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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
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614829 |
5ua7 ![]() ![]() |
30218 | cing | 4-filtered-FRED | STAR | entry | full | 238 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5ua7 # This FRED archive file contains, for PDB entry <5ua7>: # # - 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_5ua7 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5ua7 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2308.74 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 $Ocellatin_LB2 A . 1 1 stop_ save_ save_Ocellatin_LB2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Ocellatin LB2" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GVVDILKGAAKDIAGHLASKVMNX _Entity.Number_of_monomers 24 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 GLY . 1 1 2 VAL . 1 1 3 VAL . 1 1 4 ASP . 1 1 5 ILE . 1 1 6 LEU . 1 1 7 LYS . 1 1 8 GLY . 1 1 9 ALA . 1 1 10 ALA . 1 1 11 LYS . 1 1 12 ASP . 1 1 13 ILE . 1 1 14 ALA . 1 1 15 GLY . 1 1 16 HIS . 1 1 17 LEU . 1 1 18 ALA . 1 1 19 SER . 1 1 20 LYS . 1 1 21 VAL . 1 1 22 MET . 1 1 23 ASN . 1 1 24 NH2 $NH2 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 GLY 1 1 1 1 VAL 2 2 1 1 VAL 3 3 1 1 ASP 4 4 1 1 ILE 5 5 1 1 LEU 6 6 1 1 LYS 7 7 1 1 GLY 8 8 1 1 ALA 9 9 1 1 ALA 10 10 1 1 LYS 11 11 1 1 ASP 12 12 1 1 ILE 13 13 1 1 ALA 14 14 1 1 GLY 15 15 1 1 HIS 16 16 1 1 LEU 17 17 1 1 ALA 18 18 1 1 SER 19 19 1 1 LYS 20 20 1 1 VAL 21 21 1 1 MET 22 22 1 1 ASN 23 23 1 1 NH2 24 24 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY HA2 . 1 . HA2 1 1 1 1 2 1 1 2 VAL H . 2 . HN 1 1 2 1 1 1 1 1 GLY HA3 . 1 . HA1 1 1 2 1 2 1 1 2 VAL H . 2 . HN 1 1 3 1 1 1 1 2 VAL H . 2 . HN 1 1 3 1 2 1 1 2 VAL HB . 2 . HB 1 1 4 1 1 1 1 2 VAL H . 2 . HN 1 1 4 1 2 1 1 3 VAL H . 3 . HN 1 1 5 1 1 1 1 2 VAL HA . 2 . HA 1 1 5 1 2 1 1 2 VAL MG1 . 2 . HG1# 1 1 6 1 1 1 1 2 VAL HA . 2 . HA 1 1 6 1 2 1 1 3 VAL H . 3 . HN 1 1 7 1 1 1 1 2 VAL HA . 2 . HA 1 1 7 1 2 1 1 4 ASP H . 4 . HN 1 1 8 1 1 1 1 2 VAL HA . 2 . HA 1 1 8 1 2 1 1 5 ILE H . 5 . HN 1 1 9 1 1 1 1 2 VAL HA . 2 . HA 1 1 9 1 2 1 1 5 ILE HB . 5 . HB 1 1 10 1 1 1 1 2 VAL HA . 2 . HA 1 1 10 1 2 1 1 6 LEU H . 6 . HN 1 1 11 1 1 1 1 2 VAL HB . 2 . HB 1 1 11 1 2 1 1 3 VAL H . 3 . HN 1 1 12 1 1 1 1 3 VAL H . 3 . HN 1 1 12 1 2 1 1 3 VAL HB . 3 . HB 1 1 13 1 1 1 1 3 VAL H . 3 . HN 1 1 13 1 2 1 1 4 ASP H . 4 . HN 1 1 14 1 1 1 1 3 VAL H . 3 . HN 1 1 14 1 2 1 1 5 ILE H . 5 . HN 1 1 15 1 1 1 1 3 VAL HA . 3 . HA 1 1 15 1 2 1 1 3 VAL HB . 3 . HB 1 1 16 1 1 1 1 3 VAL HA . 3 . HA 1 1 16 1 2 1 1 3 VAL MG1 . 3 . HG1# 1 1 17 1 1 1 1 3 VAL HA . 3 . HA 1 1 17 1 2 1 1 3 VAL MG2 . 3 . HG2# 1 1 18 1 1 1 1 3 VAL HA . 3 . HA 1 1 18 1 2 1 1 4 ASP H . 4 . HN 1 1 19 1 1 1 1 3 VAL HA . 3 . HA 1 1 19 1 2 1 1 5 ILE H . 5 . HN 1 1 20 1 1 1 1 3 VAL HA . 3 . HA 1 1 20 1 2 1 1 6 LEU H . 6 . HN 1 1 21 1 1 1 1 3 VAL HA . 3 . HA 1 1 21 1 2 1 1 6 LEU HB2 . 6 . HB2 1 1 22 1 1 1 1 3 VAL HA . 3 . HA 1 1 22 1 2 1 1 6 LEU HB3 . 6 . HB1 1 1 23 1 1 1 1 3 VAL HA . 3 . HA 1 1 23 1 2 1 1 7 LYS H . 7 . HN 1 1 24 1 1 1 1 3 VAL HB . 3 . HB 1 1 24 1 2 1 1 4 ASP H . 4 . HN 1 1 25 1 1 1 1 3 VAL MG1 . 3 . HG1# 1 1 25 1 2 1 1 4 ASP H . 4 . HN 1 1 26 1 1 1 1 3 VAL MG2 . 3 . HG2# 1 1 26 1 2 1 1 4 ASP H . 4 . HN 1 1 27 1 1 1 1 4 ASP H . 4 . HN 1 1 27 1 2 1 1 4 ASP HB2 . 4 . HB2 1 1 28 1 1 1 1 4 ASP H . 4 . HN 1 1 28 1 2 1 1 4 ASP HB3 . 4 . HB1 1 1 29 1 1 1 1 4 ASP H . 4 . HN 1 1 29 1 2 1 1 5 ILE H . 5 . HN 1 1 30 1 1 1 1 4 ASP H . 4 . HN 1 1 30 1 2 1 1 6 LEU H . 6 . HN 1 1 31 1 1 1 1 4 ASP HA . 4 . HA 1 1 31 1 2 1 1 5 ILE H . 5 . HN 1 1 32 1 1 1 1 4 ASP HA . 4 . HA 1 1 32 1 2 1 1 7 LYS H . 7 . HN 1 1 33 1 1 1 1 4 ASP HA . 4 . HA 1 1 33 1 2 1 1 7 LYS HB3 . 7 . HB1 1 1 34 1 1 1 1 4 ASP HA . 4 . HA 1 1 34 1 2 1 1 7 LYS HD3 . 7 . HD1 1 1 35 1 1 1 1 4 ASP HB2 . 4 . HB2 1 1 35 1 2 1 1 5 ILE H . 5 . HN 1 1 36 1 1 1 1 4 ASP HB3 . 4 . HB1 1 1 36 1 2 1 1 5 ILE H . 5 . HN 1 1 37 1 1 1 1 5 ILE H . 5 . HN 1 1 37 1 2 1 1 5 ILE HB . 5 . HB 1 1 38 1 1 1 1 5 ILE H . 5 . HN 1 1 38 1 2 1 1 5 ILE MD . 5 . HD1# 1 1 39 1 1 1 1 5 ILE H . 5 . HN 1 1 39 1 2 1 1 5 ILE HG12 . 5 . HG12 1 1 40 1 1 1 1 5 ILE H . 5 . HN 1 1 40 1 2 1 1 5 ILE HG13 . 5 . HG11 1 1 41 1 1 1 1 5 ILE H . 5 . HN 1 1 41 1 2 1 1 6 LEU H . 6 . HN 1 1 42 1 1 1 1 5 ILE H . 5 . HN 1 1 42 1 2 1 1 7 LYS H . 7 . HN 1 1 43 1 1 1 1 5 ILE HA . 5 . HA 1 1 43 1 2 1 1 5 ILE HG12 . 5 . HG12 1 1 44 1 1 1 1 5 ILE HA . 5 . HA 1 1 44 1 2 1 1 5 ILE HG13 . 5 . HG11 1 1 45 1 1 1 1 5 ILE HA . 5 . HA 1 1 45 1 2 1 1 6 LEU H . 6 . HN 1 1 46 1 1 1 1 5 ILE HA . 5 . HA 1 1 46 1 2 1 1 8 GLY H . 8 . HN 1 1 47 1 1 1 1 5 ILE HB . 5 . HB 1 1 47 1 2 1 1 6 LEU H . 6 . HN 1 1 48 1 1 1 1 5 ILE HG13 . 5 . HG11 1 1 48 1 2 1 1 6 LEU H . 6 . HN 1 1 49 1 1 1 1 5 ILE MG . 5 . HG2# 1 1 49 1 2 1 1 6 LEU H . 6 . HN 1 1 50 1 1 1 1 6 LEU H . 6 . HN 1 1 50 1 2 1 1 6 LEU HB2 . 6 . HB2 1 1 51 1 1 1 1 6 LEU H . 6 . HN 1 1 51 1 2 1 1 6 LEU HB3 . 6 . HB1 1 1 52 1 1 1 1 6 LEU H . 6 . HN 1 1 52 1 2 1 1 6 LEU MD1 . 6 . HD1# 1 1 53 1 1 1 1 6 LEU H . 6 . HN 1 1 53 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 54 1 1 1 1 6 LEU H . 6 . HN 1 1 54 1 2 1 1 6 LEU HG . 6 . HG 1 1 55 1 1 1 1 6 LEU H . 6 . HN 1 1 55 1 2 1 1 7 LYS H . 7 . HN 1 1 56 1 1 1 1 6 LEU HA . 6 . HA 1 1 56 1 2 1 1 6 LEU HB2 . 6 . HB2 1 1 57 1 1 1 1 6 LEU HA . 6 . HA 1 1 57 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 58 1 1 1 1 6 LEU HA . 6 . HA 1 1 58 1 2 1 1 7 LYS H . 7 . HN 1 1 59 1 1 1 1 6 LEU HA . 6 . HA 1 1 59 1 2 1 1 8 GLY H . 8 . HN 1 1 60 1 1 1 1 6 LEU HA . 6 . HA 1 1 60 1 2 1 1 9 ALA H . 9 . HN 1 1 61 1 1 1 1 6 LEU HA . 6 . HA 1 1 61 1 2 1 1 10 ALA H . 10 . HN 1 1 62 1 1 1 1 6 LEU HB2 . 6 . HB2 1 1 62 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 63 1 1 1 1 6 LEU HB2 . 6 . HB2 1 1 63 1 2 1 1 7 LYS H . 7 . HN 1 1 64 1 1 1 1 7 LYS H . 7 . HN 1 1 64 1 2 1 1 7 LYS HB3 . 7 . HB1 1 1 65 1 1 1 1 7 LYS H . 7 . HN 1 1 65 1 2 1 1 7 LYS HD3 . 7 . HD1 1 1 66 1 1 1 1 7 LYS H . 7 . HN 1 1 66 1 2 1 1 7 LYS HG3 . 7 . HG1 1 1 67 1 1 1 1 7 LYS H . 7 . HN 1 1 67 1 2 1 1 8 GLY H . 8 . HN 1 1 68 1 1 1 1 7 LYS HA . 7 . HA 1 1 68 1 2 1 1 7 LYS HB3 . 7 . HB1 1 1 69 1 1 1 1 7 LYS HA . 7 . HA 1 1 69 1 2 1 1 7 LYS HD3 . 7 . HD1 1 1 70 1 1 1 1 7 LYS HA . 7 . HA 1 1 70 1 2 1 1 9 ALA H . 9 . HN 1 1 71 1 1 1 1 7 LYS HA . 7 . HA 1 1 71 1 2 1 1 10 ALA H . 10 . HN 1 1 72 1 1 1 1 7 LYS HA . 7 . HA 1 1 72 1 2 1 1 10 ALA MB . 10 . HB# 1 1 73 1 1 1 1 7 LYS HA . 7 . HA 1 1 73 1 2 1 1 11 LYS H . 11 . HN 1 1 74 1 1 1 1 7 LYS HB3 . 7 . HB1 1 1 74 1 2 1 1 7 LYS HD3 . 7 . HD1 1 1 75 1 1 1 1 7 LYS HB3 . 7 . HB1 1 1 75 1 2 1 1 7 LYS HE2 . 7 . HE2 1 1 76 1 1 1 1 7 LYS HB3 . 7 . HB1 1 1 76 1 2 1 1 7 LYS HE3 . 7 . HE1 1 1 77 1 1 1 1 7 LYS HB3 . 7 . HB1 1 1 77 1 2 1 1 8 GLY H . 8 . HN 1 1 78 1 1 1 1 7 LYS HD3 . 7 . HD1 1 1 78 1 2 1 1 7 LYS HE2 . 7 . HE2 1 1 79 1 1 1 1 7 LYS HD3 . 7 . HD1 1 1 79 1 2 1 1 7 LYS HG3 . 7 . HG1 1 1 80 1 1 1 1 7 LYS HD3 . 7 . HD1 1 1 80 1 2 1 1 8 GLY H . 8 . HN 1 1 81 1 1 1 1 8 GLY H . 8 . HN 1 1 81 1 2 1 1 8 GLY HA2 . 8 . HA2 1 1 82 1 1 1 1 8 GLY H . 8 . HN 1 1 82 1 2 1 1 8 GLY HA3 . 8 . HA1 1 1 83 1 1 1 1 8 GLY H . 8 . HN 1 1 83 1 2 1 1 9 ALA H . 9 . HN 1 1 84 1 1 1 1 8 GLY HA2 . 8 . HA2 1 1 84 1 2 1 1 9 ALA H . 9 . HN 1 1 85 1 1 1 1 8 GLY HA2 . 8 . HA2 1 1 85 1 2 1 1 11 LYS H . 11 . HN 1 1 86 1 1 1 1 8 GLY HA3 . 8 . HA1 1 1 86 1 2 1 1 9 ALA H . 9 . HN 1 1 87 1 1 1 1 9 ALA H . 9 . HN 1 1 87 1 2 1 1 9 ALA MB . 9 . HB# 1 1 88 1 1 1 1 9 ALA H . 9 . HN 1 1 88 1 2 1 1 10 ALA H . 10 . HN 1 1 89 1 1 1 1 9 ALA HA . 9 . HA 1 1 89 1 2 1 1 10 ALA H . 10 . HN 1 1 90 1 1 1 1 9 ALA HA . 9 . HA 1 1 90 1 2 1 1 12 ASP H . 12 . HN 1 1 91 1 1 1 1 9 ALA HA . 9 . HA 1 1 91 1 2 1 1 12 ASP HB2 . 12 . HB2 1 1 92 1 1 1 1 9 ALA HA . 9 . HA 1 1 92 1 2 1 1 12 ASP HB3 . 12 . HB1 1 1 93 1 1 1 1 9 ALA HA . 9 . HA 1 1 93 1 2 1 1 13 ILE H . 13 . HN 1 1 94 1 1 1 1 10 ALA H . 10 . HN 1 1 94 1 2 1 1 10 ALA MB . 10 . HB# 1 1 95 1 1 1 1 10 ALA H . 10 . HN 1 1 95 1 2 1 1 11 LYS H . 11 . HN 1 1 96 1 1 1 1 10 ALA MB . 10 . HB# 1 1 96 1 2 1 1 11 LYS H . 11 . HN 1 1 97 1 1 1 1 11 LYS H . 11 . HN 1 1 97 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 98 1 1 1 1 11 LYS H . 11 . HN 1 1 98 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 99 1 1 1 1 11 LYS H . 11 . HN 1 1 99 1 2 1 1 11 LYS HG3 . 11 . HG1 1 1 100 1 1 1 1 11 LYS H . 11 . HN 1 1 100 1 2 1 1 13 ILE H . 13 . HN 1 1 101 1 1 1 1 11 LYS HA . 11 . HA 1 1 101 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 102 1 1 1 1 11 LYS HA . 11 . HA 1 1 102 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 103 1 1 1 1 11 LYS HA . 11 . HA 1 1 103 1 2 1 1 12 ASP H . 12 . HN 1 1 104 1 1 1 1 11 LYS HA . 11 . HA 1 1 104 1 2 1 1 13 ILE H . 13 . HN 1 1 105 1 1 1 1 11 LYS HA . 11 . HA 1 1 105 1 2 1 1 14 ALA H . 14 . HN 1 1 106 1 1 1 1 12 ASP H . 12 . HN 1 1 106 1 2 1 1 12 ASP HB2 . 12 . HB2 1 1 107 1 1 1 1 12 ASP H . 12 . HN 1 1 107 1 2 1 1 12 ASP HB3 . 12 . HB1 1 1 108 1 1 1 1 12 ASP H . 12 . HN 1 1 108 1 2 1 1 13 ILE H . 13 . HN 1 1 109 1 1 1 1 12 ASP HA . 12 . HA 1 1 109 1 2 1 1 12 ASP HB2 . 12 . HB2 1 1 110 1 1 1 1 12 ASP HA . 12 . HA 1 1 110 1 2 1 1 13 ILE H . 13 . HN 1 1 111 1 1 1 1 12 ASP HA . 12 . HA 1 1 111 1 2 1 1 14 ALA H . 14 . HN 1 1 112 1 1 1 1 12 ASP HA . 12 . HA 1 1 112 1 2 1 1 15 GLY H . 15 . HN 1 1 113 1 1 1 1 12 ASP HB2 . 12 . HB2 1 1 113 1 2 1 1 13 ILE H . 13 . HN 1 1 114 1 1 1 1 12 ASP HB3 . 12 . HB1 1 1 114 1 2 1 1 13 ILE H . 13 . HN 1 1 115 1 1 1 1 13 ILE H . 13 . HN 1 1 115 1 2 1 1 13 ILE HB . 13 . HB 1 1 116 1 1 1 1 13 ILE H . 13 . HN 1 1 116 1 2 1 1 13 ILE MD . 13 . HD1# 1 1 117 1 1 1 1 13 ILE H . 13 . HN 1 1 117 1 2 1 1 13 ILE HG12 . 13 . HG12 1 1 118 1 1 1 1 13 ILE H . 13 . HN 1 1 118 1 2 1 1 13 ILE HG13 . 13 . HG11 1 1 119 1 1 1 1 13 ILE HA . 13 . HA 1 1 119 1 2 1 1 13 ILE HG13 . 13 . HG11 1 1 120 1 1 1 1 13 ILE HA . 13 . HA 1 1 120 1 2 1 1 14 ALA H . 14 . HN 1 1 121 1 1 1 1 13 ILE HA . 13 . HA 1 1 121 1 2 1 1 16 HIS H . 16 . HN 1 1 122 1 1 1 1 13 ILE HA . 13 . HA 1 1 122 1 2 1 1 16 HIS HB3 . 16 . HB1 1 1 123 1 1 1 1 13 ILE HA . 13 . HA 1 1 123 1 2 1 1 16 HIS HD2 . 16 . HD2 1 1 124 1 1 1 1 13 ILE HA . 13 . HA 1 1 124 1 2 1 1 17 LEU H . 17 . HN 1 1 125 1 1 1 1 13 ILE HB . 13 . HB 1 1 125 1 2 1 1 14 ALA H . 14 . HN 1 1 126 1 1 1 1 13 ILE HG13 . 13 . HG11 1 1 126 1 2 1 1 13 ILE MG . 13 . HG2# 1 1 127 1 1 1 1 13 ILE HG13 . 13 . HG11 1 1 127 1 2 1 1 14 ALA H . 14 . HN 1 1 128 1 1 1 1 14 ALA H . 14 . HN 1 1 128 1 2 1 1 14 ALA MB . 14 . HB# 1 1 129 1 1 1 1 14 ALA H . 14 . HN 1 1 129 1 2 1 1 15 GLY H . 15 . HN 1 1 130 1 1 1 1 14 ALA HA . 14 . HA 1 1 130 1 2 1 1 15 GLY H . 15 . HN 1 1 131 1 1 1 1 14 ALA HA . 14 . HA 1 1 131 1 2 1 1 16 HIS H . 16 . HN 1 1 132 1 1 1 1 14 ALA HA . 14 . HA 1 1 132 1 2 1 1 17 LEU H . 17 . HN 1 1 133 1 1 1 1 14 ALA HA . 14 . HA 1 1 133 1 2 1 1 17 LEU HB3 . 17 . HB1 1 1 134 1 1 1 1 14 ALA MB . 14 . HB# 1 1 134 1 2 1 1 15 GLY H . 15 . HN 1 1 135 1 1 1 1 14 ALA MB . 14 . HB# 1 1 135 1 2 1 1 16 HIS H . 16 . HN 1 1 136 1 1 1 1 15 GLY H . 15 . HN 1 1 136 1 2 1 1 16 HIS H . 16 . HN 1 1 137 1 1 1 1 15 GLY HA2 . 15 . HA2 1 1 137 1 2 1 1 16 HIS H . 16 . HN 1 1 138 1 1 1 1 15 GLY HA2 . 15 . HA2 1 1 138 1 2 1 1 18 ALA H . 18 . HN 1 1 139 1 1 1 1 15 GLY HA2 . 15 . HA2 1 1 139 1 2 1 1 18 ALA MB . 18 . HB# 1 1 140 1 1 1 1 15 GLY HA3 . 15 . HA1 1 1 140 1 2 1 1 16 HIS H . 16 . HN 1 1 141 1 1 1 1 16 HIS H . 16 . HN 1 1 141 1 2 1 1 16 HIS HB3 . 16 . HB1 1 1 142 1 1 1 1 16 HIS H . 16 . HN 1 1 142 1 2 1 1 16 HIS HD2 . 16 . HD2 1 1 143 1 1 1 1 16 HIS H . 16 . HN 1 1 143 1 2 1 1 17 LEU H . 17 . HN 1 1 144 1 1 1 1 16 HIS H . 16 . HN 1 1 144 1 2 1 1 18 ALA H . 18 . HN 1 1 145 1 1 1 1 16 HIS HA . 16 . HA 1 1 145 1 2 1 1 16 HIS HB3 . 16 . HB1 1 1 146 1 1 1 1 16 HIS HA . 16 . HA 1 1 146 1 2 1 1 17 LEU H . 17 . HN 1 1 147 1 1 1 1 16 HIS HA . 16 . HA 1 1 147 1 2 1 1 19 SER H . 19 . HN 1 1 148 1 1 1 1 16 HIS HA . 16 . HA 1 1 148 1 2 1 1 20 LYS H . 20 . HN 1 1 149 1 1 1 1 16 HIS HB3 . 16 . HB1 1 1 149 1 2 1 1 17 LEU H . 17 . HN 1 1 150 1 1 1 1 16 HIS HB3 . 16 . HB1 1 1 150 1 2 1 1 18 ALA H . 18 . HN 1 1 151 1 1 1 1 17 LEU H . 17 . HN 1 1 151 1 2 1 1 17 LEU HB2 . 17 . HB2 1 1 152 1 1 1 1 17 LEU H . 17 . HN 1 1 152 1 2 1 1 17 LEU HB3 . 17 . HB1 1 1 153 1 1 1 1 17 LEU H . 17 . HN 1 1 153 1 2 1 1 17 LEU MD1 . 17 . HD1# 1 1 154 1 1 1 1 17 LEU H . 17 . HN 1 1 154 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 155 1 1 1 1 17 LEU H . 17 . HN 1 1 155 1 2 1 1 17 LEU HG . 17 . HG 1 1 156 1 1 1 1 17 LEU H . 17 . HN 1 1 156 1 2 1 1 18 ALA H . 18 . HN 1 1 157 1 1 1 1 17 LEU HA . 17 . HA 1 1 157 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 158 1 1 1 1 17 LEU HA . 17 . HA 1 1 158 1 2 1 1 18 ALA H . 18 . HN 1 1 159 1 1 1 1 17 LEU HA . 17 . HA 1 1 159 1 2 1 1 19 SER H . 19 . HN 1 1 160 1 1 1 1 17 LEU HA . 17 . HA 1 1 160 1 2 1 1 20 LYS H . 20 . HN 1 1 161 1 1 1 1 17 LEU HA . 17 . HA 1 1 161 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1 162 1 1 1 1 17 LEU HA . 17 . HA 1 1 162 1 2 1 1 21 VAL H . 21 . HN 1 1 163 1 1 1 1 17 LEU HB2 . 17 . HB2 1 1 163 1 2 1 1 17 LEU MD2 . 17 . HD2# 1 1 164 1 1 1 1 17 LEU HB2 . 17 . HB2 1 1 164 1 2 1 1 17 LEU HG . 17 . HG 1 1 165 1 1 1 1 17 LEU HB2 . 17 . HB2 1 1 165 1 2 1 1 18 ALA H . 18 . HN 1 1 166 1 1 1 1 18 ALA H . 18 . HN 1 1 166 1 2 1 1 18 ALA HA . 18 . HA 1 1 167 1 1 1 1 18 ALA H . 18 . HN 1 1 167 1 2 1 1 18 ALA MB . 18 . HB# 1 1 168 1 1 1 1 18 ALA H . 18 . HN 1 1 168 1 2 1 1 19 SER H . 19 . HN 1 1 169 1 1 1 1 18 ALA H . 18 . HN 1 1 169 1 2 1 1 20 LYS H . 20 . HN 1 1 170 1 1 1 1 18 ALA HA . 18 . HA 1 1 170 1 2 1 1 21 VAL H . 21 . HN 1 1 171 1 1 1 1 18 ALA HA . 18 . HA 1 1 171 1 2 1 1 21 VAL HB . 21 . HB 1 1 172 1 1 1 1 18 ALA HA . 18 . HA 1 1 172 1 2 1 1 22 MET H . 22 . HN 1 1 173 1 1 1 1 18 ALA MB . 18 . HB# 1 1 173 1 2 1 1 19 SER H . 19 . HN 1 1 174 1 1 1 1 19 SER H . 19 . HN 1 1 174 1 2 1 1 19 SER HA . 19 . HA 1 1 175 1 1 1 1 19 SER H . 19 . HN 1 1 175 1 2 1 1 19 SER HB3 . 19 . HB1 1 1 176 1 1 1 1 19 SER HA . 19 . HA 1 1 176 1 2 1 1 19 SER HB3 . 19 . HB1 1 1 177 1 1 1 1 19 SER HA . 19 . HA 1 1 177 1 2 1 1 20 LYS H . 20 . HN 1 1 178 1 1 1 1 19 SER HA . 19 . HA 1 1 178 1 2 1 1 22 MET H . 22 . HN 1 1 179 1 1 1 1 19 SER HA . 19 . HA 1 1 179 1 2 1 1 22 MET HB2 . 22 . HB2 1 1 180 1 1 1 1 19 SER HA . 19 . HA 1 1 180 1 2 1 1 22 MET HB3 . 22 . HB1 1 1 181 1 1 1 1 19 SER HA . 19 . HA 1 1 181 1 2 1 1 23 ASN H . 23 . HN 1 1 182 1 1 1 1 19 SER HB2 . 19 . HB2 1 1 182 1 2 1 1 20 LYS H . 20 . HN 1 1 183 1 1 1 1 19 SER HB3 . 19 . HB1 1 1 183 1 2 1 1 20 LYS H . 20 . HN 1 1 184 1 1 1 1 20 LYS H . 20 . HN 1 1 184 1 2 1 1 20 LYS HA . 20 . HA 1 1 185 1 1 1 1 20 LYS H . 20 . HN 1 1 185 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1 186 1 1 1 1 20 LYS H . 