586 1.00 . A A . 23 LYS HB3 1 1 5 2352 1 1 23 LYS HD2 H 20.577 9.531 3.496 1.00 . A A . 23 LYS HD2 1 1 5 2353 1 1 23 LYS HD3 H 20.907 8.743 1.951 1.00 . A A . 23 LYS HD3 1 1 5 2354 1 1 23 LYS HE2 H 20.986 11.028 1.463 1.00 . A A . 23 LYS HE2 1 1 5 2355 1 1 23 LYS HE3 H 19.384 10.525 0.929 1.00 . A A . 23 LYS HE3 1 1 5 2356 1 1 23 LYS HG2 H 18.085 9.297 2.762 1.00 . A A . 23 LYS HG2 1 1 5 2357 1 1 23 LYS HG3 H 18.935 7.911 3.447 1.00 . A A . 23 LYS HG3 1 1 5 2358 1 1 23 LYS HZ1 H 18.610 12.164 2.186 1.00 . A A . 23 LYS HZ1 1 1 5 2359 1 1 23 LYS HZ2 H 20.107 12.424 2.927 1.00 . A A . 23 LYS HZ2 1 1 5 2360 1 1 23 LYS HZ3 H 19.049 11.258 3.544 1.00 . A A . 23 LYS HZ3 1 1 5 2361 1 1 23 LYS N N 16.208 7.852 1.888 1.00 . A A . 23 LYS N 1 1 5 2362 1 1 23 LYS NZ N 19.404 11.703 2.674 1.00 . A A . 23 LYS NZ 1 1 5 2363 1 1 23 LYS O O 16.880 7.303 -1.477 1.00 . A A . 23 LYS O 1 1 5 2364 1 1 24 LEU C C 15.186 3.841 -0.431 1.00 . A A . 24 LEU C 1 1 5 2365 1 1 24 LEU CA C 16.414 4.643 -0.853 1.00 . A A . 24 LEU CA 1 1 5 2366 1 1 24 LEU CB C 17.625 3.716 -0.977 1.00 . A A . 24 LEU CB 1 1 5 2367 1 1 24 LEU CD1 C 19.046 5.490 -2.034 1.00 . A A . 24 LEU CD1 1 1 5 2368 1 1 24 LEU CD2 C 19.802 3.106 -2.060 1.00 . A A . 24 LEU CD2 1 1 5 2369 1 1 24 LEU CG C 18.600 4.038 -2.111 1.00 . A A . 24 LEU CG 1 1 5 2370 1 1 24 LEU H H 16.721 5.499 1.059 1.00 . A A . 24 LEU H 1 1 5 2371 1 1 24 LEU HA H 16.217 5.098 -1.812 1.00 . A A . 24 LEU HA 1 1 5 2372 1 1 24 LEU HB2 H 18.171 3.759 -0.049 1.00 . A A . 24 LEU HB2 1 1 5 2373 1 1 24 LEU HB3 H 17.257 2.712 -1.132 1.00 . A A . 24 LEU HB3 1 1 5 2374 1 1 24 LEU HD11 H 20.065 5.572 -2.380 1.00 . A A . 24 LEU HD11 1 1 5 2375 1 1 24 LEU HD12 H 18.984 5.832 -1.012 1.00 . A A . 24 LEU HD12 1 1 5 2376 1 1 24 LEU HD13 H 18.405 6.096 -2.658 1.00 . A A . 24 LEU HD13 1 1 5 2377 1 1 24 LEU HD21 H 20.085 2.829 -3.064 1.00 . A A . 24 LEU HD21 1 1 5 2378 1 1 24 LEU HD22 H 19.544 2.217 -1.502 1.00 . A A . 24 LEU HD22 1 1 5 2379 1 1 24 LEU HD23 H 20.626 3.608 -1.578 1.00 . A A . 24 LEU HD23 1 1 5 2380 1 1 24 LEU HG H 18.103 3.891 -3.060 1.00 . A A . 24 LEU HG 1 1 5 2381 1 1 24 LEU N N 16.691 5.709 0.101 1.00 . A A . 24 LEU N 1 1 5 2382 1 1 24 LEU O O 14.056 4.202 -0.753 1.00 . A A . 24 LEU O 1 1 5 2383 1 1 25 TRP C C 13.414 2.659 1.712 1.00 . A A . 25 TRP C 1 1 5 2384 1 1 25 TRP CA C 14.332 1.898 0.763 1.00 . A A . 25 TRP CA 1 1 5 2385 1 1 25 TRP CB C 14.894 0.657 1.459 1.00 . A A . 25 TRP CB 1 1 5 2386 1 1 25 TRP CD1 C 13.190 -0.033 3.244 1.00 . A A . 25 TRP CD1 1 1 5 2387 1 1 25 TRP CD2 C 15.081 0.838 4.066 1.00 . A A . 25 TRP CD2 1 1 5 2388 1 1 25 TRP CE2 C 14.236 0.502 5.142 1.00 . A A . 25 TRP CE2 1 1 5 2389 1 1 25 TRP CE3 C 16.330 1.402 4.342 1.00 . A A . 25 TRP CE3 1 1 5 2390 1 1 25 TRP CG C 14.393 0.487 2.861 1.00 . A A . 25 TRP CG 1 1 5 2391 1 1 25 TRP CH2 C 15.828 1.267 6.710 1.00 . A A . 25 TRP CH2 1 1 5 2392 1 1 25 TRP CZ2 C 14.601 0.713 6.469 1.00 . A A . 25 TRP CZ2 1 1 5 2393 1 1 25 TRP CZ3 C 16.691 1.610 5.658 1.00 . A A . 25 TRP CZ3 1 1 5 2394 1 1 25 TRP H H 16.345 2.516 0.520 1.00 . A A . 25 TRP H 1 1 5 2395 1 1 25 TRP HA H 13.761 1.588 -0.101 1.00 . A A . 25 TRP HA 1 1 5 2396 1 1 25 TRP HB2 H 14.617 -0.219 0.896 1.00 . A A . 25 TRP HB2 1 1 5 2397 1 1 25 TRP HB3 H 15.972 0.733 1.496 1.00 . A A . 25 TRP HB3 1 1 5 2398 1 1 25 TRP HD1 H 12.436 -0.390 2.558 1.00 . A A . 25 TRP HD1 1 1 5 2399 1 1 25 TRP HE1 H 12.319 -0.349 5.129 1.00 . A A . 25 TRP HE1 1 1 5 2400 1 1 25 TRP HE3 H 17.009 1.673 3.546 1.00 . A A . 25 TRP HE3 1 1 5 2401 1 1 25 TRP HH2 H 16.152 1.448 7.724 1.00 . A A . 25 TRP HH2 1 1 5 2402 1 1 25 TRP HZ2 H 13.949 0.453 7.289 1.00 . A A . 25 TRP HZ2 1 1 5 2403 1 1 25 TRP HZ3 H 17.651 2.046 5.892 1.00 . A A . 25 TRP HZ3 1 1 5 2404 1 1 25 TRP N N 15.419 2.752 0.294 1.00 . A A . 25 TRP N 1 1 5 2405 1 1 25 TRP NE1 N 13.087 -0.026 4.612 1.00 . A A . 25 TRP NE1 1 1 5 2406 1 1 25 TRP O O 13.816 3.026 2.819 1.00 . A A . 25 TRP O 1 1 5 2407 1 1 26 CYS C C 11.296 3.184 3.550 1.00 . A A . 26 CYS C 1 1 5 2408 1 1 26 CYS CA C 11.208 3.612 2.089 1.00 . A A . 26 CYS CA 1 1 5 2409 1 1 26 CYS CB C 9.793 3.366 1.559 1.00 . A A . 26 CYS CB 1 1 5 2410 1 1 26 CYS H H 11.921 2.577 0.387 1.00 . A A . 26 CYS H 1 1 5 2411 1 1 26 CYS HA H 11.430 4.666 2.021 1.00 . A A . 26 CYS HA 1 1 5 2412 1 1 26 CYS HB2 H 9.669 2.312 1.357 1.00 . A A . 26 CYS HB2 1 1 5 2413 1 1 26 CYS HB3 H 9.078 3.669 2.311 1.00 . A A . 26 CYS HB3 1 1 5 2414 1 1 26 CYS N N 12.182 2.895 1.276 1.00 . A A . 26 CYS N 1 1 5 2415 1 1 26 CYS O O 11.299 1.993 3.860 1.00 . A A . 26 CYS O 1 1 5 2416 1 1 26 CYS SG S 9.404 4.273 0.028 1.00 . A A . 26 CYS SG 1 1 5 2417 1 1 27 ARG C C 10.072 3.692 6.479 1.00 . A A . 27 ARG C 1 1 5 2418 1 1 27 ARG CA C 11.458 3.890 5.875 1.00 . A A . 27 ARG CA 1 1 5 2419 1 1 27 ARG CB C 12.179 5.033 6.590 1.00 . A A . 27 ARG CB 1 1 5 2420 1 1 27 ARG CD C 14.351 6.183 7.113 1.00 . A A . 27 ARG CD 1 1 5 2421 1 1 27 ARG CG C 13.681 5.048 6.358 1.00 . A A . 27 ARG CG 1 1 5 2422 1 1 27 ARG CZ C 13.696 8.413 7.915 1.00 . A A . 27 ARG CZ 1 1 5 2423 1 1 27 ARG H H 11.361 5.095 4.136 1.00 . A A . 27 ARG H 1 1 5 2424 1 1 27 ARG HA H 12.027 2.980 6.002 1.00 . A A . 27 ARG HA 1 1 5 2425 1 1 27 ARG HB2 H 11.774 5.973 6.242 1.00 . A A . 27 ARG HB2 1 1 5 2426 1 1 27 ARG HB3 H 12.002 4.946 7.651 1.00 . A A . 27 ARG HB3 1 1 5 2427 1 1 27 ARG HD2 H 14.455 5.897 8.150 1.00 . A A . 27 ARG HD2 1 1 5 2428 1 1 27 ARG HD3 H 15.330 6.354 6.688 1.00 . A A . 27 ARG HD3 1 1 5 2429 1 1 27 ARG HE H 12.944 7.516 6.301 1.00 . A A . 27 ARG HE 1 1 5 2430 1 1 27 ARG HG2 H 14.097 4.109 6.695 1.00 . A A . 27 ARG HG2 1 1 5 2431 1 1 27 ARG HG3 H 13.869 5.167 5.301 1.00 . A A . 27 ARG HG3 1 1 5 2432 1 1 27 ARG HH11 H 15.105 7.488 9.031 1.00 . A A . 27 ARG HH11 1 1 5 2433 1 1 27 ARG HH12 H 14.632 9.061 9.586 1.00 . A A . 27 ARG HH12 1 1 5 2434 1 1 27 ARG HH21 H 12.316 9.588 7.019 1.00 . A A . 27 ARG HH21 1 1 5 2435 1 1 27 ARG HH22 H 13.046 10.252 8.442 1.00 . A A . 27 ARG HH22 1 1 5 2436 1 1 27 ARG N N 11.367 4.164 4.445 1.00 . A A . 27 ARG N 1 1 5 2437 1 1 27 ARG NE N 13.580 7.420 7.039 1.00 . A A . 27 ARG NE 1 1 5 2438 1 1 27 ARG NH1 N 14.546 8.312 8.928 1.00 . A A . 27 ARG NH1 1 1 5 2439 1 1 27 ARG NH2 N 12.958 9.506 7.781 1.00 . A A . 27 ARG NH2 1 1 5 2440 1 1 27 ARG O O 9.842 3.999 7.648 1.00 . A A . 27 ARG O 1 1 5 2441 1 1 28 LYS C C 7.749 1.847 7.194 1.00 . A A . 28 LYS C 1 1 5 2442 1 1 28 LYS CA C 7.784 2.934 6.127 1.00 . A A . 28 LYS CA 1 1 5 2443 1 1 28 LYS CB C 6.895 2.534 4.946 1.00 . A A . 28 LYS CB 1 1 5 2444 1 1 28 LYS CD C 4.421 2.798 5.292 1.00 . A A . 28 LYS CD 1 1 5 2445 1 1 28 LYS CE C 4.138 3.230 6.722 1.00 . A A . 28 LYS CE 1 1 5 2446 1 1 28 LYS CG C 5.692 3.440 4.758 1.00 . A A . 28 LYS CG 1 1 5 2447 1 1 28 LYS H H 9.393 2.951 4.748 1.00 . A A . 28 LYS H 1 1 5 2448 1 1 28 LYS HA H 7.409 3.852 6.554 1.00 . A A . 28 LYS HA 1 1 5 2449 1 1 28 LYS HB2 H 7.485 2.561 4.042 1.00 . A A . 28 LYS HB2 1 1 5 2450 1 1 28 LYS HB3 H 6.541 1.527 5.105 1.00 . A A . 28 LYS HB3 1 1 5 2451 1 1 28 LYS HD2 H 3.590 3.091 4.668 1.00 . A A . 28 LYS HD2 1 1 5 2452 1 1 28 LYS HD3 H 4.533 1.723 5.267 1.00 . A A . 28 LYS HD3 1 1 5 2453 1 1 28 LYS HE2 H 4.791 2.685 7.386 1.00 . A A . 28 LYS HE2 1 1 5 2454 1 1 28 LYS HE3 H 4.339 4.288 6.811 1.00 . A A . 28 LYS HE3 1 1 5 2455 1 1 28 LYS HG2 H 5.862 4.367 5.285 1.00 . A A . 28 LYS HG2 1 1 5 2456 1 1 28 LYS HG3 H 5.565 3.641 3.704 1.00 . A A . 28 LYS HG3 1 1 5 2457 1 1 28 LYS HZ1 H 2.637 2.951 8.147 1.00 . A A . 28 LYS HZ1 1 1 5 2458 1 1 28 LYS HZ2 H 2.411 2.056 6.731 1.00 . A A . 28 LYS HZ2 1 1 5 2459 1 1 28 LYS HZ3 H 2.108 3.719 6.736 1.00 . A A . 28 LYS HZ3 1 1 5 2460 1 1 28 LYS N N 9.150 3.176 5.672 1.00 . A A . 28 LYS N 1 1 5 2461 1 1 28 LYS NZ N 2.724 2.971 7.111 1.00 . A A . 28 LYS NZ 1 1 5 2462 1 1 28 LYS O O 8.701 1.686 7.961 1.00 . A A . 28 LYS O 1 1 5 2463 1 1 29 ILE C C 7.661 -0.953 8.138 1.00 . A A . 29 ILE C 1 1 5 2464 1 1 29 ILE CA C 6.495 0.029 8.212 1.00 . A A . 29 ILE CA 1 1 5 2465 1 1 29 ILE CB C 5.178 -0.741 7.997 1.00 . A A . 29 ILE CB 1 1 5 2466 1 1 29 ILE CD1 C 5.504 -0.958 5.482 1.00 . A A . 29 ILE CD1 1 1 5 2467 1 1 29 ILE CG1 C 5.298 -1.680 6.794 1.00 . A A . 29 ILE CG1 1 1 5 2468 1 1 29 ILE CG2 C 4.024 0.231 7.800 1.00 . A A . 29 ILE CG2 1 1 5 2469 1 1 29 ILE H H 5.927 1.280 6.602 1.00 . A A . 29 ILE H 1 1 5 2470 1 1 29 ILE HA H 6.473 0.472 9.197 1.00 . A A . 29 ILE HA 1 1 5 2471 1 1 29 ILE HB H 4.978 -1.324 8.881 1.00 . A A . 29 ILE HB 1 1 5 2472 1 1 29 ILE HD11 H 6.443 -0.425 5.504 1.00 . A A . 29 ILE HD11 1 1 5 2473 1 1 29 ILE HD12 H 5.513 -1.673 4.674 1.00 . A A . 29 ILE HD12 1 1 5 2474 1 1 29 ILE HD13 H 4.697 -0.254 5.330 1.00 . A A . 29 ILE HD13 1 1 5 2475 1 1 29 ILE HG12 H 6.141 -2.338 6.945 1.00 . A A . 29 ILE HG12 1 1 5 2476 1 1 29 ILE HG13 H 4.398 -2.270 6.715 1.00 . A A . 29 ILE HG13 1 1 5 2477 1 1 29 ILE HG21 H 4.106 0.698 6.829 1.00 . A A . 29 ILE HG21 1 1 5 2478 1 1 29 ILE HG22 H 3.089 -0.304 7.862 1.00 . A A . 29 ILE HG22 1 1 5 2479 1 1 29 ILE HG23 H 4.057 0.989 8.568 1.00 . A A . 29 ILE HG23 1 1 5 2480 1 1 29 ILE N N 6.651 1.102 7.239 1.00 . A A . 29 ILE N 1 1 5 2481 1 1 29 ILE O O 7.915 -1.704 9.082 1.00 . A A . 29 ILE O 1 1 5 2482 1 1 30 ILE C C 9.058 -3.276 6.664 1.00 . A A . 30 ILE C 1 1 5 2483 1 1 30 ILE CA C 9.507 -1.828 6.818 1.00 . A A . 30 ILE CA 1 1 5 2484 1 1 30 ILE CB C 10.500 -1.732 7.990 1.00 . A A . 30 ILE CB 1 1 5 2485 1 1 30 ILE CD1 C 11.120 0.594 7.165 1.00 . A A . 30 ILE CD1 1 1 5 2486 1 1 30 ILE CG1 C 10.756 -0.268 8.355 1.00 . A A . 30 ILE CG1 1 1 5 2487 1 1 30 ILE CG2 C 11.807 -2.430 7.637 1.00 . A A . 30 ILE CG2 1 1 5 2488 1 1 30 ILE H H 8.116 -0.319 6.298 1.00 . A A . 30 ILE H 1 1 5 2489 1 1 30 ILE HA H 10.016 -1.522 5.916 1.00 . A A . 30 ILE HA 1 1 5 2490 1 1 30 ILE HB H 10.071 -2.237 8.842 1.00 . A A . 30 ILE HB 1 1 5 2491 1 1 30 ILE HD11 H 12.102 0.320 6.807 1.00 . A A . 30 ILE HD11 1 1 5 2492 1 1 30 ILE HD12 H 10.396 0.450 6.380 1.00 . A A . 30 ILE HD12 1 1 5 2493 1 1 30 ILE HD13 H 11.126 1.634 7.464 1.00 . A A . 30 ILE HD13 1 1 5 2494 1 1 30 ILE HG12 H 9.867 0.146 8.801 1.00 . A A . 30 ILE HG12 1 1 5 2495 1 1 30 ILE HG13 H 11.570 -0.216 9.062 1.00 . A A . 30 ILE HG13 1 1 5 2496 1 1 30 ILE HG21 H 11.677 -3.498 7.721 1.00 . A A . 30 ILE HG21 1 1 5 2497 1 1 30 ILE HG22 H 12.084 -2.181 6.624 1.00 . A A . 30 ILE HG22 1 1 5 2498 1 1 30 ILE HG23 H 12.582 -2.107 8.314 1.00 . A A . 30 ILE HG23 1 1 5 2499 1 1 30 ILE N N 8.367 -0.940 7.014 1.00 . A A . 30 ILE N 1 1 5 2500 1 1 30 ILE O O 8.868 -3.986 7.652 1.00 . A A . 30 ILE O 1 1 6 2501 1 1 1 ARG C C -2.221 -4.009 1.297 1.00 . A A . 1 ARG C 1 1 6 2502 1 1 1 ARG CA C -2.076 -5.213 0.388 1.00 . A A . 1 ARG CA 1 1 6 2503 1 1 1 ARG H1 H -2.944 -5.151 -1.543 1.00 . A A . 1 ARG H1 1 1 6 2504 1 1 1 ARG HA H -2.855 -5.924 0.622 1.00 . A A . 1 ARG HA 1 1 6 2505 1 1 1 ARG N N -2.168 -4.863 -1.017 1.00 . A A . 1 ARG N 1 1 6 2506 1 1 1 ARG O O -3.305 -3.435 1.411 1.00 . A A . 1 ARG O 1 1 6 2507 1 1 2 TYR C C -0.379 -1.303 2.252 1.00 . A A . 2 TYR C 1 1 6 2508 1 1 2 TYR CA C -1.138 -2.484 2.852 1.00 . A A . 2 TYR CA 1 1 6 2509 1 1 2 TYR CB C -0.520 -2.870 4.197 1.00 . A A . 2 TYR CB 1 1 6 2510 1 1 2 TYR CD1 C -1.624 -4.842 5.322 1.00 . A A . 2 TYR CD1 1 1 6 2511 1 1 2 TYR CD2 C -2.334 -2.650 5.940 1.00 . A A . 2 TYR CD2 1 1 6 2512 1 1 2 TYR CE1 C -2.530 -5.390 6.211 1.00 . A A . 2 TYR CE1 1 1 6 2513 1 1 2 TYR CE2 C -3.241 -3.191 6.830 1.00 . A A . 2 TYR CE2 1 1 6 2514 1 1 2 TYR CG C -1.511 -3.465 5.171 1.00 . A A . 2 TYR CG 1 1 6 2515 1 1 2 TYR CZ C -3.336 -4.562 6.962 1.00 . A A . 2 TYR CZ 1 1 6 2516 1 1 2 TYR H H -0.293 -4.123 1.814 1.00 . A A . 2 TYR H 1 1 6 2517 1 1 2 TYR HA H -2.167 -2.195 3.010 1.00 . A A . 2 TYR HA 1 1 6 2518 1 1 2 TYR HB2 H 0.261 -3.597 4.034 1.00 . A A . 2 TYR HB2 1 1 6 2519 1 1 2 TYR HB3 H -0.092 -1.989 4.655 1.00 . A A . 2 TYR HB3 1 1 6 2520 1 1 2 TYR HD1 H -0.992 -5.488 4.732 1.00 . A A . 2 TYR HD1 1 1 6 2521 1 1 2 TYR HD2 H -2.260 -1.579 5.834 1.00 . A A . 2 TYR HD2 1 1 6 2522 1 1 2 TYR HE1 H -2.604 -6.462 6.314 1.00 . A A . 2 TYR HE1 1 1 6 2523 1 1 2 TYR HE2 H -3.874 -2.543 7.419 1.00 . A A . 2 TYR HE2 1 1 6 2524 1 1 2 TYR HH H -4.219 -4.606 8.669 1.00 . A A . 2 TYR HH 1 1 6 2525 1 1 2 TYR N N -1.127 -3.626 1.945 1.00 . A A . 2 TYR N 1 1 6 2526 1 1 2 TYR O O -0.732 -0.146 2.475 1.00 . A A . 2 TYR O 1 1 6 2527 1 1 2 TYR OH O -4.239 -5.103 7.848 1.00 . A A . 2 TYR OH 1 1 6 2528 1 1 3 CYS C C 1.821 -0.962 -0.582 1.00 . A A . 3 CYS C 1 1 6 2529 1 1 3 CYS CA C 1.472 -0.573 0.853 1.00 . A A . 3 CYS CA 1 1 6 2530 1 1 3 CYS CB C 2.754 -0.335 1.653 1.00 . A A . 3 CYS CB 1 1 6 2531 1 1 3 CYS H H 0.897 -2.550 1.346 1.00 . A A . 3 CYS H 1 1 6 2532 1 1 3 CYS HA H 0.894 0.337 0.835 1.00 . A A . 3 CYS HA 1 1 6 2533 1 1 3 CYS HB2 H 3.026 -1.249 2.162 1.00 . A A . 3 CYS HB2 1 1 6 2534 1 1 3 CYS HB3 H 3.547 -0.057 0.977 1.00 . A A . 3 CYS HB3 1 1 6 2535 1 1 3 CYS N N 0.664 -1.607 1.486 1.00 . A A . 3 CYS N 1 1 6 2536 1 1 3 CYS O O 1.305 -1.943 -1.114 1.00 . A A . 3 CYS O 1 1 6 2537 1 1 3 CYS SG S 2.611 0.976 2.910 1.00 . A A . 3 CYS SG 1 1 6 2538 1 1 4 GLN C C 4.638 -0.579 -2.664 1.00 . A A . 4 GLN C 1 1 6 2539 1 1 4 GLN CA C 3.121 -0.444 -2.573 1.00 . A A . 4 GLN CA 1 1 6 2540 1 1 4 GLN CB C 2.640 0.677 -3.498 1.00 . A A . 4 GLN CB 1 1 6 2541 1 1 4 GLN CD C 0.163 0.542 -3.025 1.00 . A A . 4 GLN CD 1 1 6 2542 1 1 4 GLN CG C 1.408 1.404 -2.981 1.00 . A A . 4 GLN CG 1 1 6 2543 1 1 4 GLN H H 3.081 0.584 -0.725 1.00 . A A . 4 GLN H 1 1 6 2544 1 1 4 GLN HA H 2.672 -1.374 -2.886 1.00 . A A . 4 GLN HA 1 1 6 2545 1 1 4 GLN HB2 H 3.436 1.396 -3.614 1.00 . A A . 4 GLN HB2 1 1 6 2546 1 1 4 GLN HB3 H 2.405 0.253 -4.464 1.00 . A A . 4 GLN HB3 1 1 6 2547 1 1 4 GLN HE21 H -0.649 1.601 -1.550 1.00 . A A . 4 GLN HE21 1 1 6 2548 1 1 4 GLN HE22 H -1.614 0.308 -2.165 1.00 . A A . 4 GLN HE22 1 1 6 2549 1 1 4 GLN HG2 H 1.587 1.704 -1.960 1.00 . A A . 4 GLN HG2 1 1 6 2550 1 1 4 GLN HG3 H 1.244 2.280 -3.590 1.00 . A A . 4 GLN HG3 1 1 6 2551 1 1 4 GLN N N 2.704 -0.183 -1.203 1.00 . A A . 4 GLN N 1 1 6 2552 1 1 4 GLN NE2 N -0.797 0.847 -2.159 1.00 . A A . 4 GLN NE2 1 1 6 2553 1 1 4 GLN O O 5.343 0.391 -2.947 1.00 . A A . 4 GLN O 1 1 6 2554 1 1 4 GLN OE1 O 0.062 -0.386 -3.828 1.00 . A A . 4 GLN OE1 1 1 6 2555 1 1 5 LYS C C 7.363 -0.841 -1.994 1.00 . A A . 5 LYS C 1 1 6 2556 1 1 5 LYS CA C 6.569 -2.051 -2.479 1.00 . A A . 5 LYS CA 1 1 6 2557 1 1 5 LYS CB C 6.987 -2.409 -3.906 1.00 . A A . 5 LYS CB 1 1 6 2558 1 1 5 LYS CD C 7.675 -4.325 -5.377 1.00 . A A . 5 LYS CD 1 1 6 2559 1 1 5 LYS CE C 7.771 -5.841 -5.434 1.00 . A A . 5 LYS CE 1 1 6 2560 1 1 5 LYS CG C 6.752 -3.867 -4.260 1.00 . A A . 5 LYS CG 1 1 6 2561 1 1 5 LYS H H 4.524 -2.521 -2.204 1.00 . A A . 5 LYS H 1 1 6 2562 1 1 5 LYS HA H 6.778 -2.886 -1.830 1.00 . A A . 5 LYS HA 1 1 6 2563 1 1 5 LYS HB2 H 6.427 -1.797 -4.598 1.00 . A A . 5 LYS HB2 1 1 6 2564 1 1 5 LYS HB3 H 8.041 -2.197 -4.024 1.00 . A A . 5 LYS HB3 1 1 6 2565 1 1 5 LYS HD2 H 7.293 -3.964 -6.320 1.00 . A A . 5 LYS HD2 1 1 6 2566 1 1 5 LYS HD3 H 8.662 -3.918 -5.207 1.00 . A A . 5 LYS HD3 1 1 6 2567 1 1 5 LYS HE2 H 7.186 -6.256 -4.629 1.00 . A A . 5 LYS HE2 1 1 6 2568 1 1 5 LYS HE3 H 7.373 -6.180 -6.380 1.00 . A A . 5 LYS HE3 1 1 6 2569 1 1 5 LYS HG2 H 6.934 -4.475 -3.387 1.00 . A A . 5 LYS HG2 1 1 6 2570 1 1 5 LYS HG3 H 5.726 -3.988 -4.581 1.00 . A A . 5 LYS HG3 1 1 6 2571 1 1 5 LYS HZ1 H 9.448 -6.363 -4.301 1.00 . A A . 5 LYS HZ1 1 1 6 2572 1 1 5 LYS HZ2 H 9.821 -5.659 -5.792 1.00 . A A . 5 LYS HZ2 1 1 6 2573 1 1 5 LYS HZ3 H 9.277 -7.261 -5.725 1.00 . A A . 5 LYS HZ3 1 1 6 2574 1 1 5 LYS N N 5.136 -1.787 -2.423 1.00 . A A . 5 LYS N 1 1 6 2575 1 1 5 LYS NZ N 9.178 -6.314 -5.304 1.00 . A A . 5 LYS NZ 1 1 6 2576 1 1 5 LYS O O 8.310 -0.406 -2.648 1.00 . A A . 5 LYS O 1 1 6 2577 1 1 6 TRP C C 9.155 0.753 -0.464 1.00 . A A . 6 TRP C 1 1 6 2578 1 1 6 TRP CA C 7.647 0.855 -0.272 1.00 . A A . 6 TRP CA 1 1 6 2579 1 1 6 TRP CB C 7.319 0.978 1.217 1.00 . A A . 6 TRP CB 1 1 6 2580 1 1 6 TRP CD1 C 9.012 0.508 3.082 1.00 . A A . 6 TRP CD1 1 1 6 2581 1 1 6 TRP CD2 C 8.256 -1.325 2.042 1.00 . A A . 6 TRP CD2 1 1 6 2582 1 1 6 TRP CE2 C 9.173 -1.719 3.036 1.00 . A A . 6 TRP CE2 1 1 6 2583 1 1 6 TRP CE3 C 7.649 -2.311 1.258 1.00 . A A . 6 TRP CE3 1 1 6 2584 1 1 6 TRP CG C 8.169 0.102 2.088 1.00 . A A . 6 TRP CG 1 1 6 2585 1 1 6 TRP CH2 C 8.886 -3.996 2.483 1.00 . A A . 6 TRP CH2 1 1 6 2586 1 1 6 TRP CZ2 C 9.496 -3.055 3.265 1.00 . A A . 6 TRP CZ2 1 1 6 2587 1 1 6 TRP CZ3 C 7.971 -3.635 1.485 1.00 . A A . 6 TRP CZ3 1 1 6 2588 1 1 6 TRP H H 6.209 -0.696 -0.369 1.00 . A A . 6 TRP H 1 1 6 2589 1 1 6 TRP HA H 7.287 1.734 -0.784 1.00 . A A . 6 TRP HA 1 1 6 2590 1 1 6 TRP HB2 H 7.465 2.001 1.527 1.00 . A A . 6 TRP HB2 1 1 6 2591 1 1 6 TRP HB3 H 6.284 0.703 1.374 1.00 . A A . 6 TRP HB3 1 1 6 2592 1 1 6 TRP HD1 H 9.171 1.538 3.364 1.00 . A A . 6 TRP HD1 1 1 6 2593 1 1 6 TRP HE1 H 10.270 -0.549 4.391 1.00 . A A . 6 TRP HE1 1 1 6 2594 1 1 6 TRP HE3 H 6.941 -2.052 0.485 1.00 . A A . 6 TRP HE3 1 1 6 2595 1 1 6 TRP HH2 H 9.108 -5.043 2.626 1.00 . A A . 6 TRP HH2 1 1 6 2596 1 1 6 TRP HZ2 H 10.199 -3.349 4.030 1.00 . A A . 6 TRP HZ2 1 1 6 2597 1 1 6 TRP HZ3 H 7.511 -4.411 0.891 1.00 . A A . 6 TRP HZ3 1 1 6 2598 1 1 6 TRP N N 6.969 -0.305 -0.843 1.00 . A A . 6 TRP N 1 1 6 2599 1 1 6 TRP NE1 N 9.620 -0.582 3.656 1.00 . A A . 6 TRP NE1 1 1 6 2600 1 1 6 TRP O O 9.876 1.746 -0.608 1.00 . A A . 6 TRP O 1 1 6 2601 1 1 7 NLE C C 11.872 0.045 -1.604 1.00 . A A . 7 NLE C 1 1 6 2602 1 1 7 NLE CA C 11.139 -0.758 -0.476 1.00 . A A . 7 NLE CA 1 1 6 2603 1 1 7 NLE CB C 11.320 -2.301 -0.563 1.00 . A A . 7 NLE CB 1 1 6 2604 1 1 7 NLE CD C 12.907 -4.046 0.465 1.00 . A A . 7 NLE CD 1 1 6 2605 1 1 7 NLE CE C 13.563 -5.124 -0.290 1.00 . A A . 7 NLE CE 1 1 6 2606 1 1 7 NLE CG C 12.784 -2.782 -0.402 1.00 . A A . 7 NLE CG 1 1 6 2607 1 1 7 NLE H H 8.975 -1.226 -0.341 1.00 . A A . 7 NLE H 1 1 6 2608 1 1 7 NLE HA H 11.572 -0.463 0.503 1.00 . A A . 7 NLE HA 1 1 6 2609 1 1 7 NLE HB2 H 10.707 -2.787 0.221 1.00 . A A . 7 NLE HB2 1 1 6 2610 1 1 7 NLE HB3 H 10.915 -2.676 -1.524 1.00 . A A . 7 NLE HB3 1 1 6 2611 1 1 7 NLE HD2 H 13.490 -3.840 1.384 1.00 . A A . 7 NLE HD2 1 1 6 2612 1 1 7 NLE HD3 H 11.913 -4.390 0.809 1.00 . A A . 7 NLE HD3 1 1 6 2613 1 1 7 NLE HE1 H 14.514 -4.844 -0.563 1.00 . A A . 7 NLE HE1 1 1 6 2614 1 1 7 NLE HE2 H 13.628 -5.966 0.297 1.00 . A A . 7 NLE HE2 1 1 6 2615 1 1 7 NLE HE3 H 13.023 -5.356 -1.133 1.00 . A A . 7 NLE HE3 1 1 6 2616 1 1 7 NLE HG2 H 13.230 -2.985 -1.396 1.00 . A A . 7 NLE HG2 1 1 6 2617 1 1 7 NLE HG3 H 13.415 -1.987 0.040 1.00 . A A . 7 NLE HG3 1 1 6 2618 1 1 7 NLE N N 9.674 -0.488 -0.470 1.00 . A A . 7 NLE N 1 1 6 2619 1 1 7 NLE O O 13.101 0.143 -1.587 1.00 . A A . 7 NLE O 1 1 6 2620 1 1 8 TRP C C 12.677 2.430 -3.082 1.00 . A A . 8 TRP C 1 1 6 2621 1 1 8 TRP CA C 11.698 1.394 -3.623 1.00 . A A . 8 TRP CA 1 1 6 2622 1 1 8 TRP CB C 10.597 2.086 -4.428 1.00 . A A . 8 TRP CB 1 1 6 2623 1 1 8 TRP CD1 C 9.763 -0.164 -5.329 1.00 . A A . 8 TRP CD1 1 1 6 2624 1 1 8 TRP CD2 C 8.183 1.417 -5.196 1.00 . A A . 8 TRP CD2 1 1 6 2625 1 1 8 TRP CE2 C 7.598 0.239 -5.701 1.00 . A A . 8 TRP CE2 1 1 6 2626 1 1 8 TRP CE3 C 7.381 2.549 -5.025 1.00 . A A . 8 TRP CE3 1 1 6 2627 1 1 8 TRP CG C 9.567 1.136 -4.964 1.00 . A A . 8 TRP CG 1 1 6 2628 1 1 8 TRP CH2 C 5.486 1.284 -5.858 1.00 . A A . 8 TRP CH2 1 1 6 2629 1 1 8 TRP CZ2 C 6.250 0.163 -6.035 1.00 . A A . 8 TRP CZ2 1 1 6 2630 1 1 8 TRP CZ3 C 6.041 2.470 -5.359 1.00 . A A . 8 TRP CZ3 1 1 6 2631 1 1 8 TRP H H 10.144 0.498 -2.502 1.00 . A A . 8 TRP H 1 1 6 2632 1 1 8 TRP HA H 12.234 0.716 -4.272 1.00 . A A . 8 TRP HA 1 1 6 2633 1 1 8 TRP HB2 H 10.095 2.802 -3.798 1.00 . A A . 8 TRP HB2 1 1 6 2634 1 1 8 TRP HB3 H 11.045 2.601 -5.267 1.00 . A A . 8 TRP HB3 1 1 6 2635 1 1 8 TRP HD1 H 10.711 -0.675 -5.270 1.00 . A A . 8 TRP HD1 1 1 6 2636 1 1 8 TRP HE1 H 8.466 -1.632 -6.089 1.00 . A A . 8 TRP HE1 1 1 6 2637 1 1 8 TRP HE3 H 7.788 3.471 -4.641 1.00 . A A . 8 TRP HE3 1 1 6 2638 1 1 8 TRP HH2 H 4.437 1.270 -6.106 1.00 . A A . 8 TRP HH2 1 1 6 2639 1 1 8 TRP HZ2 H 5.806 -0.743 -6.422 1.00 . A A . 8 TRP HZ2 1 1 6 2640 1 1 8 TRP HZ3 H 5.405 3.335 -5.234 1.00 . A A . 8 TRP HZ3 1 1 6 2641 1 1 8 TRP N N 11.116 0.610 -2.540 1.00 . A A . 8 TRP N 1 1 6 2642 1 1 8 TRP NE1 N 8.583 -0.710 -5.772 1.00 . A A . 8 TRP NE1 1 1 6 2643 1 1 8 TRP O O 12.746 2.660 -1.874 1.00 . A A . 8 TRP O 1 1 6 2644 1 1 9 THR C C 13.757 5.441 -3.486 1.00 . A A . 9 THR C 1 1 6 2645 1 1 9 THR CA C 14.406 4.066 -3.592 1.00 . A A . 9 THR CA 1 1 6 2646 1 1 9 THR CB C 15.572 4.137 -4.596 1.00 . A A . 9 THR CB 1 1 6 2647 1 1 9 THR CG2 C 16.504 2.946 -4.427 1.00 . A A . 9 THR CG2 1 1 6 2648 1 1 9 THR H H 13.329 2.826 -4.929 1.00 . A A . 9 THR H 1 1 6 2649 1 1 9 THR HA H 14.806 3.790 -2.626 1.00 . A A . 9 THR HA 1 1 6 2650 1 1 9 THR HB H 16.133 5.042 -4.410 1.00 . A A . 9 THR HB 1 1 6 2651 1 1 9 THR HG1 H 14.807 3.280 -6.199 1.00 . A A . 9 THR HG1 1 1 6 2652 1 1 9 THR HG21 H 17.528 3.289 -4.400 1.00 . A A . 9 THR HG21 1 1 6 2653 1 1 9 THR HG22 H 16.373 2.266 -5.258 1.00 . A A . 9 THR HG22 1 1 6 2654 1 1 9 THR HG23 H 16.272 2.435 -3.506 1.00 . A A . 9 THR HG23 1 1 6 2655 1 1 9 THR N N 13.430 3.054 -3.980 1.00 . A A . 9 THR N 1 1 6 2656 1 1 9 THR O O 14.004 6.320 -4.311 1.00 . A A . 9 THR O 1 1 6 2657 1 1 9 THR OG1 O 15.065 4.167 -5.934 1.00 . A A . 9 THR OG1 1 1 6 2658 1 1 10 CYS C C 13.165 8.066 -2.565 1.00 . A A . 10 CYS C 1 1 6 2659 1 1 10 CYS CA C 12.245 6.891 -2.249 1.00 . A A . 10 CYS CA 1 1 6 2660 1 1 10 CYS CB C 11.751 6.990 -0.802 1.00 . A A . 10 CYS CB 1 1 6 2661 1 1 10 CYS H H 12.771 4.883 -1.838 1.00 . A A . 10 CYS H 1 1 6 2662 1 1 10 CYS HA H 11.393 6.927 -2.912 1.00 . A A . 10 CYS HA 1 1 6 2663 1 1 10 CYS HB2 H 11.125 7.864 -0.703 1.00 . A A . 10 CYS HB2 1 1 6 2664 1 1 10 CYS HB3 H 11.171 6.109 -0.567 1.00 . A A . 10 CYS HB3 1 1 6 2665 1 1 10 CYS N N 12.928 5.621 -2.464 1.00 . A A . 10 CYS N 1 1 6 2666 1 1 10 CYS O O 14.312 8.106 -2.118 1.00 . A A . 10 CYS O 1 1 6 2667 1 1 10 CYS SG S 13.085 7.122 0.431 1.00 . A A . 10 CYS SG 1 1 6 2668 1 1 11 ASP C C 12.632 11.096 -4.649 1.00 . A A . 11 ASP C 1 1 6 2669 1 1 11 ASP CA C 13.430 10.196 -3.712 1.00 . A A . 11 ASP CA 1 1 6 2670 1 1 11 ASP CB C 14.742 9.777 -4.379 1.00 . A A . 11 ASP CB 1 1 6 2671 1 1 11 ASP CG C 15.957 10.152 -3.557 1.00 . A A . 11 ASP CG 1 1 6 2672 1 1 11 ASP H H 11.735 8.928 -3.661 1.00 . A A . 11 ASP H 1 1 6 2673 1 1 11 ASP HA H 13.655 10.746 -2.811 1.00 . A A . 11 ASP HA 1 1 6 2674 1 1 11 ASP HB2 H 14.742 8.705 -4.519 1.00 . A A . 11 ASP HB2 1 1 6 2675 1 1 11 ASP HB3 H 14.818 10.259 -5.341 1.00 . A A . 11 ASP HB3 1 1 6 2676 1 1 11 ASP N N 12.655 9.019 -3.337 1.00 . A A . 11 ASP N 1 1 6 2677 1 1 11 ASP O O 12.182 12.172 -4.258 1.00 . A A . 11 ASP O 1 1 6 2678 1 1 11 ASP OD1 O 17.027 10.396 -4.153 1.00 . A A . 11 ASP OD1 1 1 6 2679 1 1 11 ASP OD2 O 15.838 10.202 -2.314 1.00 . A A . 11 ASP OD2 1 1 6 2680 1 1 12 SER C C 10.330 10.831 -7.098 1.00 . A A . 12 SER C 1 1 6 2681 1 1 12 SER CA C 11.723 11.415 -6.886 1.00 . A A . 12 SER CA 1 1 6 2682 1 1 12 SER CB C 12.486 11.440 -8.211 1.00 . A A . 12 SER CB 1 1 6 2683 1 1 12 SER H H 12.846 9.781 -6.142 1.00 . A A . 12 SER H 1 1 6 2684 1 1 12 SER HA H 11.624 12.426 -6.518 1.00 . A A . 12 SER HA 1 1 6 2685 1 1 12 SER HB2 H 11.814 11.731 -9.005 1.00 . A A . 12 SER HB2 1 1 6 2686 1 1 12 SER HB3 H 13.296 12.151 -8.144 1.00 . A A . 12 SER HB3 1 1 6 2687 1 1 12 SER HG H 12.456 9.719 -9.148 1.00 . A A . 12 SER HG 1 1 6 2688 1 1 12 SER N N 12.463 10.649 -5.889 1.00 . A A . 12 SER N 1 1 6 2689 1 1 12 SER O O 9.325 11.530 -6.979 1.00 . A A . 12 SER O 1 1 6 2690 1 1 12 SER OG O 13.023 10.163 -8.513 1.00 . A A . 12 SER OG 1 1 6 2691 1 1 13 LYS C C 8.040 9.112 -6.491 1.00 . A A . 13 LYS C 1 1 6 2692 1 1 13 LYS CA C 9.011 8.858 -7.639 1.00 . A A . 13 LYS CA 1 1 6 2693 1 1 13 LYS CB C 9.240 7.353 -7.802 1.00 . A A . 13 LYS CB 1 1 6 2694 1 1 13 LYS CD C 9.863 7.287 -10.236 1.00 . A A . 13 LYS CD 1 1 6 2695 1 1 13 LYS CE C 9.185 7.499 -11.579 1.00 . A A . 13 LYS CE 1 1 6 2696 1 1 13 LYS CG C 8.872 6.826 -9.179 1.00 . A A . 13 LYS CG 1 1 6 2697 1 1 13 LYS H H 11.115 9.034 -7.491 1.00 . A A . 13 LYS H 1 1 6 2698 1 1 13 LYS HA H 8.583 9.248 -8.549 1.00 . A A . 13 LYS HA 1 1 6 2699 1 1 13 LYS HB2 H 10.283 7.139 -7.625 1.00 . A A . 13 LYS HB2 1 1 6 2700 1 1 13 LYS HB3 H 8.644 6.829 -7.068 1.00 . A A . 13 LYS HB3 1 1 6 2701 1 1 13 LYS HD2 H 10.307 8.218 -9.917 1.00 . A A . 13 LYS HD2 1 1 6 2702 1 1 13 LYS HD3 H 10.633 6.538 -10.343 1.00 . A A . 13 LYS HD3 1 1 6 2703 1 1 13 LYS HE2 H 8.441 8.275 -11.473 1.00 . A A . 13 LYS HE2 1 1 6 2704 1 1 13 LYS HE3 H 9.930 7.811 -12.298 1.00 . A A . 13 LYS HE3 1 1 6 2705 1 1 13 LYS HG2 H 8.867 5.747 -9.153 1.00 . A A . 13 LYS HG2 1 1 6 2706 1 1 13 LYS HG3 H 7.887 7.188 -9.441 1.00 . A A . 13 LYS HG3 1 1 6 2707 1 1 13 LYS HZ1 H 8.999 5.421 -11.673 1.00 . A A . 13 LYS HZ1 1 1 6 2708 1 1 13 LYS HZ2 H 8.582 6.211 -13.109 1.00 . A A . 13 LYS HZ2 1 1 6 2709 1 1 13 LYS HZ3 H 7.528 6.247 -11.786 1.00 . A A . 13 LYS HZ3 1 1 6 2710 1 1 13 LYS N N 10.279 9.540 -7.412 1.00 . A A . 13 LYS N 1 1 6 2711 1 1 13 LYS NZ N 8.526 6.257 -12.071 1.00 . A A . 13 LYS NZ 1 1 6 2712 1 1 13 LYS O O 6.900 9.525 -6.708 1.00 . A A . 13 LYS O 1 1 6 2713 1 1 14 ARG C C 6.334 8.357 -4.228 1.00 . A A . 14 ARG C 1 1 6 2714 1 1 14 ARG CA C 7.673 9.073 -4.084 1.00 . A A . 14 ARG CA 1 1 6 2715 1 1 14 ARG CB C 7.443 10.568 -3.850 1.00 . A A . 14 ARG CB 1 1 6 2716 1 1 14 ARG CD C 7.764 12.542 -2.329 1.00 . A A . 14 ARG CD 1 1 6 2717 1 1 14 ARG CG C 7.806 11.026 -2.448 1.00 . A A . 14 ARG CG 1 1 6 2718 1 1 14 ARG CZ C 9.345 14.392 -1.973 1.00 . A A . 14 ARG CZ 1 1 6 2719 1 1 14 ARG H H 9.419 8.542 -5.159 1.00 . A A . 14 ARG H 1 1 6 2720 1 1 14 ARG HA H 8.200 8.662 -3.236 1.00 . A A . 14 ARG HA 1 1 6 2721 1 1 14 ARG HB2 H 8.041 11.127 -4.553 1.00 . A A . 14 ARG HB2 1 1 6 2722 1 1 14 ARG HB3 H 6.400 10.788 -4.019 1.00 . A A . 14 ARG HB3 1 1 6 2723 1 1 14 ARG HD2 H 7.236 12.942 -3.181 1.00 . A A . 14 ARG HD2 1 1 6 2724 1 1 14 ARG HD3 H 7.240 12.805 -1.424 1.00 . A A . 14 ARG HD3 1 1 6 2725 1 1 14 ARG HE H 9.860 12.540 -2.505 1.00 . A A . 14 ARG HE 1 1 6 2726 1 1 14 ARG HG2 H 7.101 10.604 -1.746 1.00 . A A . 14 ARG HG2 1 1 6 2727 1 1 14 ARG HG3 H 8.801 10.683 -2.213 1.00 . A A . 14 ARG HG3 1 1 6 2728 1 1 14 ARG HH11 H 7.402 14.866 -1.684 1.00 . A A . 14 ARG HH11 1 1 6 2729 1 1 14 ARG HH12 H 8.526 16.160 -1.436 1.00 . A A . 14 ARG HH12 1 1 6 2730 1 1 14 ARG HH21 H 11.350 14.236 -2.183 1.00 . A A . 14 ARG HH21 1 1 6 2731 1 1 14 ARG HH22 H 10.770 15.802 -1.720 1.00 . A A . 14 ARG HH22 1 1 6 2732 1 1 14 ARG N N 8.501 8.868 -5.268 1.00 . A A . 14 ARG N 1 1 6 2733 1 1 14 ARG NE N 9.103 13.125 -2.289 1.00 . A A . 14 ARG NE 1 1 6 2734 1 1 14 ARG NH1 N 8.342 15.207 -1.675 1.00 . A A . 14 ARG NH1 1 1 6 2735 1 1 14 ARG NH2 N 10.592 14.848 -1.958 1.00 . A A . 14 ARG NH2 1 1 6 2736 1 1 14 ARG O O 5.302 8.855 -3.782 1.00 . A A . 14 ARG O 1 1 6 2737 1 1 15 ALA C C 4.884 5.483 -3.863 1.00 . A A . 15 ALA C 1 1 6 2738 1 1 15 ALA CA C 5.149 6.400 -5.054 1.00 . A A . 15 ALA CA 1 1 6 2739 1 1 15 ALA CB C 5.255 5.585 -6.334 1.00 . A A . 15 ALA CB 1 1 6 2740 1 1 15 ALA H H 7.214 6.840 -5.187 1.00 . A A . 15 ALA H 1 1 6 2741 1 1 15 ALA HA H 4.320 7.085 -5.160 1.00 . A A . 15 ALA HA 1 1 6 2742 1 1 15 ALA HB1 H 5.383 6.251 -7.176 1.00 . A A . 15 ALA HB1 1 1 6 2743 1 1 15 ALA HB2 H 6.101 4.920 -6.269 1.00 . A A . 15 ALA HB2 1 1 6 2744 1 1 15 ALA HB3 H 4.351 5.006 -6.469 1.00 . A A . 15 ALA HB3 1 1 6 2745 1 1 15 ALA N N 6.360 7.184 -4.854 1.00 . A A . 15 ALA N 1 1 6 2746 1 1 15 ALA O O 4.024 4.605 -3.921 1.00 . A A . 15 ALA O 1 1 6 2747 1 1 16 CYS C C 4.206 5.269 -0.827 1.00 . A A . 16 CYS C 1 1 6 2748 1 1 16 CYS CA C 5.480 4.888 -1.579 1.00 . A A . 16 CYS CA 1 1 6 2749 1 1 16 CYS CB C 6.695 5.062 -0.665 1.00 . A A . 16 CYS CB 1 1 6 2750 1 1 16 CYS H H 6.301 6.412 -2.798 1.00 . A A . 16 CYS H 1 1 6 2751 1 1 16 CYS HA H 5.410 3.854 -1.879 1.00 . A A . 16 CYS HA 1 1 6 2752 1 1 16 CYS HB2 H 6.928 6.114 -0.587 1.00 . A A . 16 CYS HB2 1 1 6 2753 1 1 16 CYS HB3 H 6.459 4.676 0.314 1.00 . A A . 16 CYS HB3 1 1 6 2754 1 1 16 CYS N N 5.630 5.696 -2.783 1.00 . A A . 16 CYS N 1 1 6 2755 1 1 16 CYS O O 3.356 5.990 -1.348 1.00 . A A . 16 CYS O 1 1 6 2756 1 1 16 CYS SG S 8.193 4.208 -1.254 1.00 . A A . 16 CYS SG 1 1 6 2757 1 1 17 CYS C C 3.241 6.121 2.280 1.00 . A A . 17 CYS C 1 1 6 2758 1 1 17 CYS CA C 2.916 5.066 1.228 1.00 . A A . 17 CYS CA 1 1 6 2759 1 1 17 CYS CB C 2.419 3.788 1.907 1.00 . A A . 17 CYS CB 1 1 6 2760 1 1 17 CYS H H 4.795 4.210 0.765 1.00 . A A . 17 CYS H 1 1 6 2761 1 1 17 CYS HA H 2.139 5.446 0.583 1.00 . A A . 17 CYS HA 1 1 6 2762 1 1 17 CYS HB2 H 2.085 4.027 2.905 1.00 . A A . 17 CYS HB2 1 1 6 2763 1 1 17 CYS HB3 H 1.589 3.389 1.341 1.00 . A A . 17 CYS HB3 1 1 6 2764 1 1 17 CYS N N 4.082 4.779 0.403 1.00 . A A . 17 CYS N 1 1 6 2765 1 1 17 CYS O O 2.933 7.300 2.108 1.00 . A A . 17 CYS O 1 1 6 2766 1 1 17 CYS SG S 3.678 2.480 2.043 1.00 . A A . 17 CYS SG 1 1 6 2767 1 1 18 GLU C C 5.650 6.322 4.937 1.00 . A A . 18 GLU C 1 1 6 2768 1 1 18 GLU CA C 4.229 6.594 4.454 1.00 . A A . 18 GLU CA 1 1 6 2769 1 1 18 GLU CB C 3.247 6.458 5.619 1.00 . A A . 18 GLU CB 1 1 6 2770 1 1 18 GLU CD C 1.353 7.958 6.354 1.00 . A A . 18 GLU CD 1 1 6 2771 1 1 18 GLU CG C 2.856 7.785 6.245 1.00 . A A . 18 GLU CG 1 1 6 2772 1 1 18 GLU H H 4.081 4.737 3.452 1.00 . A A . 18 GLU H 1 1 6 2773 1 1 18 GLU HA H 4.180 7.603 4.071 1.00 . A A . 18 GLU HA 1 1 6 2774 1 1 18 GLU HB2 H 2.350 5.972 5.263 1.00 . A A . 18 GLU HB2 1 1 6 2775 1 1 18 GLU HB3 H 3.698 5.842 6.383 1.00 . A A . 18 GLU HB3 1 1 6 2776 1 1 18 GLU HG2 H 3.282 7.842 7.235 1.00 . A A . 18 GLU HG2 1 1 6 2777 1 1 18 GLU HG3 H 3.252 8.585 5.638 1.00 . A A . 18 GLU HG3 1 1 6 2778 1 1 18 GLU N N 3.864 5.688 3.373 1.00 . A A . 18 GLU N 1 1 6 2779 1 1 18 GLU O O 5.965 6.510 6.111 1.00 . A A . 18 GLU O 1 1 6 2780 1 1 18 GLU OE1 O 0.674 6.992 6.758 1.00 . A A . 18 GLU OE1 1 1 6 2781 1 1 18 GLU OE2 O 0.858 9.059 6.036 1.00 . A A . 18 GLU OE2 1 1 6 2782 1 1 19 GLY C C 8.870 6.176 3.392 1.00 . A A . 19 GLY C 1 1 6 2783 1 1 19 GLY CA C 7.882 5.579 4.374 1.00 . A A . 19 GLY CA 1 1 6 2784 1 1 19 GLY H H 6.197 5.740 3.099 1.00 . A A . 19 GLY H 1 1 6 2785 1 1 19 GLY HA2 H 8.082 5.973 5.357 1.00 . A A . 19 GLY HA2 1 1 6 2786 1 1 19 GLY HA3 H 8.015 4.506 4.391 1.00 . A A . 19 GLY HA3 1 1 6 2787 1 1 19 GLY N N 6.504 5.873 4.022 1.00 . A A . 19 GLY N 1 1 6 2788 1 1 19 GLY O O 10.065 5.886 3.449 1.00 . A A . 19 GLY O 1 1 6 2789 1 1 20 LEU C C 10.122 8.704 2.133 1.00 . A A . 20 LEU C 1 1 6 2790 1 1 20 LEU CA C 9.220 7.655 1.490 1.00 . A A . 20 LEU CA 1 1 6 2791 1 1 20 LEU CB C 8.361 8.300 0.400 1.00 . A A . 20 LEU CB 1 1 6 2792 1 1 20 LEU CD1 C 5.970 7.881 1.023 1.00 . A A . 20 LEU CD1 1 1 6 2793 1 1 20 LEU CD2 C 7.260 9.683 2.178 1.00 . A A . 20 LEU CD2 1 1 6 2794 1 1 20 LEU CG C 7.051 8.936 0.868 1.00 . A A . 20 LEU CG 1 1 6 2795 1 1 20 LEU H H 7.412 7.207 2.493 1.00 . A A . 20 LEU H 1 1 6 2796 1 1 20 LEU HA H 9.840 6.892 1.042 1.00 . A A . 20 LEU HA 1 1 6 2797 1 1 20 LEU HB2 H 8.951 9.067 -0.073 1.00 . A A . 20 LEU HB2 1 1 6 2798 1 1 20 LEU HB3 H 8.118 7.536 -0.323 1.00 . A A . 20 LEU HB3 1 1 6 2799 1 1 20 LEU HD11 H 5.294 7.930 0.181 1.00 . A A . 20 LEU HD11 1 1 6 2800 1 1 20 LEU HD12 H 5.421 8.057 1.936 1.00 . A A . 20 LEU HD12 1 1 6 2801 1 1 20 LEU HD13 H 6.426 6.900 1.063 1.00 . A A . 20 LEU HD13 1 1 6 2802 1 1 20 LEU HD21 H 8.220 10.179 2.160 1.00 . A A . 20 LEU HD21 1 1 6 2803 1 1 20 LEU HD22 H 7.231 8.984 3.000 1.00 . A A . 20 LEU HD22 1 1 6 2804 1 1 20 LEU HD23 H 6.478 10.418 2.301 1.00 . A A . 20 LEU HD23 1 1 6 2805 1 1 20 LEU HG H 6.720 9.648 0.126 1.00 . A A . 20 LEU HG 1 1 6 2806 1 1 20 LEU N N 8.373 7.014 2.490 1.00 . A A . 20 LEU N 1 1 6 2807 1 1 20 LEU O O 10.981 9.286 1.471 1.00 . A A . 20 LEU O 1 1 6 2808 1 1 21 ARG C C 12.105 9.370 4.461 1.00 . A A . 21 ARG C 1 1 6 2809 1 1 21 ARG CA C 10.713 9.918 4.156 1.00 . A A . 21 ARG CA 1 1 6 2810 1 1 21 ARG CB C 10.009 10.306 5.458 1.00 . A A . 21 ARG CB 1 1 6 2811 1 1 21 ARG CD C 10.094 9.513 7.843 1.00 . A A . 21 ARG CD 1 1 6 2812 1 1 21 ARG CG C 9.787 9.136 6.402 1.00 . A A . 21 ARG CG 1 1 6 2813 1 1 21 ARG CZ C 10.614 8.403 9.972 1.00 . A A . 21 ARG CZ 1 1 6 2814 1 1 21 ARG H H 9.220 8.442 3.897 1.00 . A A . 21 ARG H 1 1 6 2815 1 1 21 ARG HA H 10.813 10.795 3.536 1.00 . A A . 21 ARG HA 1 1 6 2816 1 1 21 ARG HB2 H 10.610 11.043 5.971 1.00 . A A . 21 ARG HB2 1 1 6 2817 1 1 21 ARG HB3 H 9.051 10.737 5.220 1.00 . A A . 21 ARG HB3 1 1 6 2818 1 1 21 ARG HD2 H 10.954 10.167 7.852 1.00 . A A . 21 ARG HD2 1 1 6 2819 1 1 21 ARG HD3 H 9.242 10.034 8.254 1.00 . A A . 21 ARG HD3 1 1 6 2820 1 1 21 ARG HE H 10.397 7.470 8.224 1.00 . A A . 21 ARG HE 1 1 6 2821 1 1 21 ARG HG2 H 8.754 8.826 6.337 1.00 . A A . 21 ARG HG2 1 1 6 2822 1 1 21 ARG HG3 H 10.428 8.319 6.107 1.00 . A A . 21 ARG HG3 1 1 6 2823 1 1 21 ARG HH11 H 10.409 10.409 10.088 1.00 . A A . 21 ARG HH11 1 1 6 2824 1 1 21 ARG HH12 H 10.775 9.614 11.582 1.00 . A A . 21 ARG HH12 1 1 6 2825 1 1 21 ARG HH21 H 10.881 6.412 10.186 1.00 . A A . 21 ARG HH21 1 1 6 2826 1 1 21 ARG HH22 H 11.045 7.341 11.638 1.00 . A A . 21 ARG HH22 1 1 6 2827 1 1 21 ARG N N 9.919 8.939 3.424 1.00 . A A . 21 ARG N 1 1 6 2828 1 1 21 ARG NE N 10.380 8.343 8.667 1.00 . A A . 21 ARG NE 1 1 6 2829 1 1 21 ARG NH1 N 10.599 9.572 10.599 1.00 . A A . 21 ARG NH1 1 1 6 2830 1 1 21 ARG NH2 N 10.868 7.294 10.655 1.00 . A A . 21 ARG NH2 1 1 6 2831 1 1 21 ARG O O 12.539 9.352 5.614 1.00 . A A . 21 ARG O 1 1 6 2832 1 1 22 CYS C C 15.019 8.735 2.379 1.00 . A A . 22 CYS C 1 1 6 2833 1 1 22 CYS CA C 14.140 8.374 3.575 1.00 . A A . 22 CYS CA 1 1 6 2834 1 1 22 CYS CB C 14.079 6.855 3.734 1.00 . A A . 22 CYS CB 1 1 6 2835 1 1 22 CYS H H 12.400 8.964 2.525 1.00 . A A . 22 CYS H 1 1 6 2836 1 1 22 CYS HA H 14.575 8.801 4.466 1.00 . A A . 22 CYS HA 1 1 6 2837 1 1 22 CYS HB2 H 15.043 6.492 4.061 1.00 . A A . 22 CYS HB2 1 1 6 2838 1 1 22 CYS HB3 H 13.336 6.608 4.479 1.00 . A A . 22 CYS HB3 1 1 6 2839 1 1 22 CYS N N 12.800 8.923 3.421 1.00 . A A . 22 CYS N 1 1 6 2840 1 1 22 CYS O O 14.735 9.687 1.653 1.00 . A A . 22 CYS O 1 1 6 2841 1 1 22 CYS SG S 13.645 5.964 2.205 1.00 . A A . 22 CYS SG 1 1 6 2842 1 1 23 LYS C C 16.709 7.268 -0.087 1.00 . A A . 23 LYS C 1 1 6 2843 1 1 23 LYS CA C 17.007 8.206 1.078 1.00 . A A . 23 LYS CA 1 1 6 2844 1 1 23 LYS CB C 18.453 8.020 1.540 1.00 . A A . 23 LYS CB 1 1 6 2845 1 1 23 LYS CD C 18.867 10.289 2.532 1.00 . A A . 23 LYS CD 1 1 6 2846 1 1 23 LYS CE C 17.890 11.062 3.407 1.00 . A A . 23 LYS CE 1 1 6 2847 1 1 23 LYS CG C 18.794 8.796 2.800 1.00 . A A . 23 LYS CG 1 1 6 2848 1 1 23 LYS H H 16.261 7.226 2.798 1.00 . A A . 23 LYS H 1 1 6 2849 1 1 23 LYS HA H 16.871 9.226 0.746 1.00 . A A . 23 LYS HA 1 1 6 2850 1 1 23 LYS HB2 H 18.624 6.970 1.730 1.00 . A A . 23 LYS HB2 1 1 6 2851 1 1 23 LYS HB3 H 19.115 8.346 0.750 1.00 . A A . 23 LYS HB3 1 1 6 2852 1 1 23 LYS HD2 H 19.869 10.637 2.738 1.00 . A A . 23 LYS HD2 1 1 6 2853 1 1 23 LYS HD3 H 18.627 10.473 1.493 1.00 . A A . 23 LYS HD3 1 1 6 2854 1 1 23 LYS HE2 H 18.027 12.119 3.231 1.00 . A A . 23 LYS HE2 1 1 6 2855 1 1 23 LYS HE3 H 16.884 10.778 3.136 1.00 . A A . 23 LYS HE3 1 1 6 2856 1 1 23 LYS HG2 H 18.032 8.610 3.543 1.00 . A A . 23 LYS HG2 1 1 6 2857 1 1 23 LYS HG3 H 19.750 8.459 3.172 1.00 . A A . 23 LYS HG3 1 1 6 2858 1 1 23 LYS HZ1 H 17.397 10.091 5.189 1.00 . A A . 23 LYS HZ1 1 1 6 2859 1 1 23 LYS HZ2 H 18.003 11.655 5.408 1.00 . A A . 23 LYS HZ2 1 1 6 2860 1 1 23 LYS HZ3 H 19.053 10.390 5.008 1.00 . A A . 23 LYS HZ3 1 1 6 2861 1 1 23 LYS N N 16.087 7.970 2.183 1.00 . A A . 23 LYS N 1 1 6 2862 1 1 23 LYS NZ N 18.101 10.780 4.855 1.00 . A A . 23 LYS NZ 1 1 6 2863 1 1 23 LYS O O 16.703 7.683 -1.247 1.00 . A A . 23 LYS O 1 1 6 2864 1 1 24 LEU C C 14.997 4.115 -0.362 1.00 . A A . 24 LEU C 1 1 6 2865 1 1 24 LEU CA C 16.160 5.004 -0.794 1.00 . A A . 24 LEU CA 1 1 6 2866 1 1 24 LEU CB C 17.395 4.145 -1.076 1.00 . A A . 24 LEU CB 1 1 6 2867 1 1 24 LEU CD1 C 18.950 5.963 -1.827 1.00 . A A . 24 LEU CD1 1 1 6 2868 1 1 24 LEU CD2 C 19.376 3.594 -2.506 1.00 . A A . 24 LEU CD2 1 1 6 2869 1 1 24 LEU CG C 18.309 4.634 -2.198 1.00 . A A . 24 LEU CG 1 1 6 2870 1 1 24 LEU H H 16.480 5.731 1.168 1.00 . A A . 24 LEU H 1 1 6 2871 1 1 24 LEU HA H 15.882 5.527 -1.696 1.00 . A A . 24 LEU HA 1 1 6 2872 1 1 24 LEU HB2 H 17.979 4.099 -0.168 1.00 . A A . 24 LEU HB2 1 1 6 2873 1 1 24 LEU HB3 H 17.054 3.152 -1.332 1.00 . A A . 24 LEU HB3 1 1 6 2874 1 1 24 LEU HD11 H 18.475 6.758 -2.377 1.00 . A A . 24 LEU HD11 1 1 6 2875 1 1 24 LEU HD12 H 20.003 5.935 -2.068 1.00 . A A . 24 LEU HD12 1 1 6 2876 1 1 24 LEU HD13 H 18.830 6.135 -0.767 1.00 . A A . 24 LEU HD13 1 1 6 2877 1 1 24 LEU HD21 H 18.905 2.694 -2.875 1.00 . A A . 24 LEU HD21 1 1 6 2878 1 1 24 LEU HD22 H 19.930 3.367 -1.608 1.00 . A A . 24 LEU HD22 1 1 6 2879 1 1 24 LEU HD23 H 20.049 3.981 -3.258 1.00 . A A . 24 LEU HD23 1 1 6 2880 1 1 24 LEU HG H 17.721 4.786 -3.092 1.00 . A A . 24 LEU HG 1 1 6 2881 1 1 24 LEU N N 16.461 6.001 0.227 1.00 . A A . 24 LEU N 1 1 6 2882 1 1 24 LEU O O 13.834 4.452 -0.577 1.00 . A A . 24 LEU O 1 1 6 2883 1 1 25 TRP C C 13.387 2.705 1.744 1.00 . A A . 25 TRP C 1 1 6 2884 1 1 25 TRP CA C 14.303 2.048 0.717 1.00 . A A . 25 TRP CA 1 1 6 2885 1 1 25 TRP CB C 14.958 0.807 1.321 1.00 . A A . 25 TRP CB 1 1 6 2886 1 1 25 TRP CD1 C 13.232 -0.098 2.984 1.00 . A A . 25 TRP CD1 1 1 6 2887 1 1 25 TRP CD2 C 15.109 0.668 3.934 1.00 . A A . 25 TRP CD2 1 1 6 2888 1 1 25 TRP CE2 C 14.250 0.202 4.948 1.00 . A A . 25 TRP CE2 1 1 6 2889 1 1 25 TRP CE3 C 16.353 1.195 4.294 1.00 . A A . 25 TRP CE3 1 1 6 2890 1 1 25 TRP CG C 14.439 0.465 2.685 1.00 . A A . 25 TRP CG 1 1 6 2891 1 1 25 TRP CH2 C 15.819 0.772 6.620 1.00 . A A . 25 TRP CH2 1 1 6 2892 1 1 25 TRP CZ2 C 14.596 0.251 6.297 1.00 . A A . 25 TRP CZ2 1 1 6 2893 1 1 25 TRP CZ3 C 16.695 1.241 5.633 1.00 . A A . 25 TRP CZ3 1 1 6 2894 1 1 25 TRP H H 16.268 2.770 0.395 1.00 . A A . 25 TRP H 1 1 6 2895 1 1 25 TRP HA H 13.712 1.752 -0.138 1.00 . A A . 25 TRP HA 1 1 6 2896 1 1 25 TRP HB2 H 14.780 -0.040 0.677 1.00 . A A . 25 TRP HB2 1 1 6 2897 1 1 25 TRP HB3 H 16.023 0.976 1.404 1.00 . A A . 25 TRP HB3 1 1 6 2898 1 1 25 TRP HD1 H 12.490 -0.372 2.250 1.00 . A A . 25 TRP HD1 1 1 6 2899 1 1 25 TRP HE1 H 12.336 -0.644 4.805 1.00 . A A . 25 TRP HE1 1 1 6 2900 1 1 25 TRP HE3 H 17.042 1.562 3.547 1.00 . A A . 25 TRP HE3 1 1 6 2901 1 1 25 TRP HH2 H 16.126 0.828 7.653 1.00 . A A . 25 TRP HH2 1 1 6 2902 1 1 25 TRP HZ2 H 13.932 -0.109 7.071 1.00 . A A . 25 TRP HZ2 1 1 6 2903 1 1 25 TRP HZ3 H 17.650 1.647 5.929 1.00 . A A . 25 TRP HZ3 1 1 6 2904 1 1 25 TRP N N 15.320 2.983 0.252 1.00 . A A . 25 TRP N 1 1 6 2905 1 1 25 TRP NE1 N 13.112 -0.259 4.344 1.00 . A A . 25 TRP NE1 1 1 6 2906 1 1 25 TRP O O 13.791 2.956 2.879 1.00 . A A . 25 TRP O 1 1 6 2907 1 1 26 CYS C C 11.303 3.068 3.640 1.00 . A A . 26 CYS C 1 1 6 2908 1 1 26 CYS CA C 11.178 3.612 2.219 1.00 . A A . 26 CYS CA 1 1 6 2909 1 1 26 CYS CB C 9.760 3.381 1.697 1.00 . A A . 26 CYS CB 1 1 6 2910 1 1 26 CYS H H 11.889 2.759 0.419 1.00 . A A . 26 CYS H 1 1 6 2911 1 1 26 CYS HA H 11.379 4.672 2.233 1.00 . A A . 26 CYS HA 1 1 6 2912 1 1 26 CYS HB2 H 9.650 2.340 1.425 1.00 . A A . 26 CYS HB2 1 1 6 2913 1 1 26 CYS HB3 H 9.053 3.620 2.477 1.00 . A A . 26 CYS HB3 1 1 6 2914 1 1 26 CYS N N 12.153 2.982 1.336 1.00 . A A . 26 CYS N 1 1 6 2915 1 1 26 CYS O O 11.333 1.856 3.854 1.00 . A A . 26 CYS O 1 1 6 2916 1 1 26 CYS SG S 9.333 4.383 0.237 1.00 . A A . 26 CYS SG 1 1 6 2917 1 1 27 ARG C C 10.126 3.329 6.625 1.00 . A A . 27 ARG C 1 1 6 2918 1 1 27 ARG CA C 11.498 3.588 6.011 1.00 . A A . 27 ARG CA 1 1 6 2919 1 1 27 ARG CB C 12.225 4.676 6.801 1.00 . A A . 27 ARG CB 1 1 6 2920 1 1 27 ARG CD C 14.387 5.923 7.108 1.00 . A A . 27 ARG CD 1 1 6 2921 1 1 27 ARG CG C 13.739 4.621 6.665 1.00 . A A . 27 ARG CG 1 1 6 2922 1 1 27 ARG CZ C 15.892 5.323 8.957 1.00 . A A . 27 ARG CZ 1 1 6 2923 1 1 27 ARG H H 11.348 4.926 4.378 1.00 . A A . 27 ARG H 1 1 6 2924 1 1 27 ARG HA H 12.077 2.677 6.053 1.00 . A A . 27 ARG HA 1 1 6 2925 1 1 27 ARG HB2 H 11.891 5.642 6.453 1.00 . A A . 27 ARG HB2 1 1 6 2926 1 1 27 ARG HB3 H 11.975 4.574 7.846 1.00 . A A . 27 ARG HB3 1 1 6 2927 1 1 27 ARG HD2 H 15.266 6.094 6.507 1.00 . A A . 27 ARG HD2 1 1 6 2928 1 1 27 ARG HD3 H 13.684 6.730 6.955 1.00 . A A . 27 ARG HD3 1 1 6 2929 1 1 27 ARG HE H 14.172 6.316 9.161 1.00 . A A . 27 ARG HE 1 1 6 2930 1 1 27 ARG HG2 H 14.116 3.817 7.280 1.00 . A A . 27 ARG HG2 1 1 6 2931 1 1 27 ARG HG3 H 13.991 4.434 5.632 1.00 . A A . 27 ARG HG3 1 1 6 2932 1 1 27 ARG HH11 H 16.514 4.731 7.130 1.00 . A A . 27 ARG HH11 1 1 6 2933 1 1 27 ARG HH12 H 17.565 4.315 8.442 1.00 . A A . 27 ARG HH12 1 1 6 2934 1 1 27 ARG HH21 H 15.548 5.773 10.899 1.00 . A A . 27 ARG HH21 1 1 6 2935 1 1 27 ARG HH22 H 17.014 4.906 10.587 1.00 . A A . 27 ARG HH22 1 1 6 2936 1 1 27 ARG N N 11.377 3.975 4.609 1.00 . A A . 27 ARG N 1 1 6 2937 1 1 27 ARG NE N 14.776 5.892 8.516 1.00 . A A . 27 ARG NE 1 1 6 2938 1 1 27 ARG NH1 N 16.725 4.742 8.107 1.00 . A A . 27 ARG NH1 1 1 6 2939 1 1 27 ARG NH2 N 16.175 5.335 10.255 1.00 . A A . 27 ARG NH2 1 1 6 2940 1 1 27 ARG O O 9.916 3.547 7.819 1.00 . A A . 27 ARG O 1 1 6 2941 1 1 28 LYS C C 7.840 1.404 7.243 1.00 . A A . 28 LYS C 1 1 6 2942 1 1 28 LYS CA C 7.841 2.572 6.263 1.00 . A A . 28 LYS CA 1 1 6 2943 1 1 28 LYS CB C 6.932 2.254 5.073 1.00 . A A . 28 LYS CB 1 1 6 2944 1 1 28 LYS CD C 4.482 2.293 5.621 1.00 . A A . 28 LYS CD 1 1 6 2945 1 1 28 LYS CE C 3.192 3.096 5.550 1.00 . A A . 28 LYS CE 1 1 6 2946 1 1 28 LYS CG C 5.653 3.073 5.049 1.00 . A A . 28 LYS CG 1 1 6 2947 1 1 28 LYS H H 9.421 2.709 4.860 1.00 . A A . 28 LYS H 1 1 6 2948 1 1 28 LYS HA H 7.466 3.451 6.767 1.00 . A A . 28 LYS HA 1 1 6 2949 1 1 28 LYS HB2 H 7.474 2.448 4.158 1.00 . A A . 28 LYS HB2 1 1 6 2950 1 1 28 LYS HB3 H 6.664 1.208 5.108 1.00 . A A . 28 LYS HB3 1 1 6 2951 1 1 28 LYS HD2 H 4.358 1.382 5.056 1.00 . A A . 28 LYS HD2 1 1 6 2952 1 1 28 LYS HD3 H 4.689 2.052 6.653 1.00 . A A . 28 LYS HD3 1 1 6 2953 1 1 28 LYS HE2 H 3.249 3.910 6.255 1.00 . A A . 28 LYS HE2 1 1 6 2954 1 1 28 LYS HE3 H 3.082 3.490 4.550 1.00 . A A . 28 LYS HE3 1 1 6 2955 1 1 28 LYS HG2 H 5.797 3.968 5.637 1.00 . A A . 28 LYS HG2 1 1 6 2956 1 1 28 LYS HG3 H 5.429 3.345 4.027 1.00 . A A . 28 LYS HG3 1 1 6 2957 1 1 28 LYS HZ1 H 1.193 2.547 5.283 1.00 . A A . 28 LYS HZ1 1 1 6 2958 1 1 28 LYS HZ2 H 1.744 2.376 6.873 1.00 . A A . 28 LYS HZ2 1 1 6 2959 1 1 28 LYS HZ3 H 2.208 1.257 5.693 1.00 . A A . 28 LYS HZ3 1 1 6 2960 1 1 28 LYS N N 9.194 2.864 5.801 1.00 . A A . 28 LYS N 1 1 6 2961 1 1 28 LYS NZ N 2.001 2.260 5.872 1.00 . A A . 28 LYS NZ 1 1 6 2962 1 1 28 LYS O O 8.774 1.239 8.027 1.00 . A A . 28 LYS O 1 1 6 2963 1 1 29 ILE C C 7.877 -1.472 7.954 1.00 . A A . 29 ILE C 1 1 6 2964 1 1 29 ILE CA C 6.664 -0.556 8.074 1.00 . A A . 29 ILE CA 1 1 6 2965 1 1 29 ILE CB C 5.390 -1.369 7.769 1.00 . A A . 29 ILE CB 1 1 6 2966 1 1 29 ILE CD1 C 5.803 -1.313 5.258 1.00 . A A . 29 ILE CD1 1 1 6 2967 1 1 29 ILE CG1 C 5.569 -2.173 6.480 1.00 . A A . 29 ILE CG1 1 1 6 2968 1 1 29 ILE CG2 C 4.187 -0.444 7.660 1.00 . A A . 29 ILE CG2 1 1 6 2969 1 1 29 ILE H H 6.074 0.782 6.545 1.00 . A A . 29 ILE H 1 1 6 2970 1 1 29 ILE HA H 6.600 -0.194 9.090 1.00 . A A . 29 ILE HA 1 1 6 2971 1 1 29 ILE HB H 5.220 -2.049 8.589 1.00 . A A . 29 ILE HB 1 1 6 2972 1 1 29 ILE HD11 H 6.847 -1.041 5.204 1.00 . A A . 29 ILE HD11 1 1 6 2973 1 1 29 ILE HD12 H 5.526 -1.862 4.372 1.00 . A A . 29 ILE HD12 1 1 6 2974 1 1 29 ILE HD13 H 5.203 -0.417 5.328 1.00 . A A . 29 ILE HD13 1 1 6 2975 1 1 29 ILE HG12 H 6.417 -2.831 6.588 1.00 . A A . 29 ILE HG12 1 1 6 2976 1 1 29 ILE HG13 H 4.682 -2.763 6.307 1.00 . A A . 29 ILE HG13 1 1 6 2977 1 1 29 ILE HG21 H 3.802 -0.471 6.651 1.00 . A A . 29 ILE HG21 1 1 6 2978 1 1 29 ILE HG22 H 3.420 -0.771 8.345 1.00 . A A . 29 ILE HG22 1 1 6 2979 1 1 29 ILE HG23 H 4.483 0.564 7.906 1.00 . A A . 29 ILE HG23 1 1 6 2980 1 1 29 ILE N N 6.785 0.596 7.192 1.00 . A A . 29 ILE N 1 1 6 2981 1 1 29 ILE O O 8.134 -2.300 8.826 1.00 . A A . 29 ILE O 1 1 6 2982 1 1 30 ILE C C 9.445 -3.584 6.387 1.00 . A A . 30 ILE C 1 1 6 2983 1 1 30 ILE CA C 9.812 -2.123 6.631 1.00 . A A . 30 ILE CA 1 1 6 2984 1 1 30 ILE CB C 10.793 -2.044 7.816 1.00 . A A . 30 ILE CB 1 1 6 2985 1 1 30 ILE CD1 C 11.224 0.348 7.061 1.00 . A A . 30 ILE CD1 1 1 6 2986 1 1 30 ILE CG1 C 11.006 -0.587 8.230 1.00 . A A . 30 ILE CG1 1 1 6 2987 1 1 30 ILE CG2 C 12.117 -2.698 7.455 1.00 . A A . 30 ILE CG2 1 1 6 2988 1 1 30 ILE H H 8.369 -0.638 6.203 1.00 . A A . 30 ILE H 1 1 6 2989 1 1 30 ILE HA H 10.310 -1.739 5.752 1.00 . A A . 30 ILE HA 1 1 6 2990 1 1 30 ILE HB H 10.364 -2.588 8.644 1.00 . A A . 30 ILE HB 1 1 6 2991 1 1 30 ILE HD11 H 10.341 0.361 6.440 1.00 . A A . 30 ILE HD11 1 1 6 2992 1 1 30 ILE HD12 H 11.422 1.344 7.429 1.00 . A A . 30 ILE HD12 1 1 6 2993 1 1 30 ILE HD13 H 12.068 0.006 6.479 1.00 . A A . 30 ILE HD13 1 1 6 2994 1 1 30 ILE HG12 H 10.139 -0.243 8.773 1.00 . A A . 30 ILE HG12 1 1 6 2995 1 1 30 ILE HG13 H 11.874 -0.528 8.872 1.00 . A A . 30 ILE HG13 1 1 6 2996 1 1 30 ILE HG21 H 12.438 -2.347 6.486 1.00 . A A . 30 ILE HG21 1 1 6 2997 1 1 30 ILE HG22 H 12.858 -2.440 8.196 1.00 . A A . 30 ILE HG22 1 1 6 2998 1 1 30 ILE HG23 H 11.993 -3.770 7.426 1.00 . A A . 30 ILE HG23 1 1 6 2999 1 1 30 ILE N N 8.623 -1.313 6.864 1.00 . A A . 30 ILE N 1 1 6 3000 1 1 30 ILE O O 9.491 -4.407 7.301 1.00 . A A . 30 ILE O 1 1 7 3001 1 1 1 ARG C C -0.068 -3.755 5.213 1.00 . A A . 1 ARG C 1 1 7 3002 1 1 1 ARG CA C 0.060 -3.659 6.721 1.00 . A A . 1 ARG CA 1 1 7 3003 1 1 1 ARG H1 H 1.918 -3.313 7.675 1.00 . A A . 1 ARG H1 1 1 7 3004 1 1 1 ARG HA H 0.137 -4.656 7.128 1.00 . A A . 1 ARG HA 1 1 7 3005 1 1 1 ARG N N 1.220 -2.890 7.132 1.00 . A A . 1 ARG N 1 1 7 3006 1 1 1 ARG O O 0.329 -4.755 4.612 1.00 . A A . 1 ARG O 1 1 7 3007 1 1 2 TYR C C -0.123 -1.467 2.542 1.00 . A A . 2 TYR C 1 1 7 3008 1 1 2 TYR CA C -0.806 -2.689 3.154 1.00 . A A . 2 TYR CA 1 1 7 3009 1 1 2 TYR CB C -2.295 -2.683 2.807 1.00 . A A . 2 TYR CB 1 1 7 3010 1 1 2 TYR CD1 C -3.365 -0.418 3.134 1.00 . A A . 2 TYR CD1 1 1 7 3011 1 1 2 TYR CD2 C -3.602 -2.037 4.869 1.00 . A A . 2 TYR CD2 1 1 7 3012 1 1 2 TYR CE1 C -4.102 0.487 3.873 1.00 . A A . 2 TYR CE1 1 1 7 3013 1 1 2 TYR CE2 C -4.341 -1.138 5.612 1.00 . A A . 2 TYR CE2 1 1 7 3014 1 1 2 TYR CG C -3.103 -1.694 3.618 1.00 . A A . 