20 . HN 1 1 186 1 2 1 1 20 LYS HG2 . 20 . HG2 1 1 187 1 1 1 1 20 LYS H . 20 . HN 1 1 187 1 2 1 1 20 LYS HG3 . 20 . HG1 1 1 188 1 1 1 1 20 LYS H . 20 . HN 1 1 188 1 2 1 1 21 VAL H . 21 . HN 1 1 189 1 1 1 1 20 LYS H . 20 . HN 1 1 189 1 2 1 1 22 MET H . 22 . HN 1 1 190 1 1 1 1 20 LYS HA . 20 . HA 1 1 190 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1 191 1 1 1 1 20 LYS HA . 20 . HA 1 1 191 1 2 1 1 23 ASN H . 23 . HN 1 1 192 1 1 1 1 20 LYS HA . 20 . HA 1 1 192 1 2 1 1 23 ASN QD . 23 . HD2# 1 1 193 1 1 1 1 20 LYS HA . 20 . HA 1 1 193 1 2 1 1 23 ASN HD22 . 23 . HD22 1 1 194 1 1 1 1 20 LYS HB3 . 20 . HB1 1 1 194 1 2 1 1 20 LYS HG3 . 20 . HG1 1 1 195 1 1 1 1 20 LYS HB3 . 20 . HB1 1 1 195 1 2 1 1 21 VAL H . 21 . HN 1 1 196 1 1 1 1 21 VAL H . 21 . HN 1 1 196 1 2 1 1 21 VAL HB . 21 . HB 1 1 197 1 1 1 1 21 VAL H . 21 . HN 1 1 197 1 2 1 1 22 MET H . 22 . HN 1 1 198 1 1 1 1 21 VAL MG1 . 21 . HG1# 1 1 198 1 2 1 1 22 MET H . 22 . HN 1 1 199 1 1 1 1 21 VAL MG2 . 21 . HG2# 1 1 199 1 2 1 1 22 MET H . 22 . HN 1 1 200 1 1 1 1 22 MET H . 22 . HN 1 1 200 1 2 1 1 22 MET HG2 . 22 . HG2 1 1 201 1 1 1 1 22 MET H . 22 . HN 1 1 201 1 2 1 1 22 MET HG3 . 22 . HG1 1 1 202 1 1 1 1 22 MET H . 22 . HN 1 1 202 1 2 1 1 23 ASN H . 23 . HN 1 1 203 1 1 1 1 22 MET HA . 22 . HA 1 1 203 1 2 1 1 22 MET HG2 . 22 . HG2 1 1 204 1 1 1 1 22 MET HA . 22 . HA 1 1 204 1 2 1 1 22 MET HG3 . 22 . HG1 1 1 205 1 1 1 1 22 MET HA . 22 . HA 1 1 205 1 2 1 1 23 ASN H . 23 . HN 1 1 206 1 1 1 1 22 MET HG2 . 22 . HG2 1 1 206 1 2 1 1 23 ASN H . 23 . HN 1 1 207 1 1 1 1 22 MET HG3 . 22 . HG1 1 1 207 1 2 1 1 23 ASN H . 23 . HN 1 1 208 1 1 1 1 23 ASN H . 23 . HN 1 1 208 1 2 1 1 23 ASN HB2 . 23 . HB2 1 1 209 1 1 1 1 23 ASN HA . 23 . HA 1 1 209 1 2 1 1 23 ASN HB3 . 23 . HB1 1 1 210 1 1 1 1 23 ASN HB3 . 23 . HB1 1 1 210 1 2 1 1 23 ASN QD . 23 . HD2# 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 . . . . . 5.5 1.8 5.5 1 1 2 1 . . . . . 3.4 1.8 3.4 1 1 3 1 . . . . . 3.4 1.8 3.4 1 1 4 1 . . . . . 5.5 1.8 5.5 1 1 5 1 . . . . . . 1.8 3.4 1 1 6 1 . . . . . 5.5 1.8 5.5 1 1 7 1 . . . . . 5.5 1.8 5.5 1 1 8 1 . . . . . 5.5 1.8 5.5 1 1 9 1 . . . . . 3.4 1.8 3.4 1 1 10 1 . . . . . 5.5 1.8 5.5 1 1 11 1 . . . . . 3.4 1.8 3.4 1 1 12 1 . . . . . 2.8 1.8 2.8 1 1 13 1 . . . . . 3.4 1.8 3.4 1 1 14 1 . . . . . 5.5 1.8 5.5 1 1 15 1 . . . . . 2.8 1.8 2.8 1 1 16 1 . . . . . . 1.8 3.4 1 1 17 1 . . . . . 3.4 1.8 3.4 1 1 18 1 . . . . . 5.5 1.8 5.5 1 1 19 1 . . . . . 5.5 1.8 5.5 1 1 20 1 . . . . . 5.5 1.8 5.5 1 1 21 1 . . . . . 5.5 1.8 5.5 1 1 22 1 . . . . . 3.4 1.8 3.4 1 1 23 1 . . . . . 5.5 1.8 5.5 1 1 24 1 . . . . . 3.4 1.8 3.4 1 1 25 1 . . . . . 5.5 1.8 5.5 1 1 26 1 . . . . . 5.5 1.8 5.5 1 1 27 1 . . . . . . 1.8 2.8 1 1 28 1 . . . . . 3.4 1.8 3.4 1 1 29 1 . . . . . 2.8 1.8 2.8 1 1 30 1 . . . . . 5.5 1.8 5.5 1 1 31 1 . . . . . 5.5 1.8 5.5 1 1 32 1 . . . . . 5.5 1.8 5.5 1 1 33 1 . . . . . 5.5 1.8 5.5 1 1 34 1 . . . . . 5.5 1.8 5.5 1 1 35 1 . . . . . 5.5 1.8 5.5 1 1 36 1 . . . . . 5.5 1.8 5.5 1 1 37 1 . . . . . 2.8 1.8 2.8 1 1 38 1 . . . . . 5.5 1.8 5.5 1 1 39 1 . . . . . 3.4 1.8 3.4 1 1 40 1 . . . . . 3.4 1.8 3.4 1 1 41 1 . . . . . 3.4 1.8 3.4 1 1 42 1 . . . . . 5.5 1.8 5.5 1 1 43 1 . . . . . 3.4 1.8 3.4 1 1 44 1 . . . . . 3.4 1.8 3.4 1 1 45 1 . . . . . 5.5 1.8 5.5 1 1 46 1 . . . . . 5.5 1.8 5.5 1 1 47 1 . . . . . 3.4 1.8 3.4 1 1 48 1 . . . . . 5.5 1.8 5.5 1 1 49 1 . . . . . 5.5 1.8 5.5 1 1 50 1 . . . . . 3.4 1.8 3.4 1 1 51 1 . . . . . 3.4 2.4 3.4 1 1 52 1 . . . . . 5.5 1.8 5.5 1 1 53 1 . . . . . 5.5 1.8 5.5 1 1 54 1 . . . . . 5.5 1.8 5.5 1 1 55 1 . . . . . 3.4 1.8 3.4 1 1 56 1 . . . . . 2.8 1.8 2.8 1 1 57 1 . . . . . . 1.8 3.4 1 1 58 1 . . . . . 5.5 1.8 5.5 1 1 59 1 . . . . . 5.5 1.8 5.5 1 1 60 1 . . . . . 3.4 1.8 3.4 1 1 61 1 . . . . . 5.5 1.8 5.5 1 1 62 1 . . . . . 3.4 1.8 3.4 1 1 63 1 . . . . . 5.5 1.8 5.5 1 1 64 1 . . . . . 2.8 1.8 2.8 1 1 65 1 . . . . . 5.5 3.9 5.5 1 1 66 1 . . . . . 5.5 1.8 5.5 1 1 67 1 . . . . . 3.4 1.8 3.4 1 1 68 1 . . . . . 2.8 1.8 2.8 1 1 69 1 . . . . . 3.4 1.8 3.4 1 1 70 1 . . . . . 5.5 1.8 5.5 1 1 71 1 . . . . . 5.5 1.8 5.5 1 1 72 1 . . . . . 5.5 1.8 5.5 1 1 73 1 . . . . . 5.5 1.8 5.5 1 1 74 1 . . . . . 2.8 1.8 2.8 1 1 75 1 . . . . . 5.5 1.8 5.5 1 1 76 1 . . . . . 5.5 1.8 5.5 1 1 77 1 . . . . . 3.4 1.8 3.4 1 1 78 1 . . . . . 2.8 1.8 2.8 1 1 79 1 . . . . . 2.8 1.8 2.8 1 1 80 1 . . . . . 5.5 1.8 5.5 1 1 81 1 . . . . . 2.8 1.8 2.8 1 1 82 1 . . . . . 2.8 1.8 2.8 1 1 83 1 . . . . . 5.5 1.8 5.5 1 1 84 1 . . . . . 5.5 1.8 5.5 1 1 85 1 . . . . . 5.5 1.8 5.5 1 1 86 1 . . . . . 3.4 1.8 3.4 1 1 87 1 . . . . . 3.4 1.8 3.4 1 1 88 1 . . . . . 3.4 1.8 3.4 1 1 89 1 . . . . . 5.5 1.8 5.5 1 1 90 1 . . . . . 5.5 1.8 5.5 1 1 91 1 . . . . . 5.5 1.8 5.5 1 1 92 1 . . . . . 5.5 1.8 5.5 1 1 93 1 . . . . . 5.5 1.8 5.5 1 1 94 1 . . . . . 2.8 1.8 2.8 1 1 95 1 . . . . . 3.4 1.8 3.4 1 1 96 1 . . . . . 5.5 1.8 5.5 1 1 97 1 . . . . . 2.8 1.8 2.8 1 1 98 1 . . . . . 5.5 1.8 5.5 1 1 99 1 . . . . . 5.5 1.8 5.5 1 1 100 1 . . . . . 5.5 1.8 5.5 1 1 101 1 . . . . . 2.8 1.8 2.8 1 1 102 1 . . . . . 5.5 1.8 5.5 1 1 103 1 . . . . . 5.5 1.8 5.5 1 1 104 1 . . . . . 5.5 1.8 5.5 1 1 105 1 . . . . . 5.5 1.8 5.5 1 1 106 1 . . . . . 3.4 1.8 3.4 1 1 107 1 . . . . . 2.8 1.8 2.8 1 1 108 1 . . . . . 3.4 1.8 3.4 1 1 109 1 . . . . . 2.8 1.8 2.8 1 1 110 1 . . . . . 5.5 1.8 5.5 1 1 111 1 . . . . . 5.5 1.8 5.5 1 1 112 1 . . . . . 5.5 1.8 5.5 1 1 113 1 . . . . . 5.5 1.8 5.5 1 1 114 1 . . . . . 5.5 1.8 5.5 1 1 115 1 . . . . . 2.8 1.8 2.8 1 1 116 1 . . . . . 5.5 1.8 5.5 1 1 117 1 . . . . . 5.5 1.8 5.5 1 1 118 1 . . . . . 2.8 1.8 2.8 1 1 119 1 . . . . . 3.4 1.8 3.4 1 1 120 1 . . . . . 5.5 1.8 5.5 1 1 121 1 . . . . . 5.5 1.8 5.5 1 1 122 1 . . . . . 3.4 1.8 3.4 1 1 123 1 . . . . . 5.5 1.8 5.5 1 1 124 1 . . . . . 5.5 1.8 5.5 1 1 125 1 . . . . . 3.4 1.8 3.4 1 1 126 1 . . . . . 3.4 1.8 3.4 1 1 127 1 . . . . . 5.5 1.8 5.5 1 1 128 1 . . . . . 3.4 1.8 3.4 1 1 129 1 . . . . . 5.5 1.8 5.5 1 1 130 1 . . . . . 5.5 1.8 5.5 1 1 131 1 . . . . . 5.5 1.8 5.5 1 1 132 1 . . . . . 5.5 1.8 5.5 1 1 133 1 . . . . . 5.5 1.8 5.5 1 1 134 1 . . . . . 5.5 1.8 5.5 1 1 135 1 . . . . . 5.5 1.8 5.5 1 1 136 1 . . . . . 5.5 1.8 5.5 1 1 137 1 . . . . . 5.5 1.8 5.5 1 1 138 1 . . . . . 5.5 1.8 5.5 1 1 139 1 . . . . . 3.4 1.8 3.4 1 1 140 1 . . . . . 5.5 1.8 5.5 1 1 141 1 . . . . . 2.8 1.8 2.8 1 1 142 1 . . . . . 5.5 1.8 5.5 1 1 143 1 . . . . . 2.8 1.8 2.8 1 1 144 1 . . . . . 5.5 1.8 5.5 1 1 145 1 . . . . . 2.8 1.8 2.8 1 1 146 1 . . . . . 5.5 1.8 5.5 1 1 147 1 . . . . . 5.5 1.8 5.5 1 1 148 1 . . . . . 5.5 1.8 5.5 1 1 149 1 . . . . . 3.4 1.8 3.4 1 1 150 1 . . . . . 5.5 1.8 5.5 1 1 151 1 . . . . . 3.4 1.8 3.4 1 1 152 1 . . . . . 2.8 1.8 2.8 1 1 153 1 . . . . . 5.5 1.8 5.5 1 1 154 1 . . . . . 5.5 1.8 5.5 1 1 155 1 . . . . . 3.4 1.8 3.4 1 1 156 1 . . . . . 3.4 1.8 3.4 1 1 157 1 . . . . . 5.5 3.9 5.5 1 1 158 1 . . . . . 5.5 1.8 5.5 1 1 159 1 . . . . . 5.5 1.8 5.5 1 1 160 1 . . . . . 5.5 1.8 5.5 1 1 161 1 . . . . . 5.5 1.8 5.5 1 1 162 1 . . . . . 5.5 1.8 5.5 1 1 163 1 . . . . . . 1.8 3.4 1 1 164 1 . . . . . 2.8 1.8 2.8 1 1 165 1 . . . . . 5.5 1.8 5.5 1 1 166 1 . . . . . 2.8 1.8 2.8 1 1 167 1 . . . . . 3.4 1.8 3.4 1 1 168 1 . . . . . . 1.8 3.4 1 1 169 1 . . . . . 5.5 1.8 5.5 1 1 170 1 . . . . . 5.5 1.8 5.5 1 1 171 1 . . . . . 5.5 1.8 5.5 1 1 172 1 . . . . . 5.5 1.8 5.5 1 1 173 1 . . . . . 5.5 1.8 5.5 1 1 174 1 . . . . . 2.8 1.8 2.8 1 1 175 1 . . . . . 3.4 1.8 3.4 1 1 176 1 . . . . . 2.8 1.8 2.8 1 1 177 1 . . . . . 5.5 1.8 5.5 1 1 178 1 . . . . . 5.5 1.8 5.5 1 1 179 1 . . . . . 5.5 1.8 5.5 1 1 180 1 . . . . . 5.5 1.8 5.5 1 1 181 1 . . . . . 5.5 1.8 5.5 1 1 182 1 . . . . . 3.4 1.8 3.4 1 1 183 1 . . . . . 3.4 1.8 3.4 1 1 184 1 . . . . . 2.8 1.8 2.8 1 1 185 1 . . . . . 2.8 1.8 2.8 1 1 186 1 . . . . . 5.5 1.8 5.5 1 1 187 1 . . . . . 5.5 1.8 5.5 1 1 188 1 . . . . . . 1.8 2.8 1 1 189 1 . . . . . 5.5 1.8 5.5 1 1 190 1 . . . . . 2.8 1.8 2.8 1 1 191 1 . . . . . 5.5 1.8 5.5 1 1 192 1 . . . . . 5.5 1.8 5.5 1 1 193 1 . . . . . 5.5 1.8 5.5 1 1 194 1 . . . . . 2.8 1.8 2.8 1 1 195 1 . . . . . 3.4 1.8 3.4 1 1 196 1 . . . . . 2.8 1.8 2.8 1 1 197 1 . . . . . . 1.8 2.8 1 1 198 1 . . . . . 5.5 1.8 5.5 1 1 199 1 . . . . . 5.5 1.8 5.5 1 1 200 1 . . . . . 3.4 1.8 3.4 1 1 201 1 . . . . . 2.8 1.8 2.8 1 1 202 1 . . . . . 3.4 1.8 3.4 1 1 203 1 . . . . . 3.4 1.8 3.4 1 1 204 1 . . . . . 3.4 1.8 3.4 1 1 205 1 . . . . . 5.5 1.8 5.5 1 1 206 1 . . . . . 5.5 1.8 5.5 1 1 207 1 . . . . . 5.5 1.8 5.5 1 1 208 1 . . . . . . 1.8 3.4 1 1 209 1 . . . . . 2.8 1.8 2.8 1 1 210 1 . . . . . 3.4 1.8 3.4 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 2 VAL C 1 1 3 VAL N 1 1 3 VAL CA 1 1 3 VAL C -71.54 -42.92 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 2 . 1 1 3 VAL C 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP C -104.98 -40.3 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 3 . 1 1 5 ILE C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -72.86 -42.92 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 4 . 1 1 6 LEU C 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C -87.64 -42.96 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 5 . 1 1 8 GLY C 1 1 9 ALA N 1 1 9 ALA CA 1 1 9 ALA C -74.47 -53.41 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 6 . 1 1 9 ALA C 1 1 10 ALA N 1 1 10 ALA CA 1 1 10 ALA C -69.02 -53.02 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 7 . 1 1 10 ALA C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -73.36 -49.859997 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 8 . 1 1 11 LYS C 1 1 12 ASP N 1 1 12 ASP CA 1 1 12 ASP C -74.02 -55.3 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 9 . 1 1 12 ASP C 1 1 13 ILE N 1 1 13 ILE CA 1 1 13 ILE C -74.27 -53.65 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 10 . 1 1 13 ILE C 1 1 14 ALA N 1 1 14 ALA CA 1 1 14 ALA C -106.18 -28.02 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 11 . 1 1 16 HIS C 1 1 17 LEU N 1 1 17 LEU CA 1 1 17 LEU C -70.41 -49.99 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 12 . 1 1 17 LEU C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C -82.59 -50.83 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 13 . 1 1 18 ALA C 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C -118.96999 -44.049995 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 14 . 1 1 19 SER C 1 1 20 LYS N 1 1 20 LYS CA 1 1 20 LYS C -113.649994 -59.609997 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 15 . 1 1 3 VAL N 1 1 3 VAL CA 1 1 3 VAL C 1 1 4 ASP N -51.69 -23.79 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 16 . 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP C 1 1 5 ILE N -52.0 23.88 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 17 . 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C 1 1 7 LYS N -56.22 -21.44 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 18 . 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 GLY N -73.2 1.52 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 19 . 1 1 9 ALA N 1 1 9 ALA CA 1 1 9 ALA C 1 1 10 ALA N -51.44 -30.52 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 20 . 1 1 10 ALA N 1 1 10 ALA CA 1 1 10 ALA C 1 1 11 LYS N -58.150005 -17.63 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 21 . 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C 1 1 12 ASP N -56.66 -24.719997 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 22 . 1 1 12 ASP N 1 1 12 ASP CA 1 1 12 ASP C 1 1 13 ILE N -59.92 -29.98 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 23 . 1 1 13 ILE N 1 1 13 ILE CA 1 1 13 ILE C 1 1 14 ALA N -58.6 -33.14 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 24 . 1 1 14 ALA N 1 1 14 ALA CA 1 1 14 ALA C 1 1 15 GLY N -62.47 -15.649999 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 25 . 1 1 17 LEU N 1 1 17 LEU CA 1 1 17 LEU C 1 1 18 ALA N -47.129997 -32.85 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 26 . 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C 1 1 19 SER N -51.31 0.44999996 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 27 . 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C 1 1 20 LYS N -61.340004 22.92 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 28 . 1 1 22 MET N 1 1 22 MET CA 1 1 22 MET C 1 1 23 ASN N -68.89 10.85 . 22 . N . 22 . CA . 22 . C . 23 . N 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 GLY C C -8.567 4.364 -13.202 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -9.861 4.843 -13.852 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -10.457 2.865 -13.583 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -11.505 3.778 -14.560 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -11.497 4.003 -12.876 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -9.688 5.035 -14.904 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -10.190 5.751 -13.366 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -10.909 3.793 -13.707 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -8.587 3.514 -12.312 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 VAL C C -5.965 5.114 -11.707 1.00 . A A . 2 VAL C 1 1 1 11 1 1 2 VAL CA C -6.147 4.536 -13.107 1.00 . A A . 2 VAL CA 1 1 1 12 1 1 2 VAL CB C -5.029 5.042 -14.019 1.00 . A A . 2 VAL CB 1 1 1 13 1 1 2 VAL CG1 C -3.677 4.568 -13.483 1.00 . A A . 2 VAL CG1 1 1 1 14 1 1 2 VAL CG2 C -5.236 4.493 -15.432 1.00 . A A . 2 VAL CG2 1 1 1 15 1 1 2 VAL H H -7.490 5.588 -14.364 1.00 . A A . 2 VAL H 1 1 1 16 1 1 2 VAL HA H -6.091 3.459 -13.052 1.00 . A A . 2 VAL HA 1 1 1 17 1 1 2 VAL HB H -5.046 6.122 -14.044 1.00 . A A . 2 VAL HB 1 1 1 18 1 1 2 VAL HG11 H -3.692 3.494 -13.369 1.00 . A A . 2 VAL HG11 1 1 1 19 1 1 2 VAL HG12 H -3.487 5.029 -12.525 1.00 . A A . 2 VAL HG12 1 1 1 20 1 1 2 VAL HG13 H -2.897 4.845 -14.177 1.00 . A A . 2 VAL HG13 1 1 1 21 1 1 2 VAL HG21 H -4.568 4.996 -16.116 1.00 . A A . 2 VAL HG21 1 1 1 22 1 1 2 VAL HG22 H -6.258 4.663 -15.737 1.00 . A A . 2 VAL HG22 1 1 1 23 1 1 2 VAL HG23 H -5.029 3.433 -15.440 1.00 . A A . 2 VAL HG23 1 1 1 24 1 1 2 VAL N N -7.445 4.915 -13.653 1.00 . A A . 2 VAL N 1 1 1 25 1 1 2 VAL O O -5.461 4.441 -10.808 1.00 . A A . 2 VAL O 1 1 1 26 1 1 3 VAL C C -6.870 6.163 -9.134 1.00 . A A . 3 VAL C 1 1 1 27 1 1 3 VAL CA C -6.256 7.022 -10.234 1.00 . A A . 3 VAL CA 1 1 1 28 1 1 3 VAL CB C -6.948 8.378 -10.272 1.00 . A A . 3 VAL CB 1 1 1 29 1 1 3 VAL CG1 C -6.887 9.025 -8.888 1.00 . A A . 3 VAL CG1 1 1 1 30 1 1 3 VAL CG2 C -6.247 9.280 -11.290 1.00 . A A . 3 VAL CG2 1 1 1 31 1 1 3 VAL H H -6.773 6.852 -12.282 1.00 . A A . 3 VAL H 1 1 1 32 1 1 3 VAL HA H -5.218 7.176 -10.019 1.00 . A A . 3 VAL HA 1 1 1 33 1 1 3 VAL HB H -7.971 8.238 -10.558 1.00 . A A . 3 VAL HB 1 1 1 34 1 1 3 VAL HG11 H -5.882 8.951 -8.499 1.00 . A A . 