2 TYR CG 1 1 7 3015 1 1 2 TYR CZ C -4.588 0.123 5.111 1.00 . A A . 2 TYR CZ 1 1 7 3016 1 1 2 TYR H H -0.920 -1.949 5.134 1.00 . A A . 2 TYR H 1 1 7 3017 1 1 2 TYR HA H -0.354 -3.580 2.745 1.00 . A A . 2 TYR HA 1 1 7 3018 1 1 2 TYR HB2 H -2.414 -2.430 1.765 1.00 . A A . 2 TYR HB2 1 1 7 3019 1 1 2 TYR HB3 H -2.703 -3.668 2.982 1.00 . A A . 2 TYR HB3 1 1 7 3020 1 1 2 TYR HD1 H -2.983 -0.137 2.164 1.00 . A A . 2 TYR HD1 1 1 7 3021 1 1 2 TYR HD2 H -3.407 -3.025 5.258 1.00 . A A . 2 TYR HD2 1 1 7 3022 1 1 2 TYR HE1 H -4.295 1.473 3.479 1.00 . A A . 2 TYR HE1 1 1 7 3023 1 1 2 TYR HE2 H -4.721 -1.423 6.583 1.00 . A A . 2 TYR HE2 1 1 7 3024 1 1 2 TYR HH H -5.773 0.560 6.560 1.00 . A A . 2 TYR HH 1 1 7 3025 1 1 2 TYR N N -0.624 -2.717 4.601 1.00 . A A . 2 TYR N 1 1 7 3026 1 1 2 TYR O O -0.420 -0.330 2.906 1.00 . A A . 2 TYR O 1 1 7 3027 1 1 2 TYR OH O -5.322 1.021 5.850 1.00 . A A . 2 TYR OH 1 1 7 3028 1 1 3 CYS C C 1.852 -1.017 -0.492 1.00 . A A . 3 CYS C 1 1 7 3029 1 1 3 CYS CA C 1.514 -0.639 0.946 1.00 . A A . 3 CYS CA 1 1 7 3030 1 1 3 CYS CB C 2.797 -0.310 1.714 1.00 . A A . 3 CYS CB 1 1 7 3031 1 1 3 CYS H H 0.982 -2.644 1.362 1.00 . A A . 3 CYS H 1 1 7 3032 1 1 3 CYS HA H 0.878 0.234 0.934 1.00 . A A . 3 CYS HA 1 1 7 3033 1 1 3 CYS HB2 H 3.147 -1.201 2.213 1.00 . A A . 3 CYS HB2 1 1 7 3034 1 1 3 CYS HB3 H 3.548 0.028 1.015 1.00 . A A . 3 CYS HB3 1 1 7 3035 1 1 3 CYS N N 0.789 -1.714 1.610 1.00 . A A . 3 CYS N 1 1 7 3036 1 1 3 CYS O O 1.382 -2.033 -1.005 1.00 . A A . 3 CYS O 1 1 7 3037 1 1 3 CYS SG S 2.594 0.987 2.977 1.00 . A A . 3 CYS SG 1 1 7 3038 1 1 4 GLN C C 4.588 -0.563 -2.633 1.00 . A A . 4 GLN C 1 1 7 3039 1 1 4 GLN CA C 3.072 -0.444 -2.519 1.00 . A A . 4 GLN CA 1 1 7 3040 1 1 4 GLN CB C 2.568 0.679 -3.429 1.00 . A A . 4 GLN CB 1 1 7 3041 1 1 4 GLN CD C 0.103 0.506 -2.902 1.00 . A A . 4 GLN CD 1 1 7 3042 1 1 4 GLN CG C 1.336 1.389 -2.894 1.00 . A A . 4 GLN CG 1 1 7 3043 1 1 4 GLN H H 3.014 0.600 -0.678 1.00 . A A . 4 GLN H 1 1 7 3044 1 1 4 GLN HA H 2.626 -1.375 -2.830 1.00 . A A . 4 GLN HA 1 1 7 3045 1 1 4 GLN HB2 H 3.353 1.408 -3.550 1.00 . A A . 4 GLN HB2 1 1 7 3046 1 1 4 GLN HB3 H 2.323 0.259 -4.394 1.00 . A A . 4 GLN HB3 1 1 7 3047 1 1 4 GLN HE21 H 0.268 0.251 -4.868 1.00 . A A . 4 GLN HE21 1 1 7 3048 1 1 4 GLN HE22 H -1.061 -0.556 -4.115 1.00 . A A . 4 GLN HE22 1 1 7 3049 1 1 4 GLN HG2 H 1.528 1.701 -1.878 1.00 . A A . 4 GLN HG2 1 1 7 3050 1 1 4 GLN HG3 H 1.141 2.257 -3.506 1.00 . A A . 4 GLN HG3 1 1 7 3051 1 1 4 GLN N N 2.671 -0.194 -1.141 1.00 . A A . 4 GLN N 1 1 7 3052 1 1 4 GLN NE2 N -0.268 0.018 -4.081 1.00 . A A . 4 GLN NE2 1 1 7 3053 1 1 4 GLN O O 5.281 0.419 -2.900 1.00 . A A . 4 GLN O 1 1 7 3054 1 1 4 GLN OE1 O -0.510 0.265 -1.862 1.00 . A A . 4 GLN OE1 1 1 7 3055 1 1 5 LYS C C 7.323 -0.812 -2.013 1.00 . A A . 5 LYS C 1 1 7 3056 1 1 5 LYS CA C 6.532 -2.021 -2.505 1.00 . A A . 5 LYS CA 1 1 7 3057 1 1 5 LYS CB C 6.935 -2.356 -3.944 1.00 . A A . 5 LYS CB 1 1 7 3058 1 1 5 LYS CD C 5.463 -3.948 -5.214 1.00 . A A . 5 LYS CD 1 1 7 3059 1 1 5 LYS CE C 5.255 -5.390 -5.647 1.00 . A A . 5 LYS CE 1 1 7 3060 1 1 5 LYS CG C 6.685 -3.806 -4.323 1.00 . A A . 5 LYS CG 1 1 7 3061 1 1 5 LYS H H 4.495 -2.516 -2.216 1.00 . A A . 5 LYS H 1 1 7 3062 1 1 5 LYS HA H 6.759 -2.866 -1.871 1.00 . A A . 5 LYS HA 1 1 7 3063 1 1 5 LYS HB2 H 6.371 -1.727 -4.618 1.00 . A A . 5 LYS HB2 1 1 7 3064 1 1 5 LYS HB3 H 7.988 -2.148 -4.068 1.00 . A A . 5 LYS HB3 1 1 7 3065 1 1 5 LYS HD2 H 4.591 -3.617 -4.669 1.00 . A A . 5 LYS HD2 1 1 7 3066 1 1 5 LYS HD3 H 5.596 -3.332 -6.092 1.00 . A A . 5 LYS HD3 1 1 7 3067 1 1 5 LYS HE2 H 5.814 -5.565 -6.553 1.00 . A A . 5 LYS HE2 1 1 7 3068 1 1 5 LYS HE3 H 5.620 -6.044 -4.867 1.00 . A A . 5 LYS HE3 1 1 7 3069 1 1 5 LYS HG2 H 7.548 -4.183 -4.851 1.00 . A A . 5 LYS HG2 1 1 7 3070 1 1 5 LYS HG3 H 6.534 -4.382 -3.421 1.00 . A A . 5 LYS HG3 1 1 7 3071 1 1 5 LYS HZ1 H 3.731 -6.442 -6.613 1.00 . A A . 5 LYS HZ1 1 1 7 3072 1 1 5 LYS HZ2 H 3.328 -4.843 -6.243 1.00 . A A . 5 LYS HZ2 1 1 7 3073 1 1 5 LYS HZ3 H 3.361 -6.010 -5.021 1.00 . A A . 5 LYS HZ3 1 1 7 3074 1 1 5 LYS N N 5.100 -1.772 -2.426 1.00 . A A . 5 LYS N 1 1 7 3075 1 1 5 LYS NZ N 3.818 -5.691 -5.898 1.00 . A A . 5 LYS NZ 1 1 7 3076 1 1 5 LYS O O 8.264 -0.365 -2.672 1.00 . A A . 5 LYS O 1 1 7 3077 1 1 6 TRP C C 9.121 0.775 -0.481 1.00 . A A . 6 TRP C 1 1 7 3078 1 1 6 TRP CA C 7.612 0.864 -0.275 1.00 . A A . 6 TRP CA 1 1 7 3079 1 1 6 TRP CB C 7.296 0.970 1.218 1.00 . A A . 6 TRP CB 1 1 7 3080 1 1 6 TRP CD1 C 9.009 0.497 3.062 1.00 . A A . 6 TRP CD1 1 1 7 3081 1 1 6 TRP CD2 C 8.259 -1.333 2.010 1.00 . A A . 6 TRP CD2 1 1 7 3082 1 1 6 TRP CE2 C 9.188 -1.730 2.993 1.00 . A A . 6 TRP CE2 1 1 7 3083 1 1 6 TRP CE3 C 7.655 -2.315 1.222 1.00 . A A . 6 TRP CE3 1 1 7 3084 1 1 6 TRP CG C 8.160 0.094 2.072 1.00 . A A . 6 TRP CG 1 1 7 3085 1 1 6 TRP CH2 C 8.916 -4.003 2.418 1.00 . A A . 6 TRP CH2 1 1 7 3086 1 1 6 TRP CZ2 C 9.523 -3.063 3.205 1.00 . A A . 6 TRP CZ2 1 1 7 3087 1 1 6 TRP CZ3 C 7.989 -3.638 1.433 1.00 . A A . 6 TRP CZ3 1 1 7 3088 1 1 6 TRP H H 6.184 -0.693 -0.378 1.00 . A A . 6 TRP H 1 1 7 3089 1 1 6 TRP HA H 7.244 1.748 -0.778 1.00 . A A . 6 TRP HA 1 1 7 3090 1 1 6 TRP HB2 H 7.438 1.991 1.537 1.00 . A A . 6 TRP HB2 1 1 7 3091 1 1 6 TRP HB3 H 6.266 0.686 1.380 1.00 . A A . 6 TRP HB3 1 1 7 3092 1 1 6 TRP HD1 H 9.160 1.525 3.353 1.00 . A A . 6 TRP HD1 1 1 7 3093 1 1 6 TRP HE1 H 10.285 -0.565 4.353 1.00 . A A . 6 TRP HE1 1 1 7 3094 1 1 6 TRP HE3 H 6.937 -2.055 0.457 1.00 . A A . 6 TRP HE3 1 1 7 3095 1 1 6 TRP HH2 H 9.146 -5.049 2.548 1.00 . A A . 6 TRP HH2 1 1 7 3096 1 1 6 TRP HZ2 H 10.237 -3.361 3.962 1.00 . A A . 6 TRP HZ2 1 1 7 3097 1 1 6 TRP HZ3 H 7.531 -4.411 0.832 1.00 . A A . 6 TRP HZ3 1 1 7 3098 1 1 6 TRP N N 6.938 -0.292 -0.855 1.00 . A A . 6 TRP N 1 1 7 3099 1 1 6 TRP NE1 N 9.630 -0.595 3.620 1.00 . A A . 6 TRP NE1 1 1 7 3100 1 1 6 TRP O O 9.834 1.773 -0.620 1.00 . A A . 6 TRP O 1 1 7 3101 1 1 7 NLE C C 11.833 0.105 -1.647 1.00 . A A . 7 NLE C 1 1 7 3102 1 1 7 NLE CA C 11.112 -0.725 -0.528 1.00 . A A . 7 NLE CA 1 1 7 3103 1 1 7 NLE CB C 11.300 -2.264 -0.646 1.00 . A A . 7 NLE CB 1 1 7 3104 1 1 7 NLE CD C 12.896 -4.011 0.368 1.00 . A A . 7 NLE CD 1 1 7 3105 1 1 7 NLE CE C 13.555 -5.081 -0.396 1.00 . A A . 7 NLE CE 1 1 7 3106 1 1 7 NLE CG C 12.767 -2.742 -0.490 1.00 . A A . 7 NLE CG 1 1 7 3107 1 1 7 NLE H H 8.953 -1.207 -0.381 1.00 . A A . 7 NLE H 1 1 7 3108 1 1 7 NLE HA H 11.551 -0.446 0.453 1.00 . A A . 7 NLE HA 1 1 7 3109 1 1 7 NLE HB2 H 10.687 -2.768 0.128 1.00 . A A . 7 NLE HB2 1 1 7 3110 1 1 7 NLE HB3 H 10.901 -2.622 -1.614 1.00 . A A . 7 NLE HB3 1 1 7 3111 1 1 7 NLE HD2 H 13.482 -3.809 1.289 1.00 . A A . 7 NLE HD2 1 1 7 3112 1 1 7 NLE HD3 H 11.903 -4.360 0.713 1.00 . A A . 7 NLE HD3 1 1 7 3113 1 1 7 NLE HE1 H 14.504 -4.797 -0.670 1.00 . A A . 7 NLE HE1 1 1 7 3114 1 1 7 NLE HE2 H 13.622 -5.926 0.183 1.00 . A A . 7 NLE HE2 1 1 7 3115 1 1 7 NLE HE3 H 13.012 -5.309 -1.241 1.00 . A A . 7 NLE HE3 1 1 7 3116 1 1 7 NLE HG2 H 13.212 -2.935 -1.484 1.00 . A A . 7 NLE HG2 1 1 7 3117 1 1 7 NLE HG3 H 13.397 -1.946 -0.042 1.00 . A A . 7 NLE HG3 1 1 7 3118 1 1 7 NLE N N 9.646 -0.463 -0.507 1.00 . A A . 7 NLE N 1 1 7 3119 1 1 7 NLE O O 13.060 0.209 -1.635 1.00 . A A . 7 NLE O 1 1 7 3120 1 1 8 TRP C C 12.621 2.514 -3.085 1.00 . A A . 8 TRP C 1 1 7 3121 1 1 8 TRP CA C 11.637 1.488 -3.639 1.00 . A A . 8 TRP CA 1 1 7 3122 1 1 8 TRP CB C 10.528 2.196 -4.417 1.00 . A A . 8 TRP CB 1 1 7 3123 1 1 8 TRP CD1 C 9.660 -0.031 -5.338 1.00 . A A . 8 TRP CD1 1 1 7 3124 1 1 8 TRP CD2 C 8.090 1.551 -5.127 1.00 . A A . 8 TRP CD2 1 1 7 3125 1 1 8 TRP CE2 C 7.486 0.386 -5.640 1.00 . A A . 8 TRP CE2 1 1 7 3126 1 1 8 TRP CE3 C 7.295 2.680 -4.910 1.00 . A A . 8 TRP CE3 1 1 7 3127 1 1 8 TRP CG C 9.479 1.261 -4.941 1.00 . A A . 8 TRP CG 1 1 7 3128 1 1 8 TRP CH2 C 5.374 1.439 -5.714 1.00 . A A . 8 TRP CH2 1 1 7 3129 1 1 8 TRP CZ2 C 6.128 0.318 -5.937 1.00 . A A . 8 TRP CZ2 1 1 7 3130 1 1 8 TRP CZ3 C 5.947 2.613 -5.206 1.00 . A A . 8 TRP CZ3 1 1 7 3131 1 1 8 TRP H H 10.094 0.562 -2.523 1.00 . A A . 8 TRP H 1 1 7 3132 1 1 8 TRP HA H 12.165 0.824 -4.307 1.00 . A A . 8 TRP HA 1 1 7 3133 1 1 8 TRP HB2 H 10.042 2.913 -3.770 1.00 . A A . 8 TRP HB2 1 1 7 3134 1 1 8 TRP HB3 H 10.964 2.716 -5.259 1.00 . A A . 8 TRP HB3 1 1 7 3135 1 1 8 TRP HD1 H 10.608 -0.547 -5.319 1.00 . A A . 8 TRP HD1 1 1 7 3136 1 1 8 TRP HE1 H 8.337 -1.480 -6.090 1.00 . A A . 8 TRP HE1 1 1 7 3137 1 1 8 TRP HE3 H 7.718 3.595 -4.519 1.00 . A A . 8 TRP HE3 1 1 7 3138 1 1 8 TRP HH2 H 4.317 1.432 -5.931 1.00 . A A . 8 TRP HH2 1 1 7 3139 1 1 8 TRP HZ2 H 5.671 -0.578 -6.327 1.00 . A A . 8 TRP HZ2 1 1 7 3140 1 1 8 TRP HZ3 H 5.317 3.475 -5.044 1.00 . A A . 8 TRP HZ3 1 1 7 3141 1 1 8 TRP N N 11.068 0.682 -2.567 1.00 . A A . 8 TRP N 1 1 7 3142 1 1 8 TRP NE1 N 8.466 -0.565 -5.759 1.00 . A A . 8 TRP NE1 1 1 7 3143 1 1 8 TRP O O 12.699 2.723 -1.875 1.00 . A A . 8 TRP O 1 1 7 3144 1 1 9 THR C C 13.714 5.532 -3.476 1.00 . A A . 9 THR C 1 1 7 3145 1 1 9 THR CA C 14.352 4.152 -3.580 1.00 . A A . 9 THR CA 1 1 7 3146 1 1 9 THR CB C 15.529 4.215 -4.572 1.00 . A A . 9 THR CB 1 1 7 3147 1 1 9 THR CG2 C 16.430 2.999 -4.421 1.00 . A A . 9 THR CG2 1 1 7 3148 1 1 9 THR H H 13.264 2.938 -4.931 1.00 . A A . 9 THR H 1 1 7 3149 1 1 9 THR HA H 14.740 3.871 -2.611 1.00 . A A . 9 THR HA 1 1 7 3150 1 1 9 THR HB H 16.108 5.100 -4.365 1.00 . A A . 9 THR HB 1 1 7 3151 1 1 9 THR HG1 H 14.711 5.171 -6.092 1.00 . A A . 9 THR HG1 1 1 7 3152 1 1 9 THR HG21 H 17.464 3.314 -4.424 1.00 . A A . 9 THR HG21 1 1 7 3153 1 1 9 THR HG22 H 16.259 2.317 -5.240 1.00 . A A . 9 THR HG22 1 1 7 3154 1 1 9 THR HG23 H 16.209 2.502 -3.487 1.00 . A A . 9 THR HG23 1 1 7 3155 1 1 9 THR N N 13.373 3.149 -3.980 1.00 . A A . 9 THR N 1 1 7 3156 1 1 9 THR O O 13.959 6.404 -4.312 1.00 . A A . 9 THR O 1 1 7 3157 1 1 9 THR OG1 O 15.034 4.281 -5.915 1.00 . A A . 9 THR OG1 1 1 7 3158 1 1 10 CYS C C 13.159 8.169 -2.547 1.00 . A A . 10 CYS C 1 1 7 3159 1 1 10 CYS CA C 12.226 7.003 -2.233 1.00 . A A . 10 CYS CA 1 1 7 3160 1 1 10 CYS CB C 11.730 7.106 -0.790 1.00 . A A . 10 CYS CB 1 1 7 3161 1 1 10 CYS H H 12.744 4.994 -1.814 1.00 . A A . 10 CYS H 1 1 7 3162 1 1 10 CYS HA H 11.379 7.046 -2.901 1.00 . A A . 10 CYS HA 1 1 7 3163 1 1 10 CYS HB2 H 11.174 8.025 -0.674 1.00 . A A . 10 CYS HB2 1 1 7 3164 1 1 10 CYS HB3 H 11.080 6.270 -0.580 1.00 . A A . 10 CYS HB3 1 1 7 3165 1 1 10 CYS N N 12.899 5.727 -2.447 1.00 . A A . 10 CYS N 1 1 7 3166 1 1 10 CYS O O 14.266 8.253 -2.013 1.00 . A A . 10 CYS O 1 1 7 3167 1 1 10 CYS SG S 13.060 7.103 0.456 1.00 . A A . 10 CYS SG 1 1 7 3168 1 1 11 ASP C C 12.766 11.063 -4.845 1.00 . A A . 11 ASP C 1 1 7 3169 1 1 11 ASP CA C 13.499 10.228 -3.800 1.00 . A A . 11 ASP CA 1 1 7 3170 1 1 11 ASP CB C 14.858 9.787 -4.342 1.00 . A A . 11 ASP CB 1 1 7 3171 1 1 11 ASP CG C 16.006 10.218 -3.448 1.00 . A A . 11 ASP CG 1 1 7 3172 1 1 11 ASP H H 11.814 8.944 -3.807 1.00 . A A . 11 ASP H 1 1 7 3173 1 1 11 ASP HA H 13.651 10.831 -2.918 1.00 . A A . 11 ASP HA 1 1 7 3174 1 1 11 ASP HB2 H 14.873 8.710 -4.423 1.00 . A A . 11 ASP HB2 1 1 7 3175 1 1 11 ASP HB3 H 15.006 10.220 -5.321 1.00 . A A . 11 ASP HB3 1 1 7 3176 1 1 11 ASP N N 12.705 9.066 -3.415 1.00 . A A . 11 ASP N 1 1 7 3177 1 1 11 ASP O O 12.264 12.147 -4.546 1.00 . A A . 11 ASP O 1 1 7 3178 1 1 11 ASP OD1 O 17.119 10.425 -3.972 1.00 . A A . 11 ASP OD1 1 1 7 3179 1 1 11 ASP OD2 O 15.788 10.346 -2.226 1.00 . A A . 11 ASP OD2 1 1 7 3180 1 1 12 SER C C 10.569 10.868 -7.234 1.00 . A A . 12 SER C 1 1 7 3181 1 1 12 SER CA C 12.043 11.256 -7.161 1.00 . A A . 12 SER CA 1 1 7 3182 1 1 12 SER CB C 12.732 10.944 -8.492 1.00 . A A . 12 SER CB 1 1 7 3183 1 1 12 SER H H 13.129 9.686 -6.245 1.00 . A A . 12 SER H 1 1 7 3184 1 1 12 SER HA H 12.116 12.315 -6.967 1.00 . A A . 12 SER HA 1 1 7 3185 1 1 12 SER HB2 H 12.039 11.113 -9.301 1.00 . A A . 12 SER HB2 1 1 7 3186 1 1 12 SER HB3 H 13.590 11.590 -8.609 1.00 . A A . 12 SER HB3 1 1 7 3187 1 1 12 SER HG H 13.419 9.370 -9.437 1.00 . A A . 12 SER HG 1 1 7 3188 1 1 12 SER N N 12.710 10.552 -6.069 1.00 . A A . 12 SER N 1 1 7 3189 1 1 12 SER O O 9.693 11.639 -6.844 1.00 . A A . 12 SER O 1 1 7 3190 1 1 12 SER OG O 13.168 9.595 -8.538 1.00 . A A . 12 SER OG 1 1 7 3191 1 1 13 LYS C C 8.172 9.355 -6.557 1.00 . A A . 13 LYS C 1 1 7 3192 1 1 13 LYS CA C 8.938 9.175 -7.864 1.00 . A A . 13 LYS CA 1 1 7 3193 1 1 13 LYS CB C 8.940 7.699 -8.269 1.00 . A A . 13 LYS CB 1 1 7 3194 1 1 13 LYS CD C 7.975 7.713 -10.589 1.00 . A A . 13 LYS CD 1 1 7 3195 1 1 13 LYS CE C 8.318 7.815 -12.065 1.00 . A A . 13 LYS CE 1 1 7 3196 1 1 13 LYS CG C 9.217 7.472 -9.744 1.00 . A A . 13 LYS CG 1 1 7 3197 1 1 13 LYS H H 11.046 9.099 -8.033 1.00 . A A . 13 LYS H 1 1 7 3198 1 1 13 LYS HA H 8.448 9.750 -8.636 1.00 . A A . 13 LYS HA 1 1 7 3199 1 1 13 LYS HB2 H 9.699 7.184 -7.698 1.00 . A A . 13 LYS HB2 1 1 7 3200 1 1 13 LYS HB3 H 7.975 7.273 -8.036 1.00 . A A . 13 LYS HB3 1 1 7 3201 1 1 13 LYS HD2 H 7.288 6.891 -10.446 1.00 . A A . 13 LYS HD2 1 1 7 3202 1 1 13 LYS HD3 H 7.508 8.635 -10.270 1.00 . A A . 13 LYS HD3 1 1 7 3203 1 1 13 LYS HE2 H 7.547 8.385 -12.563 1.00 . A A . 13 LYS HE2 1 1 7 3204 1 1 13 LYS HE3 H 9.265 8.325 -12.169 1.00 . A A . 13 LYS HE3 1 1 7 3205 1 1 13 LYS HG2 H 9.992 8.152 -10.066 1.00 . A A . 13 LYS HG2 1 1 7 3206 1 1 13 LYS HG3 H 9.546 6.453 -9.888 1.00 . A A . 13 LYS HG3 1 1 7 3207 1 1 13 LYS HZ1 H 9.251 6.435 -13.327 1.00 . A A . 13 LYS HZ1 1 1 7 3208 1 1 13 LYS HZ2 H 7.567 6.287 -13.278 1.00 . A A . 13 LYS HZ2 1 1 7 3209 1 1 13 LYS HZ3 H 8.503 5.736 -11.981 1.00 . A A . 13 LYS HZ3 1 1 7 3210 1 1 13 LYS N N 10.304 9.667 -7.741 1.00 . A A . 13 LYS N 1 1 7 3211 1 1 13 LYS NZ N 8.418 6.475 -12.708 1.00 . A A . 13 LYS NZ 1 1 7 3212 1 1 13 LYS O O 7.175 10.075 -6.505 1.00 . A A . 13 LYS O 1 1 7 3213 1 1 14 ARG C C 6.576 8.252 -4.256 1.00 . A A . 14 ARG C 1 1 7 3214 1 1 14 ARG CA C 8.004 8.783 -4.199 1.00 . A A . 14 ARG CA 1 1 7 3215 1 1 14 ARG CB C 8.004 10.231 -3.704 1.00 . A A . 14 ARG CB 1 1 7 3216 1 1 14 ARG CD C 9.688 11.525 -2.361 1.00 . A A . 14 ARG CD 1 1 7 3217 1 1 14 ARG CG C 9.381 10.874 -3.701 1.00 . A A . 14 ARG CG 1 1 7 3218 1 1 14 ARG CZ C 11.155 13.304 -1.508 1.00 . A A . 14 ARG CZ 1 1 7 3219 1 1 14 ARG H H 9.443 8.137 -5.611 1.00 . A A . 14 ARG H 1 1 7 3220 1 1 14 ARG HA H 8.573 8.176 -3.511 1.00 . A A . 14 ARG HA 1 1 7 3221 1 1 14 ARG HB2 H 7.358 10.816 -4.340 1.00 . A A . 14 ARG HB2 1 1 7 3222 1 1 14 ARG HB3 H 7.617 10.251 -2.695 1.00 . A A . 14 ARG HB3 1 1 7 3223 1 1 14 ARG HD2 H 8.758 11.793 -1.884 1.00 . A A . 14 ARG HD2 1 1 7 3224 1 1 14 ARG HD3 H 10.219 10.815 -1.745 1.00 . A A . 14 ARG HD3 1 1 7 3225 1 1 14 ARG HE H 10.570 13.123 -3.406 1.00 . A A . 14 ARG HE 1 1 7 3226 1 1 14 ARG HG2 H 10.123 10.115 -3.898 1.00 . A A . 14 ARG HG2 1 1 7 3227 1 1 14 ARG HG3 H 9.418 11.626 -4.474 1.00 . A A . 14 ARG HG3 1 1 7 3228 1 1 14 ARG HH11 H 10.542 11.969 -0.122 1.00 . A A . 14 ARG HH11 1 1 7 3229 1 1 14 ARG HH12 H 11.578 13.227 0.467 1.00 . A A . 14 ARG HH12 1 1 7 3230 1 1 14 ARG HH21 H 11.933 14.785 -2.643 1.00 . A A . 14 ARG HH21 1 1 7 3231 1 1 14 ARG HH22 H 12.367 14.830 -0.968 1.00 . A A . 14 ARG HH22 1 1 7 3232 1 1 14 ARG N N 8.644 8.695 -5.506 1.00 . A A . 14 ARG N 1 1 7 3233 1 1 14 ARG NE N 10.505 12.727 -2.513 1.00 . A A . 14 ARG NE 1 1 7 3234 1 1 14 ARG NH1 N 11.087 12.791 -0.287 1.00 . A A . 14 ARG NH1 1 1 7 3235 1 1 14 ARG NH2 N 11.879 14.395 -1.723 1.00 . A A . 14 ARG NH2 1 1 7 3236 1 1 14 ARG O O 5.643 8.898 -3.780 1.00 . A A . 14 ARG O 1 1 7 3237 1 1 15 ALA C C 4.799 5.559 -3.765 1.00 . A A . 15 ALA C 1 1 7 3238 1 1 15 ALA CA C 5.097 6.455 -4.964 1.00 . A A . 15 ALA CA 1 1 7 3239 1 1 15 ALA CB C 5.003 5.658 -6.256 1.00 . A A . 15 ALA CB 1 1 7 3240 1 1 15 ALA H H 7.193 6.605 -5.207 1.00 . A A . 15 ALA H 1 1 7 3241 1 1 15 ALA HA H 4.359 7.244 -5.002 1.00 . A A . 15 ALA HA 1 1 7 3242 1 1 15 ALA HB1 H 5.833 4.967 -6.313 1.00 . A A . 15 ALA HB1 1 1 7 3243 1 1 15 ALA HB2 H 4.074 5.107 -6.275 1.00 . A A . 15 ALA HB2 1 1 7 3244 1 1 15 ALA HB3 H 5.039 6.331 -7.099 1.00 . A A . 15 ALA HB3 1 1 7 3245 1 1 15 ALA N N 6.411 7.071 -4.845 1.00 . A A . 15 ALA N 1 1 7 3246 1 1 15 ALA O O 3.873 4.748 -3.799 1.00 . A A . 15 ALA O 1 1 7 3247 1 1 16 CYS C C 4.149 5.331 -0.757 1.00 . A A . 16 CYS C 1 1 7 3248 1 1 16 CYS CA C 5.414 4.916 -1.500 1.00 . A A . 16 CYS CA 1 1 7 3249 1 1 16 CYS CB C 6.629 5.066 -0.583 1.00 . A A . 16 CYS CB 1 1 7 3250 1 1 16 CYS H H 6.313 6.374 -2.743 1.00 . A A . 16 CYS H 1 1 7 3251 1 1 16 CYS HA H 5.320 3.882 -1.794 1.00 . A A . 16 CYS HA 1 1 7 3252 1 1 16 CYS HB2 H 6.861 6.116 -0.475 1.00 . A A . 16 CYS HB2 1 1 7 3253 1 1 16 CYS HB3 H 6.394 4.654 0.386 1.00 . A A . 16 CYS HB3 1 1 7 3254 1 1 16 CYS N N 5.590 5.711 -2.710 1.00 . A A . 16 CYS N 1 1 7 3255 1 1 16 CYS O O 3.320 6.074 -1.286 1.00 . A A . 16 CYS O 1 1 7 3256 1 1 16 CYS SG S 8.129 4.230 -1.194 1.00 . A A . 16 CYS SG 1 1 7 3257 1 1 17 CYS C C 3.189 6.210 2.349 1.00 . A A . 17 CYS C 1 1 7 3258 1 1 17 CYS CA C 2.842 5.167 1.290 1.00 . A A . 17 CYS CA 1 1 7 3259 1 1 17 CYS CB C 2.301 3.903 1.963 1.00 . A A . 17 CYS CB 1 1 7 3260 1 1 17 CYS H H 4.700 4.260 0.839 1.00 . A A . 17 CYS H 1 1 7 3261 1 1 17 CYS HA H 2.081 5.571 0.640 1.00 . A A . 17 CYS HA 1 1 7 3262 1 1 17 CYS HB2 H 1.961 4.151 2.958 1.00 . A A . 17 CYS HB2 1 1 7 3263 1 1 17 CYS HB3 H 1.470 3.526 1.387 1.00 . A A . 17 CYS HB3 1 1 7 3264 1 1 17 CYS N N 4.004 4.848 0.474 1.00 . A A . 17 CYS N 1 1 7 3265 1 1 17 CYS O O 2.907 7.395 2.181 1.00 . A A . 17 CYS O 1 1 7 3266 1 1 17 CYS SG S 3.525 2.562 2.115 1.00 . A A . 17 CYS SG 1 1 7 3267 1 1 18 GLU C C 5.610 6.358 4.990 1.00 . A A . 18 GLU C 1 1 7 3268 1 1 18 GLU CA C 4.189 6.652 4.522 1.00 . A A . 18 GLU CA 1 1 7 3269 1 1 18 GLU CB C 3.215 6.516 5.695 1.00 . A A . 18 GLU CB 1 1 7 3270 1 1 18 GLU CD C 2.679 7.413 7.996 1.00 . A A . 18 GLU CD 1 1 7 3271 1 1 18 GLU CG C 3.180 7.736 6.600 1.00 . A A . 18 GLU CG 1 1 7 3272 1 1 18 GLU H H 4.000 4.801 3.512 1.00 . A A . 18 GLU H 1 1 7 3273 1 1 18 GLU HA H 4.149 7.664 4.149 1.00 . A A . 18 GLU HA 1 1 7 3274 1 1 18 GLU HB2 H 2.222 6.351 5.306 1.00 . A A . 18 GLU HB2 1 1 7 3275 1 1 18 GLU HB3 H 3.505 5.662 6.290 1.00 . A A . 18 GLU HB3 1 1 7 3276 1 1 18 GLU HG2 H 4.177 8.141 6.678 1.00 . A A . 18 GLU HG2 1 1 7 3277 1 1 18 GLU HG3 H 2.525 8.474 6.161 1.00 . A A . 18 GLU HG3 1 1 7 3278 1 1 18 GLU N N 3.804 5.758 3.437 1.00 . A A . 18 GLU N 1 1 7 3279 1 1 18 GLU O O 5.947 6.558 6.157 1.00 . A A . 18 GLU O 1 1 7 3280 1 1 18 GLU OE1 O 3.038 8.148 8.939 1.00 . A A . 18 GLU OE1 1 1 7 3281 1 1 18 GLU OE2 O 1.927 6.425 8.142 1.00 . A A . 18 GLU OE2 1 1 7 3282 1 1 19 GLY C C 8.808 6.159 3.423 1.00 . A A . 19 GLY C 1 1 7 3283 1 1 19 GLY CA C 7.821 5.566 4.407 1.00 . A A . 19 GLY CA 1 1 7 3284 1 1 19 GLY H H 6.122 5.742 3.155 1.00 . A A . 19 GLY H 1 1 7 3285 1 1 19 GLY HA2 H 8.035 5.949 5.393 1.00 . A A . 19 GLY HA2 1 1 7 3286 1 1 19 GLY HA3 H 7.939 4.492 4.417 1.00 . A A . 19 GLY HA3 1 1 7 3287 1 1 19 GLY N N 6.444 5.880 4.071 1.00 . A A . 19 GLY N 1 1 7 3288 1 1 19 GLY O O 9.997 5.837 3.456 1.00 . A A . 19 GLY O 1 1 7 3289 1 1 20 LEU C C 10.073 8.708 2.186 1.00 . A A . 20 LEU C 1 1 7 3290 1 1 20 LEU CA C 9.166 7.664 1.544 1.00 . A A . 20 LEU CA 1 1 7 3291 1 1 20 LEU CB C 8.307 8.317 0.459 1.00 . A A . 20 LEU CB 1 1 7 3292 1 1 20 LEU CD1 C 5.916 7.914 1.096 1.00 . A A . 20 LEU CD1 1 1 7 3293 1 1 20 LEU CD2 C 7.225 9.714 2.239 1.00 . A A . 20 LEU CD2 1 1 7 3294 1 1 20 LEU CG C 7.004 8.963 0.934 1.00 . A A . 20 LEU CG 1 1 7 3295 1 1 20 LEU H H 7.363 7.241 2.567 1.00 . A A . 20 LEU H 1 1 7 3296 1 1 20 LEU HA H 9.780 6.899 1.092 1.00 . A A . 20 LEU HA 1 1 7 3297 1 1 20 LEU HB2 H 8.901 9.081 -0.019 1.00 . A A . 20 LEU HB2 1 1 7 3298 1 1 20 LEU HB3 H 8.056 7.553 -0.265 1.00 . A A . 20 LEU HB3 1 1 7 3299 1 1 20 LEU HD11 H 5.371 8.099 2.009 1.00 . A A . 20 LEU HD11 1 1 7 3300 1 1 20 LEU HD12 H 6.366 6.932 1.137 1.00 . A A . 20 LEU HD12 1 1 7 3301 1 1 20 LEU HD13 H 5.239 7.964 0.257 1.00 . A A . 20 LEU HD13 1 1 7 3302 1 1 20 LEU HD21 H 7.202 9.015 3.061 1.00 . A A . 20 LEU HD21 1 1 7 3303 1 1 20 LEU HD22 H 6.445 10.450 2.368 1.00 . A A . 20 LEU HD22 1 1 7 3304 1 1 20 LEU HD23 H 8.186 10.207 2.211 1.00 . A A . 20 LEU HD23 1 1 7 3305 1 1 20 LEU HG H 6.672 9.674 0.190 1.00 . A A . 20 LEU HG 1 1 7 3306 1 1 20 LEU N N 8.317 7.026 2.543 1.00 . A A . 20 LEU N 1 1 7 3307 1 1 20 LEU O O 10.928 9.296 1.522 1.00 . A A . 20 LEU O 1 1 7 3308 1 1 21 ARG C C 12.075 9.353 4.509 1.00 . A A . 21 ARG C 1 1 7 3309 1 1 21 ARG CA C 10.686 9.907 4.214 1.00 . A A . 21 ARG CA 1 1 7 3310 1 1 21 ARG CB C 9.990 10.292 5.521 1.00 . A A . 21 ARG CB 1 1 7 3311 1 1 21 ARG CD C 10.077 9.488 7.901 1.00 . A A . 21 ARG CD 1 1 7 3312 1 1 21 ARG CG C 9.762 9.118 6.460 1.00 . A A . 21 ARG CG 1 1 7 3313 1 1 21 ARG CZ C 9.730 7.407 9.164 1.00 . A A . 21 ARG CZ 1 1 7 3314 1 1 21 ARG H H 9.185 8.436 3.956 1.00 . A A . 21 ARG H 1 1 7 3315 1 1 21 ARG HA H 10.784 10.786 3.597 1.00 . A A . 21 ARG HA 1 1 7 3316 1 1 21 ARG HB2 H 10.595 11.022 6.035 1.00 . A A . 21 ARG HB2 1 1 7 3317 1 1 21 ARG HB3 H 9.030 10.729 5.289 1.00 . A A . 21 ARG HB3 1 1 7 3318 1 1 21 ARG HD2 H 10.845 10.245 7.905 1.00 . A A . 21 ARG HD2 1 1 7 3319 1 1 21 ARG HD3 H 9.183 9.880 8.361 1.00 . A A . 21 ARG HD3 1 1 7 3320 1 1 21 ARG HE H 11.505 8.257 8.832 1.00 . A A . 21 ARG HE 1 1 7 3321 1 1 21 ARG HG2 H 8.730 8.813 6.395 1.00 . A A . 21 ARG HG2 1 1 7 3322 1 1 21 ARG HG3 H 10.401 8.301 6.159 1.00 . A A . 21 ARG HG3 1 1 7 3323 1 1 21 ARG HH11 H 8.045 8.254 8.442 1.00 . A A . 21 ARG HH11 1 1 7 3324 1 1 21 ARG HH12 H 7.814 6.787 9.333 1.00 . A A . 21 ARG HH12 1 1 7 3325 1 1 21 ARG HH21 H 11.213 6.325 10.008 1.00 . A A . 21 ARG HH21 1 1 7 3326 1 1 21 ARG HH22 H 9.617 5.690 10.226 1.00 . A A . 21 ARG HH22 1 1 7 3327 1 1 21 ARG N N 9.882 8.934 3.482 1.00 . A A . 21 ARG N 1 1 7 3328 1 1 21 ARG NE N 10.541 8.337 8.672 1.00 . A A . 21 ARG NE 1 1 7 3329 1 1 21 ARG NH1 N 8.422 7.490 8.964 1.00 . A A . 21 ARG NH1 1 1 7 3330 1 1 21 ARG NH2 N 10.227 6.391 9.855 1.00 . A A . 21 ARG NH2 1 1 7 3331 1 1 21 ARG O O 12.511 9.321 5.661 1.00 . A A . 21 ARG O 1 1 7 3332 1 1 22 CYS C C 14.983 8.737 2.417 1.00 . A A . 22 CYS C 1 1 7 3333 1 1 22 CYS CA C 14.108 8.363 3.609 1.00 . A A . 22 CYS CA 1 1 7 3334 1 1 22 CYS CB C 14.041 6.841 3.748 1.00 . A A . 22 CYS CB 1 1 7 3335 1 1 22 CYS H H 12.366 8.967 2.569 1.00 . A A . 22 CYS H 1 1 7 3336 1 1 22 CYS HA H 14.544 8.779 4.504 1.00 . A A . 22 CYS HA 1 1 7 3337 1 1 22 CYS HB2 H 15.005 6.475 4.076 1.00 . A A . 22 CYS HB2 1 1 7 3338 1 1 22 CYS HB3 H 13.295 6.587 4.485 1.00 . A A . 22 CYS HB3 1 1 7 3339 1 1 22 CYS N N 12.767 8.916 3.462 1.00 . A A . 22 CYS N 1 1 7 3340 1 1 22 CYS O O 14.696 9.692 1.695 1.00 . A A . 22 CYS O 1 1 7 3341 1 1 22 CYS SG S 13.618 5.971 2.204 1.00 . A A . 22 CYS SG 1 1 7 3342 1 1 23 LYS C C 16.678 7.296 -0.064 1.00 . A A . 23 LYS C 1 1 7 3343 1 1 23 LYS CA C 16.973 8.226 1.109 1.00 . A A . 23 LYS CA 1 1 7 3344 1 1 23 LYS CB C 18.419 8.040 1.570 1.00 . A A . 23 LYS CB 1 1 7 3345 1 1 23 LYS CD C 18.776 10.283 2.642 1.00 . A A . 23 LYS CD 1 1 7 3346 1 1 23 LYS CE C 17.695 10.979 3.457 1.00 . A A . 23 LYS CE 1 1 7 3347 1 1 23 LYS CG C 18.750 8.778 2.855 1.00 . A A . 23 LYS CG 1 1 7 3348 1 1 23 LYS H H 16.231 7.229 2.823 1.00 . A A . 23 LYS H 1 1 7 3349 1 1 23 LYS HA H 16.836 9.246 0.786 1.00 . A A . 23 LYS HA 1 1 7 3350 1 1 23 LYS HB2 H 18.603 6.986 1.727 1.00 . A A . 23 LYS HB2 1 1 7 3351 1 1 23 LYS HB3 H 19.081 8.398 0.793 1.00 . A A . 23 LYS HB3 1 1 7 3352 1 1 23 LYS HD2 H 19.740 10.665 2.943 1.00 . A A . 23 LYS HD2 1 1 7 3353 1 1 23 LYS HD3 H 18.614 10.492 1.593 1.00 . A A . 23 LYS HD3 1 1 7 3354 1 1 23 LYS HE2 H 17.437 11.906 2.967 1.00 . A A . 23 LYS HE2 1 1 7 3355 1 1 23 LYS HE3 H 16.826 10.340 3.499 1.00 . A A . 23 LYS HE3 1 1 7 3356 1 1 23 LYS HG2 H 18.001 8.544 3.595 1.00 . A A . 23 LYS HG2 1 1 7 3357 1 1 23 LYS HG3 H 19.720 8.458 3.206 1.00 . A A . 23 LYS HG3 1 1 7 3358 1 1 23 LYS HZ1 H 17.383 11.077 5.519 1.00 . A A . 23 LYS HZ1 1 1 7 3359 1 1 23 LYS HZ2 H 18.421 12.275 4.925 1.00 . A A . 23 LYS HZ2 1 1 7 3360 1 1 23 LYS HZ3 H 18.971 10.684 5.083 1.00 . A A . 23 LYS HZ3 1 1 7 3361 1 1 23 LYS N N 16.056 7.977 2.214 1.00 . A A . 23 LYS N 1 1 7 3362 1 1 23 LYS NZ N 18.150 11.275 4.843 1.00 . A A . 23 LYS NZ 1 1 7 3363 1 1 23 LYS O O 16.656 7.724 -1.219 1.00 . A A . 23 LYS O 1 1 7 3364 1 1 24 LEU C C 14.989 4.143 -0.371 1.00 . A A . 24 LEU C 1 1 7 3365 1 1 24 LEU CA C 16.155 5.032 -0.790 1.00 . A A . 24 LEU CA 1 1 7 3366 1 1 24 LEU CB C 17.389 4.175 -1.071 1.00 . A A . 24 LEU CB 1 1 7 3367 1 1 24 LEU CD1 C 18.910 6.015 -1.837 1.00 . A A . 24 LEU CD1 1 1 7 3368 1 1 24 LEU CD2 C 19.403 3.646 -2.470 1.00 . A A . 24 LEU CD2 1 1 7 3369 1 1 24 LEU CG C 18.307 4.665 -2.192 1.00 . A A . 24 LEU CG 1 1 7 3370 1 1 24 LEU H H 16.482 5.741 1.177 1.00 . A A . 24 LEU H 1 1 7 3371 1 1 24 LEU HA H 15.883 5.562 -1.690 1.00 . A A . 24 LEU HA 1 1 7 3372 1 1 24 LEU HB2 H 17.973 4.129 -0.164 1.00 . A A . 24 LEU HB2 1 1 7 3373 1 1 24 LEU HB3 H 17.052 3.182 -1.329 1.00 . A A . 24 LEU HB3 1 1 7 3374 1 1 24 LEU HD11 H 18.400 6.793 -2.388 1.00 . A A . 24 LEU HD11 1 1 7 3375 1 1 24 LEU HD12 H 19.958 6.020 -2.096 1.00 . A A . 24 LEU HD12 1 1 7 3376 1 1 24 LEU HD13 H 18.801 6.191 -0.777 1.00 . A A . 24 LEU HD13 1 1 7 3377 1 1 24 LEU HD21 H 19.945 3.445 -1.558 1.00 . A A . 24 LEU HD21 1 1 7 3378 1 1 24 LEU HD22 H 20.079 4.038 -3.212 1.00 . A A . 24 LEU HD22 1 1 7 3379 1 1 24 LEU HD23 H 18.959 2.730 -2.833 1.00 . A A . 24 LEU HD23 1 1 7 3380 1 1 24 LEU HG H 17.725 4.786 -3.096 1.00 . A A . 24 LEU HG 1 1 7 3381 1 1 24 LEU N N 16.450 6.023 0.239 1.00 . A A . 24 LEU N 1 1 7 3382 1 1 24 LEU O O 13.826 4.477 -0.598 1.00 . A A . 24 LEU O 1 1 7 3383 1 1 25 TRP C C 13.373 2.722 1.731 1.00 . A A . 25 TRP C 1 1 7 3384 1 1 25 TRP CA C 14.286 2.072 0.698 1.00 . A A . 25 TRP CA 1 1 7 3385 1 1 25 TRP CB C 14.938 0.821 1.288 1.00 . A A . 25 TRP CB 1 1 7 3386 1 1 25 TRP CD1 C 13.220 -0.101 2.952 1.00 . A A . 25 TRP CD1 1 1 7 3387 1 1 25 TRP CD2 C 15.098 0.670 3.900 1.00 . A A . 25 TRP CD2 1 1 7 3388 1 1 25 TRP CE2 C 14.243 0.196 4.913 1.00 . A A . 25 TRP CE2 1 1 7 3389 1 1 25 TRP CE3 C 16.339 1.202 4.257 1.00 . A A . 25 TRP CE3 1 1 7 3390 1 1 25 TRP CG C 14.423 0.471 2.651 1.00 . A A . 25 TRP CG 1 1 7 3391 1 1 25 TRP CH2 C 15.816 0.766 6.583 1.00 . A A . 25 TRP CH2 1 1 7 3392 1 1 25 TRP CZ2 C 14.593 0.240 6.262 1.00 . A A . 25 TRP CZ2 1 1 7 3393 1 1 25 TRP CZ3 C 16.686 1.244 5.594 1.00 . A A . 25 TRP CZ3 1 1 7 3394 1 1 25 TRP H H 16.252 2.798 0.398 1.00 . A A . 25 TRP H 1 1 7 3395 1 1 25 TRP HA H 13.694 1.788 -0.160 1.00 . A A . 25 TRP HA 1 1 7 3396 1 1 25 TRP HB2 H 14.751 -0.017 0.634 1.00 . A A . 25 TRP HB2 1 1 7 3397 1 1 25 TRP HB3 H 16.005 0.982 1.364 1.00 . A A . 25 TRP HB3 1 1 7 3398 1 1 25 TRP HD1 H 12.477 -0.373 2.218 1.00 . A A . 25 TRP HD1 1 1 7 3399 1 1 25 TRP HE1 H 12.333 -0.656 4.774 1.00 . A A . 25 TRP HE1 1 1 7 3400 1 1 25 TRP HE3 H 17.023 1.577 3.510 1.00 . A A . 25 TRP HE3 1 1 7 3401 1 1 25 TRP HH2 H 16.127 0.819 7.615 1.00 . A A . 25 TRP HH2 1 1 7 3402 1 1 25 TRP HZ2 H 13.935 -0.126 7.035 1.00 . A A . 25 TRP HZ2 1 1 7 3403 1 1 25 TRP HZ3 H 17.641 1.652 5.891 1.00 . A A . 25 TRP HZ3 1 1 7 3404 1 1 25 TRP N N 15.308 3.011 0.244 1.00 . A A . 25 TRP N 1 1 7 3405 1 1 25 TRP NE1 N 13.105 -0.267 4.310 1.00 . A A . 25 TRP NE1 1 1 7 3406 1 1 25 TRP O O 13.781 2.969 2.867 1.00 . A A . 25 TRP O 1 1 7 3407 1 1 26 CYS C C 11.285 3.053 3.637 1.00 . A A . 26 CYS C 1 1 7 3408 1 1 26 CYS CA C 11.164 3.617 2.224 1.00 . A A . 26 CYS CA 1 1 7 3409 1 1 26 CYS CB C 9.745 3.401 1.696 1.00 . A A . 26 CYS CB 1 1 7 3410 1 1 26 CYS H H 11.869 2.777 0.414 1.00 . A A . 26 CYS H 1 1 7 3411 1 1 26 CYS HA H 11.371 4.677 2.255 1.00 . A A . 26 CYS HA 1 1 7 3412 1 1 26 CYS HB2 H 9.624 2.363 1.423 1.00 . A A . 26 CYS HB2 1 1 7 3413 1 1 26 CYS HB3 H 9.037 3.648 2.474 1.00 . A A . 26 CYS HB3 1 1 7 3414 1 1 26 CYS N N 12.136 2.997 1.334 1.00 . A A . 26 CYS N 1 1 7 3415 1 1 26 CYS O O 11.320 1.837 3.829 1.00 . A A . 26 CYS O 1 1 7 3416 1 1 26 CYS SG S 9.333 4.408 0.233 1.00 . A A . 26 CYS SG 1 1 7 3417 1 1 27 ARG C C 10.088 3.251 6.616 1.00 . A A . 27 ARG C 1 1 7 3418 1 1 27 ARG CA C 11.462 3.534 6.014 1.00 . A A . 27 ARG CA 1 1 7 3419 1 1 27 ARG CB C 12.173 4.617 6.830 1.00 . A A . 27 ARG CB 1 1 7 3420 1 1 27 ARG CD C 14.361 3.695 7.649 1.00 . A A . 27 ARG CD 1 1 7 3421 1 1 27 ARG CG C 13.683 4.621 6.652 1.00 . A A . 27 ARG CG 1 1 7 3422 1 1 27 ARG CZ C 16.375 4.992 8.206 1.00 . A A . 27 ARG CZ 1 1 7 3423 1 1 27 ARG H H 11.311 4.899 4.406 1.00 . A A . 27 ARG H 1 1 7 3424 1 1 27 ARG HA H 12.049 2.629 6.049 1.00 . A A . 27 ARG HA 1 1 7 3425 1 1 27 ARG HB2 H 11.795 5.583 6.529 1.00 . A A . 27 ARG HB2 1 1 7 3426 1 1 27 ARG HB3 H 11.955 4.465 7.876 1.00 . A A . 27 ARG HB3 1 1 7 3427 1 1 27 ARG HD2 H 13.951 3.881 8.629 1.00 . A A . 27 ARG HD2 1 1 7 3428 1 1 27 ARG HD3 H 14.167 2.674 7.363 1.00 . A A . 27 ARG HD3 1 1 7 3429 1 1 27 ARG HE H 16.380 3.203 7.322 1.00 . A A . 27 ARG HE 1 1 7 3430 1 1 27 ARG HG2 H 13.918 4.289 5.651 1.00 . A A . 27 ARG HG2 1 1 7 3431 1 1 27 ARG HG3 H 14.049 5.626 6.797 1.00 . A A . 27 ARG HG3 1 1 7 3432 1 1 27 ARG HH11 H 14.629 5.872 8.714 1.00 . A A . 27 ARG HH11 1 1 7 3433 1 1 27 ARG HH12 H 16.056 6.775 9.103 1.00 . A A . 27 ARG HH12 1 1 7 3434 1 1 27 ARG HH21 H 18.265 4.384 7.828 1.00 . A A . 27 ARG HH21 1 1 7 3435 1 1 27 ARG HH22 H 18.124 5.929 8.596 1.00 . A A . 27 ARG HH22 1 1 7 3436 1 1 27 ARG N N 11.345 3.943 4.622 1.00 . A A . 27 ARG N 1 1 7 3437 1 1 27 ARG NE N 15.807 3.906 7.693 1.00 . A A . 27 ARG NE 1 1 7 3438 1 1 27 ARG NH1 N 15.627 5.960 8.717 1.00 . A A . 27 ARG NH1 1 1 7 3439 1 1 27 ARG NH2 N 17.696 5.111 8.211 1.00 . A A . 27 ARG NH2 1 1 7 3440 1 1 27 ARG O O 9.873 3.431 7.815 1.00 . A A . 27 ARG O 1 1 7 3441 1 1 28 LYS C C 7.808 1.320 7.189 1.00 . A A . 28 LYS C 1 1 7 3442 1 1 28 LYS CA C 7.805 2.500 6.221 1.00 . A A . 28 LYS CA 1 1 7 3443 1 1 28 LYS CB C 6.911 2.186 5.019 1.00 . A A . 28 LYS CB 1 1 7 3444 1 1 28 LYS CD C 4.444 2.392 5.449 1.00 . A A . 28 LYS CD 1 1 7 3445 1 1 28 LYS CE C 4.217 2.696 6.922 1.00 . A A . 28 LYS CE 1 1 7 3446 1 1 28 LYS CG C 5.691 3.085 4.922 1.00 . A A . 28 LYS CG 1 1 7 3447 1 1 28 LYS H H 9.392 2.686 4.829 1.00 . A A . 28 LYS H 1 1 7 3448 1 1 28 LYS HA H 7.419 3.369 6.731 1.00 . A A . 28 LYS HA 1 1 7 3449 1 1 28 LYS HB2 H 7.489 2.301 4.115 1.00 . A A . 28 LYS HB2 1 1 7 3450 1 1 28 LYS HB3 H 6.573 1.164 5.095 1.00 . A A . 28 LYS HB3 1 1 7 3451 1 1 28 LYS HD2 H 3.588 2.735 4.887 1.00 . A A . 28 LYS HD2 1 1 7 3452 1 1 28 LYS HD3 H 4.556 1.325 5.323 1.00 . A A . 28 LYS HD3 1 1 7 3453 1 1 28 LYS HE2 H 4.836 2.036 7.510 1.00 . A A . 28 LYS HE2 1 1 7 3454 1 1 28 LYS HE3 H 4.505 3.720 7.113 1.00 . A A . 28 LYS HE3 1 1 7 3455 1 1 28 LYS HG2 H 5.864 3.980 5.501 1.00 . A A . 28 LYS HG2 1 1 7 3456 1 1 28 LYS HG3 H 5.532 3.352 3.886 1.00 . A A . 28 LYS HG3 1 1 7 3457 1 1 28 LYS HZ1 H 2.710 2.492 8.352 1.00 . A A . 28 LYS HZ1 1 1 7 3458 1 1 28 LYS HZ2 H 2.433 1.613 6.934 1.00 . A A . 28 LYS HZ2 1 1 7 3459 1 1 28 LYS HZ3 H 2.214 3.289 6.944 1.00 . A A . 28 LYS HZ3 1 1 7 3460 1 1 28 LYS N N 9.161 2.809 5.776 1.00 . A A . 28 LYS N 1 1 7 3461 1 1 28 LYS NZ N 2.794 2.510 7.315 1.00 . A A . 28 LYS NZ 1 1 7 3462 1 1 28 LYS O O 8.772 1.114 7.927 1.00 . A A . 28 LYS O 1 1 7 3463 1 1 29 ILE C C 7.799 -1.543 7.894 1.00 . A A . 29 ILE C 1 1 7 3464 1 1 29 ILE CA C 6.604 -0.608 8.052 1.00 . A A . 29 ILE CA 1 1 7 3465 1 1 29 ILE CB C 5.312 -1.396 7.767 1.00 . A A . 29 ILE CB 1 1 7 3466 1 1 29 ILE CD1 C 5.627 -1.349 5.241 1.00 . A A . 29 ILE CD1 1 1 7 3467 1 1 29 ILE CG1 C 5.456 -2.205 6.476 1.00 . A A . 29 ILE CG1 1 1 7 3468 1 1 29 ILE CG2 C 4.124 -0.450 7.674 1.00 . A A . 29 ILE CG2 1 1 7 3469 1 1 29 ILE H H 5.990 0.768 6.565 1.00 . A A . 29 ILE H 1 1 7 3470 1 1 29 ILE HA H 6.567 -0.254 9.071 1.00 . A A . 29 ILE HA 1 1 7 3471 1 1 29 ILE HB H 5.139 -2.072 8.590 1.00 . A A . 29 ILE HB 1 1 7 3472 1 1 29 ILE HD11 H 4.821 -0.635 5.181 1.00 . A A . 29 ILE HD11 1 1 7 3473 1 1 29 ILE HD12 H 6.570 -0.825 5.295 1.00 . A A . 29 ILE HD12 1 1 7 3474 1 1 29 ILE HD13 H 5.616 -1.979 4.363 1.00 . A A . 29 ILE HD13 1 1 7 3475 1 1 29 ILE HG12 H 6.318 -2.849 6.556 1.00 . A A . 29 ILE HG12 1 1 7 3476 1 1 29 ILE HG13 H 4.572 -2.812 6.339 1.00 . A A . 29 ILE HG13 1 1 7 3477 1 1 29 ILE HG21 H 4.115 0.201 8.535 1.00 . A A . 29 ILE HG21 1 1 7 3478 1 1 29 ILE HG22 H 4.206 0.143 6.776 1.00 . A A . 29 ILE HG22 1 1 7 3479 1 1 29 ILE HG23 H 3.209 -1.023 7.646 1.00 . A A . 29 ILE HG23 1 1 7 3480 1 1 29 ILE N N 6.726 0.551 7.177 1.00 . A A . 29 ILE N 1 1 7 3481 1 1 29 ILE O O 8.073 -2.369 8.767 1.00 . A A . 29 ILE O 1 1 7 3482 1 1 30 ILE C C 9.276 -3.676 6.229 1.00 . A A . 30 ILE C 1 1 7 3483 1 1 30 ILE CA C 9.678 -2.231 6.512 1.00 . A A . 30 ILE CA 1 1 7 3484 1 1 30 ILE CB C 10.668 -2.212 7.693 1.00 . A A . 30 ILE CB 1 1 7 3485 1 1 30 ILE CD1 C 11.203 0.184 7.018 1.00 . A A . 30 ILE CD1 1 1 7 3486 1 1 30 ILE CG1 C 10.915 -0.773 8.154 1.00 . A A . 30 ILE CG1 1 1 7 3487 1 1 30 ILE CG2 C 11.975 -2.880 7.302 1.00 . A A . 30 ILE CG2 1 1 7 3488 1 1 30 ILE H H 8.243 -0.728 6.125 1.00 . A A . 30 ILE H 1 1 7 3489 1 1 30 ILE HA H 10.179 -1.832 5.643 1.00 . A A . 30 ILE HA 1 1 7 3490 1 1 30 ILE HB H 10.235 -2.772 8.507 1.00 . A A . 30 ILE HB 1 1 7 3491 1 1 30 ILE HD11 H 10.358 0.209 6.346 1.00 . A A . 30 ILE HD11 1 1 7 3492 1 1 30 ILE HD12 H 11.376 1.171 7.416 1.00 . A A . 30 ILE HD12 1 1 7 3493 1 1 30 ILE HD13 H 12.080 -0.148 6.481 1.00 . A A . 30 ILE HD13 1 1 7 3494 1 1 30 ILE HG12 H 10.042 -0.414 8.676 1.00 . A A . 30 ILE HG12 1 1 7 3495 1 1 30 ILE HG13 H 11.763 -0.758 8.824 1.00 . A A . 30 ILE HG13 1 1 7 3496 1 1 30 ILE HG21 H 12.030 -2.963 6.226 1.00 . A A . 30 ILE HG21 1 1 7 3497 1 1 30 ILE HG22 H 12.804 -2.286 7.658 1.00 . A A . 30 ILE HG22 1 1 7 3498 1 1 30 ILE HG23 H 12.023 -3.864 7.740 1.00 . A A . 30 ILE HG23 1 1 7 3499 1 1 30 ILE N N 8.510 -1.404 6.781 1.00 . A A . 30 ILE N 1 1 7 3500 1 1 30 ILE O O 8.874 -4.408 7.131 1.00 . A A . 30 ILE O 1 1 8 3501 1 1 1 ARG C C -1.311 -5.577 2.166 1.00 . A A . 1 ARG C 1 1 8 3502 1 1 1 ARG CA C -1.059 -6.769 1.263 1.00 . A A . 1 ARG CA 1 1 8 3503 1 1 1 ARG H1 H -0.982 -8.734 2.049 1.00 . A A . 1 ARG H1 1 1 8 3504 1 1 1 ARG HA H 0.006 -6.881 1.120 1.00 . A A . 1 ARG HA 1 1 8 3505 1 1 1 ARG N N -1.591 -8.003 1.811 1.00 . A A . 1 ARG N 1 1 8 3506 1 1 1 ARG O O -2.219 -5.600 2.997 1.00 . A A . 1 ARG O 1 1 8 3507 1 1 2 TYR C C -0.400 -2.078 1.972 1.00 . A A . 2 TYR C 1 1 8 3508 1 1 2 TYR CA C -0.641 -3.329 2.812 1.00 . A A . 2 TYR CA 1 1 8 3509 1 1 2 TYR CB C 0.340 -3.364 3.986 1.00 . A A . 2 TYR CB 1 1 8 3510 1 1 2 TYR CD1 C 0.506 -5.747 4.806 1.00 . A A . 2 TYR CD1 1 1 8 3511 1 1 2 TYR CD2 C -0.712 -4.183 6.131 1.00 . A A . 2 TYR CD2 1 1 8 3512 1 1 2 TYR CE1 C 0.233 -6.743 5.723 1.00 . A A . 2 TYR CE1 1 1 8 3513 1 1 2 TYR CE2 C -0.989 -5.174 7.053 1.00 . A A . 2 TYR CE2 1 1 8 3514 1 1 2 TYR CG C 0.039 -4.452 4.992 1.00 . A A . 2 TYR CG 1 1 8 3515 1 1 2 TYR CZ C -0.513 -6.452 6.844 1.00 . A A . 2 TYR CZ 1 1 8 3516 1 1 2 TYR H H 0.201 -4.575 1.324 1.00 . A A . 2 TYR H 1 1 8 3517 1 1 2 TYR HA H -1.650 -3.302 3.198 1.00 . A A . 2 TYR HA 1 1 8 3518 1 1 2 TYR HB2 H 1.336 -3.529 3.608 1.00 . A A . 2 TYR HB2 1 1 8 3519 1 1 2 TYR HB3 H 0.307 -2.416 4.501 1.00 . A A . 2 TYR HB3 1 1 8 3520 1 1 2 TYR HD1 H 1.091 -5.973 3.926 1.00 . A A . 2 TYR HD1 1 1 8 3521 1 1 2 TYR HD2 H -1.085 -3.182 6.290 1.00 . A A . 2 TYR HD2 1 1 8 3522 1 1 2 TYR HE1 H 0.605 -7.744 5.561 1.00 . A A . 2 TYR HE1 1 1 8 3523 1 1 2 TYR HE2 H -1.573 -4.947 7.932 1.00 . A A . 2 TYR HE2 1 1 8 3524 1 1 2 TYR HH H -1.530 -7.967 7.454 1.00 . A A . 2 TYR HH 1 1 8 3525 1 1 2 TYR N N -0.504 -4.534 2.001 1.00 . A A . 2 TYR N 1 1 8 3526 1 1 2 TYR O O -1.334 -1.340 1.656 1.00 . A A . 2 TYR O 1 1 8 3527 1 1 2 TYR OH O -0.786 -7.442 7.761 1.00 . A A . 2 TYR OH 1 1 8 3528 1 1 3 CYS C C 1.682 -1.112 -0.582 1.00 . A A . 3 CYS C 1 1 8 3529 1 1 3 CYS CA C 1.224 -0.688 0.810 1.00 . A A . 3 CYS CA 1 1 8 3530 1 1 3 CYS CB C 2.329 0.111 1.502 1.00 . A A . 3 CYS CB 1 1 8 3531 1 1 3 CYS H H 1.559 -2.473 1.895 1.00 . A A . 3 CYS H 1 1 8 3532 1 1 3 CYS HA H 0.349 -0.062 0.710 1.00 . A A . 3 CYS HA 1 1 8 3533 1 1 3 CYS HB2 H 2.594 -0.382 2.425 1.00 . A A . 3 CYS HB2 1 1 8 3534 1 1 3 CYS HB3 H 3.196 0.144 0.856 1.00 . A A . 3 CYS HB3 1 1 8 3535 1 1 3 CYS N N 0.857 -1.848 1.614 1.00 . A A . 3 CYS N 1 1 8 3536 1 1 3 CYS O O 1.393 -2.220 -1.030 1.00 . A A . 3 CYS O 1 1 8 3537 1 1 3 CYS SG S 1.870 1.826 1.905 1.00 . A A . 3 CYS SG 1 1 8 3538 1 1 4 GLN C C 4.415 -0.654 -2.597 1.00 . A A . 4 GLN C 1 1 8 3539 1 1 4 GLN CA C 2.898 -0.506 -2.601 1.00 . A A . 4 GLN CA 1 1 8 3540 1 1 4 GLN CB C 2.486 0.608 -3.568 1.00 . A A . 4 GLN CB 1 1 8 3541 1 1 4 GLN CD C -0.013 0.434 -3.226 1.00 . A A . 4 GLN CD 1 1 8 3542 1 1 4 GLN CG C 1.210 1.328 -3.156 1.00 . A A . 4 GLN CG 1 1 8 3543 1 1 4 GLN H H 2.597 0.645 -0.851 1.00 . A A . 4 GLN H 1 1 8 3544 1 1 4 GLN HA H 2.458 -1.434 -2.929 1.00 . A A . 4 GLN HA 1 1 8 3545 1 1 4 GLN HB2 H 3.281 1.334 -3.623 1.00 . A A . 4 GLN HB2 1 1 8 3546 1 1 4 GLN HB3 H 2.331 0.179 -4.546 1.00 . A A . 4 GLN HB3 1 1 8 3547 1 1 4 GLN HE21 H -0.893 1.486 -1.789 1.00 . A A . 4 GLN HE21 1 1 8 3548 1 1 4 GLN HE22 H -1.807 0.162 -2.416 1.00 . A A . 4 GLN HE22 1 1 8 3549 1 1 4 GLN HG2 H 1.323 1.681 -2.143 1.00 . A A . 4 GLN HG2 1 1 8 3550 1 1 4 GLN HG3 H 1.060 2.169 -3.817 1.00 . A A . 4 GLN HG3 1 1 8 3551 1 1 4 GLN N N 2.398 -0.222 -1.261 1.00 . A A . 4 GLN N 1 1 8 3552 1 1 4 GLN NE2 N -1.005 0.722 -2.392 1.00 . A A . 4 GLN NE2 1 1 8 3553 1 1 4 GLN O O 5.144 0.296 -2.885 1.00 . A A . 4 GLN O 1 1 8 3554 1 1 4 GLN OE1 O -0.065 -0.506 -4.020 1.00 . A A . 4 GLN OE1 1 1 8 3555 1 1 5 LYS C C 7.098 -0.892 -1.794 1.00 . A A . 5 LYS C 1 1 8 3556 1 1 5 LYS CA C 6.318 -2.128 -2.229 1.00 . A A . 5 LYS CA 1 1 8 3557 1 1 5 LYS CB C 6.807 -2.595 -3.602 1.00 . A A . 5 LYS CB 1 1 8 3558 1 1 5 LYS CD C 5.901 -4.264 -5.248 1.00 . A A . 5 LYS CD 1 1 8 3559 1 1 5 LYS CE C 6.550 -5.417 -5.997 1.00 . A A . 5 LYS CE 1 1 8 3560 1 1 5 LYS CG C 6.533 -4.063 -3.879 1.00 . A A . 5 LYS CG 1 1 8 3561 1 1 5 LYS H H 4.256 -2.571 -2.051 1.00 . A A . 5 LYS H 1 1 8 3562 1 1 5 LYS HA H 6.483 -2.916 -1.510 1.00 . A A . 5 LYS HA 1 1 8 3563 1 1 5 LYS HB2 H 6.317 -2.009 -4.365 1.00 . A A . 5 LYS HB2 1 1 8 3564 1 1 5 LYS HB3 H 7.874 -2.431 -3.666 1.00 . A A . 5 LYS HB3 1 1 8 3565 1 1 5 LYS HD2 H 4.849 -4.477 -5.121 1.00 . A A . 5 LYS HD2 1 1 8 3566 1 1 5 LYS HD3 H 6.020 -3.359 -5.824 1.00 . A A . 5 LYS HD3 1 1 8 3567 1 1 5 LYS HE2 H 7.393 -5.038 -6.555 1.00 . A A . 5 LYS HE2 1 1 8 3568 1 1 5 LYS HE3 H 6.894 -6.148 -5.278 1.00 . A A . 5 LYS HE3 1 1 8 3569 1 1 5 LYS HG2 H 7.466 -4.607 -3.842 1.00 . A A . 5 LYS HG2 1 1 8 3570 1 1 5 LYS HG3 H 5.861 -4.443 -3.123 1.00 . A A . 5 LYS HG3 1 1 8 3571 1 1 5 LYS HZ1 H 6.044 -6.909 -7.368 1.00 . A A . 5 LYS HZ1 1 1 8 3572 1 1 5 LYS HZ2 H 5.333 -5.409 -7.693 1.00 . A A . 5 LYS HZ2 1 1 8 3573 1 1 5 LYS HZ3 H 4.743 -6.369 -6.431 1.00 . A A . 5 LYS HZ3 1 1 8 3574 1 1 5 LYS N N 4.887 -1.853 -2.270 1.00 . A A . 5 LYS N 1 1 8 3575 1 1 5 LYS NZ N 5.601 -6.071 -6.938 1.00 . A A . 5 LYS NZ 1 1 8 3576 1 1 5 LYS O O 8.068 -0.498 -2.440 1.00 . A A . 5 LYS O 1 1 8 3577 1 1 6 TRP C C 8.843 0.790 -0.300 1.00 . A A . 6 TRP C 1 1 8 3578 1 1 6 TRP CA C 7.327 0.905 -0.169 1.00 . A A . 6 TRP CA 1 1 8 3579 1 1 6 TRP CB C 6.945 1.123 1.296 1.00 . A A . 6 TRP CB 1 1 8 3580 1 1 6 TRP CD1 C 8.570 0.759 3.245 1.00 . A A . 6 TRP CD1 1 1 8 3581 1 1 6 TRP CD2 C 7.828 -1.130 2.299 1.00 . A A . 6 TRP CD2 1 1 8 3582 1 1 6 TRP CE2 C 8.706 -1.468 3.348 1.00 . A A . 6 TRP CE2 1 1 8 3583 1 1 6 TRP CE3 C 7.237 -2.159 1.560 1.00 . A A . 6 TRP CE3 1 1 8 3584 1 1 6 TRP CG C 7.755 0.299 2.251 1.00 . A A . 6 TRP CG 1 1 8 3585 1 1 6 TRP CH2 C 8.414 -3.774 2.932 1.00 . A A . 6 TRP CH2 1 1 8 3586 1 1 6 TRP CZ2 C 9.006 -2.787 3.672 1.00 . A A . 6 TRP CZ2 1 1 8 3587 1 1 6 TRP CZ3 C 7.535 -3.468 1.883 1.00 . A A . 6 TRP CZ3 1 1 8 3588 1 1 6 TRP H H 5.888 -0.648 -0.220 1.00 . A A . 6 TRP H 1 1 8 3589 1 1 6 TRP HA H 6.991 1.751 -0.750 1.00 . A A . 6 TRP HA 1 1 8 3590 1 1 6 TRP HB2 H 7.090 2.163 1.547 1.00 . A A . 6 TRP HB2 1 1 8 3591 1 1 6 TRP HB3 H 5.905 0.864 1.430 1.00 . A A . 6 TRP HB3 1 1 8 3592 1 1 6 TRP HD1 H 8.729 1.804 3.464 1.00 . A A . 6 TRP HD1 1 1 8 3593 1 1 6 TRP HE1 H 9.769 -0.222 4.660 1.00 . A A . 6 TRP HE1 1 1 8 3594 1 1 6 TRP HE3 H 6.559 -1.943 0.747 1.00 . A A . 6 TRP HE3 1 1 8 3595 1 1 6 TRP HH2 H 8.617 -4.810 3.150 1.00 . A A . 6 TRP HH2 1 1 8 3596 1 1 6 TRP HZ2 H 9.679 -3.039 4.479 1.00 . A A . 6 TRP HZ2 1 1 8 3597 1 1 6 TRP HZ3 H 7.089 -4.277 1.323 1.00 . A A . 6 TRP HZ3 1 1 8 3598 1 1 6 TRP N N 6.668 -0.286 -0.693 1.00 . A A . 6 TRP N 1 1 8 3599 1 1 6 TRP NE1 N 9.145 -0.297 3.909 1.00 . A A . 6 TRP NE1 1 1 8 3600 1 1 6 TRP O O 9.570 1.768 -0.496 1.00 . A A . 6 TRP O 1 1 8 3601 1 1 7 NLE C C 11.594 -0.019 -1.298 1.00 . A A . 7 NLE C 1 1 8 3602 1 1 7 NLE CA C 10.820 -0.718 -0.123 1.00 . A A . 7 NLE CA 1 1 8 3603 1 1 7 NLE CB C 10.998 -2.260 -0.066 1.00 . A A . 7 NLE CB 1 1 8 3604 1 1 7 NLE CD C 12.558 -3.898 1.164 1.00 . A A . 7 NLE CD 1 1 8 3605 1 1 7 NLE CE C 13.281 -5.024 0.555 1.00 . A A . 7 NLE CE 1 1 8 3606 1 1 7 NLE CG C 12.459 -2.726 0.174 1.00 . A A . 7 NLE CG 1 1 8 3607 1 1 7 NLE H H 8.652 -1.175 -0.030 1.00 . A A . 7 NLE H 1 1 8 3608 1 1 7 NLE HA H 11.222 -0.336 0.837 1.00 . A A . 7 NLE HA 1 1 8 3609 1 1 7 NLE HB2 H 10.367 -2.674 0.745 1.00 . A A . 7 NLE HB2 1 1 8 3610 1 1 7 NLE HB3 H 10.617 -2.722 -0.998 1.00 . A A . 7 NLE HB3 1 1 8 3611 1 1 7 NLE HD2 H 13.083 -3.590 2.092 1.00 . A A . 7 NLE HD2 1 1 8 3612 1 1 7 NLE HD3 H 11.553 -4.235 1.483 1.00 . A A . 7 NLE HD3 1 1 8 3613 1 1 7 NLE HE1 H 14.241 -4.746 0.311 1.00 . A A . 7 NLE HE1 1 1 8 3614 1 1 7 NLE HE2 H 13.329 -5.805 1.224 1.00 . A A . 7 NLE HE2 1 1 8 3615 1 1 7 NLE HE3 H 12.797 -5.352 -0.291 1.00 . A A . 7 NLE HE3 1 1 8 3616 1 1 7 NLE HG2 H 12.926 -3.028 -0.784 1.00 . A A . 7 NLE HG2 1 1 8 3617 1 1 7 NLE HG3 H 13.083 -1.890 0.548 1.00 . A A . 7 NLE HG3 1 1 8 3618 1 1 7 NLE N N 9.355 -0.448 -0.191 1.00 . A A . 7 NLE N 1 1 8 3619 1 1 7 NLE O O 12.822 0.058 -1.258 1.00 . A A . 7 NLE O 1 1 8 3620 1 1 8 TRP C C 12.525 2.181 -2.939 1.00 . A A . 8 TRP C 1 1 8 3621 1 1 8 TRP CA C 11.488 1.169 -3.418 1.00 . A A . 8 TRP CA 1 1 8 3622 1 1 8 TRP CB C 10.423 1.872 -4.262 1.00 . A A . 8 TRP CB 1 1 8 3623 1 1 8 TRP CD1 C 9.472 -0.375 -5.047 1.00 . A A . 8 TRP CD1 1 1 8 3624 1 1 8 TRP CD2 C 7.972 1.287 -4.979 1.00 . A A . 8 TRP CD2 1 1 8 3625 1 1 8 TRP CE2 C 7.327 0.117 -5.424 1.00 . A A . 8 TRP CE2 1 1 8 3626 1 1 8 TRP CE3 C 7.226 2.463 -4.855 1.00 . A A . 8 TRP CE3 1 1 8 3627 1 1 8 TRP CG C 9.344 0.951 -4.744 1.00 . A A . 8 TRP CG 1 1 8 3628 1 1 8 TRP CH2 C 5.265 1.255 -5.616 1.00 . A A . 8 TRP CH2 1 1 8 3629 1 1 8 TRP CZ2 C 5.972 0.091 -5.744 1.00 . A A . 8 TRP CZ2 1 1 8 3630 1 1 8 TRP CZ3 C 5.883 2.436 -5.176 1.00 . A A . 8 TRP CZ3 1 1 8 3631 1 1 8 TRP H H 9.892 0.392 -2.264 1.00 . A A . 8 TRP H 1 1 8 3632 1 1 8 TRP HA H 11.983 0.425 -4.026 1.00 . A A . 8 TRP HA 1 1 8 3633 1 1 8 TRP HB2 H 9.961 2.649 -3.671 1.00 . A A . 8 TRP HB2 1 1 8 3634 1 1 8 TRP HB3 H 10.895 2.316 -5.127 1.00 . A A . 8 TRP HB3 1 1 8 3635 1 1 8 TRP HD1 H 10.395 -0.928 -4.973 1.00 . A A . 8 TRP HD1 1 1 8 3636 1 1 8 TRP HE1 H 8.098 -1.810 -5.728 1.00 . A A . 8 TRP HE1 1 1 8 3637 1 1 8 TRP HE3 H 7.684 3.382 -4.519 1.00 . A A . 8 TRP HE3 1 1 8 3638 1 1 8 TRP HH2 H 4.214 1.281 -5.854 1.00 . A A . 8 TRP HH2 1 1 8 3639 1 1 8 TRP HZ2 H 5.483 -0.810 -6.084 1.00 . A A . 8 TRP HZ2 1 1 8 3640 1 1 8 TRP HZ3 H 5.290 3.335 -5.088 1.00 . A A . 8 TRP HZ3 1 1 8 3641 1 1 8 TRP N N 10.868 0.484 -2.289 1.00 . A A . 8 TRP N 1 1 8 3642 1 1 8 TRP NE1 N 8.263 -0.882 -5.458 1.00 . A A . 8 TRP NE1 1 1 8 3643 1 1 8 TRP O O 12.552 2.547 -1.763 1.00 . A A . 8 TRP O 1 1 8 3644 1 1 9 THR C C 13.867 5.020 -3.555 1.00 . A A . 9 THR C 1 1 8 3645 1 1 9 THR CA C 14.413 3.597 -3.526 1.00 . A A . 9 THR CA 1 1 8 3646 1 1 9 THR CB C 15.606 3.496 -4.497 1.00 . A A . 9 THR CB 1 1 8 3647 1 1 9 THR CG2 C 16.554 2.384 -4.076 1.00 . A A . 9 THR CG2 1 1 8 3648 1 1 9 THR H H 13.304 2.298 -4.775 1.00 . A A . 9 THR H 1 1 8 3649 1 1 9 THR HA H 14.770 3.377 -2.530 1.00 . A A . 9 THR HA 1 1 8 3650 1 1 9 THR HB H 16.144 4.434 -4.482 1.00 . A A . 9 THR HB 1 1 8 3651 1 1 9 THR HG1 H 15.774 3.580 -6.461 1.00 . A A . 9 THR HG1 1 1 8 3652 1 1 9 THR HG21 H 16.513 2.264 -3.003 1.00 . A A . 9 THR HG21 1 1 8 3653 1 1 9 THR HG22 H 17.562 2.641 -4.370 1.00 . A A . 9 THR HG22 1 1 8 3654 1 1 9 THR HG23 H 16.262 1.462 -4.555 1.00 . A A . 9 THR HG23 1 1 8 3655 1 1 9 THR N N 13.376 2.628 -3.855 1.00 . A A . 9 THR N 1 1 8 3656 1 1 9 THR O O 14.232 5.817 -4.420 1.00 . A A . 9 THR O 1 1 8 3657 1 1 9 THR OG1 O 15.133 3.248 -5.827 1.00 . A A . 9 THR OG1 1 1 8 3658 1 1 10 CYS C C 13.427 7.741 -2.830 1.00 . A A . 10 CYS C 1 1 8 3659 1 1 10 CYS CA C 12.395 6.659 -2.523 1.00 . A A . 10 CYS CA 1 1 8 3660 1 1 10 CYS CB C 11.800 6.888 -1.130 1.00 . A A . 10 CYS CB 1 1 8 3661 1 1 10 CYS H H 12.740 4.653 -1.946 1.00 . A A . 10 CYS H 1 1 8 3662 1 1 10 CYS HA H 11.604 6.716 -3.255 1.00 . A A . 10 CYS HA 1 1 8 3663 1 1 10 CYS HB2 H 11.150 7.749 -1.165 1.00 . A A . 10 CYS HB2 1 1 8 3664 1 1 10 CYS HB3 H 11.226 6.018 -0.848 1.00 . A A . 10 CYS HB3 1 1 8 3665 1 1 10 CYS N N 12.993 5.332 -2.606 1.00 . A A . 10 CYS N 1 1 8 3666 1 1 10 CYS O O 14.586 7.641 -2.421 1.00 . A A . 10 CYS O 1 1 8 3667 1 1 10 CYS SG S 13.042 7.182 0.168 1.00 . A A . 10 CYS SG 1 1 8 3668 1 1 11 ASP C C 13.084 11.087 -4.373 1.00 . A A . 11 ASP C 1 1 8 3669 1 1 11 ASP CA C 13.887 9.874 -3.911 1.00 . A A . 11 ASP CA 1 1 8 3670 1 1 11 ASP CB C 14.855 9.436 -5.013 1.00 . A A . 11 ASP CB 1 1 8 3671 1 1 11 ASP CG C 14.272 8.352 -5.900 1.00 . A A . 11 ASP CG 1 1 8 3672 1 1 11 ASP H H 12.065 8.793 -3.845 1.00 . A A . 11 ASP H 1 1 8 3673 1 1 11 ASP HA H 14.453 10.143 -3.033 1.00 . A A . 11 ASP HA 1 1 8 3674 1 1 11 ASP HB2 H 15.094 10.289 -5.632 1.00 . A A . 11 ASP HB2 1 1 8 3675 1 1 11 ASP HB3 H 15.759 9.058 -4.562 1.00 . A A . 11 ASP HB3 1 1 8 3676 1 1 11 ASP N N 13.001 8.771 -3.552 1.00 . A A . 11 ASP N 1 1 8 3677 1 1 11 ASP O O 12.873 12.027 -3.609 1.00 . A A . 11 ASP O 1 1 8 3678 1 1 11 ASP OD1 O 15.018 7.420 -6.266 1.00 . A A . 11 ASP OD1 1 1 8 3679 1 1 11 ASP OD2 O 13.068 8.434 -6.225 1.00 . A A . 11 ASP OD2 1 1 8 3680 1 1 12 SER C C 10.402 11.773 -6.330 1.00 . A A . 12 SER C 1 1 8 3681 1 1 12 SER CA C 11.873 12.158 -6.189 1.00 . A A . 