3 VAL HG11 1 1 1 35 1 1 3 VAL HG12 H -7.569 8.517 -8.222 1.00 . A A . 3 VAL HG12 1 1 1 36 1 1 3 VAL HG13 H -7.167 10.066 -8.964 1.00 . A A . 3 VAL HG13 1 1 1 37 1 1 3 VAL HG21 H -6.151 8.756 -12.229 1.00 . A A . 3 VAL HG21 1 1 1 38 1 1 3 VAL HG22 H -5.266 9.543 -10.922 1.00 . A A . 3 VAL HG22 1 1 1 39 1 1 3 VAL HG23 H -6.829 10.178 -11.436 1.00 . A A . 3 VAL HG23 1 1 1 40 1 1 3 VAL N N -6.378 6.364 -11.529 1.00 . A A . 3 VAL N 1 1 1 41 1 1 3 VAL O O -6.361 6.114 -8.014 1.00 . A A . 3 VAL O 1 1 1 42 1 1 4 ASP C C -7.784 3.417 -8.161 1.00 . A A . 4 ASP C 1 1 1 43 1 1 4 ASP CA C -8.643 4.633 -8.492 1.00 . A A . 4 ASP CA 1 1 1 44 1 1 4 ASP CB C -9.990 4.172 -9.054 1.00 . A A . 4 ASP CB 1 1 1 45 1 1 4 ASP CG C -10.789 3.457 -7.970 1.00 . A A . 4 ASP CG 1 1 1 46 1 1 4 ASP H H -8.328 5.566 -10.368 1.00 . A A . 4 ASP H 1 1 1 47 1 1 4 ASP HA H -8.817 5.197 -7.588 1.00 . A A . 4 ASP HA 1 1 1 48 1 1 4 ASP HB2 H -10.547 5.034 -9.401 1.00 . A A . 4 ASP HB2 1 1 1 49 1 1 4 ASP HB3 H -9.820 3.494 -9.879 1.00 . A A . 4 ASP HB3 1 1 1 50 1 1 4 ASP N N -7.967 5.488 -9.460 1.00 . A A . 4 ASP N 1 1 1 51 1 1 4 ASP O O -7.530 3.123 -6.993 1.00 . A A . 4 ASP O 1 1 1 52 1 1 4 ASP OD1 O -11.846 2.936 -8.287 1.00 . A A . 4 ASP OD1 1 1 1 53 1 1 4 ASP OD2 O -10.333 3.440 -6.839 1.00 . A A . 4 ASP OD2 1 1 1 54 1 1 5 ILE C C -5.257 1.879 -8.206 1.00 . A A . 5 ILE C 1 1 1 55 1 1 5 ILE CA C -6.508 1.531 -9.006 1.00 . A A . 5 ILE CA 1 1 1 56 1 1 5 ILE CB C -6.103 0.953 -10.363 1.00 . A A . 5 ILE CB 1 1 1 57 1 1 5 ILE CD1 C -6.965 0.307 -12.617 1.00 . A A . 5 ILE CD1 1 1 1 58 1 1 5 ILE CG1 C -7.359 0.631 -11.175 1.00 . A A . 5 ILE CG1 1 1 1 59 1 1 5 ILE CG2 C -5.292 -0.326 -10.152 1.00 . A A . 5 ILE CG2 1 1 1 60 1 1 5 ILE H H -7.574 2.996 -10.106 1.00 . A A . 5 ILE H 1 1 1 61 1 1 5 ILE HA H -7.075 0.788 -8.466 1.00 . A A . 5 ILE HA 1 1 1 62 1 1 5 ILE HB H -5.503 1.676 -10.897 1.00 . A A . 5 ILE HB 1 1 1 63 1 1 5 ILE HD11 H -7.856 0.137 -13.204 1.00 . A A . 5 ILE HD11 1 1 1 64 1 1 5 ILE HD12 H -6.349 -0.580 -12.632 1.00 . A A . 5 ILE HD12 1 1 1 65 1 1 5 ILE HD13 H -6.413 1.136 -13.034 1.00 . A A . 5 ILE HD13 1 1 1 66 1 1 5 ILE HG12 H -7.861 -0.222 -10.738 1.00 . A A . 5 ILE HG12 1 1 1 67 1 1 5 ILE HG13 H -8.022 1.485 -11.168 1.00 . A A . 5 ILE HG13 1 1 1 68 1 1 5 ILE HG21 H -4.348 -0.081 -9.688 1.00 . A A . 5 ILE HG21 1 1 1 69 1 1 5 ILE HG22 H -5.111 -0.799 -11.107 1.00 . A A . 5 ILE HG22 1 1 1 70 1 1 5 ILE HG23 H -5.843 -1.001 -9.515 1.00 . A A . 5 ILE HG23 1 1 1 71 1 1 5 ILE N N -7.339 2.714 -9.198 1.00 . A A . 5 ILE N 1 1 1 72 1 1 5 ILE O O -4.965 1.250 -7.189 1.00 . A A . 5 ILE O 1 1 1 73 1 1 6 LEU C C -3.581 3.556 -6.513 1.00 . A A . 6 LEU C 1 1 1 74 1 1 6 LEU CA C -3.303 3.305 -7.993 1.00 . A A . 6 LEU CA 1 1 1 75 1 1 6 LEU CB C -2.760 4.584 -8.649 1.00 . A A . 6 LEU CB 1 1 1 76 1 1 6 LEU CD1 C -0.756 4.419 -7.143 1.00 . A A . 6 LEU CD1 1 1 1 77 1 1 6 LEU CD2 C -0.642 3.493 -9.473 1.00 . A A . 6 LEU CD2 1 1 1 78 1 1 6 LEU CG C -1.224 4.610 -8.590 1.00 . A A . 6 LEU CG 1 1 1 79 1 1 6 LEU H H -4.805 3.347 -9.489 1.00 . A A . 6 LEU H 1 1 1 80 1 1 6 LEU HA H -2.569 2.521 -8.082 1.00 . A A . 6 LEU HA 1 1 1 81 1 1 6 LEU HB2 H -3.078 4.618 -9.680 1.00 . A A . 6 LEU HB2 1 1 1 82 1 1 6 LEU HB3 H -3.149 5.448 -8.129 1.00 . A A . 6 LEU HB3 1 1 1 83 1 1 6 LEU HD11 H -1.404 4.972 -6.478 1.00 . A A . 6 LEU HD11 1 1 1 84 1 1 6 LEU HD12 H 0.256 4.783 -7.042 1.00 . A A . 6 LEU HD12 1 1 1 85 1 1 6 LEU HD13 H -0.787 3.371 -6.887 1.00 . A A . 6 LEU HD13 1 1 1 86 1 1 6 LEU HD21 H 0.274 3.838 -9.928 1.00 . A A . 6 LEU HD21 1 1 1 87 1 1 6 LEU HD22 H -1.350 3.234 -10.247 1.00 . A A . 6 LEU HD22 1 1 1 88 1 1 6 LEU HD23 H -0.435 2.621 -8.870 1.00 . A A . 6 LEU HD23 1 1 1 89 1 1 6 LEU HG H -0.874 5.567 -8.949 1.00 . A A . 6 LEU HG 1 1 1 90 1 1 6 LEU N N -4.523 2.883 -8.673 1.00 . A A . 6 LEU N 1 1 1 91 1 1 6 LEU O O -2.758 3.237 -5.654 1.00 . A A . 6 LEU O 1 1 1 92 1 1 7 LYS C C -5.150 3.113 -4.032 1.00 . A A . 7 LYS C 1 1 1 93 1 1 7 LYS CA C -5.124 4.403 -4.846 1.00 . A A . 7 LYS CA 1 1 1 94 1 1 7 LYS CB C -6.494 5.069 -4.824 1.00 . A A . 7 LYS CB 1 1 1 95 1 1 7 LYS CD C -6.813 5.096 -2.313 1.00 . A A . 7 LYS CD 1 1 1 96 1 1 7 LYS CE C -5.534 5.149 -1.470 1.00 . A A . 7 LYS CE 1 1 1 97 1 1 7 LYS CG C -6.647 5.959 -3.579 1.00 . A A . 7 LYS CG 1 1 1 98 1 1 7 LYS H H -5.368 4.349 -6.944 1.00 . A A . 7 LYS H 1 1 1 99 1 1 7 LYS HA H -4.412 5.072 -4.418 1.00 . A A . 7 LYS HA 1 1 1 100 1 1 7 LYS HB2 H -6.612 5.673 -5.712 1.00 . A A . 7 LYS HB2 1 1 1 101 1 1 7 LYS HB3 H -7.241 4.309 -4.814 1.00 . A A . 7 LYS HB3 1 1 1 102 1 1 7 LYS HD2 H -7.639 5.475 -1.728 1.00 . A A . 7 LYS HD2 1 1 1 103 1 1 7 LYS HD3 H -7.015 4.072 -2.590 1.00 . A A . 7 LYS HD3 1 1 1 104 1 1 7 LYS HE2 H -4.672 5.075 -2.116 1.00 . A A . 7 LYS HE2 1 1 1 105 1 1 7 LYS HE3 H -5.498 6.083 -0.930 1.00 . A A . 7 LYS HE3 1 1 1 106 1 1 7 LYS HG2 H -5.774 6.589 -3.479 1.00 . A A . 7 LYS HG2 1 1 1 107 1 1 7 LYS HG3 H -7.520 6.585 -3.699 1.00 . A A . 7 LYS HG3 1 1 1 108 1 1 7 LYS HZ1 H -5.269 3.139 -0.997 1.00 . A A . 7 LYS HZ1 1 1 1 109 1 1 7 LYS HZ2 H -6.476 3.912 -0.086 1.00 . A A . 7 LYS HZ2 1 1 1 110 1 1 7 LYS HZ3 H -4.836 4.204 0.249 1.00 . A A . 7 LYS HZ3 1 1 1 111 1 1 7 LYS N N -4.747 4.121 -6.222 1.00 . A A . 7 LYS N 1 1 1 112 1 1 7 LYS NZ N -5.528 4.015 -0.503 1.00 . A A . 7 LYS NZ 1 1 1 113 1 1 7 LYS O O -4.412 2.966 -3.058 1.00 . A A . 7 LYS O 1 1 1 114 1 1 8 GLY C C -4.786 0.150 -3.789 1.00 . A A . 8 GLY C 1 1 1 115 1 1 8 GLY CA C -6.110 0.903 -3.748 1.00 . A A . 8 GLY CA 1 1 1 116 1 1 8 GLY H H -6.561 2.349 -5.227 1.00 . A A . 8 GLY H 1 1 1 117 1 1 8 GLY HA2 H -6.387 1.084 -2.717 1.00 . A A . 8 GLY HA2 1 1 1 118 1 1 8 GLY HA3 H -6.873 0.302 -4.225 1.00 . A A . 8 GLY HA3 1 1 1 119 1 1 8 GLY N N -6.001 2.179 -4.442 1.00 . A A . 8 GLY N 1 1 1 120 1 1 8 GLY O O -4.523 -0.710 -2.948 1.00 . A A . 8 GLY O 1 1 1 121 1 1 9 ALA C C -1.683 0.338 -3.858 1.00 . A A . 9 ALA C 1 1 1 122 1 1 9 ALA CA C -2.657 -0.173 -4.914 1.00 . A A . 9 ALA CA 1 1 1 123 1 1 9 ALA CB C -2.088 0.094 -6.308 1.00 . A A . 9 ALA CB 1 1 1 124 1 1 9 ALA H H -4.217 1.172 -5.414 1.00 . A A . 9 ALA H 1 1 1 125 1 1 9 ALA HA H -2.784 -1.237 -4.788 1.00 . A A . 9 ALA HA 1 1 1 126 1 1 9 ALA HB1 H -2.860 -0.056 -7.048 1.00 . A A . 9 ALA HB1 1 1 1 127 1 1 9 ALA HB2 H -1.270 -0.585 -6.499 1.00 . A A . 9 ALA HB2 1 1 1 128 1 1 9 ALA HB3 H -1.731 1.112 -6.362 1.00 . A A . 9 ALA HB3 1 1 1 129 1 1 9 ALA N N -3.954 0.479 -4.773 1.00 . A A . 9 ALA N 1 1 1 130 1 1 9 ALA O O -0.788 -0.386 -3.422 1.00 . A A . 9 ALA O 1 1 1 131 1 1 10 ALA C C -1.069 1.426 -1.133 1.00 . A A . 10 ALA C 1 1 1 132 1 1 10 ALA CA C -0.989 2.192 -2.450 1.00 . A A . 10 ALA CA 1 1 1 133 1 1 10 ALA CB C -1.390 3.650 -2.218 1.00 . A A . 10 ALA CB 1 1 1 134 1 1 10 ALA H H -2.589 2.122 -3.838 1.00 . A A . 10 ALA H 1 1 1 135 1 1 10 ALA HA H 0.029 2.165 -2.809 1.00 . A A . 10 ALA HA 1 1 1 136 1 1 10 ALA HB1 H -0.616 4.151 -1.655 1.00 . A A . 10 ALA HB1 1 1 1 137 1 1 10 ALA HB2 H -2.317 3.685 -1.665 1.00 . A A . 10 ALA HB2 1 1 1 138 1 1 10 ALA HB3 H -1.519 4.144 -3.170 1.00 . A A . 10 ALA HB3 1 1 1 139 1 1 10 ALA N N -1.860 1.591 -3.453 1.00 . A A . 10 ALA N 1 1 1 140 1 1 10 ALA O O -0.058 0.944 -0.622 1.00 . A A . 10 ALA O 1 1 1 141 1 1 11 LYS C C -1.815 -0.761 0.637 1.00 . A A . 11 LYS C 1 1 1 142 1 1 11 LYS CA C -2.475 0.615 0.675 1.00 . A A . 11 LYS CA 1 1 1 143 1 1 11 LYS CB C -3.971 0.457 0.956 1.00 . A A . 11 LYS CB 1 1 1 144 1 1 11 LYS CD C -6.044 -0.667 0.126 1.00 . A A . 11 LYS CD 1 1 1 145 1 1 11 LYS CE C -6.872 0.467 0.735 1.00 . A A . 11 LYS CE 1 1 1 146 1 1 11 LYS CG C -4.664 -0.139 -0.271 1.00 . A A . 11 LYS CG 1 1 1 147 1 1 11 LYS H H -3.045 1.727 -1.037 1.00 . A A . 11 LYS H 1 1 1 148 1 1 11 LYS HA H -2.032 1.193 1.471 1.00 . A A . 11 LYS HA 1 1 1 149 1 1 11 LYS HB2 H -4.110 -0.198 1.804 1.00 . A A . 11 LYS HB2 1 1 1 150 1 1 11 LYS HB3 H -4.399 1.424 1.174 1.00 . A A . 11 LYS HB3 1 1 1 151 1 1 11 LYS HD2 H -6.548 -1.051 -0.749 1.00 . A A . 11 LYS HD2 1 1 1 152 1 1 11 LYS HD3 H -5.932 -1.457 0.853 1.00 . A A . 11 LYS HD3 1 1 1 153 1 1 11 LYS HE2 H -7.913 0.182 0.755 1.00 . A A . 11 LYS HE2 1 1 1 154 1 1 11 LYS HE3 H -6.533 0.659 1.743 1.00 . A A . 11 LYS HE3 1 1 1 155 1 1 11 LYS HG2 H -4.774 0.626 -1.029 1.00 . A A . 11 LYS HG2 1 1 1 156 1 1 11 LYS HG3 H -4.068 -0.954 -0.661 1.00 . A A . 11 LYS HG3 1 1 1 157 1 1 11 LYS HZ1 H -7.012 1.508 -1.063 1.00 . A A . 11 LYS HZ1 1 1 1 158 1 1 11 LYS HZ2 H -5.709 1.988 -0.084 1.00 . A A . 11 LYS HZ2 1 1 1 159 1 1 11 LYS HZ3 H -7.293 2.462 0.311 1.00 . A A . 11 LYS HZ3 1 1 1 160 1 1 11 LYS N N -2.276 1.320 -0.587 1.00 . A A . 11 LYS N 1 1 1 161 1 1 11 LYS NZ N -6.709 1.699 -0.087 1.00 . A A . 11 LYS NZ 1 1 1 162 1 1 11 LYS O O -1.468 -1.321 1.676 1.00 . A A . 11 LYS O 1 1 1 163 1 1 12 ASP C C 0.388 -2.611 -0.149 1.00 . A A . 12 ASP C 1 1 1 164 1 1 12 ASP CA C -1.026 -2.613 -0.722 1.00 . A A . 12 ASP CA 1 1 1 165 1 1 12 ASP CB C -0.979 -2.997 -2.204 1.00 . A A . 12 ASP CB 1 1 1 166 1 1 12 ASP CG C -0.813 -4.506 -2.347 1.00 . A A . 12 ASP CG 1 1 1 167 1 1 12 ASP H H -1.942 -0.810 -1.361 1.00 . A A . 12 ASP H 1 1 1 168 1 1 12 ASP HA H -1.618 -3.343 -0.191 1.00 . A A . 12 ASP HA 1 1 1 169 1 1 12 ASP HB2 H -1.901 -2.690 -2.682 1.00 . A A . 12 ASP HB2 1 1 1 170 1 1 12 ASP HB3 H -0.143 -2.499 -2.677 1.00 . A A . 12 ASP HB3 1 1 1 171 1 1 12 ASP N N -1.645 -1.301 -0.566 1.00 . A A . 12 ASP N 1 1 1 172 1 1 12 ASP O O 0.732 -3.451 0.683 1.00 . A A . 12 ASP O 1 1 1 173 1 1 12 ASP OD1 O 0.291 -4.983 -2.142 1.00 . A A . 12 ASP OD1 1 1 1 174 1 1 12 ASP OD2 O -1.793 -5.163 -2.660 1.00 . A A . 12 ASP OD2 1 1 1 175 1 1 13 ILE C C 2.620 -1.013 1.293 1.00 . A A . 13 ILE C 1 1 1 176 1 1 13 ILE CA C 2.579 -1.565 -0.128 1.00 . A A . 13 ILE CA 1 1 1 177 1 1 13 ILE CB C 3.390 -0.655 -1.055 1.00 . A A . 13 ILE CB 1 1 1 178 1 1 13 ILE CD1 C 2.314 -0.455 -3.321 1.00 . A A . 13 ILE CD1 1 1 1 179 1 1 13 ILE CG1 C 3.356 -1.212 -2.491 1.00 . A A . 13 ILE CG1 1 1 1 180 1 1 13 ILE CG2 C 4.838 -0.594 -0.562 1.00 . A A . 13 ILE CG2 1 1 1 181 1 1 13 ILE H H 0.875 -1.024 -1.265 1.00 . A A . 13 ILE H 1 1 1 182 1 1 13 ILE HA H 3.023 -2.549 -0.133 1.00 . A A . 13 ILE HA 1 1 1 183 1 1 13 ILE HB H 2.967 0.340 -1.039 1.00 . A A . 13 ILE HB 1 1 1 184 1 1 13 ILE HD11 H 2.741 0.472 -3.674 1.00 . A A . 13 ILE HD11 1 1 1 185 1 1 13 ILE HD12 H 1.448 -0.244 -2.712 1.00 . A A . 13 ILE HD12 1 1 1 186 1 1 13 ILE HD13 H 2.020 -1.059 -4.167 1.00 . A A . 13 ILE HD13 1 1 1 187 1 1 13 ILE HG12 H 4.330 -1.094 -2.948 1.00 . A A . 13 ILE HG12 1 1 1 188 1 1 13 ILE HG13 H 3.096 -2.262 -2.466 1.00 . A A . 13 ILE HG13 1 1 1 189 1 1 13 ILE HG21 H 5.463 -0.162 -1.330 1.00 . A A . 13 ILE HG21 1 1 1 190 1 1 13 ILE HG22 H 5.184 -1.592 -0.336 1.00 . A A . 13 ILE HG22 1 1 1 191 1 1 13 ILE HG23 H 4.890 0.015 0.328 1.00 . A A . 13 ILE HG23 1 1 1 192 1 1 13 ILE N N 1.204 -1.665 -0.602 1.00 . A A . 13 ILE N 1 1 1 193 1 1 13 ILE O O 3.487 -1.380 2.087 1.00 . A A . 13 ILE O 1 1 1 194 1 1 14 ALA C C 1.476 -0.614 4.005 1.00 . A A . 14 ALA C 1 1 1 195 1 1 14 ALA CA C 1.622 0.467 2.938 1.00 . A A . 14 ALA CA 1 1 1 196 1 1 14 ALA CB C 0.442 1.437 3.026 1.00 . A A . 14 ALA CB 1 1 1 197 1 1 14 ALA H H 1.015 0.128 0.936 1.00 . A A . 14 ALA H 1 1 1 198 1 1 14 ALA HA H 2.535 1.014 3.117 1.00 . A A . 14 ALA HA 1 1 1 199 1 1 14 ALA HB1 H 0.370 2.001 2.108 1.00 . A A . 14 ALA HB1 1 1 1 200 1 1 14 ALA HB2 H 0.594 2.115 3.853 1.00 . A A . 14 ALA HB2 1 1 1 201 1 1 14 ALA HB3 H -0.472 0.882 3.179 1.00 . A A . 14 ALA HB3 1 1 1 202 1 1 14 ALA N N 1.680 -0.129 1.608 1.00 . A A . 14 ALA N 1 1 1 203 1 1 14 ALA O O 2.284 -0.700 4.929 1.00 . A A . 14 ALA O 1 1 1 204 1 1 15 GLY C C 1.350 -3.507 4.829 1.00 . A A . 15 GLY C 1 1 1 205 1 1 15 GLY CA C 0.199 -2.507 4.830 1.00 . A A . 15 GLY CA 1 1 1 206 1 1 15 GLY H H -0.172 -1.319 3.114 1.00 . A A . 15 GLY H 1 1 1 207 1 1 15 GLY HA2 H 0.099 -2.080 5.820 1.00 . A A . 15 GLY HA2 1 1 1 208 1 1 15 GLY HA3 H -0.716 -3.021 4.565 1.00 . A A . 15 GLY HA3 1 1 1 209 1 1 15 GLY N N 0.440 -1.435 3.870 1.00 . A A . 15 GLY N 1 1 1 210 1 1 15 GLY O O 1.392 -4.419 5.655 1.00 . A A . 15 GLY O 1 1 1 211 1 1 16 HIS C C 4.535 -3.794 4.757 1.00 . A A . 16 HIS C 1 1 1 212 1 1 16 HIS CA C 3.429 -4.225 3.797 1.00 . A A . 16 HIS CA 1 1 1 213 1 1 16 HIS CB C 3.962 -4.233 2.366 1.00 . A A . 16 HIS CB 1 1 1 214 1 1 16 HIS CD2 C 5.961 -5.940 2.304 1.00 . A A . 16 HIS CD2 1 1 1 215 1 1 16 HIS CE1 C 4.916 -7.617 1.415 1.00 . A A . 16 HIS CE1 1 1 1 216 1 1 16 HIS CG C 4.667 -5.535 2.092 1.00 . A A . 16 HIS CG 1 1 1 217 1 1 16 HIS H H 2.195 -2.587 3.265 1.00 . A A . 16 HIS H 1 1 1 218 1 1 16 HIS HA H 3.119 -5.221 4.052 1.00 . A A . 16 HIS HA 1 1 1 219 1 1 16 HIS HB2 H 3.141 -4.115 1.675 1.00 . A A . 16 HIS HB2 1 1 1 220 1 1 16 HIS HB3 H 4.653 -3.421 2.243 1.00 . A A . 16 HIS HB3 1 1 1 221 1 1 16 HIS HD2 H 6.741 -5.330 2.737 1.00 . A A . 16 HIS HD2 1 1 1 222 1 1 16 HIS HE1 H 4.693 -8.591 1.006 1.00 . A A . 16 HIS HE1 1 1 1 223 1 1 16 HIS HE2 H 6.931 -7.799 1.907 1.00 . A A . 16 HIS HE2 1 1 1 224 1 1 16 HIS N N 2.281 -3.330 3.897 1.00 . A A . 16 HIS N 1 1 1 225 1 1 16 HIS ND1 N 4.019 -6.621 1.525 1.00 . A A . 16 HIS ND1 1 1 1 226 1 1 16 HIS NE2 N 6.116 -7.255 1.876 1.00 . A A . 16 HIS NE2 1 1 1 227 1 1 16 HIS O O 4.823 -4.483 5.736 1.00 . A A . 16 HIS O 1 1 1 228 1 1 17 LEU C C 5.736 -1.959 6.745 1.00 . A A . 17 LEU C 1 1 1 229 1 1 17 LEU CA C 6.218 -2.138 5.309 1.00 . A A . 17 LEU CA 1 1 1 230 1 1 17 LEU CB C 6.695 -0.798 4.752 1.00 . A A . 17 LEU CB 1 1 1 231 1 1 17 LEU CD1 C 5.694 1.191 5.909 1.00 . A A . 17 LEU CD1 1 1 1 232 1 1 17 LEU CD2 C 5.530 0.985 3.426 1.00 . A A . 17 LEU CD2 1 1 1 233 1 1 17 LEU CG C 5.536 0.208 4.746 1.00 . A A . 17 LEU CG 1 1 1 234 1 1 17 LEU H H 4.883 -2.142 3.681 1.00 . A A . 17 LEU H 1 1 1 235 1 1 17 LEU HA H 7.042 -2.835 5.297 1.00 . A A . 17 LEU HA 1 1 1 236 1 1 17 LEU HB2 H 7.487 -0.424 5.370 1.00 . A A . 17 LEU HB2 1 1 1 237 1 1 17 LEU HB3 H 7.057 -0.938 3.741 1.00 . A A . 17 LEU HB3 1 1 1 238 1 1 17 LEU HD11 H 4.788 1.768 6.018 1.00 . A A . 17 LEU HD11 1 1 1 239 1 1 17 LEU HD12 H 6.522 1.855 5.709 1.00 . A A . 17 LEU HD12 1 1 1 240 1 1 17 LEU HD13 H 5.884 0.644 6.821 1.00 . A A . 17 LEU HD13 1 1 1 241 1 1 17 LEU HD21 H 5.228 0.329 2.623 1.00 . A A . 17 LEU HD21 1 1 1 242 1 1 17 LEU HD22 H 6.522 1.364 3.227 1.00 . A A . 17 LEU HD22 1 1 1 243 1 1 17 LEU HD23 H 4.837 1.810 3.497 1.00 . A A . 17 LEU HD23 1 1 1 244 1 1 17 LEU HG H 4.606 -0.322 4.855 1.00 . A A . 17 LEU HG 1 1 1 245 1 1 17 LEU N N 5.150 -2.652 4.471 1.00 . A A . 17 LEU N 1 1 1 246 1 1 17 LEU O O 6.503 -2.127 7.693 1.00 . A A . 17 LEU O 1 1 1 247 1 1 18 ALA C C 4.188 -2.616 9.121 1.00 . A A . 18 ALA C 1 1 1 248 1 1 18 ALA CA C 3.887 -1.420 8.224 1.00 . A A . 18 ALA CA 1 1 1 249 1 1 18 ALA CB C 2.374 -1.228 8.116 1.00 . A A . 18 ALA CB 1 1 1 250 1 1 18 ALA H H 3.896 -1.498 6.107 1.00 . A A . 18 ALA H 1 1 1 251 1 1 18 ALA HA H 4.320 -0.534 8.665 1.00 . A A . 18 ALA HA 1 1 1 252 1 1 18 ALA HB1 H 2.158 -0.494 7.353 1.00 . A A . 18 ALA HB1 1 1 1 253 1 1 18 ALA HB2 H 1.985 -0.886 9.064 1.00 . A A . 18 ALA HB2 1 1 1 254 1 1 18 ALA HB3 H 1.909 -2.167 7.854 1.00 . A A . 18 ALA HB3 1 1 1 255 1 1 18 ALA N N 4.461 -1.618 6.898 1.00 . A A . 18 ALA N 1 1 1 256 1 1 18 ALA O O 4.490 -2.458 10.304 1.00 . A A . 18 ALA O 1 1 1 257 1 1 19 SER C C 5.826 -5.061 9.767 1.00 . A A . 19 SER C 1 1 1 258 1 1 19 SER CA C 4.371 -5.029 9.305 1.00 . A A . 19 SER CA 1 1 1 259 1 1 19 SER CB C 4.070 -6.254 8.436 1.00 . A A . 19 SER CB 1 1 1 260 1 1 19 SER H H 3.862 -3.880 7.604 1.00 . A A . 19 SER H 1 1 1 261 1 1 19 SER HA H 3.728 -5.049 10.170 1.00 . A A . 19 SER HA 1 1 1 262 1 1 19 SER HB2 H 4.081 -5.972 7.397 1.00 . A A . 19 SER HB2 1 1 1 263 1 1 19 SER HB3 H 4.820 -7.014 8.607 1.00 . A A . 19 SER HB3 1 1 1 264 1 1 19 SER HG H 2.752 -6.886 9.720 1.00 . A A . 19 SER HG 1 1 1 265 1 1 19 SER N N 4.105 -3.813 8.549 1.00 . A A . 19 SER N 1 1 1 266 1 1 19 SER O O 6.126 -5.511 10.872 1.00 . A A . 19 SER O 1 1 1 267 1 1 19 SER OG O 2.783 -6.758 8.769 1.00 . A A . 19 SER OG 1 1 1 268 1 1 20 LYS C C 8.399 -3.696 10.476 1.00 . A A . 20 LYS C 1 1 1 269 1 1 20 LYS CA C 8.144 -4.561 9.244 1.00 . A A . 20 LYS CA 1 1 1 270 1 1 20 LYS CB C 8.948 -4.022 8.062 1.00 . A A . 20 LYS CB 1 1 1 271 1 1 20 LYS CD C 10.565 -5.853 7.488 1.00 . A A . 20 LYS CD 1 1 1 272 1 1 20 LYS CE C 12.025 -6.300 7.573 1.00 . A A . 20 LYS CE 1 1 1 273 1 1 20 LYS CG C 10.408 -4.488 8.164 1.00 . A A . 20 LYS CG 1 1 1 274 1 1 20 LYS H H 6.428 -4.236 8.045 1.00 . A A . 20 LYS H 1 1 1 275 1 1 20 LYS HA H 8.468 -5.562 9.450 1.00 . A A . 20 LYS HA 1 1 1 276 1 1 20 LYS HB2 H 8.516 -4.380 7.139 1.00 . A A . 20 LYS HB2 1 1 1 277 1 1 20 LYS HB3 H 8.916 -2.950 8.079 1.00 . A A . 20 LYS HB3 1 1 1 278 1 1 20 LYS HD2 H 9.936 -6.577 7.985 1.00 . A A . 20 LYS HD2 1 1 1 279 1 1 20 LYS HD3 H 10.275 -5.776 6.451 1.00 . A A . 20 LYS HD3 1 1 1 280 1 1 20 LYS HE2 H 12.636 -5.656 6.957 1.00 . A A . 20 LYS HE2 1 1 1 281 1 1 20 LYS HE3 H 12.361 -6.241 8.598 1.00 . A A . 20 LYS HE3 1 1 1 282 1 1 20 LYS HG2 H 11.049 -3.769 7.674 1.00 . A A . 20 LYS HG2 1 1 1 283 1 1 20 LYS HG3 H 10.690 -4.569 9.204 1.00 . A A . 20 LYS HG3 1 1 1 284 1 1 20 LYS HZ1 H 13.120 -8.037 7.226 1.00 . A A . 20 LYS HZ1 1 1 1 285 1 1 20 LYS HZ2 H 11.898 -7.748 6.082 1.00 . A A . 20 LYS HZ2 1 1 1 286 1 1 20 LYS HZ3 H 11.497 -8.313 7.633 1.00 . A A . 20 LYS HZ3 1 1 1 287 1 1 20 LYS N N 6.725 -4.582 8.913 1.00 . A A . 20 LYS N 1 1 1 288 1 1 20 LYS NZ N 12.144 -7.706 7.093 1.00 . A A . 20 LYS NZ 1 1 1 289 1 1 20 LYS O O 9.373 -3.902 11.199 1.00 . A A . 20 LYS O 1 1 1 290 1 1 21 VAL C C 7.206 -2.531 13.133 1.00 . A A . 21 VAL C 1 1 1 291 1 1 21 VAL CA C 7.660 -1.837 11.852 1.00 . A A . 21 VAL CA 1 1 1 292 1 1 21 VAL CB C 6.831 -0.570 11.634 1.00 . A A . 21 VAL CB 1 1 1 293 1 1 21 VAL CG1 C 7.166 0.453 12.720 1.00 . A A . 21 VAL CG1 1 1 1 294 1 1 21 VAL CG2 C 7.157 0.020 10.261 1.00 . A A . 21 VAL CG2 1 1 1 295 1 1 21 VAL H H 6.762 -2.609 10.094 1.00 . A A . 21 VAL H 1 1 1 296 1 1 21 VAL HA H 8.698 -1.560 11.954 1.00 . A A . 21 VAL HA 1 1 1 297 1 1 21 VAL HB H 5.780 -0.816 11.683 1.00 . A A . 21 VAL HB 1 1 1 298 1 1 21 VAL HG11 H 8.235 0.602 12.758 1.00 . A A . 21 VAL HG11 1 1 1 299 1 1 21 VAL HG12 H 6.820 0.090 13.677 1.00 . A A . 21 VAL HG12 1 1 1 300 1 1 21 VAL HG13 H 6.680 1.391 12.494 1.00 . A A . 21 VAL HG13 1 1 1 301 1 1 21 VAL HG21 H 8.228 0.046 10.125 1.00 . A A . 21 VAL HG21 1 1 1 302 1 1 21 VAL HG22 H 6.762 1.024 10.198 1.00 . A A . 21 VAL HG22 1 1 1 303 1 1 21 VAL HG23 H 6.710 -0.591 9.491 1.00 . A A . 21 VAL HG23 1 1 1 304 1 1 21 VAL N N 7.519 -2.728 10.706 1.00 . A A . 21 VAL N 1 1 1 305 1 1 21 VAL O O 7.789 -2.332 14.198 1.00 . A A . 21 VAL O 1 1 1 306 1 1 22 MET C C 6.355 -5.394 14.359 1.00 . A A . 22 MET C 1 1 1 307 1 1 22 MET CA C 5.633 -4.062 14.178 1.00 . A A . 22 MET CA 1 1 1 308 1 1 22 MET CB C 4.135 -4.312 13.998 1.00 . A A . 22 MET CB 1 1 1 309 1 1 22 MET CE C 1.259 -3.664 12.255 1.00 . A A . 22 MET CE 1 1 1 310 1 1 22 MET CG C 3.423 -2.981 13.746 1.00 . A A . 22 MET CG 1 1 1 311 1 1 22 MET H H 5.734 -3.463 12.147 1.00 . A A . 22 MET H 1 1 1 312 1 1 22 MET HA H 5.782 -3.461 15.063 1.00 . A A . 22 MET HA 1 1 1 313 1 1 22 MET HB2 H 3.979 -4.971 13.154 1.00 . A A . 22 MET HB2 1 1 1 314 1 1 22 MET HB3 H 3.735 -4.768 14.895 1.00 . A A . 22 MET HB3 1 1 1 315 1 1 22 MET HE1 H 0.203 -3.878 12.168 1.00 . A A . 22 MET HE1 1 1 1 316 1 1 22 MET HE2 H 1.825 -4.540 11.983 1.00 . A A . 22 MET HE2 1 1 1 317 1 1 22 MET HE3 H 1.522 -2.848 11.595 1.00 . A A . 22 MET HE3 1 1 1 318 1 1 22 MET HG2 H 3.782 -2.241 14.450 1.00 . A A . 22 MET HG2 1 1 1 319 1 1 22 MET HG3 H 3.625 -2.651 12.735 1.00 . A A . 22 MET HG3 1 1 1 320 1 1 22 MET N N 6.160 -3.344 13.021 1.00 . A A . 22 MET N 1 1 1 321 1 1 22 MET O O 6.439 -5.919 15.469 1.00 . A A . 22 MET O 1 1 1 322 1 1 22 MET SD S 1.640 -3.202 13.963 1.00 . A A . 22 MET SD 1 1 1 323 1 1 23 ASN C C 8.936 -7.039 13.996 1.00 . A A . 23 ASN C 1 1 1 324 1 1 23 ASN CA C 7.584 -7.208 13.311 1.00 . A A . 23 ASN CA 1 1 1 325 1 1 23 ASN CB C 7.790 -7.747 11.895 1.00 . A A . 23 ASN CB 1 1 1 326 1 1 23 ASN CG C 6.443 -8.078 11.261 1.00 . A A . 23 ASN CG 1 1 1 327 1 1 23 ASN H H 6.774 -5.472 12.403 1.00 . A A . 23 ASN H 1 1 1 328 1 1 23 ASN HA H 6.993 -7.917 13.871 1.00 . A A . 23 ASN HA 1 1 1 329 1 1 23 ASN HB2 H 8.294 -7.001 11.297 1.00 . A A . 23 ASN HB2 1 1 1 330 1 1 23 ASN HB3 H 8.395 -8.641 11.936 1.00 . A A . 23 ASN HB3 1 1 1 331 1 1 23 ASN HD21 H 7.235 -9.126 9.772 1.00 . A A . 23 ASN HD21 1 1 1 332 1 1 23 ASN HD22 H 5.541 -9.017 9.762 1.00 . A A . 23 ASN HD22 1 1 1 333 1 1 23 ASN N N 6.872 -5.935 13.261 1.00 . A A . 23 ASN N 1 1 1 334 1 1 23 ASN ND2 N 6.403 -8.800 10.175 1.00 . A A . 23 ASN ND2 1 1 1 335 1 1 23 ASN O O 9.326 -7.864 14.822 1.00 . A A . 23 ASN O 1 1 1 336 1 1 23 ASN OD1 O 5.400 -7.668 11.769 1.00 . A A . 23 ASN OD1 1 1 1 337 1 1 24 NH2 HN1 H 9.365 -5.349 13.037 1.00 . A A . 24 NH2 HN1 1 1 1 338 1 1 24 NH2 HN2 H 10.558 -5.894 14.139 1.00 . A A . 24 NH2 HN2 1 1 1 339 1 1 24 NH2 N N 9.681 -6.009 13.700 1.00 . A A . 24 NH2 N 1 1 2 340 1 1 1 GLY C C -9.510 4.007 -13.213 1.00 . A A . 1 GLY C 1 1 2 341 1 1 1 GLY CA C -10.509 4.735 -14.106 1.00 . A A . 1 GLY CA 1 1 2 342 1 1 1 GLY H1 H -9.540 5.641 -15.711 1.00 . A A . 1 GLY H1 1 1 2 343 1 1 1 GLY H2 H -10.814 4.611 -16.161 1.00 . A A . 1 GLY H2 1 1 2 344 1 1 1 GLY H3 H -9.335 3.959 -15.640 1.00 . A A . 1 GLY H3 1 1 2 345 1 1 1 GLY HA2 H -10.623 5.757 -13.763 1.00 . A A . 1 GLY HA2 1 1 2 346 1 1 1 GLY HA3 H -11.463 4.228 -14.061 1.00 . A A . 1 GLY HA3 1 1 2 347 1 1 1 GLY N N -10.012 4.737 -15.511 1.00 . A A . 1 GLY N 1 1 2 348 1 1 1 GLY O O -9.692 3.928 -11.998 1.00 . A A . 1 GLY O 1 1 2 349 1 1 2 VAL C C -7.021 3.546 -11.834 1.00 . A A . 2 VAL C 1 1 2 350 1 1 2 VAL CA C -7.433 2.758 -13.074 1.00 . A A . 2 VAL CA 1 1 2 351 1 1 2 VAL CB C -6.209 2.517 -13.959 1.00 . A A . 2 VAL CB 1 1 2 352 1 1 2 VAL CG1 C -5.166 1.711 -13.183 1.00 . A A . 2 VAL CG1 1 1 2 353 1 1 2 VAL CG2 C -6.630 1.737 -15.207 1.00 . A A . 2 VAL CG2 1 1 2 354 1 1 2 VAL H H -8.363 3.572 -14.794 1.00 . A A . 2 VAL H 1 1 2 355 1 1 2 VAL HA H -7.832 1.802 -12.765 1.00 . A A . 2 VAL HA 1 1 2 356 1 1 2 VAL HB H -5.785 3.468 -14.251 1.00 . A A . 2 VAL HB 1 1 2 357 1 1 2 VAL HG11 H -4.743 2.327 -12.402 1.00 . A A . 2 VAL HG11 1 1 2 358 1 1 2 VAL HG12 H -4.383 1.394 -13.855 1.00 . A A . 2 VAL HG12 1 1 2 359 1 1 2 VAL HG13 H -5.636 0.844 -12.743 1.00 . A A . 2 VAL HG13 1 1 2 360 1 1 2 VAL HG21 H -7.225 2.373 -15.845 1.00 . A A . 2 VAL HG21 1 1 2 361 1 1 2 VAL HG22 H -7.211 0.875 -14.915 1.00 . A A . 2 VAL HG22 1 1 2 362 1 1 2 VAL HG23 H -5.749 1.414 -15.742 1.00 . A A . 2 VAL HG23 1 1 2 363 1 1 2 VAL N N -8.455 3.478 -13.824 1.00 . A A . 2 VAL N 1 1 2 364 1 1 2 VAL O O -6.450 2.991 -10.895 1.00 . A A . 2 VAL O 1 1 2 365 1 1 3 VAL C C -7.387 5.049 -9.395 1.00 . A A . 3 VAL C 1 1 2 366 1 1 3 VAL CA C -6.968 5.697 -10.711 1.00 . A A . 3 VAL CA 1 1 2 367 1 1 3 VAL CB C -7.652 7.051 -10.855 1.00 . A A . 3 VAL CB 1 1 2 368 1 1 3 VAL CG1 C -7.383 7.900 -9.611 1.00 . A A . 3 VAL CG1 1 1 2 369 1 1 3 VAL CG2 C -7.108 7.769 -12.091 1.00 . A A . 3 VAL CG2 1 1 2 370 1 1 3 VAL H H -7.769 5.230 -12.616 1.00 . A A . 3 VAL H 1 1 2 371 1 1 3 VAL HA H -5.908 5.853 -10.703 1.00 . A A . 3 VAL HA 1 1 2 372 1 1 3 VAL HB H -8.707 6.897 -10.963 1.00 . A A . 3 VAL HB 1 1 2 373 1 1 3 VAL HG11 H -6.335 7.837 -9.352 1.00 . A A . 3 VAL HG11 1 1 2 374 1 1 3 VAL HG12 H -7.979 7.533 -8.788 1.00 . A A . 3 VAL HG12 1 1 2 375 1 1 3 VAL HG13 H -7.643 8.929 -9.813 1.00 . A A . 3 VAL HG13 1 1 2 376 1 1 3 VAL HG21 H -6.062 7.999 -11.942 1.00 . A A . 3 VAL HG21 1 1 2 377 1 1 3 VAL HG22 H -7.659 8.685 -12.248 1.00 . A A . 3 VAL HG22 1 1 2 378 1 1 3 VAL HG23 H -7.216 7.131 -12.955 1.00 . A A . 3 VAL HG23 1 1 2 379 1 1 3 VAL N N -7.313 4.843 -11.840 1.00 . A A . 3 VAL N 1 1 2 380 1 1 3 VAL O O -6.762 5.270 -8.357 1.00 . A A . 3 VAL O 1 1 2 381 1 1 4 ASP C C -7.979 2.472 -7.821 1.00 . A A . 4 ASP C 1 1 2 382 1 1 4 ASP CA C -8.940 3.575 -8.251 1.00 . A A . 4 ASP CA 1 1 2 383 1 1 4 ASP CB C -10.320 2.972 -8.526 1.00 . A A . 4 ASP CB 1 1 2 384 1 1 4 ASP CG C -10.974 2.550 -7.215 1.00 . A A . 4 ASP CG 1 1 2 385 1 1 4 ASP H H -8.905 4.112 -10.301 1.00 . A A . 4 ASP H 1 1 2 386 1 1 4 ASP HA H -9.029 4.295 -7.452 1.00 . A A . 4 ASP HA 1 1 2 387 1 1 4 ASP HB2 H -10.942 3.711 -9.015 1.00 . A A . 4 ASP HB2 1 1 2 388 1 1 4 ASP HB3 H -10.212 2.107 -9.167 1.00 . A A . 4 ASP HB3 1 1 2 389 1 1 4 ASP N N -8.447 4.250 -9.447 1.00 . A A . 4 ASP N 1 1 2 390 1 1 4 ASP O O -7.559 2.416 -6.666 1.00 . A A . 4 ASP O 1 1 2 391 1 1 4 ASP OD1 O -11.208 3.415 -6.387 1.00 . A A . 4 ASP OD1 1 1 2 392 1 1 4 ASP OD2 O -11.229 1.367 -7.057 1.00 . A A . 4 ASP OD2 1 1 2 393 1 1 5 ILE C C -5.377 1.037 -7.980 1.00 . A A . 5 ILE C 1 1 2 394 1 1 5 ILE CA C -6.718 0.500 -8.467 1.00 . A A . 5 ILE CA 1 1 2 395 1 1 5 ILE CB C -6.506 -0.350 -9.722 1.00 . A A . 5 ILE CB 1 1 2 396 1 1 5 ILE CD1 C -7.659 -1.549 -11.588 1.00 . A A . 5 ILE CD1 1 1 2 397 1 1 5 ILE CG1 C -7.866 -0.722 -10.318 1.00 . A A . 5 ILE CG1 1 1 2 398 1 1 5 ILE CG2 C -5.747 -1.626 -9.352 1.00 . A A . 5 ILE CG2 1 1 2 399 1 1 5 ILE H H -7.998 1.693 -9.665 1.00 . A A . 5 ILE H 1 1 2 400 1 1 5 ILE HA H -7.151 -0.119 -7.696 1.00 . A A . 5 ILE HA 1 1 2 401 1 1 5 ILE HB H -5.935 0.213 -10.445 1.00 . A A . 5 ILE HB 1 1 2 402 1 1 5 ILE HD11 H -8.608 -1.686 -12.086 1.00 . A A . 5 ILE HD11 1 1 2 403 1 1 5 ILE HD12 H -7.248 -2.512 -11.327 1.00 . A A . 5 ILE HD12 1 1 2 404 1 1 5 ILE HD13 H -6.978 -1.032 -12.247 1.00 . A A . 5 ILE HD13 1 1 2 405 1 1 5 ILE HG12 H -8.428 -1.301 -9.597 1.00 . A A . 5 ILE HG12 1 1 2 406 1 1 5 ILE HG13 H -8.411 0.180 -10.562 1.00 . A A . 5 ILE HG13 1 1 2 407 1 1 5 ILE HG21 H -4.831 -1.364 -8.842 1.00 . A A . 5 ILE HG21 1 1 2 408 1 1 5 ILE HG22 H -5.512 -2.178 -10.250 1.00 . A A . 5 ILE HG22 1 1 2 409 1 1 5 ILE HG23 H -6.359 -2.234 -8.704 1.00 . A A . 5 ILE HG23 1 1 2 410 1 1 5 ILE N N -7.633 1.598 -8.760 1.00 . A A . 5 ILE N 1 1 2 411 1 1 5 ILE O O -4.795 0.511 -7.029 1.00 . A A . 5 ILE O 1 1 2 412 1 1 6 LEU C C -3.691 3.227 -6.828 1.00 . A A . 6 LEU C 1 1 2 413 1 1 6 LEU CA C -3.617 2.689 -8.256 1.00 . A A . 6 LEU CA 1 1 2 414 1 1 6 LEU CB C -3.274 3.828 -9.230 1.00 . A A . 6 LEU CB 1 1 2 415 1 1 6 LEU CD1 C -1.064 4.067 -8.062 1.00 . A A . 6 LEU CD1 1 1 2 416 1 1 6 LEU CD2 C -1.225 2.685 -10.150 1.00 . A A . 6 LEU CD2 1 1 2 417 1 1 6 LEU CG C -1.753 3.932 -9.423 1.00 . A A . 6 LEU CG 1 1 2 418 1 1 6 LEU H H -5.400 2.464 -9.381 1.00 . A A . 6 LEU H 1 1 2 419 1 1 6 LEU HA H -2.849 1.934 -8.306 1.00 . A A . 6 LEU HA 1 1 2 420 1 1 6 LEU HB2 H -3.744 3.633 -10.183 1.00 . A A . 6 LEU HB2 1 1 2 421 1 1 6 LEU HB3 H -3.648 4.761 -8.835 1.00 . A A . 6 LEU HB3 1 1 2 422 1 1 6 LEU HD11 H -1.645 4.716 -7.425 1.00 . A A . 6 LEU HD11 1 1 2 423 1 1 6 LEU HD12 H -0.078 4.488 -8.199 1.00 . A A . 6 LEU HD12 1 1 2 424 1 1 6 LEU HD13 H -0.977 3.094 -7.602 1.00 . A A . 6 LEU HD13 1 1 2 425 1 1 6 LEU HD21 H -0.413 2.969 -10.804 1.00 . A A . 6 LEU HD21 1 1 2 426 1 1 6 LEU HD22 H -2.016 2.241 -10.737 1.00 . A A . 6 LEU HD22 1 1 2 427 1 1 6 LEU HD23 H -0.868 1.965 -9.429 1.00 . A A . 6 LEU HD23 1 1 2 428 1 1 6 LEU HG H -1.534 4.810 -10.016 1.00 . A A . 6 LEU HG 1 1 2 429 1 1 6 LEU N N -4.891 2.087 -8.633 1.00 . A A . 6 LEU N 1 1 2 430 1 1 6 LEU O O -2.724 3.145 -6.072 1.00 . A A . 6 LEU O 1 1 2 431 1 1 7 LYS C C -4.885 3.213 -4.085 1.00 . A A . 7 LYS C 1 1 2 432 1 1 7 LYS CA C -5.041 4.313 -5.131 1.00 . A A . 7 LYS CA 1 1 2 433 1 1 7 LYS CB C -6.429 4.936 -5.038 1.00 . A A . 7 LYS CB 1 1 2 434 1 1 7 LYS CD C -6.370 5.515 -2.575 1.00 . A A . 7 LYS CD 1 1 2 435 1 1 7 LYS CE C -4.993 5.808 -1.969 1.00 . A A . 7 LYS CE 1 1 2 436 1 1 7 LYS CG C -6.445 6.078 -4.007 1.00 . A A . 7 LYS CG 1 1 2 437 1 1 7 LYS H H -5.588 3.804 -7.107 1.00 . A A . 7 LYS H 1 1 2 438 1 1 7 LYS HA H -4.313 5.072 -4.952 1.00 . A A . 7 LYS HA 1 1 2 439 1 1 7 LYS HB2 H -6.711 5.324 -6.006 1.00 . A A . 7 LYS HB2 1 1 2 440 1 1 7 LYS HB3 H -7.122 4.181 -4.746 1.00 . A A . 7 LYS HB3 1 1 2 441 1 1 7 LYS HD2 H -7.131 5.982 -1.966 1.00 . A A . 7 LYS HD2 1 1 2 442 1 1 7 LYS HD3 H -6.533 4.448 -2.589 1.00 . A A . 7 LYS HD3 1 1 2 443 1 1 7 LYS HE2 H -4.831 5.165 -1.117 1.00 . A A . 7 LYS HE2 1 1 2 444 1 1 7 LYS HE3 H -4.227 5.628 -2.707 1.00 . A A . 7 LYS HE3 1 1 2 445 1 1 7 LYS HG2 H -5.606 6.735 -4.186 1.00 . A A . 7 LYS HG2 1 1 2 446 1 1 7 LYS HG3 H -7.362 6.639 -4.120 1.00 . A A . 7 LYS HG3 1 1 2 447 1 1 7 LYS HZ1 H -5.767 7.740 -1.897 1.00 . A A . 7 LYS HZ1 1 1 2 448 1 1 7 LYS HZ2 H -4.070 7.673 -1.901 1.00 . A A . 7 LYS HZ2 1 1 2 449 1 1 7 LYS HZ3 H -4.936 7.277 -0.494 1.00 . A A . 7 LYS HZ3 1 1 2 450 1 1 7 LYS N N -4.847 3.771 -6.467 1.00 . A A . 7 LYS N 1 1 2 451 1 1 7 LYS NZ N -4.937 7.232 -1.532 1.00 . A A . 7 LYS NZ 1 1 2 452 1 1 7 LYS O O -4.110 3.346 -3.139 1.00 . A A . 7 LYS O 1 1 2 453 1 1 8 GLY C C -4.157 0.419 -3.284 1.00 . A A . 8 GLY C 1 1 2 454 1 1 8 GLY CA C -5.563 1.007 -3.334 1.00 . A A . 8 GLY CA 1 1 2 455 1 1 8 GLY H H -6.226 2.073 -5.039 1.00 . A A . 8 GLY H 1 1 2 456 1 1 8 GLY HA2 H -5.840 1.352 -2.346 1.00 . A A . 8 GLY HA2 1 1 2 457 1 1 8 GLY HA3 H -6.255 0.238 -3.652 1.00 . A A . 8 GLY HA3 1 1 2 458 1 1 8 GLY N N -5.627 2.125 -4.265 1.00 . A A . 8 GLY N 1 1 2 459 1 1 8 GLY O O -3.758 -0.178 -2.285 1.00 . A A . 8 GLY O 1 1 2 460 1 1 9 ALA C C -1.101 0.923 -3.601 1.00 . A A . 9 ALA C 1 1 2 461 1 1 9 ALA CA C -2.049 0.073 -4.442 1.00 . A A . 9 ALA CA 1 1 2 462 1 1 9 ALA CB C -1.571 0.058 -5.895 1.00 . A A . 