12 SER CA 1 1 8 3682 1 1 12 SER CB C 12.438 12.560 -7.553 1.00 . A A . 12 SER CB 1 1 8 3683 1 1 12 SER H H 12.847 10.278 -6.185 1.00 . A A . 12 SER H 1 1 8 3684 1 1 12 SER HA H 11.949 12.996 -5.514 1.00 . A A . 12 SER HA 1 1 8 3685 1 1 12 SER HB2 H 13.122 11.800 -7.894 1.00 . A A . 12 SER HB2 1 1 8 3686 1 1 12 SER HB3 H 11.627 12.660 -8.260 1.00 . A A . 12 SER HB3 1 1 8 3687 1 1 12 SER HG H 12.679 14.375 -6.855 1.00 . A A . 12 SER HG 1 1 8 3688 1 1 12 SER N N 12.645 11.058 -5.625 1.00 . A A . 12 SER N 1 1 8 3689 1 1 12 SER O O 9.556 12.207 -5.548 1.00 . A A . 12 SER O 1 1 8 3690 1 1 12 SER OG O 13.128 13.794 -7.472 1.00 . A A . 12 SER OG 1 1 8 3691 1 1 13 LYS C C 8.093 10.000 -6.291 1.00 . A A . 13 LYS C 1 1 8 3692 1 1 13 LYS CA C 8.738 10.507 -7.576 1.00 . A A . 13 LYS CA 1 1 8 3693 1 1 13 LYS CB C 8.722 9.403 -8.636 1.00 . A A . 13 LYS CB 1 1 8 3694 1 1 13 LYS CD C 9.414 8.662 -10.935 1.00 . A A . 13 LYS CD 1 1 8 3695 1 1 13 LYS CE C 8.165 8.557 -11.798 1.00 . A A . 13 LYS CE 1 1 8 3696 1 1 13 LYS CG C 9.325 9.828 -9.965 1.00 . A A . 13 LYS CG 1 1 8 3697 1 1 13 LYS H H 10.822 10.639 -7.921 1.00 . A A . 13 LYS H 1 1 8 3698 1 1 13 LYS HA H 8.173 11.352 -7.940 1.00 . A A . 13 LYS HA 1 1 8 3699 1 1 13 LYS HB2 H 9.280 8.557 -8.266 1.00 . A A . 13 LYS HB2 1 1 8 3700 1 1 13 LYS HB3 H 7.700 9.102 -8.811 1.00 . A A . 13 LYS HB3 1 1 8 3701 1 1 13 LYS HD2 H 10.270 8.801 -11.577 1.00 . A A . 13 LYS HD2 1 1 8 3702 1 1 13 LYS HD3 H 9.529 7.745 -10.373 1.00 . A A . 13 LYS HD3 1 1 8 3703 1 1 13 LYS HE2 H 7.952 7.515 -11.978 1.00 . A A . 13 LYS HE2 1 1 8 3704 1 1 13 LYS HE3 H 7.339 9.009 -11.267 1.00 . A A . 13 LYS HE3 1 1 8 3705 1 1 13 LYS HG2 H 8.706 10.599 -10.401 1.00 . A A . 13 LYS HG2 1 1 8 3706 1 1 13 LYS HG3 H 10.319 10.216 -9.791 1.00 . A A . 13 LYS HG3 1 1 8 3707 1 1 13 LYS HZ1 H 8.301 8.559 -13.883 1.00 . A A . 13 LYS HZ1 1 1 8 3708 1 1 13 LYS HZ2 H 9.254 9.739 -13.134 1.00 . A A . 13 LYS HZ2 1 1 8 3709 1 1 13 LYS HZ3 H 7.578 9.947 -13.243 1.00 . A A . 13 LYS HZ3 1 1 8 3710 1 1 13 LYS N N 10.105 10.953 -7.331 1.00 . A A . 13 LYS N 1 1 8 3711 1 1 13 LYS NZ N 8.336 9.250 -13.105 1.00 . A A . 13 LYS NZ 1 1 8 3712 1 1 13 LYS O O 7.003 10.432 -5.920 1.00 . A A . 13 LYS O 1 1 8 3713 1 1 14 ARG C C 6.819 8.060 -4.530 1.00 . A A . 14 ARG C 1 1 8 3714 1 1 14 ARG CA C 8.268 8.515 -4.369 1.00 . A A . 14 ARG CA 1 1 8 3715 1 1 14 ARG CB C 8.371 9.541 -3.241 1.00 . A A . 14 ARG CB 1 1 8 3716 1 1 14 ARG CD C 9.820 11.535 -2.746 1.00 . A A . 14 ARG CD 1 1 8 3717 1 1 14 ARG CG C 9.786 10.034 -2.992 1.00 . A A . 14 ARG CG 1 1 8 3718 1 1 14 ARG CZ C 9.163 11.880 -0.403 1.00 . A A . 14 ARG CZ 1 1 8 3719 1 1 14 ARG H H 9.638 8.774 -5.960 1.00 . A A . 14 ARG H 1 1 8 3720 1 1 14 ARG HA H 8.876 7.658 -4.122 1.00 . A A . 14 ARG HA 1 1 8 3721 1 1 14 ARG HB2 H 7.753 10.393 -3.485 1.00 . A A . 14 ARG HB2 1 1 8 3722 1 1 14 ARG HB3 H 8.004 9.093 -2.328 1.00 . A A . 14 ARG HB3 1 1 8 3723 1 1 14 ARG HD2 H 10.591 11.970 -3.365 1.00 . A A . 14 ARG HD2 1 1 8 3724 1 1 14 ARG HD3 H 8.862 11.951 -3.019 1.00 . A A . 14 ARG HD3 1 1 8 3725 1 1 14 ARG HE H 11.021 12.061 -1.105 1.00 . A A . 14 ARG HE 1 1 8 3726 1 1 14 ARG HG2 H 10.187 9.530 -2.124 1.00 . A A . 14 ARG HG2 1 1 8 3727 1 1 14 ARG HG3 H 10.393 9.805 -3.856 1.00 . A A . 14 ARG HG3 1 1 8 3728 1 1 14 ARG HH11 H 7.651 11.377 -1.643 1.00 . A A . 14 ARG HH11 1 1 8 3729 1 1 14 ARG HH12 H 7.202 11.623 0.011 1.00 . A A . 14 ARG HH12 1 1 8 3730 1 1 14 ARG HH21 H 10.443 12.387 1.078 1.00 . A A . 14 ARG HH21 1 1 8 3731 1 1 14 ARG HH22 H 8.789 12.199 1.559 1.00 . A A . 14 ARG HH22 1 1 8 3732 1 1 14 ARG N N 8.776 9.079 -5.615 1.00 . A A . 14 ARG N 1 1 8 3733 1 1 14 ARG NE N 10.095 11.854 -1.348 1.00 . A A . 14 ARG NE 1 1 8 3734 1 1 14 ARG NH1 N 7.900 11.605 -0.703 1.00 . A A . 14 ARG NH1 1 1 8 3735 1 1 14 ARG NH2 N 9.492 12.181 0.847 1.00 . A A . 14 ARG NH2 1 1 8 3736 1 1 14 ARG O O 5.889 8.775 -4.156 1.00 . A A . 14 ARG O 1 1 8 3737 1 1 15 ALA C C 4.831 5.544 -4.067 1.00 . A A . 15 ALA C 1 1 8 3738 1 1 15 ALA CA C 5.302 6.318 -5.293 1.00 . A A . 15 ALA CA 1 1 8 3739 1 1 15 ALA CB C 5.284 5.425 -6.525 1.00 . A A . 15 ALA CB 1 1 8 3740 1 1 15 ALA H H 7.417 6.346 -5.364 1.00 . A A . 15 ALA H 1 1 8 3741 1 1 15 ALA HA H 4.625 7.143 -5.468 1.00 . A A . 15 ALA HA 1 1 8 3742 1 1 15 ALA HB1 H 6.110 4.727 -6.473 1.00 . A A . 15 ALA HB1 1 1 8 3743 1 1 15 ALA HB2 H 4.354 4.880 -6.560 1.00 . A A . 15 ALA HB2 1 1 8 3744 1 1 15 ALA HB3 H 5.382 6.031 -7.412 1.00 . A A . 15 ALA HB3 1 1 8 3745 1 1 15 ALA N N 6.636 6.870 -5.086 1.00 . A A . 15 ALA N 1 1 8 3746 1 1 15 ALA O O 3.833 4.826 -4.120 1.00 . A A . 15 ALA O 1 1 8 3747 1 1 16 CYS C C 4.044 5.697 -1.027 1.00 . A A . 16 CYS C 1 1 8 3748 1 1 16 CYS CA C 5.214 5.008 -1.725 1.00 . A A . 16 CYS CA 1 1 8 3749 1 1 16 CYS CB C 6.424 4.964 -0.790 1.00 . A A . 16 CYS CB 1 1 8 3750 1 1 16 CYS H H 6.341 6.282 -2.984 1.00 . A A . 16 CYS H 1 1 8 3751 1 1 16 CYS HA H 4.925 4.000 -1.973 1.00 . A A . 16 CYS HA 1 1 8 3752 1 1 16 CYS HB2 H 6.714 5.974 -0.541 1.00 . A A . 16 CYS HB2 1 1 8 3753 1 1 16 CYS HB3 H 6.152 4.439 0.115 1.00 . A A . 16 CYS HB3 1 1 8 3754 1 1 16 CYS N N 5.556 5.695 -2.964 1.00 . A A . 16 CYS N 1 1 8 3755 1 1 16 CYS O O 3.541 6.719 -1.496 1.00 . A A . 16 CYS O 1 1 8 3756 1 1 16 CYS SG S 7.880 4.130 -1.499 1.00 . A A . 16 CYS SG 1 1 8 3757 1 1 17 CYS C C 2.976 6.167 2.231 1.00 . A A . 17 CYS C 1 1 8 3758 1 1 17 CYS CA C 2.506 5.688 0.861 1.00 . A A . 17 CYS CA 1 1 8 3759 1 1 17 CYS CB C 1.397 4.646 1.024 1.00 . A A . 17 CYS CB 1 1 8 3760 1 1 17 CYS H H 4.056 4.318 0.421 1.00 . A A . 17 CYS H 1 1 8 3761 1 1 17 CYS HA H 2.116 6.533 0.312 1.00 . A A . 17 CYS HA 1 1 8 3762 1 1 17 CYS HB2 H 1.202 4.502 2.077 1.00 . A A . 17 CYS HB2 1 1 8 3763 1 1 17 CYS HB3 H 0.500 5.008 0.543 1.00 . A A . 17 CYS HB3 1 1 8 3764 1 1 17 CYS N N 3.615 5.130 0.096 1.00 . A A . 17 CYS N 1 1 8 3765 1 1 17 CYS O O 2.378 7.066 2.823 1.00 . A A . 17 CYS O 1 1 8 3766 1 1 17 CYS SG S 1.795 3.019 0.308 1.00 . A A . 17 CYS SG 1 1 8 3767 1 1 18 GLU C C 6.055 5.492 4.146 1.00 . A A . 18 GLU C 1 1 8 3768 1 1 18 GLU CA C 4.596 5.926 4.028 1.00 . A A . 18 GLU CA 1 1 8 3769 1 1 18 GLU CB C 3.773 5.289 5.152 1.00 . A A . 18 GLU CB 1 1 8 3770 1 1 18 GLU CD C 3.428 6.243 7.466 1.00 . A A . 18 GLU CD 1 1 8 3771 1 1 18 GLU CG C 4.366 5.497 6.535 1.00 . A A . 18 GLU CG 1 1 8 3772 1 1 18 GLU H H 4.480 4.851 2.209 1.00 . A A . 18 GLU H 1 1 8 3773 1 1 18 GLU HA H 4.544 6.999 4.122 1.00 . A A . 18 GLU HA 1 1 8 3774 1 1 18 GLU HB2 H 2.781 5.714 5.139 1.00 . A A . 18 GLU HB2 1 1 8 3775 1 1 18 GLU HB3 H 3.702 4.226 4.970 1.00 . A A . 18 GLU HB3 1 1 8 3776 1 1 18 GLU HG2 H 4.587 4.533 6.967 1.00 . A A . 18 GLU HG2 1 1 8 3777 1 1 18 GLU HG3 H 5.281 6.065 6.439 1.00 . A A . 18 GLU HG3 1 1 8 3778 1 1 18 GLU N N 4.048 5.562 2.729 1.00 . A A . 18 GLU N 1 1 8 3779 1 1 18 GLU O O 6.382 4.320 3.974 1.00 . A A . 18 GLU O 1 1 8 3780 1 1 18 GLU OE1 O 2.484 5.611 7.985 1.00 . A A . 18 GLU OE1 1 1 8 3781 1 1 18 GLU OE2 O 3.637 7.455 7.671 1.00 . A A . 18 GLU OE2 1 1 8 3782 1 1 19 GLY C C 9.161 6.683 3.411 1.00 . A A . 19 GLY C 1 1 8 3783 1 1 19 GLY CA C 8.342 6.150 4.571 1.00 . A A . 19 GLY CA 1 1 8 3784 1 1 19 GLY H H 6.611 7.370 4.565 1.00 . A A . 19 GLY H 1 1 8 3785 1 1 19 GLY HA2 H 8.709 6.591 5.487 1.00 . A A . 19 GLY HA2 1 1 8 3786 1 1 19 GLY HA3 H 8.467 5.079 4.624 1.00 . A A . 19 GLY HA3 1 1 8 3787 1 1 19 GLY N N 6.929 6.452 4.438 1.00 . A A . 19 GLY N 1 1 8 3788 1 1 19 GLY O O 10.383 6.536 3.385 1.00 . A A . 19 GLY O 1 1 8 3789 1 1 20 LEU C C 10.085 9.001 1.675 1.00 . A A . 20 LEU C 1 1 8 3790 1 1 20 LEU CA C 9.157 7.855 1.280 1.00 . A A . 20 LEU CA 1 1 8 3791 1 1 20 LEU CB C 8.128 8.349 0.260 1.00 . A A . 20 LEU CB 1 1 8 3792 1 1 20 LEU CD1 C 5.881 7.834 1.244 1.00 . A A . 20 LEU CD1 1 1 8 3793 1 1 20 LEU CD2 C 7.156 9.838 2.027 1.00 . A A . 20 LEU CD2 1 1 8 3794 1 1 20 LEU CG C 6.842 8.941 0.839 1.00 . A A . 20 LEU CG 1 1 8 3795 1 1 20 LEU H H 7.514 7.387 2.526 1.00 . A A . 20 LEU H 1 1 8 3796 1 1 20 LEU HA H 9.747 7.069 0.830 1.00 . A A . 20 LEU HA 1 1 8 3797 1 1 20 LEU HB2 H 8.598 9.108 -0.344 1.00 . A A . 20 LEU HB2 1 1 8 3798 1 1 20 LEU HB3 H 7.856 7.509 -0.365 1.00 . A A . 20 LEU HB3 1 1 8 3799 1 1 20 LEU HD11 H 6.365 6.876 1.128 1.00 . A A . 20 LEU HD11 1 1 8 3800 1 1 20 LEU HD12 H 5.003 7.871 0.615 1.00 . A A . 20 LEU HD12 1 1 8 3801 1 1 20 LEU HD13 H 5.591 7.971 2.275 1.00 . A A . 20 LEU HD13 1 1 8 3802 1 1 20 LEU HD21 H 7.272 9.232 2.914 1.00 . A A . 20 LEU HD21 1 1 8 3803 1 1 20 LEU HD22 H 6.345 10.538 2.173 1.00 . A A . 20 LEU HD22 1 1 8 3804 1 1 20 LEU HD23 H 8.069 10.379 1.837 1.00 . A A . 20 LEU HD23 1 1 8 3805 1 1 20 LEU HG H 6.358 9.542 0.083 1.00 . A A . 20 LEU HG 1 1 8 3806 1 1 20 LEU N N 8.486 7.301 2.449 1.00 . A A . 20 LEU N 1 1 8 3807 1 1 20 LEU O O 10.868 9.488 0.859 1.00 . A A . 20 LEU O 1 1 8 3808 1 1 21 ARG C C 12.204 9.994 3.838 1.00 . A A . 21 ARG C 1 1 8 3809 1 1 21 ARG CA C 10.825 10.507 3.437 1.00 . A A . 21 ARG CA 1 1 8 3810 1 1 21 ARG CB C 10.151 11.180 4.633 1.00 . A A . 21 ARG CB 1 1 8 3811 1 1 21 ARG CD C 10.434 10.944 7.120 1.00 . A A . 21 ARG CD 1 1 8 3812 1 1 21 ARG CG C 9.988 10.264 5.836 1.00 . A A . 21 ARG CG 1 1 8 3813 1 1 21 ARG CZ C 11.303 10.299 9.327 1.00 . A A . 21 ARG CZ 1 1 8 3814 1 1 21 ARG H H 9.350 8.993 3.534 1.00 . A A . 21 ARG H 1 1 8 3815 1 1 21 ARG HA H 10.939 11.233 2.645 1.00 . A A . 21 ARG HA 1 1 8 3816 1 1 21 ARG HB2 H 10.746 12.030 4.936 1.00 . A A . 21 ARG HB2 1 1 8 3817 1 1 21 ARG HB3 H 9.172 11.524 4.335 1.00 . A A . 21 ARG HB3 1 1 8 3818 1 1 21 ARG HD2 H 11.169 11.695 6.876 1.00 . A A . 21 ARG HD2 1 1 8 3819 1 1 21 ARG HD3 H 9.576 11.414 7.579 1.00 . A A . 21 ARG HD3 1 1 8 3820 1 1 21 ARG HE H 11.210 9.091 7.743 1.00 . A A . 21 ARG HE 1 1 8 3821 1 1 21 ARG HG2 H 8.946 9.991 5.929 1.00 . A A . 21 ARG HG2 1 1 8 3822 1 1 21 ARG HG3 H 10.582 9.376 5.682 1.00 . A A . 21 ARG HG3 1 1 8 3823 1 1 21 ARG HH11 H 10.654 12.207 9.193 1.00 . A A . 21 ARG HH11 1 1 8 3824 1 1 21 ARG HH12 H 11.268 11.740 10.744 1.00 . A A . 21 ARG HH12 1 1 8 3825 1 1 21 ARG HH21 H 12.022 8.465 9.780 1.00 . A A . 21 ARG HH21 1 1 8 3826 1 1 21 ARG HH22 H 12.048 9.610 11.075 1.00 . A A . 21 ARG HH22 1 1 8 3827 1 1 21 ARG N N 9.994 9.421 2.931 1.00 . A A . 21 ARG N 1 1 8 3828 1 1 21 ARG NE N 11.018 9.997 8.065 1.00 . A A . 21 ARG NE 1 1 8 3829 1 1 21 ARG NH1 N 11.055 11.516 9.793 1.00 . A A . 21 ARG NH1 1 1 8 3830 1 1 21 ARG NH2 N 11.835 9.382 10.128 1.00 . A A . 21 ARG NH2 1 1 8 3831 1 1 21 ARG O O 12.722 10.339 4.901 1.00 . A A . 21 ARG O 1 1 8 3832 1 1 22 CYS C C 15.055 8.848 2.069 1.00 . A A . 22 CYS C 1 1 8 3833 1 1 22 CYS CA C 14.113 8.605 3.246 1.00 . A A . 22 CYS CA 1 1 8 3834 1 1 22 CYS CB C 14.005 7.105 3.527 1.00 . A A . 22 CYS CB 1 1 8 3835 1 1 22 CYS H H 12.332 8.929 2.150 1.00 . A A . 22 CYS H 1 1 8 3836 1 1 22 CYS HA H 14.515 9.098 4.118 1.00 . A A . 22 CYS HA 1 1 8 3837 1 1 22 CYS HB2 H 14.961 6.741 3.873 1.00 . A A . 22 CYS HB2 1 1 8 3838 1 1 22 CYS HB3 H 13.265 6.943 4.296 1.00 . A A . 22 CYS HB3 1 1 8 3839 1 1 22 CYS N N 12.795 9.167 2.982 1.00 . A A . 22 CYS N 1 1 8 3840 1 1 22 CYS O O 14.854 9.770 1.279 1.00 . A A . 22 CYS O 1 1 8 3841 1 1 22 CYS SG S 13.528 6.111 2.077 1.00 . A A . 22 CYS SG 1 1 8 3842 1 1 23 LYS C C 16.768 7.114 -0.225 1.00 . A A . 23 LYS C 1 1 8 3843 1 1 23 LYS CA C 17.052 8.130 0.877 1.00 . A A . 23 LYS CA 1 1 8 3844 1 1 23 LYS CB C 18.471 7.931 1.416 1.00 . A A . 23 LYS CB 1 1 8 3845 1 1 23 LYS CD C 20.188 9.763 1.508 1.00 . A A . 23 LYS CD 1 1 8 3846 1 1 23 LYS CE C 19.187 10.813 1.965 1.00 . A A . 23 LYS CE 1 1 8 3847 1 1 23 LYS CG C 19.527 8.702 0.645 1.00 . A A . 23 LYS CG 1 1 8 3848 1 1 23 LYS H H 16.187 7.293 2.617 1.00 . A A . 23 LYS H 1 1 8 3849 1 1 23 LYS HA H 16.969 9.124 0.464 1.00 . A A . 23 LYS HA 1 1 8 3850 1 1 23 LYS HB2 H 18.500 8.255 2.446 1.00 . A A . 23 LYS HB2 1 1 8 3851 1 1 23 LYS HB3 H 18.716 6.881 1.368 1.00 . A A . 23 LYS HB3 1 1 8 3852 1 1 23 LYS HD2 H 20.617 9.289 2.378 1.00 . A A . 23 LYS HD2 1 1 8 3853 1 1 23 LYS HD3 H 20.969 10.247 0.937 1.00 . A A . 23 LYS HD3 1 1 8 3854 1 1 23 LYS HE2 H 19.468 11.766 1.545 1.00 . A A . 23 LYS HE2 1 1 8 3855 1 1 23 LYS HE3 H 18.206 10.536 1.607 1.00 . A A . 23 LYS HE3 1 1 8 3856 1 1 23 LYS HG2 H 20.285 8.013 0.298 1.00 . A A . 23 LYS HG2 1 1 8 3857 1 1 23 LYS HG3 H 19.062 9.183 -0.205 1.00 . A A . 23 LYS HG3 1 1 8 3858 1 1 23 LYS HZ1 H 19.242 11.929 3.731 1.00 . A A . 23 LYS HZ1 1 1 8 3859 1 1 23 LYS HZ2 H 19.922 10.386 3.874 1.00 . A A . 23 LYS HZ2 1 1 8 3860 1 1 23 LYS HZ3 H 18.243 10.566 3.811 1.00 . A A . 23 LYS HZ3 1 1 8 3861 1 1 23 LYS N N 16.080 8.011 1.957 1.00 . A A . 23 LYS N 1 1 8 3862 1 1 23 LYS NZ N 19.146 10.930 3.450 1.00 . A A . 23 LYS NZ 1 1 8 3863 1 1 23 LYS O O 16.907 7.415 -1.411 1.00 . A A . 23 LYS O 1 1 8 3864 1 1 24 LEU C C 14.857 4.039 -0.324 1.00 . A A . 24 LEU C 1 1 8 3865 1 1 24 LEU CA C 16.065 4.852 -0.780 1.00 . A A . 24 LEU CA 1 1 8 3866 1 1 24 LEU CB C 17.276 3.931 -0.954 1.00 . A A . 24 LEU CB 1 1 8 3867 1 1 24 LEU CD1 C 19.012 5.539 -1.780 1.00 . A A . 24 LEU CD1 1 1 8 3868 1 1 24 LEU CD2 C 19.164 3.119 -2.388 1.00 . A A . 24 LEU CD2 1 1 8 3869 1 1 24 LEU CG C 18.224 4.281 -2.103 1.00 . A A . 24 LEU CG 1 1 8 3870 1 1 24 LEU H H 16.278 5.732 1.133 1.00 . A A . 24 LEU H 1 1 8 3871 1 1 24 LEU HA H 15.836 5.316 -1.729 1.00 . A A . 24 LEU HA 1 1 8 3872 1 1 24 LEU HB2 H 17.843 3.954 -0.037 1.00 . A A . 24 LEU HB2 1 1 8 3873 1 1 24 LEU HB3 H 16.907 2.930 -1.123 1.00 . A A . 24 LEU HB3 1 1 8 3874 1 1 24 LEU HD11 H 18.854 5.808 -0.745 1.00 . A A . 24 LEU HD11 1 1 8 3875 1 1 24 LEU HD12 H 18.679 6.347 -2.415 1.00 . A A . 24 LEU HD12 1 1 8 3876 1 1 24 LEU HD13 H 20.063 5.360 -1.949 1.00 . A A . 24 LEU HD13 1 1 8 3877 1 1 24 LEU HD21 H 19.589 3.236 -3.374 1.00 . A A . 24 LEU HD21 1 1 8 3878 1 1 24 LEU HD22 H 18.613 2.191 -2.342 1.00 . A A . 24 LEU HD22 1 1 8 3879 1 1 24 LEU HD23 H 19.955 3.106 -1.655 1.00 . A A . 24 LEU HD23 1 1 8 3880 1 1 24 LEU HG H 17.643 4.471 -2.995 1.00 . A A . 24 LEU HG 1 1 8 3881 1 1 24 LEU N N 16.372 5.910 0.174 1.00 . A A . 24 LEU N 1 1 8 3882 1 1 24 LEU O O 13.713 4.402 -0.600 1.00 . A A . 24 LEU O 1 1 8 3883 1 1 25 TRP C C 13.139 2.839 1.826 1.00 . A A . 25 TRP C 1 1 8 3884 1 1 25 TRP CA C 14.051 2.080 0.871 1.00 . A A . 25 TRP CA 1 1 8 3885 1 1 25 TRP CB C 14.641 0.857 1.575 1.00 . A A . 25 TRP CB 1 1 8 3886 1 1 25 TRP CD1 C 12.965 0.139 3.375 1.00 . A A . 25 TRP CD1 1 1 8 3887 1 1 25 TRP CD2 C 14.836 1.070 4.177 1.00 . A A . 25 TRP CD2 1 1 8 3888 1 1 25 TRP CE2 C 14.007 0.724 5.262 1.00 . A A . 25 TRP CE2 1 1 8 3889 1 1 25 TRP CE3 C 16.073 1.669 4.440 1.00 . A A . 25 TRP CE3 1 1 8 3890 1 1 25 TRP CG C 14.153 0.687 2.981 1.00 . A A . 25 TRP CG 1 1 8 3891 1 1 25 TRP CH2 C 15.587 1.547 6.813 1.00 . A A . 25 TRP CH2 1 1 8 3892 1 1 25 TRP CZ2 C 14.372 0.959 6.584 1.00 . A A . 25 TRP CZ2 1 1 8 3893 1 1 25 TRP CZ3 C 16.433 1.903 5.754 1.00 . A A . 25 TRP CZ3 1 1 8 3894 1 1 25 TRP H H 16.051 2.704 0.562 1.00 . A A . 25 TRP H 1 1 8 3895 1 1 25 TRP HA H 13.472 1.749 0.021 1.00 . A A . 25 TRP HA 1 1 8 3896 1 1 25 TRP HB2 H 14.379 -0.032 1.020 1.00 . A A . 25 TRP HB2 1 1 8 3897 1 1 25 TRP HB3 H 15.718 0.952 1.604 1.00 . A A . 25 TRP HB3 1 1 8 3898 1 1 25 TRP HD1 H 12.219 -0.246 2.697 1.00 . A A . 25 TRP HD1 1 1 8 3899 1 1 25 TRP HE1 H 12.114 -0.178 5.268 1.00 . A A . 25 TRP HE1 1 1 8 3900 1 1 25 TRP HE3 H 16.738 1.950 3.639 1.00 . A A . 25 TRP HE3 1 1 8 3901 1 1 25 TRP HH2 H 15.911 1.748 7.823 1.00 . A A . 25 TRP HH2 1 1 8 3902 1 1 25 TRP HZ2 H 13.732 0.690 7.410 1.00 . A A . 25 TRP HZ2 1 1 8 3903 1 1 25 TRP HZ3 H 17.384 2.365 5.976 1.00 . A A . 25 TRP HZ3 1 1 8 3904 1 1 25 TRP N N 15.119 2.941 0.374 1.00 . A A . 25 TRP N 1 1 8 3905 1 1 25 TRP NE1 N 12.871 0.159 4.746 1.00 . A A . 25 TRP NE1 1 1 8 3906 1 1 25 TRP O O 13.547 3.216 2.923 1.00 . A A . 25 TRP O 1 1 8 3907 1 1 26 CYS C C 10.966 3.288 3.663 1.00 . A A . 26 CYS C 1 1 8 3908 1 1 26 CYS CA C 10.926 3.776 2.217 1.00 . A A . 26 CYS CA 1 1 8 3909 1 1 26 CYS CB C 9.518 3.597 1.645 1.00 . A A . 26 CYS CB 1 1 8 3910 1 1 26 CYS H H 11.630 2.737 0.514 1.00 . A A . 26 CYS H 1 1 8 3911 1 1 26 CYS HA H 11.182 4.824 2.198 1.00 . A A . 26 CYS HA 1 1 8 3912 1 1 26 CYS HB2 H 9.357 2.554 1.426 1.00 . A A . 26 CYS HB2 1 1 8 3913 1 1 26 CYS HB3 H 8.795 3.920 2.380 1.00 . A A . 26 CYS HB3 1 1 8 3914 1 1 26 CYS N N 11.898 3.060 1.401 1.00 . A A . 26 CYS N 1 1 8 3915 1 1 26 CYS O O 10.920 2.086 3.924 1.00 . A A . 26 CYS O 1 1 8 3916 1 1 26 CYS SG S 9.212 4.537 0.115 1.00 . A A . 26 CYS SG 1 1 8 3917 1 1 27 ARG C C 9.692 3.679 6.571 1.00 . A A . 27 ARG C 1 1 8 3918 1 1 27 ARG CA C 11.097 3.895 6.016 1.00 . A A . 27 ARG CA 1 1 8 3919 1 1 27 ARG CB C 11.801 5.004 6.800 1.00 . A A . 27 ARG CB 1 1 8 3920 1 1 27 ARG CD C 13.770 6.565 6.856 1.00 . A A . 27 ARG CD 1 1 8 3921 1 1 27 ARG CG C 13.249 5.215 6.386 1.00 . A A . 27 ARG CG 1 1 8 3922 1 1 27 ARG CZ C 15.680 8.032 6.367 1.00 . A A . 27 ARG CZ 1 1 8 3923 1 1 27 ARG H H 11.083 5.170 4.328 1.00 . A A . 27 ARG H 1 1 8 3924 1 1 27 ARG HA H 11.658 2.978 6.122 1.00 . A A . 27 ARG HA 1 1 8 3925 1 1 27 ARG HB2 H 11.267 5.931 6.649 1.00 . A A . 27 ARG HB2 1 1 8 3926 1 1 27 ARG HB3 H 11.782 4.753 7.849 1.00 . A A . 27 ARG HB3 1 1 8 3927 1 1 27 ARG HD2 H 13.113 7.337 6.489 1.00 . A A . 27 ARG HD2 1 1 8 3928 1 1 27 ARG HD3 H 13.773 6.579 7.936 1.00 . A A . 27 ARG HD3 1 1 8 3929 1 1 27 ARG HE H 15.641 6.066 6.039 1.00 . A A . 27 ARG HE 1 1 8 3930 1 1 27 ARG HG2 H 13.855 4.436 6.824 1.00 . A A . 27 ARG HG2 1 1 8 3931 1 1 27 ARG HG3 H 13.317 5.167 5.310 1.00 . A A . 27 ARG HG3 1 1 8 3932 1 1 27 ARG HH11 H 14.074 8.964 7.160 1.00 . A A . 27 ARG HH11 1 1 8 3933 1 1 27 ARG HH12 H 15.426 9.988 6.811 1.00 . A A . 27 ARG HH12 1 1 8 3934 1 1 27 ARG HH21 H 17.430 7.403 5.575 1.00 . A A . 27 ARG HH21 1 1 8 3935 1 1 27 ARG HH22 H 17.336 9.098 5.909 1.00 . A A . 27 ARG HH22 1 1 8 3936 1 1 27 ARG N N 11.050 4.229 4.597 1.00 . A A . 27 ARG N 1 1 8 3937 1 1 27 ARG NE N 15.123 6.827 6.374 1.00 . A A . 27 ARG NE 1 1 8 3938 1 1 27 ARG NH1 N 15.004 9.082 6.816 1.00 . A A . 27 ARG NH1 1 1 8 3939 1 1 27 ARG NH2 N 16.917 8.192 5.913 1.00 . A A . 27 ARG NH2 1 1 8 3940 1 1 27 ARG O O 9.083 4.597 7.122 1.00 . A A . 27 ARG O 1 1 8 3941 1 1 28 LYS C C 7.894 0.888 7.797 1.00 . A A . 28 LYS C 1 1 8 3942 1 1 28 LYS CA C 7.849 2.123 6.904 1.00 . A A . 28 LYS CA 1 1 8 3943 1 1 28 LYS CB C 6.900 1.883 5.727 1.00 . A A . 28 LYS CB 1 1 8 3944 1 1 28 LYS CD C 4.480 1.301 5.403 1.00 . A A . 28 LYS CD 1 1 8 3945 1 1 28 LYS CE C 4.788 1.042 3.935 1.00 . A A . 28 LYS CE 1 1 8 3946 1 1 28 LYS CG C 5.464 2.284 6.013 1.00 . A A . 28 LYS CG 1 1 8 3947 1 1 28 LYS H H 9.717 1.772 5.971 1.00 . A A . 28 LYS H 1 1 8 3948 1 1 28 LYS HA H 7.486 2.959 7.485 1.00 . A A . 28 LYS HA 1 1 8 3949 1 1 28 LYS HB2 H 7.250 2.455 4.879 1.00 . A A . 28 LYS HB2 1 1 8 3950 1 1 28 LYS HB3 H 6.918 0.833 5.477 1.00 . A A . 28 LYS HB3 1 1 8 3951 1 1 28 LYS HD2 H 4.537 0.366 5.941 1.00 . A A . 28 LYS HD2 1 1 8 3952 1 1 28 LYS HD3 H 3.480 1.705 5.487 1.00 . A A . 28 LYS HD3 1 1 8 3953 1 1 28 LYS HE2 H 5.754 0.567 3.862 1.00 . A A . 28 LYS HE2 1 1 8 3954 1 1 28 LYS HE3 H 4.032 0.383 3.533 1.00 . A A . 28 LYS HE3 1 1 8 3955 1 1 28 LYS HG2 H 5.313 2.309 7.082 1.00 . A A . 28 LYS HG2 1 1 8 3956 1 1 28 LYS HG3 H 5.283 3.265 5.598 1.00 . A A . 28 LYS HG3 1 1 8 3957 1 1 28 LYS HZ1 H 4.586 2.100 2.146 1.00 . A A . 28 LYS HZ1 1 1 8 3958 1 1 28 LYS HZ2 H 5.744 2.746 3.197 1.00 . A A . 28 LYS HZ2 1 1 8 3959 1 1 28 LYS HZ3 H 4.097 2.969 3.514 1.00 . A A . 28 LYS HZ3 1 1 8 3960 1 1 28 LYS N N 9.181 2.462 6.419 1.00 . A A . 28 LYS N 1 1 8 3961 1 1 28 LYS NZ N 4.805 2.303 3.143 1.00 . A A . 28 LYS NZ 1 1 8 3962 1 1 28 LYS O O 8.780 0.749 8.640 1.00 . A A . 28 LYS O 1 1 8 3963 1 1 29 ILE C C 8.171 -2.011 8.314 1.00 . A A . 29 ILE C 1 1 8 3964 1 1 29 ILE CA C 6.861 -1.235 8.391 1.00 . A A . 29 ILE CA 1 1 8 3965 1 1 29 ILE CB C 5.711 -2.143 7.917 1.00 . A A . 29 ILE CB 1 1 8 3966 1 1 29 ILE CD1 C 6.206 -1.854 5.438 1.00 . A A . 29 ILE CD1 1 1 8 3967 1 1 29 ILE CG1 C 6.077 -2.819 6.596 1.00 . A A . 29 ILE CG1 1 1 8 3968 1 1 29 ILE CG2 C 4.427 -1.337 7.769 1.00 . A A . 29 ILE CG2 1 1 8 3969 1 1 29 ILE H H 6.252 0.158 6.919 1.00 . A A . 29 ILE H 1 1 8 3970 1 1 29 ILE HA H 6.677 -0.960 9.420 1.00 . A A . 29 ILE HA 1 1 8 3971 1 1 29 ILE HB H 5.546 -2.900 8.670 1.00 . A A . 29 ILE HB 1 1 8 3972 1 1 29 ILE HD11 H 5.293 -1.287 5.338 1.00 . A A . 29 ILE HD11 1 1 8 3973 1 1 29 ILE HD12 H 7.031 -1.184 5.619 1.00 . A A . 29 ILE HD12 1 1 8 3974 1 1 29 ILE HD13 H 6.385 -2.408 4.528 1.00 . A A . 29 ILE HD13 1 1 8 3975 1 1 29 ILE HG12 H 7.021 -3.329 6.709 1.00 . A A . 29 ILE HG12 1 1 8 3976 1 1 29 ILE HG13 H 5.311 -3.540 6.344 1.00 . A A . 29 ILE HG13 1 1 8 3977 1 1 29 ILE HG21 H 3.712 -1.663 8.509 1.00 . A A . 29 ILE HG21 1 1 8 3978 1 1 29 ILE HG22 H 4.642 -0.289 7.914 1.00 . A A . 29 ILE HG22 1 1 8 3979 1 1 29 ILE HG23 H 4.020 -1.489 6.781 1.00 . A A . 29 ILE HG23 1 1 8 3980 1 1 29 ILE N N 6.931 -0.008 7.605 1.00 . A A . 29 ILE N 1 1 8 3981 1 1 29 ILE O O 8.475 -2.822 9.189 1.00 . A A . 29 ILE O 1 1 8 3982 1 1 30 ILE C C 10.023 -3.910 6.754 1.00 . A A . 30 ILE C 1 1 8 3983 1 1 30 ILE CA C 10.221 -2.431 7.073 1.00 . A A . 30 ILE CA 1 1 8 3984 1 1 30 ILE CB C 11.115 -2.302 8.321 1.00 . A A . 30 ILE CB 1 1 8 3985 1 1 30 ILE CD1 C 11.296 0.147 7.650 1.00 . A A . 30 ILE CD1 1 1 8 3986 1 1 30 ILE CG1 C 11.173 -0.846 8.786 1.00 . A A . 30 ILE CG1 1 1 8 3987 1 1 30 ILE CG2 C 12.513 -2.826 8.026 1.00 . A A . 30 ILE CG2 1 1 8 3988 1 1 30 ILE H H 8.646 -1.100 6.599 1.00 . A A . 30 ILE H 1 1 8 3989 1 1 30 ILE HA H 10.726 -1.959 6.243 1.00 . A A . 30 ILE HA 1 1 8 3990 1 1 30 ILE HB H 10.690 -2.906 9.106 1.00 . A A . 30 ILE HB 1 1 8 3991 1 1 30 ILE HD11 H 10.368 0.180 7.097 1.00 . A A . 30 ILE HD11 1 1 8 3992 1 1 30 ILE HD12 H 11.512 1.126 8.050 1.00 . A A . 30 ILE HD12 1 1 8 3993 1 1 30 ILE HD13 H 12.096 -0.158 6.991 1.00 . A A . 30 ILE HD13 1 1 8 3994 1 1 30 ILE HG12 H 10.274 -0.612 9.332 1.00 . A A . 30 ILE HG12 1 1 8 3995 1 1 30 ILE HG13 H 12.027 -0.716 9.434 1.00 . A A . 30 ILE HG13 1 1 8 3996 1 1 30 ILE HG21 H 12.495 -3.410 7.118 1.00 . A A . 30 ILE HG21 1 1 8 3997 1 1 30 ILE HG22 H 13.191 -1.993 7.906 1.00 . A A . 30 ILE HG22 1 1 8 3998 1 1 30 ILE HG23 H 12.846 -3.444 8.844 1.00 . A A . 30 ILE HG23 1 1 8 3999 1 1 30 ILE N N 8.943 -1.757 7.262 1.00 . A A . 30 ILE N 1 1 8 4000 1 1 30 ILE O O 9.112 -4.550 7.278 1.00 . A A . 30 ILE O 1 1 9 4001 1 1 1 ARG C C 0.062 -5.465 0.714 1.00 . A A . 1 ARG C 1 1 9 4002 1 1 1 ARG CA C 0.420 -6.924 0.511 1.00 . A A . 1 ARG CA 1 1 9 4003 1 1 1 ARG H1 H 0.622 -8.630 1.748 1.00 . A A . 1 ARG H1 1 1 9 4004 1 1 1 ARG HA H 1.426 -6.987 0.126 1.00 . A A . 1 ARG HA 1 1 9 4005 1 1 1 ARG N N 0.338 -7.693 1.739 1.00 . A A . 1 ARG N 1 1 9 4006 1 1 1 ARG O O -0.335 -4.780 -0.229 1.00 . A A . 1 ARG O 1 1 9 4007 1 1 2 TYR C C 0.853 -2.649 1.577 1.00 . A A . 2 TYR C 1 1 9 4008 1 1 2 TYR CA C -0.112 -3.603 2.271 1.00 . A A . 2 TYR CA 1 1 9 4009 1 1 2 TYR CB C -0.060 -3.389 3.786 1.00 . A A . 2 TYR CB 1 1 9 4010 1 1 2 TYR CD1 C -1.666 -5.209 4.480 1.00 . A A . 2 TYR CD1 1 1 9 4011 1 1 2 TYR CD2 C -2.099 -2.985 5.219 1.00 . A A . 