9 ALA CB 1 1 2 463 1 1 9 ALA H H -3.782 1.075 -5.139 1.00 . A A . 9 ALA H 1 1 2 464 1 1 9 ALA HA H -2.040 -0.939 -4.064 1.00 . A A . 9 ALA HA 1 1 2 465 1 1 9 ALA HB1 H -1.768 1.018 -6.348 1.00 . A A . 9 ALA HB1 1 1 2 466 1 1 9 ALA HB2 H -2.098 -0.712 -6.439 1.00 . A A . 9 ALA HB2 1 1 2 467 1 1 9 ALA HB3 H -0.511 -0.142 -5.923 1.00 . A A . 9 ALA HB3 1 1 2 468 1 1 9 ALA N N -3.411 0.591 -4.371 1.00 . A A . 9 ALA N 1 1 2 469 1 1 9 ALA O O -0.110 0.424 -3.071 1.00 . A A . 9 ALA O 1 1 2 470 1 1 10 ALA C C -0.546 2.705 -1.240 1.00 . A A . 10 ALA C 1 1 2 471 1 1 10 ALA CA C -0.575 3.119 -2.708 1.00 . A A . 10 ALA CA 1 1 2 472 1 1 10 ALA CB C -1.110 4.548 -2.824 1.00 . A A . 10 ALA CB 1 1 2 473 1 1 10 ALA H H -2.214 2.555 -3.931 1.00 . A A . 10 ALA H 1 1 2 474 1 1 10 ALA HA H 0.430 3.092 -3.101 1.00 . A A . 10 ALA HA 1 1 2 475 1 1 10 ALA HB1 H -0.556 5.195 -2.161 1.00 . A A . 10 ALA HB1 1 1 2 476 1 1 10 ALA HB2 H -2.155 4.564 -2.553 1.00 . A A . 10 ALA HB2 1 1 2 477 1 1 10 ALA HB3 H -0.997 4.893 -3.842 1.00 . A A . 10 ALA HB3 1 1 2 478 1 1 10 ALA N N -1.411 2.210 -3.486 1.00 . A A . 10 ALA N 1 1 2 479 1 1 10 ALA O O 0.523 2.474 -0.673 1.00 . A A . 10 ALA O 1 1 2 480 1 1 11 LYS C C -1.058 0.932 1.033 1.00 . A A . 11 LYS C 1 1 2 481 1 1 11 LYS CA C -1.816 2.231 0.776 1.00 . A A . 11 LYS CA 1 1 2 482 1 1 11 LYS CB C -3.284 2.056 1.173 1.00 . A A . 11 LYS CB 1 1 2 483 1 1 11 LYS CD C -5.294 0.619 0.786 1.00 . A A . 11 LYS CD 1 1 2 484 1 1 11 LYS CE C -6.208 1.813 1.072 1.00 . A A . 11 LYS CE 1 1 2 485 1 1 11 LYS CG C -3.974 1.111 0.186 1.00 . A A . 11 LYS CG 1 1 2 486 1 1 11 LYS H H -2.541 2.812 -1.130 1.00 . A A . 11 LYS H 1 1 2 487 1 1 11 LYS HA H -1.383 3.013 1.380 1.00 . A A . 11 LYS HA 1 1 2 488 1 1 11 LYS HB2 H -3.338 1.642 2.170 1.00 . A A . 11 LYS HB2 1 1 2 489 1 1 11 LYS HB3 H -3.777 3.016 1.154 1.00 . A A . 11 LYS HB3 1 1 2 490 1 1 11 LYS HD2 H -5.779 -0.048 0.088 1.00 . A A . 11 LYS HD2 1 1 2 491 1 1 11 LYS HD3 H -5.095 0.091 1.708 1.00 . A A . 11 LYS HD3 1 1 2 492 1 1 11 LYS HE2 H -7.215 1.462 1.240 1.00 . A A . 11 LYS HE2 1 1 2 493 1 1 11 LYS HE3 H -5.857 2.333 1.951 1.00 . A A . 11 LYS HE3 1 1 2 494 1 1 11 LYS HG2 H -4.172 1.638 -0.739 1.00 . A A . 11 LYS HG2 1 1 2 495 1 1 11 LYS HG3 H -3.332 0.262 -0.009 1.00 . A A . 11 LYS HG3 1 1 2 496 1 1 11 LYS HZ1 H -6.822 3.548 0.097 1.00 . A A . 11 LYS HZ1 1 1 2 497 1 1 11 LYS HZ2 H -6.526 2.237 -0.942 1.00 . A A . 11 LYS HZ2 1 1 2 498 1 1 11 LYS HZ3 H -5.227 3.087 -0.252 1.00 . A A . 11 LYS HZ3 1 1 2 499 1 1 11 LYS N N -1.722 2.615 -0.629 1.00 . A A . 11 LYS N 1 1 2 500 1 1 11 LYS NZ N -6.195 2.741 -0.094 1.00 . A A . 11 LYS NZ 1 1 2 501 1 1 11 LYS O O -0.610 0.675 2.151 1.00 . A A . 11 LYS O 1 1 2 502 1 1 12 ASP C C 1.199 -0.938 0.648 1.00 . A A . 12 ASP C 1 1 2 503 1 1 12 ASP CA C -0.215 -1.156 0.122 1.00 . A A . 12 ASP CA 1 1 2 504 1 1 12 ASP CB C -0.155 -1.860 -1.236 1.00 . A A . 12 ASP CB 1 1 2 505 1 1 12 ASP CG C 0.141 -3.344 -1.042 1.00 . A A . 12 ASP CG 1 1 2 506 1 1 12 ASP H H -1.299 0.370 -0.873 1.00 . A A . 12 ASP H 1 1 2 507 1 1 12 ASP HA H -0.754 -1.785 0.817 1.00 . A A . 12 ASP HA 1 1 2 508 1 1 12 ASP HB2 H -1.108 -1.748 -1.740 1.00 . A A . 12 ASP HB2 1 1 2 509 1 1 12 ASP HB3 H 0.627 -1.415 -1.837 1.00 . A A . 12 ASP HB3 1 1 2 510 1 1 12 ASP N N -0.919 0.115 -0.006 1.00 . A A . 12 ASP N 1 1 2 511 1 1 12 ASP O O 1.570 -1.461 1.699 1.00 . A A . 12 ASP O 1 1 2 512 1 1 12 ASP OD1 O -0.079 -4.099 -1.975 1.00 . A A . 12 ASP OD1 1 1 2 513 1 1 12 ASP OD2 O 0.587 -3.703 0.036 1.00 . A A . 12 ASP OD2 1 1 2 514 1 1 13 ILE C C 3.404 0.660 1.735 1.00 . A A . 13 ILE C 1 1 2 515 1 1 13 ILE CA C 3.362 0.115 0.311 1.00 . A A . 13 ILE CA 1 1 2 516 1 1 13 ILE CB C 3.996 1.130 -0.646 1.00 . A A . 13 ILE CB 1 1 2 517 1 1 13 ILE CD1 C 2.782 1.250 -2.847 1.00 . A A . 13 ILE CD1 1 1 2 518 1 1 13 ILE CG1 C 3.940 0.592 -2.088 1.00 . A A . 13 ILE CG1 1 1 2 519 1 1 13 ILE CG2 C 5.455 1.360 -0.240 1.00 . A A . 13 ILE CG2 1 1 2 520 1 1 13 ILE H H 1.640 0.226 -0.920 1.00 . A A . 13 ILE H 1 1 2 521 1 1 13 ILE HA H 3.930 -0.802 0.271 1.00 . A A . 13 ILE HA 1 1 2 522 1 1 13 ILE HB H 3.458 2.065 -0.583 1.00 . A A . 13 ILE HB 1 1 2 523 1 1 13 ILE HD11 H 3.088 2.224 -3.196 1.00 . A A . 13 ILE HD11 1 1 2 524 1 1 13 ILE HD12 H 1.931 1.354 -2.191 1.00 . A A . 13 ILE HD12 1 1 2 525 1 1 13 ILE HD13 H 2.511 0.634 -3.692 1.00 . A A . 13 ILE HD13 1 1 2 526 1 1 13 ILE HG12 H 4.870 0.818 -2.595 1.00 . A A . 13 ILE HG12 1 1 2 527 1 1 13 ILE HG13 H 3.792 -0.479 -2.070 1.00 . A A . 13 ILE HG13 1 1 2 528 1 1 13 ILE HG21 H 5.961 0.409 -0.163 1.00 . A A . 13 ILE HG21 1 1 2 529 1 1 13 ILE HG22 H 5.489 1.863 0.714 1.00 . A A . 13 ILE HG22 1 1 2 530 1 1 13 ILE HG23 H 5.944 1.968 -0.985 1.00 . A A . 13 ILE HG23 1 1 2 531 1 1 13 ILE N N 1.987 -0.163 -0.090 1.00 . A A . 13 ILE N 1 1 2 532 1 1 13 ILE O O 4.253 0.267 2.535 1.00 . A A . 13 ILE O 1 1 2 533 1 1 14 ALA C C 2.084 1.096 4.419 1.00 . A A . 14 ALA C 1 1 2 534 1 1 14 ALA CA C 2.427 2.156 3.378 1.00 . A A . 14 ALA CA 1 1 2 535 1 1 14 ALA CB C 1.376 3.268 3.413 1.00 . A A . 14 ALA CB 1 1 2 536 1 1 14 ALA H H 1.831 1.842 1.368 1.00 . A A . 14 ALA H 1 1 2 537 1 1 14 ALA HA H 3.391 2.582 3.614 1.00 . A A . 14 ALA HA 1 1 2 538 1 1 14 ALA HB1 H 1.609 4.008 2.662 1.00 . A A . 14 ALA HB1 1 1 2 539 1 1 14 ALA HB2 H 1.376 3.732 4.389 1.00 . A A . 14 ALA HB2 1 1 2 540 1 1 14 ALA HB3 H 0.400 2.847 3.214 1.00 . A A . 14 ALA HB3 1 1 2 541 1 1 14 ALA N N 2.483 1.566 2.046 1.00 . A A . 14 ALA N 1 1 2 542 1 1 14 ALA O O 2.550 1.155 5.557 1.00 . A A . 14 ALA O 1 1 2 543 1 1 15 GLY C C 1.856 -2.108 4.867 1.00 . A A . 15 GLY C 1 1 2 544 1 1 15 GLY CA C 0.868 -0.947 4.927 1.00 . A A . 15 GLY CA 1 1 2 545 1 1 15 GLY H H 0.930 0.129 3.101 1.00 . A A . 15 GLY H 1 1 2 546 1 1 15 GLY HA2 H 0.831 -0.563 5.939 1.00 . A A . 15 GLY HA2 1 1 2 547 1 1 15 GLY HA3 H -0.112 -1.305 4.642 1.00 . A A . 15 GLY HA3 1 1 2 548 1 1 15 GLY N N 1.269 0.125 4.020 1.00 . A A . 15 GLY N 1 1 2 549 1 1 15 GLY O O 1.761 -3.056 5.647 1.00 . A A . 15 GLY O 1 1 2 550 1 1 16 HIS C C 4.889 -2.945 4.854 1.00 . A A . 16 HIS C 1 1 2 551 1 1 16 HIS CA C 3.805 -3.076 3.788 1.00 . A A . 16 HIS CA 1 1 2 552 1 1 16 HIS CB C 4.433 -2.999 2.401 1.00 . A A . 16 HIS CB 1 1 2 553 1 1 16 HIS CD2 C 6.933 -3.812 2.469 1.00 . A A . 16 HIS CD2 1 1 2 554 1 1 16 HIS CE1 C 6.598 -5.900 1.998 1.00 . A A . 16 HIS CE1 1 1 2 555 1 1 16 HIS CG C 5.578 -3.970 2.306 1.00 . A A . 16 HIS CG 1 1 2 556 1 1 16 HIS H H 2.831 -1.247 3.346 1.00 . A A . 16 HIS H 1 1 2 557 1 1 16 HIS HA H 3.327 -4.030 3.892 1.00 . A A . 16 HIS HA 1 1 2 558 1 1 16 HIS HB2 H 3.691 -3.241 1.654 1.00 . A A . 16 HIS HB2 1 1 2 559 1 1 16 HIS HB3 H 4.793 -2.003 2.237 1.00 . A A . 16 HIS HB3 1 1 2 560 1 1 16 HIS HD2 H 7.425 -2.881 2.712 1.00 . A A . 16 HIS HD2 1 1 2 561 1 1 16 HIS HE1 H 6.760 -6.947 1.792 1.00 . A A . 16 HIS HE1 1 1 2 562 1 1 16 HIS HE2 H 8.536 -5.212 2.327 1.00 . A A . 16 HIS HE2 1 1 2 563 1 1 16 HIS N N 2.804 -2.026 3.939 1.00 . A A . 16 HIS N 1 1 2 564 1 1 16 HIS ND1 N 5.388 -5.311 2.006 1.00 . A A . 16 HIS ND1 1 1 2 565 1 1 16 HIS NE2 N 7.574 -5.031 2.273 1.00 . A A . 16 HIS NE2 1 1 2 566 1 1 16 HIS O O 4.999 -3.784 5.747 1.00 . A A . 16 HIS O 1 1 2 567 1 1 17 LEU C C 6.217 -1.647 7.130 1.00 . A A . 17 LEU C 1 1 2 568 1 1 17 LEU CA C 6.756 -1.653 5.703 1.00 . A A . 17 LEU CA 1 1 2 569 1 1 17 LEU CB C 7.418 -0.309 5.394 1.00 . A A . 17 LEU CB 1 1 2 570 1 1 17 LEU CD1 C 6.608 1.571 6.847 1.00 . A A . 17 LEU CD1 1 1 2 571 1 1 17 LEU CD2 C 6.545 1.803 4.361 1.00 . A A . 17 LEU CD2 1 1 2 572 1 1 17 LEU CG C 6.390 0.823 5.528 1.00 . A A . 17 LEU CG 1 1 2 573 1 1 17 LEU H H 5.556 -1.251 4.020 1.00 . A A . 17 LEU H 1 1 2 574 1 1 17 LEU HA H 7.494 -2.435 5.607 1.00 . A A . 17 LEU HA 1 1 2 575 1 1 17 LEU HB2 H 8.219 -0.148 6.088 1.00 . A A . 17 LEU HB2 1 1 2 576 1 1 17 LEU HB3 H 7.807 -0.327 4.384 1.00 . A A . 17 LEU HB3 1 1 2 577 1 1 17 LEU HD11 H 6.514 0.881 7.672 1.00 . A A . 17 LEU HD11 1 1 2 578 1 1 17 LEU HD12 H 5.869 2.352 6.943 1.00 . A A . 17 LEU HD12 1 1 2 579 1 1 17 LEU HD13 H 7.596 2.007 6.853 1.00 . A A . 17 LEU HD13 1 1 2 580 1 1 17 LEU HD21 H 5.868 2.633 4.496 1.00 . A A . 17 LEU HD21 1 1 2 581 1 1 17 LEU HD22 H 6.315 1.298 3.434 1.00 . A A . 17 LEU HD22 1 1 2 582 1 1 17 LEU HD23 H 7.561 2.168 4.330 1.00 . A A . 17 LEU HD23 1 1 2 583 1 1 17 LEU HG H 5.399 0.405 5.518 1.00 . A A . 17 LEU HG 1 1 2 584 1 1 17 LEU N N 5.686 -1.887 4.750 1.00 . A A . 17 LEU N 1 1 2 585 1 1 17 LEU O O 6.904 -2.056 8.065 1.00 . A A . 17 LEU O 1 1 2 586 1 1 18 ALA C C 4.290 -2.517 9.225 1.00 . A A . 18 ALA C 1 1 2 587 1 1 18 ALA CA C 4.362 -1.124 8.607 1.00 . A A . 18 ALA CA 1 1 2 588 1 1 18 ALA CB C 2.953 -0.540 8.496 1.00 . A A . 18 ALA CB 1 1 2 589 1 1 18 ALA H H 4.482 -0.866 6.507 1.00 . A A . 18 ALA H 1 1 2 590 1 1 18 ALA HA H 4.953 -0.487 9.246 1.00 . A A . 18 ALA HA 1 1 2 591 1 1 18 ALA HB1 H 2.333 -1.202 7.911 1.00 . A A . 18 ALA HB1 1 1 2 592 1 1 18 ALA HB2 H 3.001 0.426 8.015 1.00 . A A . 18 ALA HB2 1 1 2 593 1 1 18 ALA HB3 H 2.530 -0.430 9.484 1.00 . A A . 18 ALA HB3 1 1 2 594 1 1 18 ALA N N 4.983 -1.179 7.289 1.00 . A A . 18 ALA N 1 1 2 595 1 1 18 ALA O O 4.712 -2.724 10.362 1.00 . A A . 18 ALA O 1 1 2 596 1 1 19 SER C C 5.003 -5.436 9.226 1.00 . A A . 19 SER C 1 1 2 597 1 1 19 SER CA C 3.626 -4.836 8.951 1.00 . A A . 19 SER CA 1 1 2 598 1 1 19 SER CB C 2.884 -5.682 7.913 1.00 . A A . 19 SER CB 1 1 2 599 1 1 19 SER H H 3.430 -3.245 7.570 1.00 . A A . 19 SER H 1 1 2 600 1 1 19 SER HA H 3.056 -4.832 9.866 1.00 . A A . 19 SER HA 1 1 2 601 1 1 19 SER HB2 H 2.946 -5.207 6.947 1.00 . A A . 19 SER HB2 1 1 2 602 1 1 19 SER HB3 H 3.332 -6.665 7.856 1.00 . A A . 19 SER HB3 1 1 2 603 1 1 19 SER HG H 1.287 -5.014 8.802 1.00 . A A . 19 SER HG 1 1 2 604 1 1 19 SER N N 3.751 -3.468 8.468 1.00 . A A . 19 SER N 1 1 2 605 1 1 19 SER O O 5.166 -6.242 10.142 1.00 . A A . 19 SER O 1 1 2 606 1 1 19 SER OG O 1.518 -5.793 8.289 1.00 . A A . 19 SER OG 1 1 2 607 1 1 20 LYS C C 7.877 -5.210 9.987 1.00 . A A . 20 LYS C 1 1 2 608 1 1 20 LYS CA C 7.345 -5.547 8.597 1.00 . A A . 20 LYS CA 1 1 2 609 1 1 20 LYS CB C 8.264 -4.945 7.534 1.00 . A A . 20 LYS CB 1 1 2 610 1 1 20 LYS CD C 9.223 -6.921 6.320 1.00 . A A . 20 LYS CD 1 1 2 611 1 1 20 LYS CE C 10.466 -7.794 6.143 1.00 . A A . 20 LYS CE 1 1 2 612 1 1 20 LYS CG C 9.507 -5.829 7.356 1.00 . A A . 20 LYS CG 1 1 2 613 1 1 20 LYS H H 5.801 -4.395 7.714 1.00 . A A . 20 LYS H 1 1 2 614 1 1 20 LYS HA H 7.336 -6.611 8.477 1.00 . A A . 20 LYS HA 1 1 2 615 1 1 20 LYS HB2 H 7.731 -4.873 6.597 1.00 . A A . 20 LYS HB2 1 1 2 616 1 1 20 LYS HB3 H 8.567 -3.967 7.849 1.00 . A A . 20 LYS HB3 1 1 2 617 1 1 20 LYS HD2 H 8.398 -7.532 6.656 1.00 . A A . 20 LYS HD2 1 1 2 618 1 1 20 LYS HD3 H 8.969 -6.464 5.375 1.00 . A A . 20 LYS HD3 1 1 2 619 1 1 20 LYS HE2 H 11.277 -7.192 5.760 1.00 . A A . 20 LYS HE2 1 1 2 620 1 1 20 LYS HE3 H 10.750 -8.214 7.096 1.00 . A A . 20 LYS HE3 1 1 2 621 1 1 20 LYS HG2 H 10.333 -5.220 7.016 1.00 . A A . 20 LYS HG2 1 1 2 622 1 1 20 LYS HG3 H 9.765 -6.288 8.298 1.00 . A A . 20 LYS HG3 1 1 2 623 1 1 20 LYS HZ1 H 11.058 -9.329 4.866 1.00 . A A . 20 LYS HZ1 1 1 2 624 1 1 20 LYS HZ2 H 9.656 -8.511 4.363 1.00 . A A . 20 LYS HZ2 1 1 2 625 1 1 20 LYS HZ3 H 9.583 -9.615 5.653 1.00 . A A . 20 LYS HZ3 1 1 2 626 1 1 20 LYS N N 5.989 -5.039 8.428 1.00 . A A . 20 LYS N 1 1 2 627 1 1 20 LYS NZ N 10.169 -8.895 5.183 1.00 . A A . 20 LYS NZ 1 1 2 628 1 1 20 LYS O O 8.622 -5.988 10.582 1.00 . A A . 20 LYS O 1 1 2 629 1 1 21 VAL C C 7.153 -4.350 12.909 1.00 . A A . 21 VAL C 1 1 2 630 1 1 21 VAL CA C 7.931 -3.619 11.820 1.00 . A A . 21 VAL CA 1 1 2 631 1 1 21 VAL CB C 7.735 -2.110 11.974 1.00 . A A . 21 VAL CB 1 1 2 632 1 1 21 VAL CG1 C 8.131 -1.685 13.390 1.00 . A A . 21 VAL CG1 1 1 2 633 1 1 21 VAL CG2 C 8.614 -1.376 10.959 1.00 . A A . 21 VAL CG2 1 1 2 634 1 1 21 VAL H H 6.892 -3.466 9.979 1.00 . A A . 21 VAL H 1 1 2 635 1 1 21 VAL HA H 8.981 -3.846 11.927 1.00 . A A . 21 VAL HA 1 1 2 636 1 1 21 VAL HB H 6.698 -1.862 11.802 1.00 . A A . 21 VAL HB 1 1 2 637 1 1 21 VAL HG11 H 8.235 -0.611 13.428 1.00 . A A . 21 VAL HG11 1 1 2 638 1 1 21 VAL HG12 H 9.070 -2.147 13.655 1.00 . A A . 21 VAL HG12 1 1 2 639 1 1 21 VAL HG13 H 7.367 -1.999 14.087 1.00 . A A . 21 VAL HG13 1 1 2 640 1 1 21 VAL HG21 H 9.626 -1.746 11.026 1.00 . A A . 21 VAL HG21 1 1 2 641 1 1 21 VAL HG22 H 8.603 -0.318 11.172 1.00 . A A . 21 VAL HG22 1 1 2 642 1 1 21 VAL HG23 H 8.233 -1.547 9.964 1.00 . A A . 21 VAL HG23 1 1 2 643 1 1 21 VAL N N 7.487 -4.046 10.498 1.00 . A A . 21 VAL N 1 1 2 644 1 1 21 VAL O O 7.702 -4.690 13.957 1.00 . A A . 21 VAL O 1 1 2 645 1 1 22 MET C C 5.421 -6.752 13.717 1.00 . A A . 22 MET C 1 1 2 646 1 1 22 MET CA C 5.026 -5.283 13.619 1.00 . A A . 22 MET CA 1 1 2 647 1 1 22 MET CB C 3.558 -5.173 13.202 1.00 . A A . 22 MET CB 1 1 2 648 1 1 22 MET CE C 1.245 -2.006 12.264 1.00 . A A . 22 MET CE 1 1 2 649 1 1 22 MET CG C 3.127 -3.706 13.232 1.00 . A A . 22 MET CG 1 1 2 650 1 1 22 MET H H 5.487 -4.296 11.800 1.00 . A A . 22 MET H 1 1 2 651 1 1 22 MET HA H 5.149 -4.822 14.587 1.00 . A A . 22 MET HA 1 1 2 652 1 1 22 MET HB2 H 3.438 -5.565 12.200 1.00 . A A . 22 MET HB2 1 1 2 653 1 1 22 MET HB3 H 2.945 -5.741 13.891 1.00 . A A . 22 MET HB3 1 1 2 654 1 1 22 MET HE1 H 1.453 -2.144 11.213 1.00 . A A . 22 MET HE1 1 1 2 655 1 1 22 MET HE2 H 1.976 -1.338 12.689 1.00 . A A . 22 MET HE2 1 1 2 656 1 1 22 MET HE3 H 0.257 -1.583 12.390 1.00 . A A . 22 MET HE3 1 1 2 657 1 1 22 MET HG2 H 3.448 -3.256 14.163 1.00 . A A . 22 MET HG2 1 1 2 658 1 1 22 MET HG3 H 3.576 -3.182 12.399 1.00 . A A . 22 MET HG3 1 1 2 659 1 1 22 MET N N 5.871 -4.590 12.653 1.00 . A A . 22 MET N 1 1 2 660 1 1 22 MET O O 5.857 -7.219 14.769 1.00 . A A . 22 MET O 1 1 2 661 1 1 22 MET SD S 1.324 -3.606 13.107 1.00 . A A . 22 MET SD 1 1 2 662 1 1 23 ASN C C 7.004 -9.116 13.165 1.00 . A A . 23 ASN C 1 1 2 663 1 1 23 ASN CA C 5.610 -8.893 12.587 1.00 . A A . 23 ASN CA 1 1 2 664 1 1 23 ASN CB C 5.561 -9.416 11.149 1.00 . A A . 23 ASN CB 1 1 2 665 1 1 23 ASN CG C 4.350 -8.837 10.425 1.00 . A A . 23 ASN CG 1 1 2 666 1 1 23 ASN H H 4.913 -7.051 11.804 1.00 . A A . 23 ASN H 1 1 2 667 1 1 23 ASN HA H 4.893 -9.440 13.181 1.00 . A A . 23 ASN HA 1 1 2 668 1 1 23 ASN HB2 H 6.462 -9.124 10.630 1.00 . A A . 23 ASN HB2 1 1 2 669 1 1 23 ASN HB3 H 5.488 -10.493 11.162 1.00 . A A . 23 ASN HB3 1 1 2 670 1 1 23 ASN HD21 H 3.354 -8.442 12.097 1.00 . A A . 23 ASN HD21 1 1 2 671 1 1 23 ASN HD22 H 2.553 -8.025 10.660 1.00 . A A . 23 ASN HD22 1 1 2 672 1 1 23 ASN N N 5.266 -7.476 12.613 1.00 . A A . 23 ASN N 1 1 2 673 1 1 23 ASN ND2 N 3.335 -8.398 11.118 1.00 . A A . 23 ASN ND2 1 1 2 674 1 1 23 ASN O O 7.273 -10.158 13.763 1.00 . A A . 