2 TYR CD2 1 1 9 4012 1 1 2 TYR CE1 C -2.795 -5.654 5.137 1.00 . A A . 2 TYR CE1 1 1 9 4013 1 1 2 TYR CE2 C -3.231 -3.421 5.882 1.00 . A A . 2 TYR CE2 1 1 9 4014 1 1 2 TYR CG C -1.298 -3.871 4.508 1.00 . A A . 2 TYR CG 1 1 9 4015 1 1 2 TYR CZ C -3.574 -4.756 5.838 1.00 . A A . 2 TYR CZ 1 1 9 4016 1 1 2 TYR H H 0.523 -5.585 2.655 1.00 . A A . 2 TYR H 1 1 9 4017 1 1 2 TYR HA H -1.114 -3.402 1.923 1.00 . A A . 2 TYR HA 1 1 9 4018 1 1 2 TYR HB2 H 0.787 -3.921 4.188 1.00 . A A . 2 TYR HB2 1 1 9 4019 1 1 2 TYR HB3 H 0.055 -2.334 3.988 1.00 . A A . 2 TYR HB3 1 1 9 4020 1 1 2 TYR HD1 H -1.055 -5.911 3.931 1.00 . A A . 2 TYR HD1 1 1 9 4021 1 1 2 TYR HD2 H -1.826 -1.941 5.250 1.00 . A A . 2 TYR HD2 1 1 9 4022 1 1 2 TYR HE1 H -3.066 -6.699 5.104 1.00 . A A . 2 TYR HE1 1 1 9 4023 1 1 2 TYR HE2 H -3.840 -2.718 6.430 1.00 . A A . 2 TYR HE2 1 1 9 4024 1 1 2 TYR HH H -5.341 -5.512 5.856 1.00 . A A . 2 TYR HH 1 1 9 4025 1 1 2 TYR N N 0.202 -4.991 1.946 1.00 . A A . 2 TYR N 1 1 9 4026 1 1 2 TYR O O 1.902 -3.059 1.080 1.00 . A A . 2 TYR O 1 1 9 4027 1 1 2 TYR OH O -4.702 -5.193 6.496 1.00 . A A . 2 TYR OH 1 1 9 4028 1 1 3 CYS C C 1.660 -0.741 -0.522 1.00 . A A . 3 CYS C 1 1 9 4029 1 1 3 CYS CA C 1.324 -0.354 0.914 1.00 . A A . 3 CYS CA 1 1 9 4030 1 1 3 CYS CB C 2.612 -0.152 1.713 1.00 . A A . 3 CYS CB 1 1 9 4031 1 1 3 CYS H H -0.358 -1.103 1.962 1.00 . A A . 3 CYS H 1 1 9 4032 1 1 3 CYS HA H 0.767 0.571 0.905 1.00 . A A . 3 CYS HA 1 1 9 4033 1 1 3 CYS HB2 H 2.883 -1.083 2.190 1.00 . A A . 3 CYS HB2 1 1 9 4034 1 1 3 CYS HB3 H 3.402 0.146 1.039 1.00 . A A . 3 CYS HB3 1 1 9 4035 1 1 3 CYS N N 0.493 -1.371 1.548 1.00 . A A . 3 CYS N 1 1 9 4036 1 1 3 CYS O O 1.116 -1.709 -1.056 1.00 . A A . 3 CYS O 1 1 9 4037 1 1 3 CYS SG S 2.489 1.119 3.015 1.00 . A A . 3 CYS SG 1 1 9 4038 1 1 4 GLN C C 4.474 -0.409 -2.613 1.00 . A A . 4 GLN C 1 1 9 4039 1 1 4 GLN CA C 2.963 -0.247 -2.516 1.00 . A A . 4 GLN CA 1 1 9 4040 1 1 4 GLN CB C 2.499 0.886 -3.433 1.00 . A A . 4 GLN CB 1 1 9 4041 1 1 4 GLN CD C 0.013 0.760 -3.009 1.00 . A A . 4 GLN CD 1 1 9 4042 1 1 4 GLN CG C 1.263 1.614 -2.928 1.00 . A A . 4 GLN CG 1 1 9 4043 1 1 4 GLN H H 2.954 0.775 -0.662 1.00 . A A . 4 GLN H 1 1 9 4044 1 1 4 GLN HA H 2.493 -1.166 -2.827 1.00 . A A . 4 GLN HA 1 1 9 4045 1 1 4 GLN HB2 H 3.299 1.605 -3.530 1.00 . A A . 4 GLN HB2 1 1 9 4046 1 1 4 GLN HB3 H 2.275 0.475 -4.408 1.00 . A A . 4 GLN HB3 1 1 9 4047 1 1 4 GLN HE21 H -1.007 2.113 -1.969 1.00 . A A . 4 GLN HE21 1 1 9 4048 1 1 4 GLN HE22 H -1.895 0.715 -2.454 1.00 . A A . 4 GLN HE22 1 1 9 4049 1 1 4 GLN HG2 H 1.422 1.892 -1.898 1.00 . A A . 4 GLN HG2 1 1 9 4050 1 1 4 GLN HG3 H 1.117 2.501 -3.523 1.00 . A A . 4 GLN HG3 1 1 9 4051 1 1 4 GLN N N 2.555 0.019 -1.139 1.00 . A A . 4 GLN N 1 1 9 4052 1 1 4 GLN NE2 N -1.073 1.244 -2.417 1.00 . A A . 4 GLN NE2 1 1 9 4053 1 1 4 GLN O O 5.198 0.549 -2.892 1.00 . A A . 4 GLN O 1 1 9 4054 1 1 4 GLN OE1 O 0.021 -0.321 -3.598 1.00 . A A . 4 GLN OE1 1 1 9 4055 1 1 5 LYS C C 7.199 -0.727 -1.965 1.00 . A A . 5 LYS C 1 1 9 4056 1 1 5 LYS CA C 6.379 -1.919 -2.446 1.00 . A A . 5 LYS CA 1 1 9 4057 1 1 5 LYS CB C 6.783 -2.285 -3.877 1.00 . A A . 5 LYS CB 1 1 9 4058 1 1 5 LYS CD C 6.657 -3.986 -5.721 1.00 . A A . 5 LYS CD 1 1 9 4059 1 1 5 LYS CE C 6.392 -5.442 -6.072 1.00 . A A . 5 LYS CE 1 1 9 4060 1 1 5 LYS CG C 6.529 -3.742 -4.227 1.00 . A A . 5 LYS CG 1 1 9 4061 1 1 5 LYS H H 4.324 -2.352 -2.167 1.00 . A A . 5 LYS H 1 1 9 4062 1 1 5 LYS HA H 6.574 -2.761 -1.800 1.00 . A A . 5 LYS HA 1 1 9 4063 1 1 5 LYS HB2 H 6.223 -1.669 -4.564 1.00 . A A . 5 LYS HB2 1 1 9 4064 1 1 5 LYS HB3 H 7.836 -2.085 -4.002 1.00 . A A . 5 LYS HB3 1 1 9 4065 1 1 5 LYS HD2 H 5.941 -3.367 -6.242 1.00 . A A . 5 LYS HD2 1 1 9 4066 1 1 5 LYS HD3 H 7.657 -3.724 -6.034 1.00 . A A . 5 LYS HD3 1 1 9 4067 1 1 5 LYS HE2 H 6.726 -5.622 -7.083 1.00 . A A . 5 LYS HE2 1 1 9 4068 1 1 5 LYS HE3 H 6.949 -6.069 -5.391 1.00 . A A . 5 LYS HE3 1 1 9 4069 1 1 5 LYS HG2 H 7.249 -4.357 -3.709 1.00 . A A . 5 LYS HG2 1 1 9 4070 1 1 5 LYS HG3 H 5.531 -4.009 -3.911 1.00 . A A . 5 LYS HG3 1 1 9 4071 1 1 5 LYS HZ1 H 4.766 -6.710 -6.410 1.00 . A A . 5 LYS HZ1 1 1 9 4072 1 1 5 LYS HZ2 H 4.374 -5.065 -6.460 1.00 . A A . 5 LYS HZ2 1 1 9 4073 1 1 5 LYS HZ3 H 4.656 -5.821 -4.974 1.00 . A A . 5 LYS HZ3 1 1 9 4074 1 1 5 LYS N N 4.951 -1.628 -2.382 1.00 . A A . 5 LYS N 1 1 9 4075 1 1 5 LYS NZ N 4.946 -5.784 -5.972 1.00 . A A . 5 LYS NZ 1 1 9 4076 1 1 5 LYS O O 8.147 -0.305 -2.627 1.00 . A A . 5 LYS O 1 1 9 4077 1 1 6 TRP C C 9.033 0.829 -0.447 1.00 . A A . 6 TRP C 1 1 9 4078 1 1 6 TRP CA C 7.530 0.955 -0.238 1.00 . A A . 6 TRP CA 1 1 9 4079 1 1 6 TRP CB C 7.217 1.080 1.254 1.00 . A A . 6 TRP CB 1 1 9 4080 1 1 6 TRP CD1 C 8.920 0.570 3.102 1.00 . A A . 6 TRP CD1 1 1 9 4081 1 1 6 TRP CD2 C 8.122 -1.245 2.058 1.00 . A A . 6 TRP CD2 1 1 9 4082 1 1 6 TRP CE2 C 9.041 -1.660 3.041 1.00 . A A . 6 TRP CE2 1 1 9 4083 1 1 6 TRP CE3 C 7.491 -2.216 1.273 1.00 . A A . 6 TRP CE3 1 1 9 4084 1 1 6 TRP CG C 8.059 0.184 2.113 1.00 . A A . 6 TRP CG 1 1 9 4085 1 1 6 TRP CH2 C 8.708 -3.930 2.478 1.00 . A A . 6 TRP CH2 1 1 9 4086 1 1 6 TRP CZ2 C 9.342 -3.002 3.260 1.00 . A A . 6 TRP CZ2 1 1 9 4087 1 1 6 TRP CZ3 C 7.791 -3.545 1.492 1.00 . A A . 6 TRP CZ3 1 1 9 4088 1 1 6 TRP H H 6.060 -0.568 -0.328 1.00 . A A . 6 TRP H 1 1 9 4089 1 1 6 TRP HA H 7.180 1.843 -0.744 1.00 . A A . 6 TRP HA 1 1 9 4090 1 1 6 TRP HB2 H 7.386 2.099 1.569 1.00 . A A . 6 TRP HB2 1 1 9 4091 1 1 6 TRP HB3 H 6.180 0.823 1.420 1.00 . A A . 6 TRP HB3 1 1 9 4092 1 1 6 TRP HD1 H 9.099 1.595 3.385 1.00 . A A . 6 TRP HD1 1 1 9 4093 1 1 6 TRP HE1 H 10.169 -0.518 4.393 1.00 . A A . 6 TRP HE1 1 1 9 4094 1 1 6 TRP HE3 H 6.780 -1.939 0.509 1.00 . A A . 6 TRP HE3 1 1 9 4095 1 1 6 TRP HH2 H 8.913 -4.980 2.614 1.00 . A A . 6 TRP HH2 1 1 9 4096 1 1 6 TRP HZ2 H 10.047 -3.313 4.017 1.00 . A A . 6 TRP HZ2 1 1 9 4097 1 1 6 TRP HZ3 H 7.311 -4.310 0.897 1.00 . A A . 6 TRP HZ3 1 1 9 4098 1 1 6 TRP N N 6.825 -0.187 -0.809 1.00 . A A . 6 TRP N 1 1 9 4099 1 1 6 TRP NE1 N 9.514 -0.535 3.663 1.00 . A A . 6 TRP NE1 1 1 9 4100 1 1 6 TRP O O 9.770 1.811 -0.593 1.00 . A A . 6 TRP O 1 1 9 4101 1 1 7 NLE C C 11.725 0.086 -1.618 1.00 . A A . 7 NLE C 1 1 9 4102 1 1 7 NLE CA C 10.989 -0.716 -0.489 1.00 . A A . 7 NLE CA 1 1 9 4103 1 1 7 NLE CB C 11.141 -2.260 -0.592 1.00 . A A . 7 NLE CB 1 1 9 4104 1 1 7 NLE CD C 12.702 -4.040 0.421 1.00 . A A . 7 NLE CD 1 1 9 4105 1 1 7 NLE CE C 13.331 -5.128 -0.344 1.00 . A A . 7 NLE CE 1 1 9 4106 1 1 7 NLE CG C 12.596 -2.771 -0.438 1.00 . A A . 7 NLE CG 1 1 9 4107 1 1 7 NLE H H 8.819 -1.148 -0.333 1.00 . A A . 7 NLE H 1 1 9 4108 1 1 7 NLE HA H 11.436 -0.438 0.489 1.00 . A A . 7 NLE HA 1 1 9 4109 1 1 7 NLE HB2 H 10.522 -2.743 0.191 1.00 . A A . 7 NLE HB2 1 1 9 4110 1 1 7 NLE HB3 H 10.727 -2.620 -1.554 1.00 . A A . 7 NLE HB3 1 1 9 4111 1 1 7 NLE HD2 H 13.295 -3.851 1.338 1.00 . A A . 7 NLE HD2 1 1 9 4112 1 1 7 NLE HD3 H 11.702 -4.367 0.770 1.00 . A A . 7 NLE HD3 1 1 9 4113 1 1 7 NLE HE1 H 14.284 -4.866 -0.623 1.00 . A A . 7 NLE HE1 1 1 9 4114 1 1 7 NLE HE2 H 13.381 -5.974 0.238 1.00 . A A . 7 NLE HE2 1 1 9 4115 1 1 7 NLE HE3 H 12.779 -5.344 -1.185 1.00 . A A . 7 NLE HE3 1 1 9 4116 1 1 7 NLE HG2 H 13.035 -2.976 -1.437 1.00 . A A . 7 NLE HG2 1 1 9 4117 1 1 7 NLE HG3 H 13.246 -1.988 0.005 1.00 . A A . 7 NLE HG3 1 1 9 4118 1 1 7 NLE N N 9.529 -0.421 -0.465 1.00 . A A . 7 NLE N 1 1 9 4119 1 1 7 NLE O O 12.955 0.160 -1.610 1.00 . A A . 7 NLE O 1 1 9 4120 1 1 8 TRP C C 12.548 2.475 -3.081 1.00 . A A . 8 TRP C 1 1 9 4121 1 1 8 TRP CA C 11.557 1.454 -3.623 1.00 . A A . 8 TRP CA 1 1 9 4122 1 1 8 TRP CB C 10.460 2.159 -4.420 1.00 . A A . 8 TRP CB 1 1 9 4123 1 1 8 TRP CD1 C 9.587 -0.075 -5.318 1.00 . A A . 8 TRP CD1 1 1 9 4124 1 1 8 TRP CD2 C 8.029 1.525 -5.159 1.00 . A A . 8 TRP CD2 1 1 9 4125 1 1 8 TRP CE2 C 7.423 0.357 -5.663 1.00 . A A . 8 TRP CE2 1 1 9 4126 1 1 8 TRP CE3 C 7.241 2.665 -4.976 1.00 . A A . 8 TRP CE3 1 1 9 4127 1 1 8 TRP CG C 9.412 1.227 -4.946 1.00 . A A . 8 TRP CG 1 1 9 4128 1 1 8 TRP CH2 C 5.323 1.429 -5.791 1.00 . A A . 8 TRP CH2 1 1 9 4129 1 1 8 TRP CZ2 C 6.069 0.298 -5.982 1.00 . A A . 8 TRP CZ2 1 1 9 4130 1 1 8 TRP CZ3 C 5.898 2.606 -5.293 1.00 . A A . 8 TRP CZ3 1 1 9 4131 1 1 8 TRP H H 9.997 0.573 -2.493 1.00 . A A . 8 TRP H 1 1 9 4132 1 1 8 TRP HA H 12.082 0.772 -4.277 1.00 . A A . 8 TRP HA 1 1 9 4133 1 1 8 TRP HB2 H 9.972 2.885 -3.784 1.00 . A A . 8 TRP HB2 1 1 9 4134 1 1 8 TRP HB3 H 10.907 2.668 -5.262 1.00 . A A . 8 TRP HB3 1 1 9 4135 1 1 8 TRP HD1 H 10.528 -0.599 -5.274 1.00 . A A . 8 TRP HD1 1 1 9 4136 1 1 8 TRP HE1 H 8.262 -1.522 -6.068 1.00 . A A . 8 TRP HE1 1 1 9 4137 1 1 8 TRP HE3 H 7.666 3.581 -4.592 1.00 . A A . 8 TRP HE3 1 1 9 4138 1 1 8 TRP HH2 H 4.270 1.428 -6.026 1.00 . A A . 8 TRP HH2 1 1 9 4139 1 1 8 TRP HZ2 H 5.610 -0.602 -6.365 1.00 . A A . 8 TRP HZ2 1 1 9 4140 1 1 8 TRP HZ3 H 5.273 3.477 -5.158 1.00 . A A . 8 TRP HZ3 1 1 9 4141 1 1 8 TRP N N 10.971 0.669 -2.541 1.00 . A A . 8 TRP N 1 1 9 4142 1 1 8 TRP NE1 N 8.395 -0.605 -5.751 1.00 . A A . 8 TRP NE1 1 1 9 4143 1 1 8 TRP O O 12.635 2.691 -1.871 1.00 . A A . 8 TRP O 1 1 9 4144 1 1 9 THR C C 13.644 5.486 -3.469 1.00 . A A . 9 THR C 1 1 9 4145 1 1 9 THR CA C 14.282 4.105 -3.593 1.00 . A A . 9 THR CA 1 1 9 4146 1 1 9 THR CB C 15.441 4.176 -4.605 1.00 . A A . 9 THR CB 1 1 9 4147 1 1 9 THR CG2 C 14.911 4.236 -6.031 1.00 . A A . 9 THR CG2 1 1 9 4148 1 1 9 THR H H 13.180 2.891 -4.931 1.00 . A A . 9 THR H 1 1 9 4149 1 1 9 THR HA H 14.686 3.819 -2.633 1.00 . A A . 9 THR HA 1 1 9 4150 1 1 9 THR HB H 16.045 3.288 -4.499 1.00 . A A . 9 THR HB 1 1 9 4151 1 1 9 THR HG1 H 16.964 5.370 -4.985 1.00 . A A . 9 THR HG1 1 1 9 4152 1 1 9 THR HG21 H 15.048 3.277 -6.507 1.00 . A A . 9 THR HG21 1 1 9 4153 1 1 9 THR HG22 H 15.447 4.994 -6.583 1.00 . A A . 9 THR HG22 1 1 9 4154 1 1 9 THR HG23 H 13.859 4.482 -6.012 1.00 . A A . 9 THR HG23 1 1 9 4155 1 1 9 THR N N 13.295 3.107 -3.981 1.00 . A A . 9 THR N 1 1 9 4156 1 1 9 THR O O 13.861 6.358 -4.309 1.00 . A A . 9 THR O 1 1 9 4157 1 1 9 THR OG1 O 16.251 5.328 -4.343 1.00 . A A . 9 THR OG1 1 1 9 4158 1 1 10 CYS C C 13.113 8.119 -2.522 1.00 . A A . 10 CYS C 1 1 9 4159 1 1 10 CYS CA C 12.193 6.952 -2.179 1.00 . A A . 10 CYS CA 1 1 9 4160 1 1 10 CYS CB C 11.744 7.054 -0.720 1.00 . A A . 10 CYS CB 1 1 9 4161 1 1 10 CYS H H 12.726 4.943 -1.777 1.00 . A A . 10 CYS H 1 1 9 4162 1 1 10 CYS HA H 11.324 6.994 -2.818 1.00 . A A . 10 CYS HA 1 1 9 4163 1 1 10 CYS HB2 H 11.204 7.979 -0.582 1.00 . A A . 10 CYS HB2 1 1 9 4164 1 1 10 CYS HB3 H 11.089 6.225 -0.493 1.00 . A A . 10 CYS HB3 1 1 9 4165 1 1 10 CYS N N 12.861 5.678 -2.414 1.00 . A A . 10 CYS N 1 1 9 4166 1 1 10 CYS O O 14.240 8.201 -2.033 1.00 . A A . 10 CYS O 1 1 9 4167 1 1 10 CYS SG S 13.111 7.027 0.483 1.00 . A A . 10 CYS SG 1 1 9 4168 1 1 11 ASP C C 12.625 11.034 -4.778 1.00 . A A . 11 ASP C 1 1 9 4169 1 1 11 ASP CA C 13.400 10.187 -3.773 1.00 . A A . 11 ASP CA 1 1 9 4170 1 1 11 ASP CB C 14.735 9.750 -4.379 1.00 . A A . 11 ASP CB 1 1 9 4171 1 1 11 ASP CG C 15.922 10.172 -3.533 1.00 . A A . 11 ASP CG 1 1 9 4172 1 1 11 ASP H H 11.719 8.904 -3.721 1.00 . A A . 11 ASP H 1 1 9 4173 1 1 11 ASP HA H 13.593 10.781 -2.893 1.00 . A A . 11 ASP HA 1 1 9 4174 1 1 11 ASP HB2 H 14.745 8.673 -4.471 1.00 . A A . 11 ASP HB2 1 1 9 4175 1 1 11 ASP HB3 H 14.839 10.191 -5.360 1.00 . A A . 11 ASP HB3 1 1 9 4176 1 1 11 ASP N N 12.624 9.022 -3.366 1.00 . A A . 11 ASP N 1 1 9 4177 1 1 11 ASP O O 12.145 12.119 -4.450 1.00 . A A . 11 ASP O 1 1 9 4178 1 1 11 ASP OD1 O 17.014 10.380 -4.104 1.00 . A A . 11 ASP OD1 1 1 9 4179 1 1 11 ASP OD2 O 15.758 10.292 -2.302 1.00 . A A . 11 ASP OD2 1 1 9 4180 1 1 12 SER C C 10.384 10.683 -7.231 1.00 . A A . 12 SER C 1 1 9 4181 1 1 12 SER CA C 11.793 11.240 -7.056 1.00 . A A . 12 SER CA 1 1 9 4182 1 1 12 SER CB C 12.560 11.143 -8.376 1.00 . A A . 12 SER CB 1 1 9 4183 1 1 12 SER H H 12.911 9.660 -6.201 1.00 . A A . 12 SER H 1 1 9 4184 1 1 12 SER HA H 11.722 12.279 -6.767 1.00 . A A . 12 SER HA 1 1 9 4185 1 1 12 SER HB2 H 12.009 10.519 -9.063 1.00 . A A . 12 SER HB2 1 1 9 4186 1 1 12 SER HB3 H 12.673 12.131 -8.798 1.00 . A A . 12 SER HB3 1 1 9 4187 1 1 12 SER HG H 14.000 9.895 -8.832 1.00 . A A . 12 SER HG 1 1 9 4188 1 1 12 SER N N 12.506 10.530 -6.002 1.00 . A A . 12 SER N 1 1 9 4189 1 1 12 SER O O 9.397 11.418 -7.151 1.00 . A A . 12 SER O 1 1 9 4190 1 1 12 SER OG O 13.846 10.581 -8.179 1.00 . A A . 12 SER OG 1 1 9 4191 1 1 13 LYS C C 8.056 9.057 -6.515 1.00 . A A . 13 LYS C 1 1 9 4192 1 1 13 LYS CA C 9.008 8.719 -7.655 1.00 . A A . 13 LYS CA 1 1 9 4193 1 1 13 LYS CB C 9.198 7.204 -7.743 1.00 . A A . 13 LYS CB 1 1 9 4194 1 1 13 LYS CD C 10.708 5.464 -8.748 1.00 . A A . 13 LYS CD 1 1 9 4195 1 1 13 LYS CE C 10.842 4.648 -10.024 1.00 . A A . 13 LYS CE 1 1 9 4196 1 1 13 LYS CG C 9.941 6.754 -8.989 1.00 . A A . 13 LYS CG 1 1 9 4197 1 1 13 LYS H H 11.118 8.847 -7.521 1.00 . A A . 13 LYS H 1 1 9 4198 1 1 13 LYS HA H 8.583 9.074 -8.582 1.00 . A A . 13 LYS HA 1 1 9 4199 1 1 13 LYS HB2 H 9.754 6.872 -6.878 1.00 . A A . 13 LYS HB2 1 1 9 4200 1 1 13 LYS HB3 H 8.227 6.731 -7.739 1.00 . A A . 13 LYS HB3 1 1 9 4201 1 1 13 LYS HD2 H 11.695 5.705 -8.382 1.00 . A A . 13 LYS HD2 1 1 9 4202 1 1 13 LYS HD3 H 10.181 4.877 -8.008 1.00 . A A . 13 LYS HD3 1 1 9 4203 1 1 13 LYS HE2 H 10.940 5.324 -10.859 1.00 . A A . 13 LYS HE2 1 1 9 4204 1 1 13 LYS HE3 H 11.727 4.034 -9.951 1.00 . A A . 13 LYS HE3 1 1 9 4205 1 1 13 LYS HG2 H 9.228 6.592 -9.783 1.00 . A A . 13 LYS HG2 1 1 9 4206 1 1 13 LYS HG3 H 10.638 7.526 -9.281 1.00 . A A . 13 LYS HG3 1 1 9 4207 1 1 13 LYS HZ1 H 9.612 3.040 -9.507 1.00 . A A . 13 LYS HZ1 1 1 9 4208 1 1 13 LYS HZ2 H 9.731 3.303 -11.174 1.00 . A A . 13 LYS HZ2 1 1 9 4209 1 1 13 LYS HZ3 H 8.786 4.332 -10.221 1.00 . A A . 13 LYS HZ3 1 1 9 4210 1 1 13 LYS N N 10.295 9.379 -7.469 1.00 . A A . 13 LYS N 1 1 9 4211 1 1 13 LYS NZ N 9.660 3.769 -10.246 1.00 . A A . 13 LYS NZ 1 1 9 4212 1 1 13 LYS O O 6.927 9.495 -6.745 1.00 . A A . 13 LYS O 1 1 9 4213 1 1 14 ARG C C 6.337 8.466 -4.214 1.00 . A A . 14 ARG C 1 1 9 4214 1 1 14 ARG CA C 7.703 9.140 -4.107 1.00 . A A . 14 ARG CA 1 1 9 4215 1 1 14 ARG CB C 7.526 10.649 -3.936 1.00 . A A . 14 ARG CB 1 1 9 4216 1 1 14 ARG CD C 7.967 12.676 -2.515 1.00 . A A . 14 ARG CD 1 1 9 4217 1 1 14 ARG CG C 7.924 11.157 -2.559 1.00 . A A . 14 ARG CG 1 1 9 4218 1 1 14 ARG CZ C 9.412 14.457 -1.629 1.00 . A A . 14 ARG CZ 1 1 9 4219 1 1 14 ARG H H 9.424 8.505 -5.164 1.00 . A A . 14 ARG H 1 1 9 4220 1 1 14 ARG HA H 8.218 8.746 -3.244 1.00 . A A . 14 ARG HA 1 1 9 4221 1 1 14 ARG HB2 H 8.134 11.157 -4.670 1.00 . A A . 14 ARG HB2 1 1 9 4222 1 1 14 ARG HB3 H 6.490 10.901 -4.104 1.00 . A A . 14 ARG HB3 1 1 9 4223 1 1 14 ARG HD2 H 8.043 13.049 -3.527 1.00 . A A . 14 ARG HD2 1 1 9 4224 1 1 14 ARG HD3 H 7.053 13.036 -2.067 1.00 . A A . 14 ARG HD3 1 1 9 4225 1 1 14 ARG HE H 9.662 12.508 -1.284 1.00 . A A . 14 ARG HE 1 1 9 4226 1 1 14 ARG HG2 H 7.201 10.807 -1.835 1.00 . A A . 14 ARG HG2 1 1 9 4227 1 1 14 ARG HG3 H 8.900 10.768 -2.311 1.00 . A A . 14 ARG HG3 1 1 9 4228 1 1 14 ARG HH11 H 7.882 15.099 -2.782 1.00 . A A . 14 ARG HH11 1 1 9 4229 1 1 14 ARG HH12 H 8.908 16.343 -2.150 1.00 . A A . 14 ARG HH12 1 1 9 4230 1 1 14 ARG HH21 H 11.019 14.136 -0.445 1.00 . A A . 14 ARG HH21 1 1 9 4231 1 1 14 ARG HH22 H 10.694 15.795 -0.821 1.00 . A A . 14 ARG HH22 1 1 9 4232 1 1 14 ARG N N 8.516 8.855 -5.283 1.00 . A A . 14 ARG N 1 1 9 4233 1 1 14 ARG NE N 9.103 13.169 -1.742 1.00 . A A . 14 ARG NE 1 1 9 4234 1 1 14 ARG NH1 N 8.675 15.374 -2.238 1.00 . A A . 14 ARG NH1 1 1 9 4235 1 1 14 ARG NH2 N 10.462 14.826 -0.907 1.00 . A A . 14 ARG NH2 1 1 9 4236 1 1 14 ARG O O 5.330 9.007 -3.759 1.00 . A A . 14 ARG O 1 1 9 4237 1 1 15 ALA C C 4.811 5.634 -3.784 1.00 . A A . 15 ALA C 1 1 9 4238 1 1 15 ALA CA C 5.073 6.536 -4.985 1.00 . A A . 15 ALA CA 1 1 9 4239 1 1 15 ALA CB C 5.118 5.715 -6.265 1.00 . A A . 15 ALA CB 1 1 9 4240 1 1 15 ALA H H 7.148 6.904 -5.162 1.00 . A A . 15 ALA H 1 1 9 4241 1 1 15 ALA HA H 4.263 7.248 -5.071 1.00 . A A . 15 ALA HA 1 1 9 4242 1 1 15 ALA HB1 H 4.209 5.135 -6.352 1.00 . A A . 15 ALA HB1 1 1 9 4243 1 1 15 ALA HB2 H 5.206 6.376 -7.113 1.00 . A A . 15 ALA HB2 1 1 9 4244 1 1 15 ALA HB3 H 5.968 5.049 -6.234 1.00 . A A . 15 ALA HB3 1 1 9 4245 1 1 15 ALA N N 6.313 7.283 -4.820 1.00 . A A . 15 ALA N 1 1 9 4246 1 1 15 ALA O O 3.931 4.773 -3.821 1.00 . A A . 15 ALA O 1 1 9 4247 1 1 16 CYS C C 4.180 5.447 -0.738 1.00 . A A . 16 CYS C 1 1 9 4248 1 1 16 CYS CA C 5.432 5.040 -1.507 1.00 . A A . 16 CYS CA 1 1 9 4249 1 1 16 CYS CB C 6.665 5.200 -0.616 1.00 . A A . 16 CYS CB 1 1 9 4250 1 1 16 CYS H H 6.266 6.537 -2.751 1.00 . A A . 16 CYS H 1 1 9 4251 1 1 16 CYS HA H 5.341 4.005 -1.798 1.00 . A A . 16 CYS HA 1 1 9 4252 1 1 16 CYS HB2 H 6.921 6.245 -0.550 1.00 . A A . 16 CYS HB2 1 1 9 4253 1 1 16 CYS HB3 H 6.436 4.826 0.373 1.00 . A A . 16 CYS HB3 1 1 9 4254 1 1 16 CYS N N 5.580 5.835 -2.720 1.00 . A A . 16 CYS N 1 1 9 4255 1 1 16 CYS O O 3.340 6.189 -1.247 1.00 . A A . 16 CYS O 1 1 9 4256 1 1 16 CYS SG S 8.137 4.308 -1.215 1.00 . A A . 16 CYS SG 1 1 9 4257 1 1 17 CYS C C 3.276 6.306 2.389 1.00 . A A . 17 CYS C 1 1 9 4258 1 1 17 CYS CA C 2.910 5.268 1.332 1.00 . A A . 17 CYS CA 1 1 9 4259 1 1 17 CYS CB C 2.388 4.000 2.007 1.00 . A A . 17 CYS CB 1 1 9 4260 1 1 17 CYS H H 4.764 4.369 0.842 1.00 . A A . 17 CYS H 1 1 9 4261 1 1 17 CYS HA H 2.137 5.675 0.698 1.00 . A A . 17 CYS HA 1 1 9 4262 1 1 17 CYS HB2 H 2.066 4.240 3.009 1.00 . A A . 17 CYS HB2 1 1 9 4263 1 1 17 CYS HB3 H 1.545 3.623 1.445 1.00 . A A . 17 CYS HB3 1 1 9 4264 1 1 17 CYS N N 4.061 4.956 0.491 1.00 . A A . 17 CYS N 1 1 9 4265 1 1 17 CYS O O 3.007 7.496 2.224 1.00 . A A . 17 CYS O 1 1 9 4266 1 1 17 CYS SG S 3.616 2.660 2.128 1.00 . A A . 17 CYS SG 1 1 9 4267 1 1 18 GLU C C 5.709 6.421 5.026 1.00 . A A . 18 GLU C 1 1 9 4268 1 1 18 GLU CA C 4.289 6.735 4.559 1.00 . A A . 18 GLU CA 1 1 9 4269 1 1 18 GLU CB C 3.316 6.614 5.735 1.00 . A A . 18 GLU CB 1 1 9 4270 1 1 18 GLU CD C 2.559 7.834 7.814 1.00 . A A . 18 GLU CD 1 1 9 4271 1 1 18 GLU CG C 2.933 7.950 6.347 1.00 . A A . 18 GLU CG 1 1 9 4272 1 1 18 GLU H H 4.074 4.888 3.550 1.00 . A A . 18 GLU H 1 1 9 4273 1 1 18 GLU HA H 4.262 7.747 4.186 1.00 . A A . 18 GLU HA 1 1 9 4274 1 1 18 GLU HB2 H 2.416 6.127 5.392 1.00 . A A . 18 GLU HB2 1 1 9 4275 1 1 18 GLU HB3 H 3.773 6.008 6.503 1.00 . A A . 18 GLU HB3 1 1 9 4276 1 1 18 GLU HG2 H 3.770 8.626 6.259 1.00 . A A . 18 GLU HG2 1 1 9 4277 1 1 18 GLU HG3 H 2.089 8.351 5.808 1.00 . A A . 18 GLU HG3 1 1 9 4278 1 1 18 GLU N N 3.889 5.846 3.476 1.00 . A A . 18 GLU N 1 1 9 4279 1 1 18 GLU O O 6.030 6.553 6.205 1.00 . A A . 18 GLU O 1 1 9 4280 1 1 18 GLU OE1 O 3.227 8.480 8.648 1.00 . A A . 18 GLU OE1 1 1 9 4281 1 1 18 GLU OE2 O 1.600 7.096 8.125 1.00 . A A . 18 GLU OE2 1 1 9 4282 1 1 19 GLY C C 8.916 6.252 3.429 1.00 . A A . 19 GLY C 1 1 9 4283 1 1 19 GLY CA C 7.926 5.675 4.420 1.00 . A A . 19 GLY CA 1 1 9 4284 1 1 19 GLY H H 6.241 5.916 3.163 1.00 . A A . 19 GLY H 1 1 9 4285 1 1 19 GLY HA2 H 8.150 6.063 5.403 1.00 . A A . 19 GLY HA2 1 1 9 4286 1 1 19 GLY HA3 H 8.035 4.601 4.436 1.00 . A A . 19 GLY HA3 1 1 9 4287 1 1 19 GLY N N 6.552 6.002 4.088 1.00 . A A . 19 GLY N 1 1 9 4288 1 1 19 GLY O O 10.106 5.929 3.467 1.00 . A A . 19 GLY O 1 1 9 4289 1 1 20 LEU C C 10.209 8.758 2.161 1.00 . A A . 20 LEU C 1 1 9 4290 1 1 20 LEU CA C 9.278 7.728 1.527 1.00 . A A . 20 LEU CA 1 1 9 4291 1 1 20 LEU CB C 8.421 8.393 0.449 1.00 . A A . 20 LEU CB 1 1 9 4292 1 1 20 LEU CD1 C 6.029 8.019 1.096 1.00 . A A . 20 LEU CD1 1 1 9 4293 1 1 20 LEU CD2 C 7.368 9.798 2.237 1.00 . A A . 20 LEU CD2 1 1 9 4294 1 1 20 LEU CG C 7.130 9.055 0.930 1.00 . A A . 20 LEU CG 1 1 9 4295 1 1 20 LEU H H 7.474 7.324 2.554 1.00 . A A . 20 LEU H 1 1 9 4296 1 1 20 LEU HA H 9.876 6.952 1.074 1.00 . A A . 20 LEU HA 1 1 9 4297 1 1 20 LEU HB2 H 9.022 9.150 -0.031 1.00 . A A . 20 LEU HB2 1 1 9 4298 1 1 20 LEU HB3 H 8.157 7.635 -0.274 1.00 . A A . 20 LEU HB3 1 1 9 4299 1 1 20 LEU HD11 H 5.342 8.088 0.267 1.00 . A A . 20 LEU HD11 1 1 9 4300 1 1 20 LEU HD12 H 5.500 8.202 2.019 1.00 . A A . 20 LEU HD12 1 1 9 4301 1 1 20 LEU HD13 H 6.466 7.032 1.125 1.00 . A A . 20 LEU HD13 1 1 9 4302 1 1 20 LEU HD21 H 7.329 9.099 3.061 1.00 . A A . 20 LEU HD21 1 1 9 4303 1 1 20 LEU HD22 H 6.604 10.551 2.366 1.00 . A A . 20 LEU HD22 1 1 9 4304 1 1 20 LEU HD23 H 8.340 10.271 2.210 1.00 . A A . 20 LEU HD23 1 1 9 4305 1 1 20 LEU HG H 6.804 9.771 0.191 1.00 . A A . 20 LEU HG 1 1 9 4306 1 1 20 LEU N N 8.428 7.105 2.536 1.00 . A A . 20 LEU N 1 1 9 4307 1 1 20 LEU O O 11.077 9.320 1.490 1.00 . A A . 20 LEU O 1 1 9 4308 1 1 21 ARG C C 12.226 9.380 4.477 1.00 . A A . 21 ARG C 1 1 9 4309 1 1 21 ARG CA C 10.848 9.961 4.176 1.00 . A A . 21 ARG CA 1 1 9 4310 1 1 21 ARG CB C 10.161 10.374 5.479 1.00 . A A . 21 ARG CB 1 1 9 4311 1 1 21 ARG CD C 10.250 9.592 7.867 1.00 . A A . 21 ARG CD 1 1 9 4312 1 1 21 ARG CG C 9.915 9.215 6.432 1.00 . A A . 21 ARG CG 1 1 9 4313 1 1 21 ARG CZ C 8.069 9.811 8.981 1.00 . A A . 21 ARG CZ 1 1 9 4314 1 1 21 ARG H H 9.316 8.520 3.933 1.00 . A A . 21 ARG H 1 1 9 4315 1 1 21 ARG HA H 10.967 10.833 3.552 1.00 . A A . 21 ARG HA 1 1 9 4316 1 1 21 ARG HB2 H 10.780 11.102 5.986 1.00 . A A . 21 ARG HB2 1 1 9 4317 1 1 21 ARG HB3 H 9.209 10.825 5.245 1.00 . A A . 21 ARG HB3 1 1 9 4318 1 1 21 ARG HD2 H 10.411 8.687 8.434 1.00 . A A . 21 ARG HD2 1 1 9 4319 1 1 21 ARG HD3 H 11.153 10.184 7.868 1.00 . A A . 21 ARG HD3 1 1 9 4320 1 1 21 ARG HE H 9.292 11.331 8.557 1.00 . A A . 21 ARG HE 1 1 9 4321 1 1 21 ARG HG2 H 8.874 8.932 6.381 1.00 . A A . 21 ARG HG2 1 1 9 4322 1 1 21 ARG HG3 H 10.532 8.379 6.135 1.00 . A A . 21 ARG HG3 1 1 9 4323 1 1 21 ARG HH11 H 8.588 7.921 8.493 1.00 . A A . 21 ARG HH11 1 1 9 4324 1 1 21 ARG HH12 H 7.053 8.090 9.278 1.00 . A A . 21 ARG HH12 1 1 9 4325 1 1 21 ARG HH21 H 7.273 11.565 9.593 1.00 . A A . 21 ARG HH21 1 1 9 4326 1 1 21 ARG HH22 H 6.306 10.164 9.904 1.00 . A A . 21 ARG HH22 1 1 9 4327 1 1 21 ARG N N 10.024 9.000 3.453 1.00 . A A . 21 ARG N 1 1 9 4328 1 1 21 ARG NE N 9.179 10.359 8.496 1.00 . A A . 21 ARG NE 1 1 9 4329 1 1 21 ARG NH1 N 7.888 8.500 8.912 1.00 . A A . 21 ARG NH1 1 1 9 4330 1 1 21 ARG NH2 N 7.141 10.578 9.539 1.00 . A A . 21 ARG NH2 1 1 9 4331 1 1 21 ARG O O 12.667 9.359 5.627 1.00 . A A . 21 ARG O 1 1 9 4332 1 1 22 CYS C C 15.108 8.653 2.381 1.00 . A A . 22 CYS C 1 1 9 4333 1 1 22 CYS CA C 14.230 8.324 3.586 1.00 . A A . 22 CYS CA 1 1 9 4334 1 1 22 CYS CB C 14.128 6.807 3.758 1.00 . A A . 22 CYS CB 1 1 9 4335 1 1 22 CYS H H 12.499 8.952 2.543 1.00 . A A . 22 CYS H 1 1 9 4336 1 1 22 CYS HA H 14.681 8.749 4.471 1.00 . A A . 22 CYS HA 1 1 9 4337 1 1 22 CYS HB2 H 15.084 6.425 4.083 1.00 . A A . 22 CYS HB2 1 1 9 4338 1 1 22 CYS HB3 H 13.385 6.588 4.509 1.00 . A A . 22 CYS HB3 1 1 9 4339 1 1 22 CYS N N 12.902 8.907 3.435 1.00 . A A . 22 CYS N 1 1 9 4340 1 1 22 CYS O O 14.852 9.614 1.656 1.00 . A A . 22 CYS O 1 1 9 4341 1 1 22 CYS SG S 13.662 5.916 2.239 1.00 . A A . 22 CYS SG 1 1 9 4342 1 1 23 LYS C C 16.719 7.118 -0.101 1.00 . A A . 23 LYS C 1 1 9 4343 1 1 23 LYS CA C 17.061 8.049 1.059 1.00 . A A . 23 LYS CA 1 1 9 4344 1 1 23 LYS CB C 18.504 7.815 1.507 1.00 . A A . 23 LYS CB 1 1 9 4345 1 1 23 LYS CD C 20.379 9.473 1.712 1.00 . A A . 23 LYS CD 1 1 9 4346 1 1 23 LYS CE C 19.698 10.778 2.101 1.00 . A A . 23 LYS CE 1 1 9 4347 1 1 23 LYS CG C 19.519 8.659 0.759 1.00 . A A . 23 LYS CG 1 1 9 4348 1 1 23 LYS H H 16.295 7.097 2.788 1.00 . A A . 23 LYS H 1 1 9 4349 1 1 23 LYS HA H 16.958 9.070 0.726 1.00 . A A . 23 LYS HA 1 1 9 4350 1 1 23 LYS HB2 H 18.584 8.043 2.561 1.00 . A A . 23 LYS HB2 1 1 9 4351 1 1 23 LYS HB3 H 18.751 6.773 1.356 1.00 . A A . 23 LYS HB3 1 1 9 4352 1 1 23 LYS HD2 H 20.558 8.894 2.606 1.00 . A A . 23 LYS HD2 1 1 9 4353 1 1 23 LYS HD3 H 21.321 9.697 1.231 1.00 . A A . 23 LYS HD3 1 1 9 4354 1 1 23 LYS HE2 H 20.212 11.593 1.618 1.00 . A A . 23 LYS HE2 1 1 9 4355 1 1 23 LYS HE3 H 18.674 10.748 1.761 1.00 . A A . 23 LYS HE3 1 1 9 4356 1 1 23 LYS HG2 H 20.159 8.009 0.181 1.00 . A A . 23 LYS HG2 1 1 9 4357 1 1 23 LYS HG3 H 18.994 9.332 0.098 1.00 . A A . 23 LYS HG3 1 1 9 4358 1 1 23 LYS HZ1 H 19.005 11.705 3.838 1.00 . A A . 23 LYS HZ1 1 1 9 4359 1 1 23 LYS HZ2 H 20.655 11.335 3.872 1.00 . A A . 23 LYS HZ2 1 1 9 4360 1 1 23 LYS HZ3 H 19.506 10.106 4.068 1.00 . A A . 23 LYS HZ3 1 1 9 4361 1 1 23 LYS N N 16.144 7.847 2.176 1.00 . A A . 23 LYS N 1 1 9 4362 1 1 23 LYS NZ N 19.718 10.995 3.573 1.00 . A A . 23 LYS NZ 1 1 9 4363 1 1 23 LYS O O 16.612 7.552 -1.248 1.00 . A A . 23 LYS O 1 1 9 4364 1 1 24 LEU C C 15.014 4.009 -0.384 1.00 . A A . 24 LEU C 1 1 9 4365 1 1 24 LEU CA C 16.221 4.843 -0.810 1.00 . A A . 24 LEU CA 1 1 9 4366 1 1 24 LEU CB C 17.420 3.933 -1.070 1.00 . A A . 24 LEU CB 1 1 9 4367 1 1 24 LEU CD1 C 18.786 5.803 -2.024 1.00 . A A . 24 LEU CD1 1 1 9 4368 1 1 24 LEU CD2 C 19.564 3.439 -2.271 1.00 . A A . 24 LEU CD2 1 1 9 4369 1 1 24 LEU CG C 18.353 4.357 -2.205 1.00 . A A . 24 LEU CG 1 1 9 4370 1 1 24 LEU H H 16.649 5.550 1.140 1.00 . A A . 24 LEU H 1 1 9 4371 1 1 24 LEU HA H 15.974 5.369 -1.719 1.00 . A A . 24 LEU HA 1 1 9 4372 1 1 24 LEU HB2 H 18.002 3.886 -0.162 1.00 . A A . 24 LEU HB2 1 1 9 4373 1 1 24 LEU HB3 H 17.042 2.946 -1.303 1.00 . A A . 24 LEU HB3 1 1 9 4374 1 1 24 LEU HD11 H 18.775 6.056 -0.975 1.00 . A A . 24 LEU HD11 1 1 9 4375 1 1 24 LEU HD12 H 18.106 6.451 -2.558 1.00 . A A . 24 LEU HD12 1 1 9 4376 1 1 24 LEU HD13 H 19.785 5.930 -2.415 1.00 . A A . 24 LEU HD13 1 1 9 4377 1 1 24 LEU HD21 H 19.672 3.060 -3.276 1.00 . A A . 24 LEU HD21 1 1 9 4378 1 1 24 LEU HD22 H 19.429 2.612 -1.587 1.00 . A A . 24 LEU HD22 1 1 9 4379 1 1 24 LEU HD23 H 20.450 3.992 -1.997 1.00 . A A . 24 LEU HD23 1 1 9 4380 1 1 24 LEU HG H 17.823 4.283 -3.143 1.00 . A A . 24 LEU HG 1 1 9 4381 1 1 24 LEU N N 16.549 5.837 0.208 1.00 . A A . 24 LEU N 1 1 9 4382 1 1 24 LEU O O 13.869 4.394 -0.614 1.00 . A A . 24 LEU O 1 1 9 4383 1 1 25 TRP C C 13.338 2.675 1.728 1.00 . A A . 25 TRP C 1 1 9 4384 1 1 25 TRP CA C 14.223 1.978 0.699 1.00 . A A . 25 TRP CA 1 1 9 4385 1 1 25 TRP CB C 14.821 0.705 1.299 1.00 . A A . 25 TRP CB 1 1 9 4386 1 1 25 TRP CD1 C 13.084 -0.132 2.990 1.00 . A A . 25 TRP CD1 1 1 9 4387 1 1 25 TRP CD2 C 14.988 0.601 3.913 1.00 . A A . 25 TRP CD2 1 1 9 4388 1 1 25 TRP CE2 C 14.126 0.174 4.940 1.00 . A A . 25 TRP CE2 1 1 9 4389 1 1 25 TRP CE3 C 16.248 1.103 4.254 1.00 . A A . 25 TRP CE3 1 1 9 4390 1 1 25 TRP CG C 14.302 0.397 2.672 1.00 . A A . 25 TRP CG 1 1 9 4391 1 1 25 TRP CH2 C 15.722 0.728 6.591 1.00 . A A . 25 TRP CH2 1 1 9 4392 1 1 25 TRP CZ2 C 14.484 0.233 6.285 1.00 . A A . 25 TRP CZ2 1 1 9 4393 1 1 25 TRP CZ3 C 16.600 1.163 5.589 1.00 . A A . 25 TRP CZ3 1 1 9 4394 1 1 25 TRP H H 16.219 2.615 0.394 1.00 . A A . 25 TRP H 1 1 9 4395 1 1 25 TRP HA H 13.620 1.714 -0.156 1.00 . A A . 25 TRP HA 1 1 9 4396 1 1 25 TRP HB2 H 14.584 -0.131 0.660 1.00 . A A . 25 TRP HB2 1 1 9 4397 1 1 25 TRP HB3 H 15.892 0.816 1.364 1.00 . A A . 25 TRP HB3 1 1 9 4398 1 1 25 TRP HD1 H 12.330 -0.398 2.265 1.00 . A A . 25 TRP HD1 1 1 9 4399 1 1 25 TRP HE1 H 12.190 -0.628 4.825 1.00 . A A . 25 TRP HE1 1 1 9 4400 1 1 25 TRP HE3 H 16.937 1.442 3.496 1.00 . A A . 25 TRP HE3 1 1 9 4401 1 1 25 TRP HH2 H 16.041 0.794 7.620 1.00 . A A . 25 TRP HH2 1 1 9 4402 1 1 25 TRP HZ2 H 13.818 -0.098 7.069 1.00 . A A . 25 TRP HZ2 1 1 9 4403 1 1 25 TRP HZ3 H 17.569 1.548 5.873 1.00 . A A . 25 TRP HZ3 1 1 9 4404 1 1 25 TRP N N 15.284 2.867 0.239 1.00 . A A . 25 TRP N 1 1 9 4405 1 1 25 TRP NE1 N 12.972 -0.270 4.352 1.00 . A A . 25 TRP NE1 1 1 9 4406 1 1 25 TRP O O 13.770 2.948 2.848 1.00 . A A . 25 TRP O 1 1 9 4407 1 1 26 CYS C C 11.272 3.086 3.651 1.00 . A A . 26 CYS C 1 1 9 4408 1 1 26 CYS CA C 11.154 3.626 2.228 1.00 . A A . 26 CYS CA 1 1 9 4409 1 1 26 CYS CB C 9.724 3.438 1.718 1.00 . A A . 26 CYS CB 1 1 9 4410 1 1 26 CYS H H 11.814 2.718 0.434 1.00 . A A . 26 CYS H 1 1 9 4411 1 1 26 CYS HA H 11.389 4.679 2.236 1.00 . A A . 26 CYS HA 1 1 9 4412 1 1 26 CYS HB2 H 9.579 2.403 1.447 1.00 . A A . 26 CYS HB2 1 1 9 4413 1 1 26 CYS HB3 H 9.032 3.699 2.506 1.00 . A A . 26 CYS HB3 1 1 9 4414 1 1 26 CYS N N 12.099 2.961 1.340 1.00 . A A . 26 CYS N 1 1 9 4415 1 1 26 CYS O O 11.269 1.875 3.869 1.00 . A A . 26 CYS O 1 1 9 4416 1 1 26 CYS SG S 9.315 4.453 0.262 1.00 . A A . 26 CYS SG 1 1 9 4417 1 1 27 ARG C C 10.124 3.430 6.650 1.00 . A A . 27 ARG C 1 1 9 4418 1 1 27 ARG CA C 11.500 3.611 6.016 1.00 . A A . 27 ARG CA 1 1 9 4419 1 1 27 ARG CB C 12.296 4.664 6.790 1.00 . A A . 27 ARG CB 1 1 9 4420 1 1 27 ARG CD C 14.511 5.832 6.992 1.00 . A A . 27 ARG CD 1 1 9 4421 1 1 27 ARG CG C 13.800 4.546 6.609 1.00 . A A . 27 ARG CG 1 1 9 4422 1 1 27 ARG CZ C 15.671 5.317 9.097 1.00 . A A . 27 ARG CZ 1 1 9 4423 1 1 27 ARG H H 11.376 4.946 4.380 1.00 . A A . 27 ARG H 1 1 9 4424 1 1 27 ARG HA H 12.028 2.670 6.059 1.00 . A A . 27 ARG HA 1 1 9 4425 1 1 27 ARG HB2 H 11.991 5.645 6.455 1.00 . A A . 27 ARG HB2 1 1 9 4426 1 1 27 ARG HB3 H 12.071 4.567 7.841 1.00 . A A . 27 ARG HB3 1 1 9 4427 1 1 27 ARG HD2 H 15.475 5.855 6.508 1.00 . A A . 27 ARG HD2 1 1 9 4428 1 1 27 ARG HD3 H 13.919 6.670 6.653 1.00 . A A . 27 ARG HD3 1 1 9 4429 1 1 27 ARG HE H 14.084 6.511 8.936 1.00 . A A . 27 ARG HE 1 1 9 4430 1 1 27 ARG HG2 H 14.167 3.746 7.235 1.00 . A A . 27 ARG HG2 1 1 9 4431 1 1 27 ARG HG3 H 14.013 4.320 5.575 1.00 . A A . 27 ARG HG3 1 1 9 4432 1 1 27 ARG HH11 H 16.447 4.427 7.459 1.00 . A A . 27 ARG HH11 1 1 9 4433 1 1 27 ARG HH12 H 17.256 4.071 8.948 1.00 . A A . 27 ARG HH12 1 1 9 4434 1 1 27 ARG HH21 H 15.139 6.050 10.903 1.00 . A A . 27 ARG HH21 1 1 9 4435 1 1 27 ARG HH22 H 16.512 4.995 10.908 1.00 . A A . 27 ARG HH22 1 1 9 4436 1 1 27 ARG N N 11.378 3.994 4.615 1.00 . A A . 27 ARG N 1 1 9 4437 1 1 27 ARG NE N 14.705 5.944 8.435 1.00 . A A . 27 ARG NE 1 1 9 4438 1 1 27 ARG NH1 N 16.530 4.540 8.448 1.00 . A A . 27 ARG NH1 1 1 9 4439 1 1 27 ARG NH2 N 15.783 5.467 10.411 1.00 . A A . 27 ARG NH2 1 1 9 4440 1 1 27 ARG O O 9.905 3.809 7.802 1.00 . A A . 27 ARG O 1 1 9 4441 1 1 28 LYS C C 7.804 1.418 7.325 1.00 . A A . 28 LYS C 1 1 9 4442 1 1 28 LYS CA C 7.845 2.617 6.381 1.00 . A A . 28 LYS CA 1 1 9 4443 1 1 28 LYS CB C 6.892 2.387 5.206 1.00 . A A . 28 LYS CB 1 1 9 4444 1 1 28 LYS CD C 4.423 2.606 5.620 1.00 . A A . 28 LYS CD 1 1 9 4445 1 1 28 LYS CE C 3.938 3.078 6.981 1.00 . A A . 28 LYS CE 1 1 9 4446 1 1 28 LYS CG C 5.695 3.324 5.202 1.00 . A A . 28 LYS CG 1 1 9 4447 1 1 28 LYS H H 9.436 2.568 4.984 1.00 . A A . 28 LYS H 1 1 9 4448 1 1 28 LYS HA H 7.532 3.495 6.923 1.00 . A A . 28 LYS HA 1 1 9 4449 1 1 28 LYS HB2 H 7.434 2.527 4.284 1.00 . A A . 28 LYS HB2 1 1 9 4450 1 1 28 LYS HB3 H 6.526 1.371 5.249 1.00 . A A . 28 LYS HB3 1 1 9 4451 1 1 28 LYS HD2 H 3.654 2.800 4.889 1.00 . A A . 28 LYS HD2 1 1 9 4452 1 1 28 LYS HD3 H 4.619 1.542 5.665 1.00 . A A . 28 LYS HD3 1 1 9 4453 1 1 28 LYS HE2 H 3.525 4.069 6.877 1.00 . A A . 28 LYS HE2 1 1 9 4454 1 1 28 LYS HE3 H 3.168 2.404 7.328 1.00 . A A . 28 LYS HE3 1 1 9 4455 1 1 28 LYS HG2 H 5.882 4.134 5.892 1.00 . A A . 28 LYS HG2 1 1 9 4456 1 1 28 LYS HG3 H 5.564 3.719 4.206 1.00 . A A . 28 LYS HG3 1 1 9 4457 1 1 28 LYS HZ1 H 5.661 3.927 7.800 1.00 . A A . 28 LYS HZ1 1 1 9 4458 1 1 28 LYS HZ2 H 5.602 2.241 7.925 1.00 . A A . 28 LYS HZ2 1 1 9 4459 1 1 28 LYS HZ3 H 4.647 3.196 8.942 1.00 . A A . 28 LYS HZ3 1 1 9 4460 1 1 28 LYS N N 9.202 2.849 5.893 1.00 . A A . 28 LYS N 1 1 9 4461 1 1 28 LYS NZ N 5.039 3.112 7.983 1.00 . A A . 28 LYS NZ 1 1 9 4462 1 1 28 LYS O O 8.748 1.178 8.077 1.00 . A A . 28 LYS O 1 1 9 4463 1 1 29 ILE C C 7.733 -1.452 7.983 1.00 . A A . 29 ILE C 1 1 9 4464 1 1 29 ILE CA C 6.546 -0.504 8.125 1.00 . A A . 29 ILE CA 1 1 9 4465 1 1 29 ILE CB C 5.250 -1.267 7.789 1.00 . A A . 29 ILE CB 1 1 9 4466 1 1 29 ILE CD1 C 5.641 -1.155 5.276 1.00 . A A . 29 ILE CD1 1 1 9 4467 1 1 29 ILE CG1 C 5.415 -2.044 6.480 1.00 . A A . 29 ILE CG1 1 1 9 4468 1 1 29 ILE CG2 C 4.078 -0.302 7.696 1.00 . A A . 29 ILE CG2 1 1 9 4469 1 1 29 ILE H H 5.990 0.912 6.655 1.00 . A A . 29 ILE H 1 1 9 4470 1 1 29 ILE HA H 6.487 -0.168 9.149 1.00 . A A . 29 ILE HA 1 1 9 4471 1 1 29 ILE HB H 5.053 -1.962 8.589 1.00 . A A . 29 ILE HB 1 1 9 4472 1 1 29 ILE HD11 H 6.633 -0.731 5.322 1.00 . A A . 29 ILE HD11 1 1 9 4473 1 1 29 ILE HD12 H 5.538 -1.738 4.374 1.00 . A A . 29 ILE HD12 1 1 9 4474 1 1 29 ILE HD13 H 4.911 -0.359 5.273 1.00 . A A . 29 ILE HD13 1 1 9 4475 1 1 29 ILE HG12 H 6.262 -2.706 6.566 1.00 . A A . 29 ILE HG12 1 1 9 4476 1 1 29 ILE HG13 H 4.522 -2.625 6.301 1.00 . A A . 29 ILE HG13 1 1 9 4477 1 1 29 ILE HG21 H 4.426 0.706 7.860 1.00 . A A . 29 ILE HG21 1 1 9 4478 1 1 29 ILE HG22 H 3.630 -0.373 6.716 1.00 . A A . 29 ILE HG22 1 1 9 4479 1 1 29 ILE HG23 H 3.343 -0.556 8.446 1.00 . A A . 29 ILE HG23 1 1 9 4480 1 1 29 ILE N N 6.709 0.671 7.276 1.00 . A A . 29 ILE N 1 1 9 4481 1 1 29 ILE O O 7.966 -2.302 8.840 1.00 . A A . 29 ILE O 1 1 9 4482 1 1 30 ILE C C 9.231 -3.573 6.343 1.00 . A A . 30 ILE C 1 1 9 4483 1 1 30 ILE CA C 9.644 -2.137 6.644 1.00 . A A . 30 ILE CA 1 1 9 4484 1 1 30 ILE CB C 10.612 -2.134 7.843 1.00 . A A . 30 ILE CB 1 1 9 4485 1 1 30 ILE CD1 C 11.167 0.247 7.131 1.00 . A A . 30 ILE CD1 1 1 9 4486 1 1 30 ILE CG1 C 10.907 -0.698 8.283 1.00 . A A . 30 ILE CG1 1 1 9 4487 1 1 30 ILE CG2 C 11.899 -2.860 7.487 1.00 . A A . 30 ILE CG2 1 1 9 4488 1 1 30 ILE H H 8.243 -0.600 6.248 1.00 . A A . 30 ILE H 1 1 9 4489 1 1 30 ILE HA H 10.166 -1.734 5.786 1.00 . A A . 30 ILE HA 1 1 9 4490 1 1 30 ILE HB H 10.141 -2.663 8.657 1.00 . A A . 30 ILE HB 1 1 9 4491 1 1 30 ILE HD11 H 10.270 0.342 6.535 1.00 . A A . 30 ILE HD11 1 1 9 4492 1 1 30 ILE HD12 H 11.451 1.214 7.514 1.00 . A A . 30 ILE HD12 1 1 9 4493 1 1 30 ILE HD13 H 11.965 -0.144 6.516 1.00 . A A . 30 ILE HD13 1 1 9 4494 1 1 30 ILE HG12 H 10.066 -0.318 8.841 1.00 . A A . 30 ILE HG12 1 1 9 4495 1 1 30 ILE HG13 H 11.784 -0.697 8.917 1.00 . A A . 30 ILE HG13 1 1 9 4496 1 1 30 ILE HG21 H 12.086 -2.763 6.429 1.00 . A A . 30 ILE HG21 1 1 9 4497 1 1 30 ILE HG22 H 12.721 -2.427 8.039 1.00 . A A . 30 ILE HG22 1 1 9 4498 1 1 30 ILE HG23 H 11.804 -3.906 7.741 1.00 . A A . 30 ILE HG23 1 1 9 4499 1 1 30 ILE N N 8.480 -1.296 6.896 1.00 . A A . 30 ILE N 1 1 9 4500 1 1 30 ILE O O 8.141 -3.821 5.826 1.00 . A A . 30 ILE O 1 1 10 4501 1 1 1 ARG C C -0.231 -5.331 1.627 1.00 . A A . 1 ARG C 1 1 10 4502 1 1 1 ARG CA C 0.348 -6.721 1.792 1.00 . A A . 1 ARG CA 1 1 10 4503 1 1 1 ARG H1 H 1.390 -7.205 3.572 1.00 . A A . 1 ARG H1 1 1 10 4504 1 1 1 ARG HA H 1.316 -6.757 1.317 1.00 . A A . 1 ARG HA 1 1 10 4505 1 1 1 ARG N N 0.495 -7.100 3.186 1.00 . A A . 1 ARG N 1 1 10 4506 1 1 1 ARG O O -1.004 -5.079 0.703 1.00 . A A . 1 ARG O 1 1 10 4507 1 1 2 TYR C C 0.635 -2.150 1.740 1.00 . A A . 2 TYR C 1 1 10 4508 1 1 2 TYR CA C -0.349 -3.053 2.477 1.00 . A A . 2 TYR CA 1 1 10 4509 1 1 2 TYR CB C -0.587 -2.524 3.893 1.00 . A A . 2 TYR CB 1 1 10 4510 1 1 2 TYR CD1 C -1.251 -3.793 5.973 1.00 . A A . 2 TYR CD1 1 1 10 4511 1 1 2 TYR CD2 C -2.806 -3.697 4.168 1.00 . A A . 2 TYR CD2 1 1 10 4512 1 1 2 TYR CE1 C -2.144 -4.551 6.705 1.00 . A A . 2 TYR CE1 1 1 10 4513 1 1 2 TYR CE2 C -3.705 -4.452 4.895 1.00 . A A . 2 TYR CE2 1 1 10 4514 1 1 2 TYR CG C -1.566 -3.353 4.691 1.00 . A A . 2 TYR CG 1 1 10 4515 1 1 2 TYR CZ C -3.369 -4.876 6.163 1.00 . A A . 2 TYR CZ 1 1 10 4516 1 1 2 TYR H H 0.760 -4.687 3.237 1.00 . A A . 2 TYR H 1 1 10 4517 1 1 2 TYR HA H -1.288 -3.056 1.941 1.00 . A A . 2 TYR HA 1 1 10 4518 1 1 2 TYR HB2 H 0.351 -2.512 4.427 1.00 . A A . 2 TYR HB2 1 1 10 4519 1 1 2 TYR HB3 H -0.975 -1.519 3.832 1.00 . A A . 2 TYR HB3 1 1 10 4520 1 1 2 TYR HD1 H -0.291 -3.535 6.394 1.00 . A A . 2 TYR HD1 1 1 10 4521 1 1 2 TYR HD2 H -3.066 -3.362 3.172 1.00 . A A . 2 TYR HD2 1 1 10 4522 1 1 2 TYR HE1 H -1.880 -4.883 7.700 1.00 . A A . 2 TYR HE1 1 1 10 4523 1 1 2 TYR HE2 H -4.664 -4.708 4.470 1.00 . A A . 2 TYR HE2 1 1 10 4524 1 1 2 TYR HH H -5.019 -5.092 7.125 1.00 . A A . 2 TYR HH 1 1 10 4525 1 1 2 TYR N N 0.142 -4.426 2.524 1.00 . A A . 2 TYR N 1 1 10 4526 1 1 2 TYR O O 1.768 -2.541 1.464 1.00 . A A . 2 TYR O 1 1 10 4527 1 1 2 TYR OH O -4.260 -5.631 6.891 1.00 . A A . 2 TYR OH 1 1 10 4528 1 1 3 CYS C C 1.473 -0.521 -0.628 1.00 . A A . 3 CYS C 1 1 10 4529 1 1 3 CYS CA C 1.033 0.026 0.726 1.00 . A A . 3 CYS CA 1 1 10 4530 1 1 3 CYS CB C 2.259 0.377 1.572 1.00 . A A . 3 CYS CB 1 1 10 4531 1 1 3 CYS H H -0.721 -0.680 1.678 1.00 . A A . 3 CYS H 1 1 10 4532 1 1 3 CYS HA H 0.449 0.921 0.567 1.00 . A A . 3 CYS HA 1 1 10 4533 1 1 3 CYS HB2 H 2.357 -0.346 2.367 1.00 . A A . 3 CYS HB2 1 1 10 4534 1 1 3 CYS HB3 H 3.141 0.338 0.947 1.00 . A A . 3 CYS HB3 1 1 10 4535 1 1 3 CYS N N 0.193 -0.935 1.429 1.00 . A A . 3 CYS N 1 1 10 4536 1 1 3 CYS O O 0.949 -1.530 -1.099 1.00 . A A . 3 CYS O 1 1 10 4537 1 1 3 CYS SG S 2.192 2.031 2.331 1.00 . A A . 3 CYS SG 1 1 10 4538 1 1 4 GLN C C 4.457 -0.499 -2.491 1.00 . A A . 4 GLN C 1 1 10 4539 1 1 4 GLN CA C 2.949 -0.269 -2.545 1.00 . A A . 4 GLN CA 1 1 10 4540 1 1 4 GLN CB C 2.619 0.778 -3.610 1.00 . A A . 4 GLN CB 1 1 10 4541 1 1 4 GLN CD C 0.102 0.796 -3.389 1.00 . A A . 4 GLN CD 1 1 10 4542 1 1 4 GLN CG C 1.382 1.603 -3.288 1.00 . A A . 4 GLN CG 1 1 10 4543 1 1 4 GLN H H 2.816 0.947 -0.819 1.00 . A A . 4 GLN H 1 1 10 4544 1 1 4 GLN HA H 2.467 -1.199 -2.806 1.00 . A A . 4 GLN HA 1 1 10 4545 1 1 4 GLN HB2 H 3.459 1.451 -3.709 1.00 . A A . 4 GLN HB2 1 1 10 4546 1 1 4 GLN HB3 H 2.457 0.278 -4.552 1.00 . A A . 4 GLN HB3 1 1 10 4547 1 1 4 GLN HE21 H -0.799 2.021 -2.108 1.00 . A A . 4 GLN HE21 1 1 10 4548 1 1 4 GLN HE22 H -1.763 0.720 -2.708 1.00 . A A . 4 GLN HE22 1 1 10 4549 1 1 4 GLN HG2 H 1.470 1.983 -2.283 1.00 . A A . 4 GLN HG2 1 1 10 4550 1 1 4 GLN HG3 H 1.327 2.427 -3.982 1.00 . A A . 4 GLN HG3 1 1 10 4551 1 1 4 GLN N N 2.440 0.151 -1.245 1.00 . A A . 4 GLN N 1 1 10 4552 1 1 4 GLN NE2 N -0.923 1.221 -2.661 1.00 . A A . 4 GLN NE2 1 1 10 4553 1 1 4 GLN O O 5.243 0.404 -2.775 1.00 . A A . 4 GLN O 1 1 10 4554 1 1 4 GLN OE1 O 0.037 -0.198 -4.112 1.00 . A A . 4 GLN OE1 1 1 10 4555 1 1 5 LYS C C 7.099 -0.852 -1.615 1.00 . A A . 5 LYS C 1 1 10 4556 1 1 5 LYS CA C 6.266 -2.060 -2.029 1.00 . A A . 5 LYS CA 1 1 10 4557 1 1 5 LYS CB C 6.765 -2.604 -3.370 1.00 . A A . 5 LYS CB 1 1 10 4558 1 1 5 LYS CD C 5.509 -4.410 -4.580 1.00 . A A . 5 LYS CD 1 1 10 4559 1 1 5 LYS CE C 6.109 -4.473 -5.976 1.00 . A A . 5 LYS CE 1 1 10 4560 1 1 5 LYS CG C 6.563 -4.101 -3.531 1.00 . A A . 5 LYS CG 1 1 10 4561 1 1 5 LYS H H 4.178 -2.390 -1.906 1.00 . A A . 5 LYS H 1 1 10 4562 1 1 5 LYS HA H 6.369 -2.828 -1.278 1.00 . A A . 5 LYS HA 1 1 10 4563 1 1 5 LYS HB2 H 6.240 -2.102 -4.168 1.00 . A A . 5 LYS HB2 1 1 10 4564 1 1 5 LYS HB3 H 7.822 -2.392 -3.458 1.00 . A A . 5 LYS HB3 1 1 10 4565 1 1 5 LYS HD2 H 5.056 -5.364 -4.353 1.00 . A A . 5 LYS HD2 1 1 10 4566 1 1 5 LYS HD3 H 4.753 -3.637 -4.555 1.00 . A A . 5 LYS HD3 1 1 10 4567 1 1 5 LYS HE2 H 5.963 -3.517 -6.458 1.00 . A A . 5 LYS HE2 1 1 10 4568 1 1 5 LYS HE3 H 7.166 -4.676 -5.890 1.00 . A A . 5 LYS HE3 1 1 10 4569 1 1 5 LYS HG2 H 7.499 -4.550 -3.835 1.00 . A A . 5 LYS HG2 1 1 10 4570 1 1 5 LYS HG3 H 6.252 -4.518 -2.586 1.00 . A A . 5 LYS HG3 1 1 10 4571 1 1 5 LYS HZ1 H 4.903 -6.162 -6.205 1.00 . A A . 5 LYS HZ1 1 1 10 4572 1 1 5 LYS HZ2 H 6.210 -6.102 -7.279 1.00 . A A . 5 LYS HZ2 1 1 10 4573 1 1 5 LYS HZ3 H 4.865 -5.108 -7.528 1.00 . A A . 5 LYS HZ3 1 1 10 4574 1 1 5 LYS N N 4.853 -1.712 -2.122 1.00 . A A . 5 LYS N 1 1 10 4575 1 1 5 LYS NZ N 5.478 -5.536 -6.806 1.00 . A A . 5 LYS NZ 1 1 10 4576 1 1 5 LYS O O 8.075 -0.503 -2.280 1.00 . A A . 5 LYS O 1 1 10 4577 1 1 6 TRP C C 8.929 0.788 -0.189 1.00 . A A . 6 TRP C 1 1 10 4578 1 1 6 TRP CA C 7.422 0.951 -0.013 1.00 . A A . 6 TRP CA 1 1 10 4579 1 1 6 TRP CB C 7.090 1.180 1.461 1.00 . A A . 6 TRP CB 1 1 10 4580 1 1 6 TRP CD1 C 8.744 0.791 3.379 1.00 . A A . 6 TRP CD1 1 1 10 4581 1 1 6 TRP CD2 C 7.983 -1.087 2.424 1.00 . A A . 6 TRP CD2 1 1 10 4582 1 1 6 TRP CE2 C 8.878 -1.438 3.455 1.00 . A A . 6 TRP CE2 1 1 10 4583 1 1 6 TRP CE3 C 7.377 -2.104 1.684 1.00 . A A . 6 TRP CE3 1 1 10 4584 1 1 6 TRP CG C 7.912 0.344 2.393 1.00 . A A . 6 TRP CG 1 1 10 4585 1 1 6 TRP CH2 C 8.570 -3.739 3.018 1.00 . A A . 6 TRP CH2 1 1 10 4586 1 1 6 TRP CZ2 C 9.179 -2.762 3.761 1.00 . A A . 6 TRP CZ2 1 1 10 4587 1 1 6 TRP CZ3 C 7.678 -3.418 1.986 1.00 . A A . 6 TRP CZ3 1 1 10 4588 1 1 6 TRP H H 5.924 -0.544 -0.029 1.00 . A A . 6 TRP H 1 1 10 4589 1 1 6 TRP HA H 7.094 1.808 -0.584 1.00 . A A . 6 TRP HA 1 1 10 4590 1 1 6 TRP HB2 H 7.263 2.218 1.706 1.00 . A A . 6 TRP HB2 1 1 10 4591 1 1 6 TRP HB3 H 6.048 0.943 1.631 1.00 . A A . 6 TRP HB3 1 1 10 4592 1 1 6 TRP HD1 H 8.913 1.831 3.608 1.00 . A A . 6 TRP HD1 1 1 10 4593 1 1 6 TRP HE1 H 9.964 -0.212 4.765 1.00 . A A . 6 TRP HE1 1 1 10 4594 1 1 6 TRP HE3 H 6.687 -1.879 0.884 1.00 . A A . 6 TRP HE3 1 1 10 4595 1 1 6 TRP HH2 H 8.774 -4.779 3.219 1.00 . A A . 6 TRP HH2 1 1 10 4596 1 1 6 TRP HZ2 H 9.865 -3.025 4.551 1.00 . A A . 6 TRP HZ2 1 1 10 4597 1 1 6 TRP HZ3 H 7.219 -4.219 1.423 1.00 . A A . 6 TRP HZ3 1 1 10 4598 1 1 6 TRP N N 6.709 -0.220 -0.517 1.00 . A A . 6 TRP N 1 1 10 4599 1 1 6 TRP NE1 N 9.329 -0.275 4.021 1.00 . A A . 6 TRP NE1 1 1 10 4600 1 1 6 TRP O O 9.682 1.744 -0.388 1.00 . A A . 6 TRP O 1 1 10 4601 1 1 7 NLE C C 11.613 -0.130 -1.302 1.00 . A A . 7 NLE C 1 1 10 4602 1 1 7 NLE CA C 10.856 -0.789 -0.096 1.00 . A A . 7 NLE CA 1 1 10 4603 1 1 7 NLE CB C 10.984 -2.336 -0.023 1.00 . A A . 7 NLE CB 1 1 10 4604 1 1 7 NLE CD C 12.521 -4.048 1.134 1.00 . A A . 7 NLE CD 1 1 10 4605 1 1 7 NLE CE C 13.163 -5.191 0.472 1.00 . A A . 7 NLE CE 1 1 10 4606 1 1 7 NLE CG C 12.433 -2.850 0.174 1.00 . A A . 7 NLE CG 1 1 10 4607 1 1 7 NLE H H 8.677 -1.173 0.053 1.00 . A A . 7 NLE H 1 1 10 4608 1 1 7 NLE HA H 11.305 -0.410 0.848 1.00 . A A . 7 NLE HA 1 1 10 4609 1 1 7 NLE HB2 H 10.366 -2.719 0.812 1.00 . A A . 7 NLE HB2 1 1 10 4610 1 1 7 NLE HB3 H 10.557 -2.795 -0.937 1.00 . A A . 7 NLE HB3 1 1 10 4611 1 1 7 NLE HD2 H 13.097 -3.784 2.044 1.00 . A A . 7 NLE HD2 1 1 10 4612 1 1 7 NLE HD3 H 11.514 -4.344 1.490 1.00 . A A . 7 NLE HD3 1 1 10 4613 1 1 7 NLE HE1 H 14.122 -4.953 0.191 1.00 . A A . 7 NLE HE1 1 1 10 4614 1 1 7 NLE HE2 H 13.202 -5.987 1.122 1.00 . A A . 7 NLE HE2 1 1 10 4615 1 1 7 NLE HE3 H 12.627 -5.476 -0.359 1.00 . A A . 7 NLE HE3 1 1 10 4616 1 1 7 NLE HG2 H 12.871 -3.142 -0.803 1.00 . A A . 7 NLE HG2 1 1 10 4617 1 1 7 NLE HG3 H 13.090 -2.041 0.552 1.00 . A A . 7 NLE HG3 1 1 10 4618 1 1 7 NLE N N 9.401 -0.467 -0.116 1.00 . A A . 7 NLE N 1 1 10 4619 1 1 7 NLE O O 12.844 -0.097 -1.307 1.00 . A A . 7 NLE O 1 1 10 4620 1 1 8 TRP C C 12.510 2.067 -3.000 1.00 . A A . 8 TRP C 1 1 10 4621 1 1 8 TRP CA C 11.476 1.036 -3.434 1.00 . A A . 8 TRP CA 1 1 10 4622 1 1 8 TRP CB C 10.399 1.704 -4.289 1.00 . A A . 8 TRP CB 1 1 10 4623 1 1 8 TRP CD1 C 9.476 -0.573 -5.023 1.00 . A A . 8 TRP CD1 1 1 10 4624 1 1 8 TRP CD2 C 7.953 1.069 -4.978 1.00 . A A . 8 TRP CD2 1 1 10 4625 1 1 8 TRP CE2 C 7.320 -0.121 -5.394 1.00 . A A . 8 TRP CE2 1 1 10 4626 1 1 8 TRP CE3 C 7.191 2.236 -4.874 1.00 . A A . 8 TRP CE3 1 1 10 4627 1 1 8 TRP CG C 9.330 0.757 -4.744 1.00 . A A . 8 TRP CG 1 1 10 4628 1 1 8 TRP CH2 C 5.242 0.984 -5.597 1.00 . A A . 8 TRP CH2 1 1 10 4629 1 1 8 TRP CZ2 C 5.965 -0.173 -5.706 1.00 . A A . 8 TRP CZ2 1 1 10 4630 1 1 8 TRP CZ3 C 5.845 2.182 -5.185 1.00 . A A . 8 TRP CZ3 1 1 10 4631 1 1 8 TRP H H 9.894 0.328 -2.216 1.00 . A A . 8 TRP H 1 1 10 4632 1 1 8 TRP HA H 11.968 0.274 -4.021 1.00 . A A . 8 TRP HA 1 1 10 4633 1 1 8 TRP HB2 H 9.927 2.487 -3.715 1.00 . A A . 8 TRP HB2 1 1 10 4634 1 1 8 TRP HB3 H 10.861 2.133 -5.167 1.00 . A A . 8 TRP HB3 1 1 10 4635 1 1 8 TRP HD1 H 10.406 -1.111 -4.942 1.00 . A A . 8 TRP HD1 1 1 10 4636 1 1 8 TRP HE1 H 8.118 -2.042 -5.664 1.00 . A A . 8 TRP HE1 1 1 10 4637 1 1 8 TRP HE3 H 7.634 3.167 -4.559 1.00 . A A . 8 TRP HE3 1 1 10 4638 1 1 8 TRP HH2 H 4.188 0.990 -5.830 1.00 . A A . 8 TRP HH2 1 1 10 4639 1 1 8 TRP HZ2 H 5.486 -1.087 -6.023 1.00 . A A . 8 TRP HZ2 1 1 10 4640 1 1 8 TRP HZ3 H 5.239 3.073 -5.112 1.00 . A A . 8 TRP HZ3 1 1 10 4641 1 1 8 TRP N N 10.872 0.386 -2.276 1.00 . A A . 8 TRP N 1 1 10 4642 1 1 8 TRP NE1 N 8.273 -1.107 -5.414 1.00 . A A . 8 TRP NE1 1 1 10 4643 1 1 8 TRP O O 12.624 2.390 -1.817 1.00 . A A . 8 TRP O 1 1 10 4644 1 1 9 THR C C 13.698 4.979 -3.616 1.00 . A A . 9 THR C 1 1 10 4645 1 1 9 THR CA C 14.294 3.578 -3.681 1.00 . A A . 9 THR CA 1 1 10 4646 1 1 9 THR CB C 15.407 3.555 -4.746 1.00 . A A . 9 THR CB 1 1 10 4647 1 1 9 THR CG2 C 16.387 2.423 -4.480 1.00 . A A . 9 THR CG2 1 1 10 4648 1 1 9 THR H H 13.129 2.285 -4.888 1.00 . A A . 9 THR H 1 1 10 4649 1 1 9 THR HA H 14.735 3.339 -2.726 1.00 . A A . 9 THR HA 1 1 10 4650 1 1 9 THR HB H 15.943 4.493 -4.705 1.00 . A A . 9 THR HB 1 1 10 4651 1 1 9 THR HG1 H 14.700 4.265 -6.445 1.00 . A A . 9 THR HG1 1 1 10 4652 1 1 9 THR HG21 H 16.120 1.566 -5.082 1.00 . A A . 9 THR HG21 1 1 10 4653 1 1 9 THR HG22 H 16.351 2.154 -3.434 1.00 . A A . 9 THR HG22 1 1 10 4654 1 1 9 THR HG23 H 17.386 2.745 -4.735 1.00 . A A . 9 THR HG23 1 1 10 4655 1 1 9 THR N N 13.267 2.583 -3.966 1.00 . A A . 9 THR N 1 1 10 4656 1 1 9 THR O O 13.976 5.824 -4.468 1.00 . A A . 9 THR O 1 1 10 4657 1 1 9 THR OG1 O 14.834 3.401 -6.050 1.00 . A A . 9 THR OG1 1 1 10 4658 1 1 10 CYS C C 13.233 7.650 -2.678 1.00 . A A . 10 CYS C 1 1 10 4659 1 1 10 CYS CA C 12.241 6.521 -2.421 1.00 . A A . 10 CYS CA 1 1 10 4660 1 1 10 CYS CB C 11.667 6.641 -1.008 1.00 . A A . 10 CYS CB 1 1 10 4661 1 1 10 CYS H H 12.693 4.507 -1.953 1.00 . A A . 10 CYS H 1 1 10 4662 1 1 10 CYS HA H 11.435 6.598 -3.135 1.00 . A A . 10 CYS HA 1 1 10 4663 1 1 10 CYS HB2 H 10.918 7.420 -0.998 1.00 . A A . 10 CYS HB2 1 1 10 4664 1 1 10 CYS HB3 H 11.209 5.703 -0.732 1.00 . A A . 10 CYS HB3 1 1 10 4665 1 1 10 CYS N N 12.877 5.220 -2.600 1.00 . A A . 10 CYS N 1 1 10 4666 1 1 10 CYS O O 14.446 7.463 -2.573 1.00 . A A . 10 CYS O 1 1 10 4667 1 1 10 CYS SG S 12.905 7.050 0.264 1.00 . A A . 10 CYS SG 1 1 10 4668 1 1 11 ASP C C 12.722 11.268 -3.282 1.00 . A A . 11 ASP C 1 1 10 4669 1 1 11 ASP CA C 13.550 9.988 -3.282 1.00 . A A . 11 ASP CA 1 1 10 4670 1 1 11 ASP CB C 14.263 9.828 -4.627 1.00 . A A . 11 ASP CB 1 1 10 4671 1 1 11 ASP CG C 15.769 9.750 -4.477 1.00 . A A . 11 ASP CG 1 1 10 4672 1 1 11 ASP H H 11.737 8.913 -3.080 1.00 . A A . 11 ASP H 1 1 10 4673 1 1 11 ASP HA H 14.290 10.052 -2.499 1.00 . A A . 11 ASP HA 1 1 10 4674 1 1 11 ASP HB2 H 13.920 8.921 -5.103 1.00 . A A . 11 ASP HB2 1 1 10 4675 1 1 11 ASP HB3 H 14.024 10.672 -5.256 1.00 . A A . 11 ASP HB3 1 1 10 4676 1 1 11 ASP N N 12.711 8.825 -3.012 1.00 . A A . 