23 ASN O 1 1 2 675 1 1 23 ASN OD1 O 4.329 -8.782 9.196 1.00 . A A . 23 ASN OD1 1 1 2 676 1 1 24 NH2 HN1 H 7.695 -7.357 12.541 1.00 . A A . 24 NH2 HN1 1 1 2 677 1 1 24 NH2 HN2 H 8.818 -8.329 13.392 1.00 . A A . 24 NH2 HN2 1 1 2 678 1 1 24 NH2 N N 7.914 -8.192 13.021 1.00 . A A . 24 NH2 N 1 1 3 679 1 1 1 GLY C C -9.819 3.707 -13.421 1.00 . A A . 1 GLY C 1 1 3 680 1 1 1 GLY CA C -10.827 4.538 -14.206 1.00 . A A . 1 GLY CA 1 1 3 681 1 1 1 GLY H1 H -11.099 4.430 -16.268 1.00 . A A . 1 GLY H1 1 1 3 682 1 1 1 GLY H2 H -9.507 4.114 -15.760 1.00 . A A . 1 GLY H2 1 1 3 683 1 1 1 GLY H3 H -10.099 5.707 -15.768 1.00 . A A . 1 GLY H3 1 1 3 684 1 1 1 GLY HA2 H -10.936 5.510 -13.740 1.00 . A A . 1 GLY HA2 1 1 3 685 1 1 1 GLY HA3 H -11.782 4.028 -14.212 1.00 . A A . 1 GLY HA3 1 1 3 686 1 1 1 GLY N N -10.347 4.710 -15.606 1.00 . A A . 1 GLY N 1 1 3 687 1 1 1 GLY O O -10.116 3.217 -12.331 1.00 . A A . 1 GLY O 1 1 3 688 1 1 2 VAL C C -6.922 3.592 -12.216 1.00 . A A . 2 VAL C 1 1 3 689 1 1 2 VAL CA C -7.576 2.777 -13.327 1.00 . A A . 2 VAL CA 1 1 3 690 1 1 2 VAL CB C -6.519 2.362 -14.353 1.00 . A A . 2 VAL CB 1 1 3 691 1 1 2 VAL CG1 C -5.643 1.252 -13.767 1.00 . A A . 2 VAL CG1 1 1 3 692 1 1 2 VAL CG2 C -7.213 1.848 -15.616 1.00 . A A . 2 VAL CG2 1 1 3 693 1 1 2 VAL H H -8.444 3.965 -14.853 1.00 . A A . 2 VAL H 1 1 3 694 1 1 2 VAL HA H -8.015 1.888 -12.899 1.00 . A A . 2 VAL HA 1 1 3 695 1 1 2 VAL HB H -5.903 3.214 -14.600 1.00 . A A . 2 VAL HB 1 1 3 696 1 1 2 VAL HG11 H -6.268 0.431 -13.450 1.00 . A A . 2 VAL HG11 1 1 3 697 1 1 2 VAL HG12 H -5.095 1.637 -12.919 1.00 . A A . 2 VAL HG12 1 1 3 698 1 1 2 VAL HG13 H -4.948 0.909 -14.519 1.00 . A A . 2 VAL HG13 1 1 3 699 1 1 2 VAL HG21 H -7.650 2.678 -16.151 1.00 . A A . 2 VAL HG21 1 1 3 700 1 1 2 VAL HG22 H -7.989 1.149 -15.341 1.00 . A A . 2 VAL HG22 1 1 3 701 1 1 2 VAL HG23 H -6.491 1.353 -16.248 1.00 . A A . 2 VAL HG23 1 1 3 702 1 1 2 VAL N N -8.625 3.551 -13.983 1.00 . A A . 2 VAL N 1 1 3 703 1 1 2 VAL O O -6.184 3.055 -11.391 1.00 . A A . 2 VAL O 1 1 3 704 1 1 3 VAL C C -7.026 5.306 -9.790 1.00 . A A . 3 VAL C 1 1 3 705 1 1 3 VAL CA C -6.634 5.773 -11.188 1.00 . A A . 3 VAL CA 1 1 3 706 1 1 3 VAL CB C -7.124 7.201 -11.410 1.00 . A A . 3 VAL CB 1 1 3 707 1 1 3 VAL CG1 C -6.184 8.185 -10.709 1.00 . A A . 3 VAL CG1 1 1 3 708 1 1 3 VAL CG2 C -7.156 7.503 -12.909 1.00 . A A . 3 VAL CG2 1 1 3 709 1 1 3 VAL H H -7.795 5.264 -12.885 1.00 . A A . 3 VAL H 1 1 3 710 1 1 3 VAL HA H -5.565 5.763 -11.272 1.00 . A A . 3 VAL HA 1 1 3 711 1 1 3 VAL HB H -8.112 7.298 -11.000 1.00 . A A . 3 VAL HB 1 1 3 712 1 1 3 VAL HG11 H -6.530 9.195 -10.877 1.00 . A A . 3 VAL HG11 1 1 3 713 1 1 3 VAL HG12 H -5.186 8.075 -11.108 1.00 . A A . 3 VAL HG12 1 1 3 714 1 1 3 VAL HG13 H -6.174 7.981 -9.648 1.00 . A A . 3 VAL HG13 1 1 3 715 1 1 3 VAL HG21 H -6.241 7.156 -13.365 1.00 . A A . 3 VAL HG21 1 1 3 716 1 1 3 VAL HG22 H -7.252 8.568 -13.060 1.00 . A A . 3 VAL HG22 1 1 3 717 1 1 3 VAL HG23 H -7.998 6.999 -13.360 1.00 . A A . 3 VAL HG23 1 1 3 718 1 1 3 VAL N N -7.200 4.892 -12.203 1.00 . A A . 3 VAL N 1 1 3 719 1 1 3 VAL O O -6.185 5.223 -8.894 1.00 . A A . 3 VAL O 1 1 3 720 1 1 4 ASP C C -8.055 3.295 -7.868 1.00 . A A . 4 ASP C 1 1 3 721 1 1 4 ASP CA C -8.802 4.548 -8.317 1.00 . A A . 4 ASP CA 1 1 3 722 1 1 4 ASP CB C -10.300 4.247 -8.409 1.00 . A A . 4 ASP CB 1 1 3 723 1 1 4 ASP CG C -10.890 4.118 -7.009 1.00 . A A . 4 ASP CG 1 1 3 724 1 1 4 ASP H H -8.931 5.091 -10.360 1.00 . A A . 4 ASP H 1 1 3 725 1 1 4 ASP HA H -8.647 5.328 -7.588 1.00 . A A . 4 ASP HA 1 1 3 726 1 1 4 ASP HB2 H -10.794 5.054 -8.934 1.00 . A A . 4 ASP HB2 1 1 3 727 1 1 4 ASP HB3 H -10.446 3.320 -8.947 1.00 . A A . 4 ASP HB3 1 1 3 728 1 1 4 ASP N N -8.307 5.005 -9.611 1.00 . A A . 4 ASP N 1 1 3 729 1 1 4 ASP O O -7.617 3.200 -6.721 1.00 . A A . 4 ASP O 1 1 3 730 1 1 4 ASP OD1 O -11.037 5.136 -6.353 1.00 . A A . 4 ASP OD1 1 1 3 731 1 1 4 ASP OD2 O -11.190 3.004 -6.615 1.00 . A A . 4 ASP OD2 1 1 3 732 1 1 5 ILE C C -5.774 1.376 -8.059 1.00 . A A . 5 ILE C 1 1 3 733 1 1 5 ILE CA C -7.218 1.095 -8.463 1.00 . A A . 5 ILE CA 1 1 3 734 1 1 5 ILE CB C -7.237 0.163 -9.678 1.00 . A A . 5 ILE CB 1 1 3 735 1 1 5 ILE CD1 C -8.712 -0.885 -11.401 1.00 . A A . 5 ILE CD1 1 1 3 736 1 1 5 ILE CG1 C -8.686 -0.138 -10.066 1.00 . A A . 5 ILE CG1 1 1 3 737 1 1 5 ILE CG2 C -6.521 -1.145 -9.331 1.00 . A A . 5 ILE CG2 1 1 3 738 1 1 5 ILE H H -8.284 2.468 -9.676 1.00 . A A . 5 ILE H 1 1 3 739 1 1 5 ILE HA H -7.723 0.608 -7.643 1.00 . A A . 5 ILE HA 1 1 3 740 1 1 5 ILE HB H -6.732 0.640 -10.504 1.00 . A A . 5 ILE HB 1 1 3 741 1 1 5 ILE HD11 H -8.283 -1.868 -11.273 1.00 . A A . 5 ILE HD11 1 1 3 742 1 1 5 ILE HD12 H -8.138 -0.335 -12.132 1.00 . A A . 5 ILE HD12 1 1 3 743 1 1 5 ILE HD13 H -9.733 -0.979 -11.741 1.00 . A A . 5 ILE HD13 1 1 3 744 1 1 5 ILE HG12 H -9.144 -0.751 -9.301 1.00 . A A . 5 ILE HG12 1 1 3 745 1 1 5 ILE HG13 H -9.233 0.789 -10.164 1.00 . A A . 5 ILE HG13 1 1 3 746 1 1 5 ILE HG21 H -6.640 -1.846 -10.144 1.00 . A A . 5 ILE HG21 1 1 3 747 1 1 5 ILE HG22 H -6.949 -1.561 -8.432 1.00 . A A . 5 ILE HG22 1 1 3 748 1 1 5 ILE HG23 H -5.471 -0.951 -9.174 1.00 . A A . 5 ILE HG23 1 1 3 749 1 1 5 ILE N N -7.914 2.337 -8.778 1.00 . A A . 5 ILE N 1 1 3 750 1 1 5 ILE O O -5.290 0.861 -7.051 1.00 . A A . 5 ILE O 1 1 3 751 1 1 6 LEU C C -3.587 3.207 -7.203 1.00 . A A . 6 LEU C 1 1 3 752 1 1 6 LEU CA C -3.702 2.536 -8.571 1.00 . A A . 6 LEU CA 1 1 3 753 1 1 6 LEU CB C -3.167 3.476 -9.663 1.00 . A A . 6 LEU CB 1 1 3 754 1 1 6 LEU CD1 C -0.905 3.333 -8.581 1.00 . A A . 6 LEU CD1 1 1 3 755 1 1 6 LEU CD2 C -1.458 1.830 -10.513 1.00 . A A . 6 LEU CD2 1 1 3 756 1 1 6 LEU CG C -1.669 3.226 -9.904 1.00 . A A . 6 LEU CG 1 1 3 757 1 1 6 LEU H H -5.529 2.574 -9.643 1.00 . A A . 6 LEU H 1 1 3 758 1 1 6 LEU HA H -3.117 1.631 -8.564 1.00 . A A . 6 LEU HA 1 1 3 759 1 1 6 LEU HB2 H -3.710 3.302 -10.580 1.00 . A A . 6 LEU HB2 1 1 3 760 1 1 6 LEU HB3 H -3.310 4.503 -9.356 1.00 . A A . 6 LEU HB3 1 1 3 761 1 1 6 LEU HD11 H -1.302 4.151 -7.999 1.00 . A A . 6 LEU HD11 1 1 3 762 1 1 6 LEU HD12 H 0.142 3.512 -8.785 1.00 . A A . 6 LEU HD12 1 1 3 763 1 1 6 LEU HD13 H -1.008 2.411 -8.027 1.00 . A A . 6 LEU HD13 1 1 3 764 1 1 6 LEU HD21 H -0.640 1.867 -11.217 1.00 . A A . 6 LEU HD21 1 1 3 765 1 1 6 LEU HD22 H -2.356 1.514 -11.025 1.00 . A A . 6 LEU HD22 1 1 3 766 1 1 6 LEU HD23 H -1.224 1.122 -9.731 1.00 . A A . 6 LEU HD23 1 1 3 767 1 1 6 LEU HG H -1.294 3.973 -10.589 1.00 . A A . 6 LEU HG 1 1 3 768 1 1 6 LEU N N -5.092 2.194 -8.853 1.00 . A A . 6 LEU N 1 1 3 769 1 1 6 LEU O O -2.636 2.965 -6.461 1.00 . A A . 6 LEU O 1 1 3 770 1 1 7 LYS C C -4.773 3.746 -4.458 1.00 . A A . 7 LYS C 1 1 3 771 1 1 7 LYS CA C -4.563 4.739 -5.598 1.00 . A A . 7 LYS CA 1 1 3 772 1 1 7 LYS CB C -5.667 5.790 -5.593 1.00 . A A . 7 LYS CB 1 1 3 773 1 1 7 LYS CD C -5.333 6.589 -3.214 1.00 . A A . 7 LYS CD 1 1 3 774 1 1 7 LYS CE C -3.914 6.519 -2.637 1.00 . A A . 7 LYS CE 1 1 3 775 1 1 7 LYS CG C -5.280 6.984 -4.703 1.00 . A A . 7 LYS CG 1 1 3 776 1 1 7 LYS H H -5.302 4.199 -7.502 1.00 . A A . 7 LYS H 1 1 3 777 1 1 7 LYS HA H -3.624 5.228 -5.466 1.00 . A A . 7 LYS HA 1 1 3 778 1 1 7 LYS HB2 H -5.835 6.136 -6.603 1.00 . A A . 7 LYS HB2 1 1 3 779 1 1 7 LYS HB3 H -6.561 5.343 -5.222 1.00 . A A . 7 LYS HB3 1 1 3 780 1 1 7 LYS HD2 H -5.900 7.329 -2.669 1.00 . A A . 7 LYS HD2 1 1 3 781 1 1 7 LYS HD3 H -5.809 5.627 -3.106 1.00 . A A . 7 LYS HD3 1 1 3 782 1 1 7 LYS HE2 H -3.928 5.954 -1.717 1.00 . A A . 7 LYS HE2 1 1 3 783 1 1 7 LYS HE3 H -3.258 6.034 -3.345 1.00 . A A . 7 LYS HE3 1 1 3 784 1 1 7 LYS HG2 H -4.283 7.313 -4.959 1.00 . A A . 7 LYS HG2 1 1 3 785 1 1 7 LYS HG3 H -5.974 7.793 -4.881 1.00 . A A . 7 LYS HG3 1 1 3 786 1 1 7 LYS HZ1 H -3.428 8.450 -3.246 1.00 . A A . 7 LYS HZ1 1 1 3 787 1 1 7 LYS HZ2 H -2.449 7.851 -1.994 1.00 . A A . 7 LYS HZ2 1 1 3 788 1 1 7 LYS HZ3 H -4.038 8.356 -1.667 1.00 . A A . 7 LYS HZ3 1 1 3 789 1 1 7 LYS N N -4.564 4.046 -6.876 1.00 . A A . 7 LYS N 1 1 3 790 1 1 7 LYS NZ N -3.420 7.898 -2.366 1.00 . A A . 7 LYS NZ 1 1 3 791 1 1 7 LYS O O -4.207 3.898 -3.376 1.00 . A A . 7 LYS O 1 1 3 792 1 1 8 GLY C C -4.626 0.875 -3.425 1.00 . A A . 8 GLY C 1 1 3 793 1 1 8 GLY CA C -5.866 1.716 -3.706 1.00 . A A . 8 GLY CA 1 1 3 794 1 1 8 GLY H H -6.011 2.658 -5.592 1.00 . A A . 8 GLY H 1 1 3 795 1 1 8 GLY HA2 H -6.182 2.202 -2.792 1.00 . A A . 8 GLY HA2 1 1 3 796 1 1 8 GLY HA3 H -6.657 1.068 -4.060 1.00 . A A . 8 GLY HA3 1 1 3 797 1 1 8 GLY N N -5.589 2.729 -4.713 1.00 . A A . 8 GLY N 1 1 3 798 1 1 8 GLY O O -4.472 0.321 -2.338 1.00 . A A . 8 GLY O 1 1 3 799 1 1 9 ALA C C -1.517 0.750 -3.373 1.00 . A A . 9 ALA C 1 1 3 800 1 1 9 ALA CA C -2.515 0.011 -4.260 1.00 . A A . 9 ALA CA 1 1 3 801 1 1 9 ALA CB C -1.888 -0.249 -5.631 1.00 . A A . 9 ALA CB 1 1 3 802 1 1 9 ALA H H -3.915 1.250 -5.259 1.00 . A A . 9 ALA H 1 1 3 803 1 1 9 ALA HA H -2.756 -0.938 -3.803 1.00 . A A . 9 ALA HA 1 1 3 804 1 1 9 ALA HB1 H -1.431 0.659 -5.996 1.00 . A A . 9 ALA HB1 1 1 3 805 1 1 9 ALA HB2 H -2.654 -0.569 -6.322 1.00 . A A . 9 ALA HB2 1 1 3 806 1 1 9 ALA HB3 H -1.137 -1.020 -5.544 1.00 . A A . 9 ALA HB3 1 1 3 807 1 1 9 ALA N N -3.741 0.787 -4.413 1.00 . A A . 9 ALA N 1 1 3 808 1 1 9 ALA O O -0.708 0.130 -2.683 1.00 . A A . 9 ALA O 1 1 3 809 1 1 10 ALA C C -0.700 2.469 -1.137 1.00 . A A . 10 ALA C 1 1 3 810 1 1 10 ALA CA C -0.670 2.893 -2.603 1.00 . A A . 10 ALA CA 1 1 3 811 1 1 10 ALA CB C -1.061 4.368 -2.716 1.00 . A A . 10 ALA CB 1 1 3 812 1 1 10 ALA H H -2.239 2.515 -3.975 1.00 . A A . 10 ALA H 1 1 3 813 1 1 10 ALA HA H 0.334 2.771 -2.980 1.00 . A A . 10 ALA HA 1 1 3 814 1 1 10 ALA HB1 H -1.919 4.562 -2.090 1.00 . A A . 10 ALA HB1 1 1 3 815 1 1 10 ALA HB2 H -1.306 4.597 -3.743 1.00 . A A . 10 ALA HB2 1 1 3 816 1 1 10 ALA HB3 H -0.235 4.985 -2.396 1.00 . A A . 10 ALA HB3 1 1 3 817 1 1 10 ALA N N -1.577 2.076 -3.402 1.00 . A A . 10 ALA N 1 1 3 818 1 1 10 ALA O O 0.267 2.676 -0.403 1.00 . A A . 10 ALA O 1 1 3 819 1 1 11 LYS C C -1.101 0.196 0.931 1.00 . A A . 11 LYS C 1 1 3 820 1 1 11 LYS CA C -1.949 1.440 0.673 1.00 . A A . 11 LYS CA 1 1 3 821 1 1 11 LYS CB C -3.419 1.145 0.991 1.00 . A A . 11 LYS CB 1 1 3 822 1 1 11 LYS CD C -5.317 -0.345 0.324 1.00 . A A . 11 LYS CD 1 1 3 823 1 1 11 LYS CE C -5.983 -0.184 1.690 1.00 . A A . 11 LYS CE 1 1 3 824 1 1 11 LYS CG C -3.796 -0.250 0.482 1.00 . A A . 11 LYS CG 1 1 3 825 1 1 11 LYS H H -2.556 1.742 -1.338 1.00 . A A . 11 LYS H 1 1 3 826 1 1 11 LYS HA H -1.607 2.232 1.322 1.00 . A A . 11 LYS HA 1 1 3 827 1 1 11 LYS HB2 H -3.570 1.190 2.060 1.00 . A A . 11 LYS HB2 1 1 3 828 1 1 11 LYS HB3 H -4.044 1.884 0.510 1.00 . A A . 11 LYS HB3 1 1 3 829 1 1 11 LYS HD2 H -5.660 0.435 -0.339 1.00 . A A . 11 LYS HD2 1 1 3 830 1 1 11 LYS HD3 H -5.576 -1.309 -0.089 1.00 . A A . 11 LYS HD3 1 1 3 831 1 1 11 LYS HE2 H -5.508 -0.842 2.403 1.00 . A A . 11 LYS HE2 1 1 3 832 1 1 11 LYS HE3 H -5.883 0.839 2.021 1.00 . A A . 11 LYS HE3 1 1 3 833 1 1 11 LYS HG2 H -3.323 -0.425 -0.476 1.00 . A A . 11 LYS HG2 1 1 3 834 1 1 11 LYS HG3 H -3.464 -0.994 1.193 1.00 . A A . 11 LYS HG3 1 1 3 835 1 1 11 LYS HZ1 H -8.004 0.274 1.899 1.00 . A A . 11 LYS HZ1 1 1 3 836 1 1 11 LYS HZ2 H -7.633 -1.361 2.176 1.00 . A A . 11 LYS HZ2 1 1 3 837 1 1 11 LYS HZ3 H -7.659 -0.749 0.591 1.00 . A A . 11 LYS HZ3 1 1 3 838 1 1 11 LYS N N -1.814 1.880 -0.712 1.00 . A A . 11 LYS N 1 1 3 839 1 1 11 LYS NZ N -7.429 -0.531 1.581 1.00 . A A . 11 LYS NZ 1 1 3 840 1 1 11 LYS O O -0.605 -0.008 2.039 1.00 . A A . 11 LYS O 1 1 3 841 1 1 12 ASP C C 1.274 -1.521 0.471 1.00 . A A . 12 ASP C 1 1 3 842 1 1 12 ASP CA C -0.151 -1.851 0.037 1.00 . A A . 12 ASP CA 1 1 3 843 1 1 12 ASP CB C -0.118 -2.603 -1.295 1.00 . A A . 12 ASP CB 1 1 3 844 1 1 12 ASP CG C 0.398 -4.022 -1.078 1.00 . A A . 12 ASP CG 1 1 3 845 1 1 12 ASP H H -1.359 -0.420 -0.957 1.00 . A A . 12 ASP H 1 1 3 846 1 1 12 ASP HA H -0.607 -2.484 0.784 1.00 . A A . 12 ASP HA 1 1 3 847 1 1 12 ASP HB2 H -1.118 -2.643 -1.708 1.00 . A A . 12 ASP HB2 1 1 3 848 1 1 12 ASP HB3 H 0.539 -2.085 -1.982 1.00 . A A . 12 ASP HB3 1 1 3 849 1 1 12 ASP N N -0.940 -0.632 -0.096 1.00 . A A . 12 ASP N 1 1 3 850 1 1 12 ASP O O 1.730 -1.962 1.525 1.00 . A A . 12 ASP O 1 1 3 851 1 1 12 ASP OD1 O 0.190 -4.847 -1.952 1.00 . A A . 12 ASP OD1 1 1 3 852 1 1 12 ASP OD2 O 0.993 -4.262 -0.040 1.00 . A A . 12 ASP OD2 1 1 3 853 1 1 13 ILE C C 3.408 0.340 1.317 1.00 . A A . 13 ILE C 1 1 3 854 1 1 13 ILE CA C 3.342 -0.356 -0.038 1.00 . A A . 13 ILE CA 1 1 3 855 1 1 13 ILE CB C 3.886 0.582 -1.122 1.00 . A A . 13 ILE CB 1 1 3 856 1 1 13 ILE CD1 C 2.237 0.751 -3.017 1.00 . A A . 13 ILE CD1 1 1 3 857 1 1 13 ILE CG1 C 3.502 0.047 -2.515 1.00 . A A . 13 ILE CG1 1 1 3 858 1 1 13 ILE CG2 C 5.411 0.660 -1.005 1.00 . A A . 13 ILE CG2 1 1 3 859 1 1 13 ILE H H 1.554 -0.418 -1.175 1.00 . A A . 13 ILE H 1 1 3 860 1 1 13 ILE HA H 3.955 -1.244 -0.006 1.00 . A A . 13 ILE HA 1 1 3 861 1 1 13 ILE HB H 3.468 1.569 -0.983 1.00 . A A . 13 ILE HB 1 1 3 862 1 1 13 ILE HD11 H 1.730 0.116 -3.728 1.00 . A A . 13 ILE HD11 1 1 3 863 1 1 13 ILE HD12 H 2.508 1.680 -3.497 1.00 . A A . 13 ILE HD12 1 1 3 864 1 1 13 ILE HD13 H 1.579 0.956 -2.186 1.00 . A A . 13 ILE HD13 1 1 3 865 1 1 13 ILE HG12 H 4.311 0.234 -3.208 1.00 . A A . 13 ILE HG12 1 1 3 866 1 1 13 ILE HG13 H 3.318 -1.017 -2.457 1.00 . A A . 13 ILE HG13 1 1 3 867 1 1 13 ILE HG21 H 5.802 1.274 -1.803 1.00 . A A . 13 ILE HG21 1 1 3 868 1 1 13 ILE HG22 H 5.829 -0.333 -1.078 1.00 . A A . 13 ILE HG22 1 1 3 869 1 1 13 ILE HG23 H 5.676 1.094 -0.053 1.00 . A A . 13 ILE HG23 1 1 3 870 1 1 13 ILE N N 1.970 -0.740 -0.348 1.00 . A A . 13 ILE N 1 1 3 871 1 1 13 ILE O O 4.372 0.174 2.065 1.00 . A A . 13 ILE O 1 1 3 872 1 1 14 ALA C C 2.025 0.881 4.044 1.00 . A A . 14 ALA C 1 1 3 873 1 1 14 ALA CA C 2.328 1.838 2.895 1.00 . A A . 14 ALA CA 1 1 3 874 1 1 14 ALA CB C 1.253 2.924 2.837 1.00 . A A . 14 ALA CB 1 1 3 875 1 1 14 ALA H H 1.638 1.214 0.991 1.00 . A A . 14 ALA H 1 1 3 876 1 1 14 ALA HA H 3.285 2.305 3.071 1.00 . A A . 14 ALA HA 1 1 3 877 1 1 14 ALA HB1 H 1.256 3.483 3.761 1.00 . A A . 14 ALA HB1 1 1 3 878 1 1 14 ALA HB2 H 0.284 2.466 2.697 1.00 . A A . 14 ALA HB2 1 1 3 879 1 1 14 ALA HB3 H 1.458 3.591 2.013 1.00 . A A . 14 ALA HB3 1 1 3 880 1 1 14 ALA N N 2.378 1.120 1.627 1.00 . A A . 14 ALA N 1 1 3 881 1 1 14 ALA O O 2.520 1.055 5.156 1.00 . A A . 14 ALA O 1 1 3 882 1 1 15 GLY C C 1.867 -2.227 4.861 1.00 . A A . 15 GLY C 1 1 3 883 1 1 15 GLY CA C 0.836 -1.106 4.785 1.00 . A A . 15 GLY CA 1 1 3 884 1 1 15 GLY H H 0.837 -0.214 2.862 1.00 . A A . 15 GLY H 1 1 3 885 1 1 15 GLY HA2 H 0.777 -0.613 5.747 1.00 . A A . 15 GLY HA2 1 1 3 886 1 1 15 GLY HA3 H -0.128 -1.530 4.539 1.00 . A A . 15 GLY HA3 1 1 3 887 1 1 15 GLY N N 1.203 -0.127 3.767 1.00 . A A . 15 GLY N 1 1 3 888 1 1 15 GLY O O 1.729 -3.156 5.658 1.00 . A A . 