11 ASP N 1 1 10 4677 1 1 11 ASP O O 13.169 12.308 -2.798 1.00 . A A . 11 ASP O 1 1 10 4678 1 1 11 ASP OD1 O 16.310 10.405 -3.559 1.00 . A A . 11 ASP OD1 1 1 10 4679 1 1 11 ASP OD2 O 16.409 9.037 -5.277 1.00 . A A . 11 ASP OD2 1 1 10 4680 1 1 12 SER C C 9.264 11.945 -4.466 1.00 . A A . 12 SER C 1 1 10 4681 1 1 12 SER CA C 10.623 12.339 -3.893 1.00 . A A . 12 SER CA 1 1 10 4682 1 1 12 SER CB C 11.249 13.444 -4.747 1.00 . A A . 12 SER CB 1 1 10 4683 1 1 12 SER H H 11.211 10.327 -4.195 1.00 . A A . 12 SER H 1 1 10 4684 1 1 12 SER HA H 10.481 12.707 -2.889 1.00 . A A . 12 SER HA 1 1 10 4685 1 1 12 SER HB2 H 12.324 13.381 -4.680 1.00 . A A . 12 SER HB2 1 1 10 4686 1 1 12 SER HB3 H 10.944 13.315 -5.775 1.00 . A A . 12 SER HB3 1 1 10 4687 1 1 12 SER HG H 10.821 14.743 -3.342 1.00 . A A . 12 SER HG 1 1 10 4688 1 1 12 SER N N 11.512 11.185 -3.826 1.00 . A A . 12 SER N 1 1 10 4689 1 1 12 SER O O 8.227 12.465 -4.054 1.00 . A A . 12 SER O 1 1 10 4690 1 1 12 SER OG O 10.837 14.725 -4.303 1.00 . A A . 12 SER OG 1 1 10 4691 1 1 13 LYS C C 8.241 9.168 -6.657 1.00 . A A . 13 LYS C 1 1 10 4692 1 1 13 LYS CA C 8.049 10.557 -6.053 1.00 . A A . 13 LYS CA 1 1 10 4693 1 1 13 LYS CB C 7.604 11.539 -7.138 1.00 . A A . 13 LYS CB 1 1 10 4694 1 1 13 LYS CD C 5.608 13.021 -7.500 1.00 . A A . 13 LYS CD 1 1 10 4695 1 1 13 LYS CE C 5.267 14.504 -7.475 1.00 . A A . 13 LYS CE 1 1 10 4696 1 1 13 LYS CG C 6.796 12.711 -6.604 1.00 . A A . 13 LYS CG 1 1 10 4697 1 1 13 LYS H H 10.136 10.645 -5.709 1.00 . A A . 13 LYS H 1 1 10 4698 1 1 13 LYS HA H 7.285 10.503 -5.293 1.00 . A A . 13 LYS HA 1 1 10 4699 1 1 13 LYS HB2 H 8.479 11.931 -7.635 1.00 . A A . 13 LYS HB2 1 1 10 4700 1 1 13 LYS HB3 H 6.999 11.009 -7.861 1.00 . A A . 13 LYS HB3 1 1 10 4701 1 1 13 LYS HD2 H 5.849 12.736 -8.514 1.00 . A A . 13 LYS HD2 1 1 10 4702 1 1 13 LYS HD3 H 4.752 12.458 -7.158 1.00 . A A . 13 LYS HD3 1 1 10 4703 1 1 13 LYS HE2 H 4.379 14.665 -8.069 1.00 . A A . 13 LYS HE2 1 1 10 4704 1 1 13 LYS HE3 H 5.075 14.799 -6.453 1.00 . A A . 13 LYS HE3 1 1 10 4705 1 1 13 LYS HG2 H 6.433 12.464 -5.618 1.00 . A A . 13 LYS HG2 1 1 10 4706 1 1 13 LYS HG3 H 7.434 13.579 -6.550 1.00 . A A . 13 LYS HG3 1 1 10 4707 1 1 13 LYS HZ1 H 6.990 15.661 -7.246 1.00 . A A . 13 LYS HZ1 1 1 10 4708 1 1 13 LYS HZ2 H 5.988 16.169 -8.509 1.00 . A A . 13 LYS HZ2 1 1 10 4709 1 1 13 LYS HZ3 H 6.942 14.785 -8.691 1.00 . A A . 13 LYS HZ3 1 1 10 4710 1 1 13 LYS N N 9.278 11.022 -5.421 1.00 . A A . 13 LYS N 1 1 10 4711 1 1 13 LYS NZ N 6.373 15.338 -8.018 1.00 . A A . 13 LYS NZ 1 1 10 4712 1 1 13 LYS O O 8.112 8.985 -7.869 1.00 . A A . 13 LYS O 1 1 10 4713 1 1 14 ARG C C 7.464 6.015 -6.151 1.00 . A A . 14 ARG C 1 1 10 4714 1 1 14 ARG CA C 8.755 6.824 -6.256 1.00 . A A . 14 ARG CA 1 1 10 4715 1 1 14 ARG CB C 9.857 6.157 -5.434 1.00 . A A . 14 ARG CB 1 1 10 4716 1 1 14 ARG CD C 11.045 4.997 -7.322 1.00 . A A . 14 ARG CD 1 1 10 4717 1 1 14 ARG CG C 11.169 6.000 -6.184 1.00 . A A . 14 ARG CG 1 1 10 4718 1 1 14 ARG CZ C 11.789 4.749 -9.651 1.00 . A A . 14 ARG CZ 1 1 10 4719 1 1 14 ARG H H 8.635 8.404 -4.853 1.00 . A A . 14 ARG H 1 1 10 4720 1 1 14 ARG HA H 9.060 6.858 -7.292 1.00 . A A . 14 ARG HA 1 1 10 4721 1 1 14 ARG HB2 H 10.041 6.750 -4.551 1.00 . A A . 14 ARG HB2 1 1 10 4722 1 1 14 ARG HB3 H 9.521 5.174 -5.133 1.00 . A A . 14 ARG HB3 1 1 10 4723 1 1 14 ARG HD2 H 11.411 4.042 -6.980 1.00 . A A . 14 ARG HD2 1 1 10 4724 1 1 14 ARG HD3 H 10.003 4.909 -7.593 1.00 . A A . 14 ARG HD3 1 1 10 4725 1 1 14 ARG HE H 12.362 6.210 -8.422 1.00 . A A . 14 ARG HE 1 1 10 4726 1 1 14 ARG HG2 H 11.454 6.959 -6.595 1.00 . A A . 14 ARG HG2 1 1 10 4727 1 1 14 ARG HG3 H 11.928 5.661 -5.498 1.00 . A A . 14 ARG HG3 1 1 10 4728 1 1 14 ARG HH11 H 10.503 3.326 -9.011 1.00 . A A . 14 ARG HH11 1 1 10 4729 1 1 14 ARG HH12 H 11.033 3.161 -10.653 1.00 . A A . 14 ARG HH12 1 1 10 4730 1 1 14 ARG HH21 H 13.070 6.004 -10.582 1.00 . A A . 14 ARG HH21 1 1 10 4731 1 1 14 ARG HH22 H 12.496 4.685 -11.543 1.00 . A A . 14 ARG HH22 1 1 10 4732 1 1 14 ARG N N 8.546 8.194 -5.807 1.00 . A A . 14 ARG N 1 1 10 4733 1 1 14 ARG NE N 11.808 5.407 -8.497 1.00 . A A . 14 ARG NE 1 1 10 4734 1 1 14 ARG NH1 N 11.049 3.655 -9.783 1.00 . A A . 14 ARG NH1 1 1 10 4735 1 1 14 ARG NH2 N 12.511 5.181 -10.678 1.00 . A A . 14 ARG NH2 1 1 10 4736 1 1 14 ARG O O 7.495 4.787 -6.091 1.00 . A A . 14 ARG O 1 1 10 4737 1 1 15 ALA C C 4.817 5.475 -4.641 1.00 . A A . 15 ALA C 1 1 10 4738 1 1 15 ALA CA C 5.035 6.060 -6.032 1.00 . A A . 15 ALA CA 1 1 10 4739 1 1 15 ALA CB C 4.909 4.973 -7.089 1.00 . A A . 15 ALA CB 1 1 10 4740 1 1 15 ALA H H 6.375 7.692 -6.180 1.00 . A A . 15 ALA H 1 1 10 4741 1 1 15 ALA HA H 4.273 6.803 -6.221 1.00 . A A . 15 ALA HA 1 1 10 4742 1 1 15 ALA HB1 H 3.871 4.701 -7.202 1.00 . A A . 15 ALA HB1 1 1 10 4743 1 1 15 ALA HB2 H 5.290 5.342 -8.031 1.00 . A A . 15 ALA HB2 1 1 10 4744 1 1 15 ALA HB3 H 5.478 4.109 -6.785 1.00 . A A . 15 ALA HB3 1 1 10 4745 1 1 15 ALA N N 6.335 6.714 -6.129 1.00 . A A . 15 ALA N 1 1 10 4746 1 1 15 ALA O O 3.857 4.740 -4.407 1.00 . A A . 15 ALA O 1 1 10 4747 1 1 16 CYS C C 4.422 5.917 -1.632 1.00 . A A . 16 CYS C 1 1 10 4748 1 1 16 CYS CA C 5.624 5.309 -2.350 1.00 . A A . 16 CYS CA 1 1 10 4749 1 1 16 CYS CB C 6.907 5.629 -1.580 1.00 . A A . 16 CYS CB 1 1 10 4750 1 1 16 CYS H H 6.460 6.394 -3.964 1.00 . A A . 16 CYS H 1 1 10 4751 1 1 16 CYS HA H 5.497 4.238 -2.390 1.00 . A A . 16 CYS HA 1 1 10 4752 1 1 16 CYS HB2 H 7.510 6.306 -2.170 1.00 . A A . 16 CYS HB2 1 1 10 4753 1 1 16 CYS HB3 H 6.649 6.105 -0.647 1.00 . A A . 16 CYS HB3 1 1 10 4754 1 1 16 CYS N N 5.716 5.803 -3.718 1.00 . A A . 16 CYS N 1 1 10 4755 1 1 16 CYS O O 3.847 6.905 -2.088 1.00 . A A . 16 CYS O 1 1 10 4756 1 1 16 CYS SG S 7.929 4.170 -1.201 1.00 . A A . 16 CYS SG 1 1 10 4757 1 1 17 CYS C C 3.372 6.267 1.660 1.00 . A A . 17 CYS C 1 1 10 4758 1 1 17 CYS CA C 2.918 5.803 0.280 1.00 . A A . 17 CYS CA 1 1 10 4759 1 1 17 CYS CB C 1.864 4.706 0.419 1.00 . A A . 17 CYS CB 1 1 10 4760 1 1 17 CYS H H 4.550 4.538 -0.189 1.00 . A A . 17 CYS H 1 1 10 4761 1 1 17 CYS HA H 2.485 6.642 -0.244 1.00 . A A . 17 CYS HA 1 1 10 4762 1 1 17 CYS HB2 H 1.178 4.973 1.210 1.00 . A A . 17 CYS HB2 1 1 10 4763 1 1 17 CYS HB3 H 1.318 4.620 -0.509 1.00 . A A . 17 CYS HB3 1 1 10 4764 1 1 17 CYS N N 4.051 5.321 -0.504 1.00 . A A . 17 CYS N 1 1 10 4765 1 1 17 CYS O O 2.966 7.329 2.133 1.00 . A A . 17 CYS O 1 1 10 4766 1 1 17 CYS SG S 2.548 3.064 0.813 1.00 . A A . 17 CYS SG 1 1 10 4767 1 1 18 GLU C C 6.189 5.397 3.764 1.00 . A A . 18 GLU C 1 1 10 4768 1 1 18 GLU CA C 4.722 5.793 3.628 1.00 . A A . 18 GLU CA 1 1 10 4769 1 1 18 GLU CB C 3.890 5.092 4.705 1.00 . A A . 18 GLU CB 1 1 10 4770 1 1 18 GLU CD C 2.082 5.656 6.376 1.00 . A A . 18 GLU CD 1 1 10 4771 1 1 18 GLU CG C 3.451 6.013 5.830 1.00 . A A . 18 GLU CG 1 1 10 4772 1 1 18 GLU H H 4.502 4.633 1.873 1.00 . A A . 18 GLU H 1 1 10 4773 1 1 18 GLU HA H 4.638 6.862 3.760 1.00 . A A . 18 GLU HA 1 1 10 4774 1 1 18 GLU HB2 H 3.008 4.673 4.244 1.00 . A A . 18 GLU HB2 1 1 10 4775 1 1 18 GLU HB3 H 4.477 4.292 5.132 1.00 . A A . 18 GLU HB3 1 1 10 4776 1 1 18 GLU HG2 H 4.171 5.947 6.633 1.00 . A A . 18 GLU HG2 1 1 10 4777 1 1 18 GLU HG3 H 3.419 7.026 5.460 1.00 . A A . 18 GLU HG3 1 1 10 4778 1 1 18 GLU N N 4.215 5.465 2.302 1.00 . A A . 18 GLU N 1 1 10 4779 1 1 18 GLU O O 6.587 4.303 3.367 1.00 . A A . 18 GLU O 1 1 10 4780 1 1 18 GLU OE1 O 1.721 4.460 6.333 1.00 . A A . 18 GLU OE1 1 1 10 4781 1 1 18 GLU OE2 O 1.373 6.570 6.847 1.00 . A A . 18 GLU OE2 1 1 10 4782 1 1 19 GLY C C 9.250 6.591 3.386 1.00 . A A . 19 GLY C 1 1 10 4783 1 1 19 GLY CA C 8.404 6.022 4.507 1.00 . A A . 19 GLY CA 1 1 10 4784 1 1 19 GLY H H 6.618 7.151 4.629 1.00 . A A . 19 GLY H 1 1 10 4785 1 1 19 GLY HA2 H 8.729 6.451 5.442 1.00 . A A . 19 GLY HA2 1 1 10 4786 1 1 19 GLY HA3 H 8.550 4.951 4.545 1.00 . A A . 19 GLY HA3 1 1 10 4787 1 1 19 GLY N N 6.989 6.295 4.330 1.00 . A A . 19 GLY N 1 1 10 4788 1 1 19 GLY O O 10.471 6.431 3.378 1.00 . A A . 19 GLY O 1 1 10 4789 1 1 20 LEU C C 10.250 8.954 1.768 1.00 . A A . 20 LEU C 1 1 10 4790 1 1 20 LEU CA C 9.303 7.851 1.304 1.00 . A A . 20 LEU CA 1 1 10 4791 1 1 20 LEU CB C 8.300 8.415 0.296 1.00 . A A . 20 LEU CB 1 1 10 4792 1 1 20 LEU CD1 C 6.005 8.026 1.227 1.00 . A A . 20 LEU CD1 1 1 10 4793 1 1 20 LEU CD2 C 7.416 9.888 2.123 1.00 . A A . 20 LEU CD2 1 1 10 4794 1 1 20 LEU CG C 7.053 9.074 0.890 1.00 . A A . 20 LEU CG 1 1 10 4795 1 1 20 LEU H H 7.628 7.351 2.499 1.00 . A A . 20 LEU H 1 1 10 4796 1 1 20 LEU HA H 9.881 7.074 0.827 1.00 . A A . 20 LEU HA 1 1 10 4797 1 1 20 LEU HB2 H 8.811 9.152 -0.302 1.00 . A A . 20 LEU HB2 1 1 10 4798 1 1 20 LEU HB3 H 7.974 7.601 -0.335 1.00 . A A . 20 LEU HB3 1 1 10 4799 1 1 20 LEU HD11 H 5.144 8.160 0.587 1.00 . A A . 20 LEU HD11 1 1 10 4800 1 1 20 LEU HD12 H 5.705 8.136 2.258 1.00 . A A . 20 LEU HD12 1 1 10 4801 1 1 20 LEU HD13 H 6.419 7.041 1.076 1.00 . A A . 20 LEU HD13 1 1 10 4802 1 1 20 LEU HD21 H 6.617 10.581 2.344 1.00 . A A . 20 LEU HD21 1 1 10 4803 1 1 20 LEU HD22 H 8.329 10.435 1.940 1.00 . A A . 20 LEU HD22 1 1 10 4804 1 1 20 LEU HD23 H 7.557 9.221 2.963 1.00 . A A . 20 LEU HD23 1 1 10 4805 1 1 20 LEU HG H 6.629 9.747 0.158 1.00 . A A . 20 LEU HG 1 1 10 4806 1 1 20 LEU N N 8.602 7.256 2.437 1.00 . A A . 20 LEU N 1 1 10 4807 1 1 20 LEU O O 11.046 9.471 0.984 1.00 . A A . 20 LEU O 1 1 10 4808 1 1 21 ARG C C 12.393 9.798 3.940 1.00 . A A . 21 ARG C 1 1 10 4809 1 1 21 ARG CA C 11.007 10.345 3.614 1.00 . A A . 21 ARG CA 1 1 10 4810 1 1 21 ARG CB C 10.366 10.926 4.875 1.00 . A A . 21 ARG CB 1 1 10 4811 1 1 21 ARG CD C 8.822 9.965 6.610 1.00 . A A . 21 ARG CD 1 1 10 4812 1 1 21 ARG CG C 10.215 9.917 6.000 1.00 . A A . 21 ARG CG 1 1 10 4813 1 1 21 ARG CZ C 6.500 9.824 5.816 1.00 . A A . 21 ARG CZ 1 1 10 4814 1 1 21 ARG H H 9.504 8.857 3.621 1.00 . A A . 21 ARG H 1 1 10 4815 1 1 21 ARG HA H 11.107 11.131 2.879 1.00 . A A . 21 ARG HA 1 1 10 4816 1 1 21 ARG HB2 H 10.975 11.742 5.233 1.00 . A A . 21 ARG HB2 1 1 10 4817 1 1 21 ARG HB3 H 9.387 11.303 4.626 1.00 . A A . 21 ARG HB3 1 1 10 4818 1 1 21 ARG HD2 H 8.791 9.296 7.458 1.00 . A A . 21 ARG HD2 1 1 10 4819 1 1 21 ARG HD3 H 8.623 10.974 6.939 1.00 . A A . 21 ARG HD3 1 1 10 4820 1 1 21 ARG HE H 8.081 9.081 4.852 1.00 . A A . 21 ARG HE 1 1 10 4821 1 1 21 ARG HG2 H 10.389 8.926 5.609 1.00 . A A . 21 ARG HG2 1 1 10 4822 1 1 21 ARG HG3 H 10.943 10.135 6.769 1.00 . A A . 21 ARG HG3 1 1 10 4823 1 1 21 ARG HH11 H 6.739 10.778 7.579 1.00 . A A . 21 ARG HH11 1 1 10 4824 1 1 21 ARG HH12 H 5.107 10.673 7.009 1.00 . A A . 21 ARG HH12 1 1 10 4825 1 1 21 ARG HH21 H 5.936 8.934 4.091 1.00 . A A . 21 ARG HH21 1 1 10 4826 1 1 21 ARG HH22 H 4.649 9.622 5.024 1.00 . A A . 21 ARG HH22 1 1 10 4827 1 1 21 ARG N N 10.158 9.307 3.045 1.00 . A A . 21 ARG N 1 1 10 4828 1 1 21 ARG NE N 7.791 9.566 5.654 1.00 . A A . 21 ARG NE 1 1 10 4829 1 1 21 ARG NH1 N 6.080 10.480 6.890 1.00 . A A . 21 ARG NH1 1 1 10 4830 1 1 21 ARG NH2 N 5.623 9.428 4.902 1.00 . A A . 21 ARG NH2 1 1 10 4831 1 1 21 ARG O O 12.929 10.040 5.023 1.00 . A A . 21 ARG O 1 1 10 4832 1 1 22 CYS C C 15.165 8.696 1.953 1.00 . A A . 22 CYS C 1 1 10 4833 1 1 22 CYS CA C 14.291 8.475 3.187 1.00 . A A . 22 CYS CA 1 1 10 4834 1 1 22 CYS CB C 14.175 6.978 3.478 1.00 . A A . 22 CYS CB 1 1 10 4835 1 1 22 CYS H H 12.493 8.901 2.156 1.00 . A A . 22 CYS H 1 1 10 4836 1 1 22 CYS HA H 14.754 8.963 4.032 1.00 . A A . 22 CYS HA 1 1 10 4837 1 1 22 CYS HB2 H 15.140 6.602 3.784 1.00 . A A . 22 CYS HB2 1 1 10 4838 1 1 22 CYS HB3 H 13.467 6.829 4.280 1.00 . A A . 22 CYS HB3 1 1 10 4839 1 1 22 CYS N N 12.970 9.058 3.000 1.00 . A A . 22 CYS N 1 1 10 4840 1 1 22 CYS O O 14.914 9.604 1.158 1.00 . A A . 22 CYS O 1 1 10 4841 1 1 22 CYS SG S 13.619 5.984 2.057 1.00 . A A . 22 CYS SG 1 1 10 4842 1 1 23 LYS C C 16.733 6.951 -0.414 1.00 . A A . 23 LYS C 1 1 10 4843 1 1 23 LYS CA C 17.096 7.964 0.666 1.00 . A A . 23 LYS CA 1 1 10 4844 1 1 23 LYS CB C 18.540 7.746 1.122 1.00 . A A . 23 LYS CB 1 1 10 4845 1 1 23 LYS CD C 19.326 10.069 0.572 1.00 . A A . 23 LYS CD 1 1 10 4846 1 1 23 LYS CE C 19.359 10.428 2.050 1.00 . A A . 23 LYS CE 1 1 10 4847 1 1 23 LYS CG C 19.552 8.582 0.357 1.00 . A A . 23 LYS CG 1 1 10 4848 1 1 23 LYS H H 16.334 7.160 2.469 1.00 . A A . 23 LYS H 1 1 10 4849 1 1 23 LYS HA H 17.003 8.959 0.256 1.00 . A A . 23 LYS HA 1 1 10 4850 1 1 23 LYS HB2 H 18.618 7.998 2.169 1.00 . A A . 23 LYS HB2 1 1 10 4851 1 1 23 LYS HB3 H 18.793 6.705 0.990 1.00 . A A . 23 LYS HB3 1 1 10 4852 1 1 23 LYS HD2 H 20.100 10.621 0.061 1.00 . A A . 23 LYS HD2 1 1 10 4853 1 1 23 LYS HD3 H 18.360 10.339 0.167 1.00 . A A . 23 LYS HD3 1 1 10 4854 1 1 23 LYS HE2 H 18.523 9.955 2.542 1.00 . A A . 23 LYS HE2 1 1 10 4855 1 1 23 LYS HE3 H 20.282 10.062 2.477 1.00 . A A . 23 LYS HE3 1 1 10 4856 1 1 23 LYS HG2 H 20.545 8.328 0.696 1.00 . A A . 23 LYS HG2 1 1 10 4857 1 1 23 LYS HG3 H 19.463 8.363 -0.697 1.00 . A A . 23 LYS HG3 1 1 10 4858 1 1 23 LYS HZ1 H 18.310 12.167 2.540 1.00 . A A . 23 LYS HZ1 1 1 10 4859 1 1 23 LYS HZ2 H 19.527 12.403 1.389 1.00 . A A . 23 LYS HZ2 1 1 10 4860 1 1 23 LYS HZ3 H 19.935 12.189 3.017 1.00 . A A . 23 LYS HZ3 1 1 10 4861 1 1 23 LYS N N 16.187 7.863 1.803 1.00 . A A . 23 LYS N 1 1 10 4862 1 1 23 LYS NZ N 19.278 11.900 2.264 1.00 . A A . 23 LYS NZ 1 1 10 4863 1 1 23 LYS O O 16.801 7.248 -1.606 1.00 . A A . 23 LYS O 1 1 10 4864 1 1 24 LEU C C 14.788 3.894 -0.387 1.00 . A A . 24 LEU C 1 1 10 4865 1 1 24 LEU CA C 15.973 4.694 -0.920 1.00 . A A . 24 LEU CA 1 1 10 4866 1 1 24 LEU CB C 17.161 3.764 -1.169 1.00 . A A . 24 LEU CB 1 1 10 4867 1 1 24 LEU CD1 C 18.913 5.364 -1.974 1.00 . A A . 24 LEU CD1 1 1 10 4868 1 1 24 LEU CD2 C 18.980 2.974 -2.704 1.00 . A A . 24 LEU CD2 1 1 10 4869 1 1 24 LEU CG C 18.081 4.143 -2.330 1.00 . A A . 24 LEU CG 1 1 10 4870 1 1 24 LEU H H 16.314 5.574 0.974 1.00 . A A . 24 LEU H 1 1 10 4871 1 1 24 LEU HA H 15.689 5.160 -1.852 1.00 . A A . 24 LEU HA 1 1 10 4872 1 1 24 LEU HB2 H 17.757 3.740 -0.269 1.00 . A A . 24 LEU HB2 1 1 10 4873 1 1 24 LEU HB3 H 16.770 2.774 -1.366 1.00 . A A . 24 LEU HB3 1 1 10 4874 1 1 24 LEU HD11 H 18.602 6.202 -2.579 1.00 . A A . 24 LEU HD11 1 1 10 4875 1 1 24 LEU HD12 H 19.955 5.154 -2.158 1.00 . A A . 24 LEU HD12 1 1 10 4876 1 1 24 LEU HD13 H 18.773 5.603 -0.929 1.00 . A A . 24 LEU HD13 1 1 10 4877 1 1 24 LEU HD21 H 19.248 3.047 -3.748 1.00 . A A . 24 LEU HD21 1 1 10 4878 1 1 24 LEU HD22 H 18.451 2.046 -2.535 1.00 . A A . 24 LEU HD22 1 1 10 4879 1 1 24 LEU HD23 H 19.871 2.997 -2.097 1.00 . A A . 24 LEU HD23 1 1 10 4880 1 1 24 LEU HG H 17.476 4.392 -3.192 1.00 . A A . 24 LEU HG 1 1 10 4881 1 1 24 LEU N N 16.348 5.753 0.012 1.00 . A A . 24 LEU N 1 1 10 4882 1 1 24 LEU O O 13.633 4.281 -0.571 1.00 . A A . 24 LEU O 1 1 10 4883 1 1 25 TRP C C 13.178 2.703 1.826 1.00 . A A . 25 TRP C 1 1 10 4884 1 1 25 TRP CA C 14.040 1.928 0.835 1.00 . A A . 25 TRP CA 1 1 10 4885 1 1 25 TRP CB C 14.663 0.712 1.523 1.00 . A A . 25 TRP CB 1 1 10 4886 1 1 25 TRP CD1 C 13.036 -0.013 3.366 1.00 . A A . 25 TRP CD1 1 1 10 4887 1 1 25 TRP CD2 C 14.928 0.915 4.123 1.00 . A A . 25 TRP CD2 1 1 10 4888 1 1 25 TRP CE2 C 14.128 0.563 5.227 1.00 . A A . 25 TRP CE2 1 1 10 4889 1 1 25 TRP CE3 C 16.171 1.514 4.355 1.00 . A A . 25 TRP CE3 1 1 10 4890 1 1 25 TRP CG C 14.213 0.536 2.942 1.00 . A A . 25 TRP CG 1 1 10 4891 1 1 25 TRP CH2 C 15.749 1.380 6.738 1.00 . A A . 25 TRP CH2 1 1 10 4892 1 1 25 TRP CZ2 C 14.529 0.793 6.540 1.00 . A A . 25 TRP CZ2 1 1 10 4893 1 1 25 TRP CZ3 C 16.565 1.740 5.659 1.00 . A A . 25 TRP CZ3 1 1 10 4894 1 1 25 TRP H H 16.023 2.526 0.389 1.00 . A A . 25 TRP H 1 1 10 4895 1 1 25 TRP HA H 13.417 1.588 0.022 1.00 . A A . 25 TRP HA 1 1 10 4896 1 1 25 TRP HB2 H 14.398 -0.179 0.978 1.00 . A A . 25 TRP HB2 1 1 10 4897 1 1 25 TRP HB3 H 15.738 0.823 1.527 1.00 . A A . 25 TRP HB3 1 1 10 4898 1 1 25 TRP HD1 H 12.273 -0.395 2.707 1.00 . A A . 25 TRP HD1 1 1 10 4899 1 1 25 TRP HE1 H 12.236 -0.341 5.280 1.00 . A A . 25 TRP HE1 1 1 10 4900 1 1 25 TRP HE3 H 16.815 1.798 3.538 1.00 . A A . 25 TRP HE3 1 1 10 4901 1 1 25 TRP HH2 H 16.099 1.577 7.740 1.00 . A A . 25 TRP HH2 1 1 10 4902 1 1 25 TRP HZ2 H 13.911 0.520 7.382 1.00 . A A . 25 TRP HZ2 1 1 10 4903 1 1 25 TRP HZ3 H 17.522 2.203 5.858 1.00 . A A . 25 TRP HZ3 1 1 10 4904 1 1 25 TRP N N 15.082 2.782 0.274 1.00 . A A . 25 TRP N 1 1 10 4905 1 1 25 TRP NE1 N 12.978 0.000 4.739 1.00 . A A . 25 TRP NE1 1 1 10 4906 1 1 25 TRP O O 13.627 3.041 2.924 1.00 . A A . 25 TRP O 1 1 10 4907 1 1 26 CYS C C 11.151 3.278 3.744 1.00 . A A . 26 CYS C 1 1 10 4908 1 1 26 CYS CA C 11.015 3.716 2.289 1.00 . A A . 26 CYS CA 1 1 10 4909 1 1 26 CYS CB C 9.575 3.508 1.816 1.00 . A A . 26 CYS CB 1 1 10 4910 1 1 26 CYS H H 11.640 2.685 0.550 1.00 . A A . 26 CYS H 1 1 10 4911 1 1 26 CYS HA H 11.258 4.766 2.218 1.00 . A A . 26 CYS HA 1 1 10 4912 1 1 26 CYS HB2 H 9.434 2.465 1.566 1.00 . A A . 26 CYS HB2 1 1 10 4913 1 1 26 CYS HB3 H 8.899 3.775 2.613 1.00 . A A . 26 CYS HB3 1 1 10 4914 1 1 26 CYS N N 11.940 2.981 1.436 1.00 . A A . 26 CYS N 1 1 10 4915 1 1 26 CYS O O 11.102 2.086 4.052 1.00 . A A . 26 CYS O 1 1 10 4916 1 1 26 CYS SG S 9.125 4.492 0.351 1.00 . A A . 26 CYS SG 1 1 10 4917 1 1 27 ARG C C 10.126 4.067 6.772 1.00 . A A . 27 ARG C 1 1 10 4918 1 1 27 ARG CA C 11.470 3.963 6.059 1.00 . A A . 27 ARG CA 1 1 10 4919 1 1 27 ARG CB C 12.475 4.925 6.694 1.00 . A A . 27 ARG CB 1 1 10 4920 1 1 27 ARG CD C 14.859 5.711 6.814 1.00 . A A . 27 ARG CD 1 1 10 4921 1 1 27 ARG CG C 13.922 4.602 6.363 1.00 . A A . 27 ARG CG 1 1 10 4922 1 1 27 ARG CZ C 16.019 6.350 8.885 1.00 . A A . 27 ARG CZ 1 1 10 4923 1 1 27 ARG H H 11.356 5.180 4.329 1.00 . A A . 27 ARG H 1 1 10 4924 1 1 27 ARG HA H 11.839 2.954 6.159 1.00 . A A . 27 ARG HA 1 1 10 4925 1 1 27 ARG HB2 H 12.265 5.926 6.346 1.00 . A A . 27 ARG HB2 1 1 10 4926 1 1 27 ARG HB3 H 12.357 4.894 7.765 1.00 . A A . 27 ARG HB3 1 1 10 4927 1 1 27 ARG HD2 H 15.825 5.555 6.361 1.00 . A A . 27 ARG HD2 1 1 10 4928 1 1 27 ARG HD3 H 14.456 6.658 6.488 1.00 . A A . 27 ARG HD3 1 1 10 4929 1 1 27 ARG HE H 14.339 5.279 8.805 1.00 . A A . 27 ARG HE 1 1 10 4930 1 1 27 ARG HG2 H 14.199 3.687 6.866 1.00 . A A . 27 ARG HG2 1 1 10 4931 1 1 27 ARG HG3 H 14.018 4.472 5.297 1.00 . A A . 27 ARG HG3 1 1 10 4932 1 1 27 ARG HH11 H 16.898 6.994 7.183 1.00 . A A . 27 ARG HH11 1 1 10 4933 1 1 27 ARG HH12 H 17.706 7.438 8.650 1.00 . A A . 27 ARG HH12 1 1 10 4934 1 1 27 ARG HH21 H 15.395 5.856 10.742 1.00 . A A . 27 ARG HH21 1 1 10 4935 1 1 27 ARG HH22 H 16.853 6.789 10.675 1.00 . A A . 27 ARG HH22 1 1 10 4936 1 1 27 ARG N N 11.326 4.248 4.636 1.00 . A A . 27 ARG N 1 1 10 4937 1 1 27 ARG NE N 15.016 5.739 8.266 1.00 . A A . 27 ARG NE 1 1 10 4938 1 1 27 ARG NH1 N 16.952 6.978 8.181 1.00 . A A . 27 ARG NH1 1 1 10 4939 1 1 27 ARG NH2 N 16.096 6.330 10.209 1.00 . A A . 27 ARG NH2 1 1 10 4940 1 1 27 ARG O O 9.712 5.151 7.185 1.00 . A A . 27 ARG O 1 1 10 4941 1 1 28 LYS C C 7.818 1.479 8.043 1.00 . A A . 28 LYS C 1 1 10 4942 1 1 28 LYS CA C 8.152 2.895 7.584 1.00 . A A . 28 LYS CA 1 1 10 4943 1 1 28 LYS CB C 7.058 3.410 6.646 1.00 . A A . 28 LYS CB 1 1 10 4944 1 1 28 LYS CD C 6.034 5.012 8.286 1.00 . A A . 28 LYS CD 1 1 10 4945 1 1 28 LYS CE C 4.776 4.168 8.430 1.00 . A A . 28 LYS CE 1 1 10 4946 1 1 28 LYS CG C 6.660 4.850 6.910 1.00 . A A . 28 LYS CG 1 1 10 4947 1 1 28 LYS H H 9.831 2.100 6.569 1.00 . A A . 28 LYS H 1 1 10 4948 1 1 28 LYS HA H 8.205 3.537 8.448 1.00 . A A . 28 LYS HA 1 1 10 4949 1 1 28 LYS HB2 H 7.411 3.335 5.628 1.00 . A A . 28 LYS HB2 1 1 10 4950 1 1 28 LYS HB3 H 6.182 2.788 6.759 1.00 . A A . 28 LYS HB3 1 1 10 4951 1 1 28 LYS HD2 H 6.748 4.704 9.034 1.00 . A A . 28 LYS HD2 1 1 10 4952 1 1 28 LYS HD3 H 5.777 6.052 8.435 1.00 . A A . 28 LYS HD3 1 1 10 4953 1 1 28 LYS HE2 H 4.296 4.096 7.466 1.00 . A A . 28 LYS HE2 1 1 10 4954 1 1 28 LYS HE3 H 5.057 3.182 8.766 1.00 . A A . 28 LYS HE3 1 1 10 4955 1 1 28 LYS HG2 H 7.537 5.475 6.850 1.00 . A A . 28 LYS HG2 1 1 10 4956 1 1 28 LYS HG3 H 5.944 5.158 6.161 1.00 . A A . 28 LYS HG3 1 1 10 4957 1 1 28 LYS HZ1 H 2.843 4.589 9.095 1.00 . A A . 28 LYS HZ1 1 1 10 4958 1 1 28 LYS HZ2 H 3.974 5.786 9.480 1.00 . A A . 28 LYS HZ2 1 1 10 4959 1 1 28 LYS HZ3 H 3.955 4.332 10.343 1.00 . A A . 28 LYS HZ3 1 1 10 4960 1 1 28 LYS N N 9.449 2.933 6.919 1.00 . A A . 28 LYS N 1 1 10 4961 1 1 28 LYS NZ N 3.820 4.760 9.405 1.00 . A A . 28 LYS NZ 1 1 10 4962 1 1 28 LYS O O 8.114 1.098 9.178 1.00 . A A . 28 LYS O 1 1 10 4963 1 1 29 ILE C C 7.902 -1.650 7.003 1.00 . A A . 29 ILE C 1 1 10 4964 1 1 29 ILE CA C 6.830 -0.670 7.472 1.00 . A A . 29 ILE CA 1 1 10 4965 1 1 29 ILE CB C 5.485 -1.052 6.828 1.00 . A A . 29 ILE CB 1 1 10 4966 1 1 29 ILE CD1 C 4.927 0.685 5.053 1.00 . A A . 29 ILE CD1 1 1 10 4967 1 1 29 ILE CG1 C 5.485 -0.690 5.342 1.00 . A A . 29 ILE CG1 1 1 10 4968 1 1 29 ILE CG2 C 4.339 -0.355 7.546 1.00 . A A . 29 ILE CG2 1 1 10 4969 1 1 29 ILE H H 6.993 1.063 6.271 1.00 . A A . 29 ILE H 1 1 10 4970 1 1 29 ILE HA H 6.730 -0.750 8.545 1.00 . A A . 29 ILE HA 1 1 10 4971 1 1 29 ILE HB H 5.350 -2.117 6.932 1.00 . A A . 29 ILE HB 1 1 10 4972 1 1 29 ILE HD11 H 5.354 1.063 4.136 1.00 . A A . 29 ILE HD11 1 1 10 4973 1 1 29 ILE HD12 H 3.853 0.624 4.954 1.00 . A A . 29 ILE HD12 1 1 10 4974 1 1 29 ILE HD13 H 5.177 1.353 5.865 1.00 . A A . 29 ILE HD13 1 1 10 4975 1 1 29 ILE HG12 H 6.497 -0.720 4.972 1.00 . A A . 29 ILE HG12 1 1 10 4976 1 1 29 ILE HG13 H 4.889 -1.412 4.803 1.00 . A A . 29 ILE HG13 1 1 10 4977 1 1 29 ILE HG21 H 3.461 -0.360 6.915 1.00 . A A . 29 ILE HG21 1 1 10 4978 1 1 29 ILE HG22 H 4.121 -0.879 8.466 1.00 . A A . 29 ILE HG22 1 1 10 4979 1 1 29 ILE HG23 H 4.617 0.663 7.768 1.00 . A A . 29 ILE HG23 1 1 10 4980 1 1 29 ILE N N 7.202 0.704 7.157 1.00 . A A . 29 ILE N 1 1 10 4981 1 1 29 ILE O O 7.697 -2.395 6.044 1.00 . A A . 29 ILE O 1 1 10 4982 1 1 30 ILE C C 9.724 -3.995 7.455 1.00 . A A . 30 ILE C 1 1 10 4983 1 1 30 ILE CA C 10.142 -2.534 7.342 1.00 . A A . 30 ILE CA 1 1 10 4984 1 1 30 ILE CB C 11.366 -2.290 8.244 1.00 . A A . 30 ILE CB 1 1 10 4985 1 1 30 ILE CD1 C 11.177 0.129 7.479 1.00 . A A . 30 ILE CD1 1 1 10 4986 1 1 30 ILE CG1 C 11.458 -0.812 8.629 1.00 . A A . 30 ILE CG1 1 1 10 4987 1 1 30 ILE CG2 C 12.639 -2.741 7.544 1.00 . A A . 30 ILE CG2 1 1 10 4988 1 1 30 ILE H H 9.144 -1.026 8.441 1.00 . A A . 30 ILE H 1 1 10 4989 1 1 30 ILE HA H 10.429 -2.330 6.320 1.00 . A A . 30 ILE HA 1 1 10 4990 1 1 30 ILE HB H 11.248 -2.882 9.139 1.00 . A A . 30 ILE HB 1 1 10 4991 1 1 30 ILE HD11 H 11.052 -0.440 6.569 1.00 . A A . 30 ILE HD11 1 1 10 4992 1 1 30 ILE HD12 H 10.277 0.689 7.682 1.00 . A A . 30 ILE HD12 1 1 10 4993 1 1 30 ILE HD13 H 12.006 0.812 7.364 1.00 . A A . 30 ILE HD13 1 1 10 4994 1 1 30 ILE HG12 H 10.745 -0.604 9.408 1.00 . A A . 30 ILE HG12 1 1 10 4995 1 1 30 ILE HG13 H 12.455 -0.604 8.993 1.00 . A A . 30 ILE HG13 1 1 10 4996 1 1 30 ILE HG21 H 13.282 -1.888 7.379 1.00 . A A . 30 ILE HG21 1 1 10 4997 1 1 30 ILE HG22 H 13.153 -3.463 8.161 1.00 . A A . 30 ILE HG22 1 1 10 4998 1 1 30 ILE HG23 H 12.388 -3.192 6.595 1.00 . A A . 30 ILE HG23 1 1 10 4999 1 1 30 ILE N N 9.042 -1.642 7.686 1.00 . A A . 30 ILE N 1 1 10 5000 1 1 30 ILE O O 8.999 -4.376 8.374 1.00 . A A . 30 ILE O 1 1 stop_ save_
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