15 GLY O 1 1 3 889 1 1 16 HIS C C 4.941 -2.918 5.143 1.00 . A A . 16 HIS C 1 1 3 890 1 1 16 HIS CA C 3.945 -3.153 4.011 1.00 . A A . 16 HIS CA 1 1 3 891 1 1 16 HIS CB C 4.674 -3.131 2.669 1.00 . A A . 16 HIS CB 1 1 3 892 1 1 16 HIS CD2 C 5.282 -5.284 1.287 1.00 . A A . 16 HIS CD2 1 1 3 893 1 1 16 HIS CE1 C 6.419 -6.325 2.810 1.00 . A A . 16 HIS CE1 1 1 3 894 1 1 16 HIS CG C 5.285 -4.480 2.400 1.00 . A A . 16 HIS CG 1 1 3 895 1 1 16 HIS H H 2.956 -1.376 3.413 1.00 . A A . 16 HIS H 1 1 3 896 1 1 16 HIS HA H 3.496 -4.119 4.141 1.00 . A A . 16 HIS HA 1 1 3 897 1 1 16 HIS HB2 H 3.974 -2.889 1.883 1.00 . A A . 16 HIS HB2 1 1 3 898 1 1 16 HIS HB3 H 5.447 -2.388 2.702 1.00 . A A . 16 HIS HB3 1 1 3 899 1 1 16 HIS HD2 H 4.797 -5.048 0.351 1.00 . A A . 16 HIS HD2 1 1 3 900 1 1 16 HIS HE1 H 7.010 -7.066 3.327 1.00 . A A . 16 HIS HE1 1 1 3 901 1 1 16 HIS HE2 H 6.159 -7.197 0.937 1.00 . A A . 16 HIS HE2 1 1 3 902 1 1 16 HIS N N 2.898 -2.138 4.028 1.00 . A A . 16 HIS N 1 1 3 903 1 1 16 HIS ND1 N 6.016 -5.164 3.359 1.00 . A A . 16 HIS ND1 1 1 3 904 1 1 16 HIS NE2 N 5.999 -6.448 1.548 1.00 . A A . 16 HIS NE2 1 1 3 905 1 1 16 HIS O O 5.179 -3.801 5.966 1.00 . A A . 16 HIS O 1 1 3 906 1 1 17 LEU C C 5.857 -1.487 7.590 1.00 . A A . 17 LEU C 1 1 3 907 1 1 17 LEU CA C 6.484 -1.377 6.204 1.00 . A A . 17 LEU CA 1 1 3 908 1 1 17 LEU CB C 6.980 0.050 5.972 1.00 . A A . 17 LEU CB 1 1 3 909 1 1 17 LEU CD1 C 5.776 1.768 7.349 1.00 . A A . 17 LEU CD1 1 1 3 910 1 1 17 LEU CD2 C 5.935 2.047 4.871 1.00 . A A . 17 LEU CD2 1 1 3 911 1 1 17 LEU CG C 5.798 1.028 6.008 1.00 . A A . 17 LEU CG 1 1 3 912 1 1 17 LEU H H 5.294 -1.055 4.497 1.00 . A A . 17 LEU H 1 1 3 913 1 1 17 LEU HA H 7.323 -2.053 6.141 1.00 . A A . 17 LEU HA 1 1 3 914 1 1 17 LEU HB2 H 7.678 0.307 6.745 1.00 . A A . 17 LEU HB2 1 1 3 915 1 1 17 LEU HB3 H 7.468 0.107 5.007 1.00 . A A . 17 LEU HB3 1 1 3 916 1 1 17 LEU HD11 H 6.591 2.475 7.383 1.00 . A A . 17 LEU HD11 1 1 3 917 1 1 17 LEU HD12 H 5.882 1.057 8.154 1.00 . A A . 17 LEU HD12 1 1 3 918 1 1 17 LEU HD13 H 4.838 2.294 7.453 1.00 . A A . 17 LEU HD13 1 1 3 919 1 1 17 LEU HD21 H 6.907 2.515 4.922 1.00 . A A . 17 LEU HD21 1 1 3 920 1 1 17 LEU HD22 H 5.168 2.801 4.969 1.00 . A A . 17 LEU HD22 1 1 3 921 1 1 17 LEU HD23 H 5.827 1.544 3.921 1.00 . A A . 17 LEU HD23 1 1 3 922 1 1 17 LEU HG H 4.880 0.480 5.890 1.00 . A A . 17 LEU HG 1 1 3 923 1 1 17 LEU N N 5.520 -1.721 5.176 1.00 . A A . 17 LEU N 1 1 3 924 1 1 17 LEU O O 6.515 -1.890 8.549 1.00 . A A . 17 LEU O 1 1 3 925 1 1 18 ALA C C 3.864 -2.620 9.495 1.00 . A A . 18 ALA C 1 1 3 926 1 1 18 ALA CA C 3.876 -1.191 8.962 1.00 . A A . 18 ALA CA 1 1 3 927 1 1 18 ALA CB C 2.439 -0.694 8.790 1.00 . A A . 18 ALA CB 1 1 3 928 1 1 18 ALA H H 4.107 -0.815 6.890 1.00 . A A . 18 ALA H 1 1 3 929 1 1 18 ALA HA H 4.381 -0.556 9.674 1.00 . A A . 18 ALA HA 1 1 3 930 1 1 18 ALA HB1 H 1.853 -1.454 8.296 1.00 . A A . 18 ALA HB1 1 1 3 931 1 1 18 ALA HB2 H 2.438 0.206 8.195 1.00 . A A . 18 ALA HB2 1 1 3 932 1 1 18 ALA HB3 H 2.013 -0.485 9.760 1.00 . A A . 18 ALA HB3 1 1 3 933 1 1 18 ALA N N 4.581 -1.127 7.688 1.00 . A A . 18 ALA N 1 1 3 934 1 1 18 ALA O O 4.069 -2.851 10.687 1.00 . A A . 18 ALA O 1 1 3 935 1 1 19 SER C C 4.950 -5.430 9.496 1.00 . A A . 19 SER C 1 1 3 936 1 1 19 SER CA C 3.582 -4.978 8.992 1.00 . A A . 19 SER CA 1 1 3 937 1 1 19 SER CB C 3.157 -5.833 7.795 1.00 . A A . 19 SER CB 1 1 3 938 1 1 19 SER H H 3.462 -3.333 7.669 1.00 . A A . 19 SER H 1 1 3 939 1 1 19 SER HA H 2.858 -5.102 9.783 1.00 . A A . 19 SER HA 1 1 3 940 1 1 19 SER HB2 H 3.331 -5.288 6.882 1.00 . A A . 19 SER HB2 1 1 3 941 1 1 19 SER HB3 H 3.734 -6.748 7.779 1.00 . A A . 19 SER HB3 1 1 3 942 1 1 19 SER HG H 1.422 -6.234 7.013 1.00 . A A . 19 SER HG 1 1 3 943 1 1 19 SER N N 3.619 -3.575 8.604 1.00 . A A . 19 SER N 1 1 3 944 1 1 19 SER O O 5.047 -6.258 10.402 1.00 . A A . 19 SER O 1 1 3 945 1 1 19 SER OG O 1.772 -6.134 7.901 1.00 . A A . 19 SER OG 1 1 3 946 1 1 20 LYS C C 7.624 -4.851 10.746 1.00 . A A . 20 LYS C 1 1 3 947 1 1 20 LYS CA C 7.361 -5.237 9.292 1.00 . A A . 20 LYS CA 1 1 3 948 1 1 20 LYS CB C 8.366 -4.531 8.384 1.00 . A A . 20 LYS CB 1 1 3 949 1 1 20 LYS CD C 9.705 -6.374 7.329 1.00 . A A . 20 LYS CD 1 1 3 950 1 1 20 LYS CE C 10.824 -7.376 7.618 1.00 . A A . 20 LYS CE 1 1 3 951 1 1 20 LYS CG C 9.705 -5.281 8.403 1.00 . A A . 20 LYS CG 1 1 3 952 1 1 20 LYS H H 5.865 -4.230 8.182 1.00 . A A . 20 LYS H 1 1 3 953 1 1 20 LYS HA H 7.489 -6.296 9.186 1.00 . A A . 20 LYS HA 1 1 3 954 1 1 20 LYS HB2 H 7.980 -4.501 7.375 1.00 . A A . 20 LYS HB2 1 1 3 955 1 1 20 LYS HB3 H 8.514 -3.531 8.739 1.00 . A A . 20 LYS HB3 1 1 3 956 1 1 20 LYS HD2 H 8.753 -6.885 7.335 1.00 . A A . 20 LYS HD2 1 1 3 957 1 1 20 LYS HD3 H 9.867 -5.926 6.360 1.00 . A A . 20 LYS HD3 1 1 3 958 1 1 20 LYS HE2 H 10.581 -7.940 8.506 1.00 . A A . 20 LYS HE2 1 1 3 959 1 1 20 LYS HE3 H 10.929 -8.050 6.781 1.00 . A A . 20 LYS HE3 1 1 3 960 1 1 20 LYS HG2 H 10.509 -4.586 8.206 1.00 . A A . 20 LYS HG2 1 1 3 961 1 1 20 LYS HG3 H 9.853 -5.733 9.373 1.00 . A A . 20 LYS HG3 1 1 3 962 1 1 20 LYS HZ1 H 12.265 -6.512 8.848 1.00 . A A . 20 LYS HZ1 1 1 3 963 1 1 20 LYS HZ2 H 12.052 -5.714 7.363 1.00 . A A . 20 LYS HZ2 1 1 3 964 1 1 20 LYS HZ3 H 12.889 -7.192 7.425 1.00 . A A . 20 LYS HZ3 1 1 3 965 1 1 20 LYS N N 6.004 -4.882 8.900 1.00 . A A . 20 LYS N 1 1 3 966 1 1 20 LYS NZ N 12.104 -6.643 7.830 1.00 . A A . 20 LYS NZ 1 1 3 967 1 1 20 LYS O O 8.127 -5.655 11.530 1.00 . A A . 20 LYS O 1 1 3 968 1 1 21 VAL C C 6.984 -4.157 13.471 1.00 . A A . 21 VAL C 1 1 3 969 1 1 21 VAL CA C 7.487 -3.134 12.457 1.00 . A A . 21 VAL CA 1 1 3 970 1 1 21 VAL CB C 6.749 -1.810 12.658 1.00 . A A . 21 VAL CB 1 1 3 971 1 1 21 VAL CG1 C 6.902 -1.354 14.109 1.00 . A A . 21 VAL CG1 1 1 3 972 1 1 21 VAL CG2 C 7.343 -0.751 11.726 1.00 . A A . 21 VAL CG2 1 1 3 973 1 1 21 VAL H H 6.886 -3.018 10.428 1.00 . A A . 21 VAL H 1 1 3 974 1 1 21 VAL HA H 8.542 -2.972 12.617 1.00 . A A . 21 VAL HA 1 1 3 975 1 1 21 VAL HB H 5.701 -1.944 12.432 1.00 . A A . 21 VAL HB 1 1 3 976 1 1 21 VAL HG11 H 6.298 -1.980 14.750 1.00 . A A . 21 VAL HG11 1 1 3 977 1 1 21 VAL HG12 H 6.579 -0.327 14.201 1.00 . A A . 21 VAL HG12 1 1 3 978 1 1 21 VAL HG13 H 7.938 -1.432 14.404 1.00 . A A . 21 VAL HG13 1 1 3 979 1 1 21 VAL HG21 H 6.682 0.103 11.684 1.00 . A A . 21 VAL HG21 1 1 3 980 1 1 21 VAL HG22 H 7.459 -1.166 10.736 1.00 . A A . 21 VAL HG22 1 1 3 981 1 1 21 VAL HG23 H 8.307 -0.440 12.103 1.00 . A A . 21 VAL HG23 1 1 3 982 1 1 21 VAL N N 7.282 -3.616 11.096 1.00 . A A . 21 VAL N 1 1 3 983 1 1 21 VAL O O 7.471 -4.216 14.601 1.00 . A A . 21 VAL O 1 1 3 984 1 1 22 MET C C 6.357 -7.196 14.005 1.00 . A A . 22 MET C 1 1 3 985 1 1 22 MET CA C 5.445 -5.975 13.942 1.00 . A A . 22 MET CA 1 1 3 986 1 1 22 MET CB C 4.062 -6.393 13.438 1.00 . A A . 22 MET CB 1 1 3 987 1 1 22 MET CE C 0.738 -4.201 13.897 1.00 . A A . 22 MET CE 1 1 3 988 1 1 22 MET CG C 3.198 -5.147 13.234 1.00 . A A . 22 MET CG 1 1 3 989 1 1 22 MET H H 5.659 -4.864 12.149 1.00 . A A . 22 MET H 1 1 3 990 1 1 22 MET HA H 5.343 -5.562 14.933 1.00 . A A . 22 MET HA 1 1 3 991 1 1 22 MET HB2 H 4.166 -6.920 12.498 1.00 . A A . 22 MET HB2 1 1 3 992 1 1 22 MET HB3 H 3.593 -7.038 14.168 1.00 . A A . 22 MET HB3 1 1 3 993 1 1 22 MET HE1 H 1.036 -4.196 14.935 1.00 . A A . 22 MET HE1 1 1 3 994 1 1 22 MET HE2 H -0.337 -4.252 13.833 1.00 . A A . 22 MET HE2 1 1 3 995 1 1 22 MET HE3 H 1.083 -3.297 13.413 1.00 . A A . 22 MET HE3 1 1 3 996 1 1 22 MET HG2 H 3.308 -4.489 14.086 1.00 . A A . 22 MET HG2 1 1 3 997 1 1 22 MET HG3 H 3.514 -4.634 12.334 1.00 . A A . 22 MET HG3 1 1 3 998 1 1 22 MET N N 6.008 -4.958 13.060 1.00 . A A . 22 MET N 1 1 3 999 1 1 22 MET O O 6.806 -7.591 15.081 1.00 . A A . 22 MET O 1 1 3 1000 1 1 22 MET SD S 1.463 -5.639 13.069 1.00 . A A . 22 MET SD 1 1 3 1001 1 1 23 ASN C C 8.923 -8.596 13.136 1.00 . A A . 23 ASN C 1 1 3 1002 1 1 23 ASN CA C 7.485 -8.965 12.785 1.00 . A A . 23 ASN CA 1 1 3 1003 1 1 23 ASN CB C 7.440 -9.573 11.382 1.00 . A A . 23 ASN CB 1 1 3 1004 1 1 23 ASN CG C 6.052 -10.139 11.104 1.00 . A A . 23 ASN CG 1 1 3 1005 1 1 23 ASN H H 6.239 -7.431 12.021 1.00 . A A . 23 ASN H 1 1 3 1006 1 1 23 ASN HA H 7.129 -9.698 13.494 1.00 . A A . 23 ASN HA 1 1 3 1007 1 1 23 ASN HB2 H 7.668 -8.808 10.653 1.00 . A A . 23 ASN HB2 1 1 3 1008 1 1 23 ASN HB3 H 8.170 -10.365 11.310 1.00 . A A . 23 ASN HB3 1 1 3 1009 1 1 23 ASN HD21 H 6.270 -10.095 9.130 1.00 . A A . 23 ASN HD21 1 1 3 1010 1 1 23 ASN HD22 H 4.777 -10.685 9.684 1.00 . A A . 23 ASN HD22 1 1 3 1011 1 1 23 ASN N N 6.625 -7.790 12.848 1.00 . A A . 23 ASN N 1 1 3 1012 1 1 23 ASN ND2 N 5.667 -10.321 9.870 1.00 . A A . 23 ASN ND2 1 1 3 1013 1 1 23 ASN O O 9.747 -9.472 13.398 1.00 . A A . 23 ASN O 1 1 3 1014 1 1 23 ASN OD1 O 5.297 -10.422 12.035 1.00 . A A . 23 ASN OD1 1 1 3 1015 1 1 24 NH2 HN1 H 8.612 -6.640 12.946 1.00 . A A . 24 NH2 HN1 1 1 3 1016 1 1 24 NH2 HN2 H 10.206 -7.094 13.382 1.00 . A A . 24 NH2 HN2 1 1 3 1017 1 1 24 NH2 N N 9.276 -7.340 13.156 1.00 . A A . 24 NH2 N 1 1 4 1018 1 1 1 GLY C C -9.730 5.026 -12.178 1.00 . A A . 1 GLY C 1 1 4 1019 1 1 1 GLY CA C -11.077 5.701 -12.413 1.00 . A A . 1 GLY CA 1 1 4 1020 1 1 1 GLY H1 H -12.346 4.066 -12.643 1.00 . A A . 1 GLY H1 1 1 4 1021 1 1 1 GLY H2 H -11.370 4.381 -13.997 1.00 . A A . 1 GLY H2 1 1 4 1022 1 1 1 GLY H3 H -12.710 5.370 -13.662 1.00 . A A . 1 GLY H3 1 1 4 1023 1 1 1 GLY HA2 H -10.925 6.640 -12.932 1.00 . A A . 1 GLY HA2 1 1 4 1024 1 1 1 GLY HA3 H -11.556 5.883 -11.461 1.00 . A A . 1 GLY HA3 1 1 4 1025 1 1 1 GLY N N -11.941 4.813 -13.241 1.00 . A A . 1 GLY N 1 1 4 1026 1 1 1 GLY O O -9.649 4.000 -11.502 1.00 . A A . 1 GLY O 1 1 4 1027 1 1 2 VAL C C -6.810 5.306 -11.178 1.00 . A A . 2 VAL C 1 1 4 1028 1 1 2 VAL CA C -7.336 5.052 -12.587 1.00 . A A . 2 VAL CA 1 1 4 1029 1 1 2 VAL CB C -6.389 5.682 -13.609 1.00 . A A . 2 VAL CB 1 1 4 1030 1 1 2 VAL CG1 C -5.011 5.029 -13.501 1.00 . A A . 2 VAL CG1 1 1 4 1031 1 1 2 VAL CG2 C -6.946 5.467 -15.018 1.00 . A A . 2 VAL CG2 1 1 4 1032 1 1 2 VAL H H -8.802 6.422 -13.270 1.00 . A A . 2 VAL H 1 1 4 1033 1 1 2 VAL HA H -7.376 3.988 -12.759 1.00 . A A . 2 VAL HA 1 1 4 1034 1 1 2 VAL HB H -6.302 6.742 -13.412 1.00 . A A . 2 VAL HB 1 1 4 1035 1 1 2 VAL HG11 H -4.572 5.269 -12.544 1.00 . A A . 2 VAL HG11 1 1 4 1036 1 1 2 VAL HG12 H -4.375 5.398 -14.291 1.00 . A A . 2 VAL HG12 1 1 4 1037 1 1 2 VAL HG13 H -5.113 3.957 -13.591 1.00 . A A . 2 VAL HG13 1 1 4 1038 1 1 2 VAL HG21 H -6.208 5.771 -15.746 1.00 . A A . 2 VAL HG21 1 1 4 1039 1 1 2 VAL HG22 H -7.841 6.058 -15.146 1.00 . A A . 2 VAL HG22 1 1 4 1040 1 1 2 VAL HG23 H -7.180 4.423 -15.157 1.00 . A A . 2 VAL HG23 1 1 4 1041 1 1 2 VAL N N -8.676 5.607 -12.741 1.00 . A A . 2 VAL N 1 1 4 1042 1 1 2 VAL O O -6.367 4.384 -10.494 1.00 . A A . 2 VAL O 1 1 4 1043 1 1 3 VAL C C -6.908 5.957 -8.373 1.00 . A A . 3 VAL C 1 1 4 1044 1 1 3 VAL CA C -6.382 6.930 -9.423 1.00 . A A . 3 VAL CA 1 1 4 1045 1 1 3 VAL CB C -6.832 8.343 -9.081 1.00 . A A . 3 VAL CB 1 1 4 1046 1 1 3 VAL CG1 C -6.345 8.711 -7.677 1.00 . A A . 3 VAL CG1 1 1 4 1047 1 1 3 VAL CG2 C -6.249 9.327 -10.098 1.00 . A A . 3 VAL CG2 1 1 4 1048 1 1 3 VAL H H -7.220 7.258 -11.341 1.00 . A A . 3 VAL H 1 1 4 1049 1 1 3 VAL HA H -5.311 6.904 -9.418 1.00 . A A . 3 VAL HA 1 1 4 1050 1 1 3 VAL HB H -7.902 8.385 -9.111 1.00 . A A . 3 VAL HB 1 1 4 1051 1 1 3 VAL HG11 H -5.298 8.466 -7.584 1.00 . A A . 3 VAL HG11 1 1 4 1052 1 1 3 VAL HG12 H -6.912 8.156 -6.943 1.00 . A A . 3 VAL HG12 1 1 4 1053 1 1 3 VAL HG13 H -6.484 9.769 -7.514 1.00 . A A . 3 VAL HG13 1 1 4 1054 1 1 3 VAL HG21 H -6.435 8.963 -11.098 1.00 . A A . 3 VAL HG21 1 1 4 1055 1 1 3 VAL HG22 H -5.184 9.419 -9.940 1.00 . A A . 3 VAL HG22 1 1 4 1056 1 1 3 VAL HG23 H -6.716 10.292 -9.974 1.00 . A A . 3 VAL HG23 1 1 4 1057 1 1 3 VAL N N -6.859 6.564 -10.752 1.00 . A A . 3 VAL N 1 1 4 1058 1 1 3 VAL O O -6.155 5.478 -7.524 1.00 . A A . 3 VAL O 1 1 4 1059 1 1 4 ASP C C -8.072 3.421 -7.463 1.00 . A A . 4 ASP C 1 1 4 1060 1 1 4 ASP CA C -8.819 4.751 -7.483 1.00 . A A . 4 ASP CA 1 1 4 1061 1 1 4 ASP CB C -10.282 4.512 -7.860 1.00 . A A . 4 ASP CB 1 1 4 1062 1 1 4 ASP CG C -10.962 3.665 -6.789 1.00 . A A . 4 ASP CG 1 1 4 1063 1 1 4 ASP H H -8.755 6.079 -9.133 1.00 . A A . 4 ASP H 1 1 4 1064 1 1 4 ASP HA H -8.780 5.191 -6.498 1.00 . A A . 4 ASP HA 1 1 4 1065 1 1 4 ASP HB2 H -10.791 5.464 -7.941 1.00 . A A . 4 ASP HB2 1 1 4 1066 1 1 4 ASP HB3 H -10.328 3.994 -8.809 1.00 . A A . 4 ASP HB3 1 1 4 1067 1 1 4 ASP N N -8.203 5.668 -8.436 1.00 . A A . 4 ASP N 1 1 4 1068 1 1 4 ASP O O -7.806 2.865 -6.397 1.00 . A A . 4 ASP O 1 1 4 1069 1 1 4 ASP OD1 O -11.696 2.762 -7.156 1.00 . A A . 4 ASP OD1 1 1 4 1070 1 1 4 ASP OD2 O -10.738 3.931 -5.620 1.00 . A A . 4 ASP OD2 1 1 4 1071 1 1 5 ILE C C -5.599 1.793 -8.224 1.00 . A A . 5 ILE C 1 1 4 1072 1 1 5 ILE CA C -7.022 1.650 -8.751 1.00 . A A . 5 ILE CA 1 1 4 1073 1 1 5 ILE CB C -6.986 1.191 -10.210 1.00 . A A . 5 ILE CB 1 1 4 1074 1 1 5 ILE CD1 C -8.385 0.818 -12.246 1.00 . A A . 5 ILE CD1 1 1 4 1075 1 1 5 ILE CG1 C -8.417 1.059 -10.736 1.00 . A A . 5 ILE CG1 1 1 4 1076 1 1 5 ILE CG2 C -6.281 -0.164 -10.302 1.00 . A A . 5 ILE CG2 1 1 4 1077 1 1 5 ILE H H -7.978 3.404 -9.462 1.00 . A A . 5 ILE H 1 1 4 1078 1 1 5 ILE HA H -7.540 0.905 -8.165 1.00 . A A . 5 ILE HA 1 1 4 1079 1 1 5 ILE HB H -6.448 1.919 -10.801 1.00 . A A . 5 ILE HB 1 1 4 1080 1 1 5 ILE HD11 H -9.385 0.903 -12.646 1.00 . A A . 5 ILE HD11 1 1 4 1081 1 1 5 ILE HD12 H -8.001 -0.172 -12.446 1.00 . A A . 5 ILE HD12 1 1 4 1082 1 1 5 ILE HD13 H -7.748 1.553 -12.715 1.00 . A A . 5 ILE HD13 1 1 4 1083 1 1 5 ILE HG12 H -8.904 0.224 -10.248 1.00 . A A . 5 ILE HG12 1 1 4 1084 1 1 5 ILE HG13 H -8.963 1.968 -10.530 1.00 . A A . 5 ILE HG13 1 1 4 1085 1 1 5 ILE HG21 H -5.240 -0.046 -10.041 1.00 . A A . 5 ILE HG21 1 1 4 1086 1 1 5 ILE HG22 H -6.359 -0.541 -11.311 1.00 . A A . 5 ILE HG22 1 1 4 1087 1 1 5 ILE HG23 H -6.748 -0.859 -9.621 1.00 . A A . 5 ILE HG23 1 1 4 1088 1 1 5 ILE N N -7.739 2.916 -8.646 1.00 . A A . 5 ILE N 1 1 4 1089 1 1 5 ILE O O -5.159 1.014 -7.376 1.00 . A A . 5 ILE O 1 1 4 1090 1 1 6 LEU C C -3.439 3.124 -6.779 1.00 . A A . 6 LEU C 1 1 4 1091 1 1 6 LEU CA C -3.508 3.025 -8.301 1.00 . A A . 6 LEU CA 1 1 4 1092 1 1 6 LEU CB C -2.979 4.321 -8.936 1.00 . A A . 6 LEU CB 1 1 4 1093 1 1 6 LEU CD1 C -0.729 3.806 -7.945 1.00 . A A . 6 LEU CD1 1 1 4 1094 1 1 6 LEU CD2 C -1.223 3.156 -10.319 1.00 . A A . 6 LEU CD2 1 1 4 1095 1 1 6 LEU CG C -1.473 4.206 -9.223 1.00 . A A . 6 LEU CG 1 1 4 1096 1 1 6 LEU H H -5.284 3.380 -9.402 1.00 . A A . 6 LEU H 1 1 4 1097 1 1 6 LEU HA H -2.899 2.197 -8.625 1.00 . A A . 6 LEU HA 1 1 4 1098 1 1 6 LEU HB2 H -3.506 4.505 -9.861 1.00 . A A . 6 LEU HB2 1 1 4 1099 1 1 6 LEU HB3 H -3.150 5.148 -8.261 1.00 . A A . 6 LEU HB3 1 1 4 1100 1 1 6 LEU HD11 H 0.315 4.063 -8.042 1.00 . A A . 6 LEU HD11 1 1 4 1101 1 1 6 LEU HD12 H -0.824 2.742 -7.789 1.00 . A A . 6 LEU HD12 1 1 4 1102 1 1 6 LEU HD13 H -1.152 4.333 -7.102 1.00 . A A . 6 LEU HD13 1 1 4 1103 1 1 6 LEU HD21 H -2.103 3.058 -10.939 1.00 . A A . 6 LEU HD21 1 1 4 1104 1 1 6 LEU HD22 H -0.996 2.202 -9.865 1.00 . A A . 6 LEU HD22 1 1 4 1105 1 1 6 LEU HD23 H -0.388 3.469 -10.929 1.00 . A A . 6 LEU HD23 1 1 4 1106 1 1 6 LEU HG H -1.105 5.166 -9.558 1.00 . A A . 6 LEU HG 1 1 4 1107 1 1 6 LEU N N -4.882 2.791 -8.729 1.00 . A A . 6 LEU N 1 1 4 1108 1 1 6 LEU O O -2.481 2.664 -6.157 1.00 . A A . 6 LEU O 1 1 4 1109 1 1 7 LYS C C -4.664 2.513 -4.068 1.00 . A A . 7 LYS C 1 1 4 1110 1 1 7 LYS CA C -4.518 3.876 -4.740 1.00 . A A . 7 LYS CA 1 1 4 1111 1 1 7 LYS CB C -5.696 4.773 -4.373 1.00 . A A . 7 LYS CB 1 1 4 1112 1 1 7 LYS CD C -5.458 4.641 -1.857 1.00 . A A . 7 LYS CD 1 1 4 1113 1 1 7 LYS CE C -4.050 4.432 -1.290 1.00 . A A . 7 LYS CE 1 1 4 1114 1 1 7 LYS CG C -5.400 5.566 -3.089 1.00 . A A . 7 LYS CG 1 1 4 1115 1 1 7 LYS H H -5.205 4.067 -6.727 1.00 . A A . 7 LYS H 1 1 4 1116 1 1 7 LYS HA H -3.617 4.336 -4.402 1.00 . A A . 7 LYS HA 1 1 4 1117 1 1 7 LYS HB2 H -5.882 5.463 -5.183 1.00 . A A . 7 LYS HB2 1 1 4 1118 1 1 7 LYS HB3 H -6.557 4.163 -4.226 1.00 . A A . 7 LYS HB3 1 1 4 1119 1 1 7 LYS HD2 H -6.082 5.095 -1.099 1.00 . A A . 7 LYS HD2 1 1 4 1120 1 1 7 LYS HD3 H -5.876 3.686 -2.135 1.00 . A A . 7 LYS HD3 1 1 4 1121 1 1 7 LYS HE2 H -4.043 3.556 -0.658 1.00 . A A . 7 LYS HE2 1 1 4 1122 1 1 7 LYS HE3 H -3.349 4.297 -2.099 1.00 . A A . 7 LYS HE3 1 1 4 1123 1 1 7 LYS HG2 H -4.420 6.017 -3.161 1.00 . A A . 7 LYS HG2 1 1 4 1124 1 1 7 LYS HG3 H -6.139 6.347 -2.981 1.00 . A A . 7 LYS HG3 1 1 4 1125 1 1 7 LYS HZ1 H -3.546 5.350 0.510 1.00 . A A . 7 LYS HZ1 1 1 4 1126 1 1 7 LYS HZ2 H -4.394 6.354 -0.566 1.00 . A A . 7 LYS HZ2 1 1 4 1127 1 1 7 LYS HZ3 H -2.755 6.001 -0.841 1.00 . A A . 7 LYS HZ3 1 1 4 1128 1 1 7 LYS N N -4.466 3.724 -6.184 1.00 . A A . 7 LYS N 1 1 4 1129 1 1 7 LYS NZ N -3.656 5.624 -0.486 1.00 . A A . 7 LYS NZ 1 1 4 1130 1 1 7 LYS O O -4.175 2.299 -2.958 1.00 . A A . 7 LYS O 1 1 4 1131 1 1 8 GLY C C -4.248 -0.543 -4.210 1.00 . A A . 8 GLY C 1 1 4 1132 1 1 8 GLY CA C -5.548 0.256 -4.212 1.00 . A A . 8 GLY CA 1 1 4 1133 1 1 8 GLY H H -5.709 1.819 -5.626 1.00 . A A . 8 GLY H 1 1 4 1134 1 1 8 GLY HA2 H -5.917 0.339 -3.200 1.00 . A A . 8 GLY HA2 1 1 4 1135 1 1 8 GLY HA3 H -6.279 -0.261 -4.821 1.00 . A A . 8 GLY HA3 1 1 4 1136 1 1 8 GLY N N -5.341 1.594 -4.749 1.00 . A A . 8 GLY N 1 1 4 1137 1 1 8 GLY O O -3.958 -1.274 -3.263 1.00 . A A . 8 GLY O 1 1 4 1138 1 1 9 ALA C C -1.146 -0.493 -4.485 1.00 . A A . 9 ALA C 1 1 4 1139 1 1 9 ALA CA C -2.204 -1.121 -5.388 1.00 . A A . 9 ALA CA 1 1 4 1140 1 1 9 ALA CB C -1.715 -1.099 -6.837 1.00 . A A . 9 ALA CB 1 1 4 1141 1 1 9 ALA H H -3.751 0.190 -6.006 1.00 . A A . 9 ALA H 1 1 4 1142 1 1 9 ALA HA H -2.356 -2.146 -5.088 1.00 . A A . 9 ALA HA 1 1 4 1143 1 1 9 ALA HB1 H -1.661 -0.077 -7.184 1.00 . A A . 9 ALA HB1 1 1 4 1144 1 1 9 ALA HB2 H -2.403 -1.654 -7.458 1.00 . A A . 9 ALA HB2 1 1 4 1145 1 1 9 ALA HB3 H -0.736 -1.551 -6.893 1.00 . A A . 9 ALA HB3 1 1 4 1146 1 1 9 ALA N N -3.470 -0.404 -5.278 1.00 . A A . 9 ALA N 1 1 4 1147 1 1 9 ALA O O -0.247 -1.177 -3.998 1.00 . A A . 9 ALA O 1 1 4 1148 1 1 10 ALA C C -0.286 0.960 -2.015 1.00 . A A . 10 ALA C 1 1 4 1149 1 1 10 ALA CA C -0.300 1.526 -3.433 1.00 . A A . 10 ALA CA 1 1 4 1150 1 1 10 ALA CB C -0.656 3.013 -3.388 1.00 . A A . 10 ALA CB 1 1 4 1151 1 1 10 ALA H H -1.992 1.309 -4.691 1.00 . A A . 10 ALA H 1 1 4 1152 1 1 10 ALA HA H 0.685 1.419 -3.861 1.00 . A A . 10 ALA HA 1 1 4 1153 1 1 10 ALA HB1 H -1.723 3.124 -3.264 1.00 . A A . 10 ALA HB1 1 1 4 1154 1 1 10 ALA HB2 H -0.351 3.484 -4.312 1.00 . A A . 10 ALA HB2 1 1 4 1155 1 1 10 ALA HB3 H -0.146 3.483 -2.559 1.00 . A A . 10 ALA HB3 1 1 4 1156 1 1 10 ALA N N -1.257 0.813 -4.272 1.00 . A A . 10 ALA N 1 1 4 1157 1 1 10 ALA O O 0.761 0.550 -1.513 1.00 . A A . 10 ALA O 1 1 4 1158 1 1 11 LYS C C -0.884 -0.931 0.109 1.00 . A A . 11 LYS C 1 1 4 1159 1 1 11 LYS CA C -1.546 0.439 -0.006 1.00 . A A . 11 LYS CA 1 1 4 1160 1 1 11 LYS CB C -3.014 0.337 0.417 1.00 . A A . 11 LYS CB 1 1 4 1161 1 1 11 LYS CD C -5.089 -1.007 -0.002 1.00 . A A . 11 LYS CD 1 1 4 1162 1 1 11 LYS CE C -5.720 -2.036 -0.941 1.00 . A A . 11 LYS CE 1 1 4 1163 1 1 11 LYS CG C -3.800 -0.464 -0.627 1.00 . A A . 11 LYS CG 1 1 4 1164 1 1 11 LYS H H -2.250 1.295 -1.814 1.00 . A A . 11 LYS H 1 1 4 1165 1 1 11 LYS HA H -1.043 1.125 0.658 1.00 . A A . 11 LYS HA 1 1 4 1166 1 1 11 LYS HB2 H -3.076 -0.156 1.376 1.00 . A A . 11 LYS HB2 1 1 4 1167 1 1 11 LYS HB3 H -3.434 1.329 0.497 1.00 . A A . 11 LYS HB3 1 1 4 1168 1 1 11 LYS HD2 H -4.861 -1.477 0.944 1.00 . A A . 11 LYS HD2 1 1 4 1169 1 1 11 LYS HD3 H -5.782 -0.195 0.157 1.00 . A A . 11 LYS HD3 1 1 4 1170 1 1 11 LYS HE2 H -6.602 -2.454 -0.478 1.00 . A A . 11 LYS HE2 1 1 4 1171 1 1 11 LYS HE3 H -5.993 -1.557 -1.869 1.00 . A A . 11 LYS HE3 1 1 4 1172 1 1 11 LYS HG2 H -4.050 0.182 -1.460 1.00 . A A . 11 LYS HG2 1 1 4 1173 1 1 11 LYS HG3 H -3.197 -1.292 -0.978 1.00 . A A . 11 LYS HG3 1 1 4 1174 1 1 11 LYS HZ1 H -5.213 -4.048 -1.125 1.00 . A A . 11 LYS HZ1 1 1 4 1175 1 1 11 LYS HZ2 H -3.959 -3.067 -0.530 1.00 . A A . 11 LYS HZ2 1 1 4 1176 1 1 11 LYS HZ3 H -4.366 -3.022 -2.179 1.00 . A A . 11 LYS HZ3 1 1 4 1177 1 1 11 LYS N N -1.448 0.950 -1.369 1.00 . A A . 11 LYS N 1 1 4 1178 1 1 11 LYS NZ N -4.741 -3.126 -1.215 1.00 . A A . 11 LYS NZ 1 1 4 1179 1 1 11 LYS O O -0.452 -1.331 1.191 1.00 . A A . 11 LYS O 1 1 4 1180 1 1 12 ASP C C 1.222 -2.906 -0.454 1.00 . A A . 12 ASP C 1 1 4 1181 1 1 12 ASP CA C -0.196 -2.972 -1.011 1.00 . A A . 12 ASP CA 1 1 4 1182 1 1 12 ASP CB C -0.163 -3.531 -2.436 1.00 . A A . 12 ASP CB 1 1 4 1183 1 1 12 ASP CG C 0.040 -5.042 -2.398 1.00 . A A . 12 ASP CG 1 1 4 1184 1 1 12 ASP H H -1.169 -1.281 -1.841 1.00 . A A . 12 ASP H 1 1 4 1185 1 1 12 ASP HA H -0.786 -3.631 -0.392 1.00 . A A . 12 ASP HA 1 1 4 1186 1 1 12 ASP HB2 H -1.098 -3.306 -2.931 1.00 . A A . 12 ASP HB2 1 1 4 1187 1 1 12 ASP HB3 H 0.654 -3.075 -2.982 1.00 . A A . 12 ASP HB3 1 1 4 1188 1 1 12 ASP N N -0.808 -1.647 -1.008 1.00 . A A . 12 ASP N 1 1 4 1189 1 1 12 ASP O O 1.581 -3.665 0.447 1.00 . A A . 12 ASP O 1 1 4 1190 1 1 12 ASP OD1 O -0.777 -5.744 -2.972 1.00 . A A . 12 ASP OD1 1 1 4 1191 1 1 12 ASP OD2 O 1.009 -5.475 -1.796 1.00 . A A . 12 ASP OD2 1 1 4 1192 1 1 13 ILE C C 3.450 -1.150 0.811 1.00 . A A . 13 ILE C 1 1 4 1193 1 1 13 ILE CA C 3.404 -1.843 -0.546 1.00 . A A . 13 ILE CA 1 1 4 1194 1 1 13 ILE CB C 4.205 -1.026 -1.565 1.00 . A A . 13 ILE CB 1 1 4 1195 1 1 13 ILE CD1 C 3.052 -0.926 -3.798 1.00 . A A . 13 ILE CD1 1 1 4 1196 1 1 13 ILE CG1 C 4.093 -1.672 -2.958 1.00 . A A . 13 ILE CG1 1 1 4 1197 1 1 13 ILE CG2 C 5.673 -0.985 -1.133 1.00 . A A . 13 ILE CG2 1 1 4 1198 1 1 13 ILE H H 1.685 -1.421 -1.712 1.00 . A A . 13 ILE H 1 1 4 1199 1 1 13 ILE HA H 3.853 -2.820 -0.454 1.00 . A A . 13 ILE HA 1 1 4 1200 1 1 13 ILE HB H 3.816 -0.018 -1.598 1.00 . A A . 13 ILE HB 1 1 4 1201 1 1 13 ILE HD11 H 2.715 -1.563 -4.603 1.00 . A A . 13 ILE HD11 1 1 4 1202 1 1 13 ILE HD12 H 3.495 -0.032 -4.209 1.00 . A A . 13 ILE HD12 1 1 4 1203 1 1 13 ILE HD13 H 2.210 -0.657 -3.177 1.00 . A A . 13 ILE HD13 1 1 4 1204 1 1 13 ILE HG12 H 5.053 -1.625 -3.456 1.00 . A A . 13 ILE HG12 1 1 4 1205 1 1 13 ILE HG13 H 3.793 -2.707 -2.855 1.00 . A A . 13 ILE HG13 1 1 4 1206 1 1 13 ILE HG21 H 6.268 -0.546 -1.922 1.00 . A A . 13 ILE HG21 1 1 4 1207 1 1 13 ILE HG22 H 6.019 -1.989 -0.938 1.00 . A A . 13 ILE HG22 1 1 4 1208 1 1 13 ILE HG23 H 5.769 -0.389 -0.238 1.00 . A A . 13 ILE HG23 1 1 4 1209 1 1 13 ILE N N 2.025 -1.998 -0.997 1.00 . A A . 13 ILE N 1 1 4 1210 1 1 13 ILE O O 4.068 -1.646 1.753 1.00 . A A . 13 ILE O 1 1 4 1211 1 1 14 ALA C C 2.344 -0.135 3.313 1.00 . A A . 14 ALA C 1 1 4 1212 1 1 14 ALA CA C 2.765 0.759 2.151 1.00 . A A . 14 ALA CA 1 1 4 1213 1 1 14 ALA CB C 1.791 1.932 2.027 1.00 . A A . 14 ALA CB 1 1 4 1214 1 1 14 ALA H H 2.318 0.350 0.119 1.00 . A A . 14 ALA H 1 1 4 1215 1 1 14 ALA HA H 3.753 1.146 2.347 1.00 . A A . 14 ALA HA 1 1 4 1216 1 1 14 ALA HB1 H 1.974 2.638 2.824 1.00 . A A . 14 ALA HB1 1 1 4 1217 1 1 14 ALA HB2 H 0.777 1.566 2.097 1.00 . A A . 14 ALA HB2 1 1 4 1218 1 1 14 ALA HB3 H 1.933 2.418 1.074 1.00 . A A . 14 ALA HB3 1 1 4 1219 1 1 14 ALA N N 2.793 0.002 0.904 1.00 . A A . 14 ALA N 1 1 4 1220 1 1 14 ALA O O 2.891 -0.038 4.412 1.00 . A A . 14 ALA O 1 1 4 1221 1 1 15 GLY C C 1.892 -3.020 4.370 1.00 . A A . 15 GLY C 1 1 4 1222 1 1 15 GLY CA C 0.883 -1.909 4.099 1.00 . A A . 15 GLY CA 1 1 4 1223 1 1 15 GLY H H 0.970 -1.036 2.170 1.00 . A A . 15 GLY H 1 1 4 1224 1 1 15 GLY HA2 H 0.717 -1.347 5.011 1.00 . A A . 15 GLY HA2 1 1 4 1225 1 1 15 GLY HA3 H -0.049 -2.350 3.774 1.00 . A A . 15 GLY HA3 1 1 4 1226 1 1 15 GLY N N 1.370 -1.004 3.064 1.00 . A A . 15 GLY N 1 1 4 1227 1 1 15 GLY O O 1.713 -3.823 5.286 1.00 . A A . 15 GLY O 1 1 4 1228 1 1 16 HIS C C 4.980 -3.671 4.809 1.00 . A A . 16 HIS C 1 1 4 1229 1 1 16 HIS CA C 3.982 -4.080 3.730 1.00 . A A . 16 HIS CA 1 1 4 1230 1 1 16 HIS CB C 4.714 -4.296 2.408 1.00 . A A . 16 HIS CB 1 1 4 1231 1 1 16 HIS CD2 C 5.538 -6.607 1.464 1.00 . A A . 16 HIS CD2 1 1 4 1232 1 1 16 HIS CE1 C 6.575 -7.317 3.231 1.00 . A A . 16 HIS CE1 1 1 4 1233 1 1 16 HIS CG C 5.404 -5.634 2.423 1.00 . A A . 16 HIS CG 1 1 4 1234 1 1 16 HIS H H 3.040 -2.395 2.854 1.00 . A A . 16 HIS H 1 1 4 1235 1 1 16 HIS HA H 3.518 -5.004 4.017 1.00 . A A . 16 HIS HA 1 1 4 1236 1 1 16 HIS HB2 H 4.006 -4.264 1.594 1.00 . A A . 16 HIS HB2 1 1 4 1237 1 1 16 HIS HB3 H 5.441 -3.520 2.281 1.00 . A A . 16 HIS HB3 1 1 4 1238 1 1 16 HIS HD2 H 5.131 -6.557 0.465 1.00 . A A . 16 HIS HD2 1 1 4 1239 1 1 16 HIS HE1 H 7.148 -7.928 3.912 1.00 . A A . 16 HIS HE1 1 1 4 1240 1 1 16 HIS HE2 H 6.527 -8.498 1.516 1.00 . A A . 16 HIS HE2 1 1 4 1241 1 1 16 HIS N N 2.951 -3.061 3.567 1.00 . A A . 16 HIS N 1 1 4 1242 1 1 16 HIS ND1 N 6.073 -6.107 3.541 1.00 . A A . 16 HIS ND1 1 1 4 1243 1 1 16 HIS NE2 N 6.278 -7.670 1.976 1.00 . A A . 16 HIS NE2 1 1 4 1244 1 1 16 HIS O O 5.084 -4.320 5.850 1.00 . A A . 16 HIS O 1 1 4 1245 1 1 17 LEU C C 6.050 -1.791 6.842 1.00 . A A . 17 LEU C 1 1 4 1246 1 1 17 LEU CA C 6.701 -2.107 5.499 1.00 . A A . 17 LEU CA 1 1 4 1247 1 1 17 LEU CB C 7.363 -0.850 4.935 1.00 . A A . 17 LEU CB 1 1 4 1248 1 1 17 LEU CD1 C 6.399 1.288 5.830 1.00 . A A . 17 LEU CD1 1 1 4 1249 1 1 17 LEU CD2 C 6.543 0.925 3.364 1.00 . A A . 17 LEU CD2 1 1 4 1250 1 1 17 LEU CG C 6.307 0.242 4.714 1.00 . A A . 17 LEU CG 1 1 4 1251 1 1 17 LEU H H 5.593 -2.116 3.707 1.00 . A A . 17 LEU H 1 1 4 1252 1 1 17 LEU HA H 7.456 -2.864 5.642 1.00 . A A . 17 LEU HA 1 1 4 1253 1 1 17 LEU HB2 H 8.098 -0.500 5.633 1.00 . A A . 17 LEU HB2 1 1 4 1254 1 1 17 LEU HB3 H 7.838 -1.089 3.992 1.00 . A A . 17 LEU HB3 1 1 4 1255 1 1 17 LEU HD11 H 5.566 1.971 5.753 1.00 . A A . 17 LEU HD11 1 1 4 1256 1 1 17 LEU HD12 H 7.324 1.836 5.734 1.00 . A A . 17 LEU HD12 1 1 4 1257 1 1 17 LEU HD13 H 6.373 0.794 6.790 1.00 . A A . 17 LEU HD13 1 1 4 1258 1 1 17 LEU HD21 H 7.590 1.167 3.261 1.00 . A A . 17 LEU HD21 1 1 4 1259 1 1 17 LEU HD22 H 5.957 1.831 3.311 1.00 . A A . 17 LEU HD22 1 1 4 1260 1 1 17 LEU HD23 H 6.247 0.259 2.568 1.00 . A A . 17 LEU HD23 1 1 4 1261 1 1 17 LEU HG H 5.327 -0.202 4.727 1.00 . A A . 17 LEU HG 1 1 4 1262 1 1 17 LEU N N 5.715 -2.595 4.551 1.00 . A A . 17 LEU N 1 1 4 1263 1 1 17 LEU O O 6.661 -1.969 7.896 1.00 . A A . 17 LEU O 1 1 4 1264 1 1 18 ALA C C 4.100 -2.157 8.993 1.00 . A A . 18 ALA C 1 1 4 1265 1 1 18 ALA CA C 4.086 -0.983 8.018 1.00 . A A . 18 ALA CA 1 1 4 1266 1 1 18 ALA CB C 2.639 -0.613 7.684 1.00 . A A . 18 ALA CB 1 1 4 1267 1 1 18 ALA H H 4.370 -1.200 5.929 1.00 . A A . 18 ALA H 1 1 4 1268 1 1 18 ALA HA H 4.563 -0.135 8.485 1.00 . A A . 18 ALA HA 1 1 4 1269 1 1 18 ALA HB1 H 2.630 0.244 7.026 1.00 . A A . 18 ALA HB1 1 1 4 1270 1 1 18 ALA HB2 H 2.109 -0.374 8.594 1.00 . A A . 18 ALA HB2 1 1 4 1271 1 1 18 ALA HB3 H 2.158 -1.446 7.194 1.00 . A A . 18 ALA HB3 1 1 4 1272 1 1 18 ALA N N 4.807 -1.321 6.798 1.00 . A A . 18 ALA N 1 1 4 1273 1 1 18 ALA O O 4.421 -1.996 10.169 1.00 . A A . 18 ALA O 1 1 4 1274 1 1 19 SER C C 5.116 -4.829 9.881 1.00 . A A . 19 SER C 1 1 4 1275 1 1 19 SER CA C 3.724 -4.533 9.325 1.00 . A A . 19 SER CA 1 1 4 1276 1 1 19 SER CB C 3.225 -5.724 8.502 1.00 . A A . 19 SER CB 1 1 4 1277 1 1 19 SER H H 3.502 -3.406 7.548 1.00 . A A . 19 SER H 1 1 4 1278 1 1 19 SER HA H 3.045 -4.371 10.148 1.00 . A A . 19 SER HA 1 1 4 1279 1 1 19 SER HB2 H 3.308 -5.499 7.452 1.00 . A A . 19 SER HB2 1 1 4 1280 1 1 19 SER HB3 H 3.823 -6.598 8.727 1.00 . A A . 19 SER HB3 1 1 4 1281 1 1 19 SER HG H 1.815 -6.805 9.298 1.00 . A A . 19 SER HG 1 1 4 1282 1 1 19 SER N N 3.749 -3.338 8.492 1.00 . A A . 19 SER N 1 1 4 1283 1 1 19 SER O O 5.254 -5.399 10.963 1.00 . A A . 19 SER O 1 1 4 1284 1 1 19 SER OG O 1.862 -5.974 8.819 1.00 . A A . 19 SER OG 1 1 4 1285 1 1 20 LYS C C 7.791 -3.982 10.891 1.00 . A A . 20 LYS C 1 1 4 1286 1 1 20 LYS CA C 7.517 -4.670 9.556 1.00 . A A . 20 LYS CA 1 1 4 1287 1 1 20 LYS CB C 8.482 -4.142 8.497 1.00 . A A . 20 LYS CB 1 1 4 1288 1 1 20 LYS CD C 9.867 -6.127 7.836 1.00 . A A . 20 LYS CD 1 1 4 1289 1 1 20 LYS CE C 11.247 -6.778 7.948 1.00 . A A . 20 LYS CE 1 1 4 1290 1 1 20 LYS CG C 9.849 -4.827 8.644 1.00 . A A . 20 LYS CG 1 1 4 1291 1 1 20 LYS H H 5.970 -3.991 8.277 1.00 . A A . 20 LYS H 1 1 4 1292 1 1 20 LYS HA H 7.676 -5.723 9.669 1.00 . A A . 20 LYS HA 1 1 4 1293 1 1 20 LYS HB2 H 8.081 -4.339 7.514 1.00 . A A . 20 LYS HB2 1 1 4 1294 1 1 20 LYS HB3 H 8.600 -3.084 8.629 1.00 . A A . 20 LYS HB3 1 1 4 1295 1 1 20 LYS HD2 H 9.118 -6.803 8.222 1.00 . A A . 20 LYS HD2 1 1 4 1296 1 1 20 LYS HD3 H 9.658 -5.911 6.800 1.00 . A A . 20 LYS HD3 1 1 4 1297 1 1 20 LYS HE2 H 12.009 -6.044 7.738 1.00 . A A . 20 LYS HE2 1 1 4 1298 1 1 20 LYS HE3 H 11.384 -7.164 8.948 1.00 . A A . 20 LYS HE3 1 1 4 1299 1 1 20 LYS HG2 H 10.622 -4.166 8.279 1.00 . A A . 20 LYS HG2 1 1 4 1300 1 1 20 LYS HG3 H 10.032 -5.050 9.685 1.00 . A A . 20 LYS HG3 1 1 4 1301 1 1 20 LYS HZ1 H 11.640 -8.764 7.459 1.00 . A A . 20 LYS HZ1 1 1 4 1302 1 1 20 LYS HZ2 H 12.056 -7.655 6.241 1.00 . A A . 20 LYS HZ2 1 1 4 1303 1 1 20 LYS HZ3 H 10.426 -8.047 6.517 1.00 . A A . 20 LYS HZ3 1 1 4 1304 1 1 20 LYS N N 6.142 -4.440 9.131 1.00 . A A . 20 LYS N 1 1 4 1305 1 1 20 LYS NZ N 11.350 -7.895 6.967 1.00 . A A . 20 LYS NZ 1 1 4 1306 1 1 20 LYS O O 8.513 -4.511 11.735 1.00 . A A . 20 LYS O 1 1 4 1307 1 1 21 VAL C C 6.622 -2.687 13.451 1.00 . A A . 21 VAL C 1 1 4 1308 1 1 21 VAL CA C 7.402 -2.048 12.307 1.00 . A A . 21 VAL CA 1 1 4 1309 1 1 21 VAL CB C 6.938 -0.604 12.115 1.00 . A A . 21 VAL CB 1 1 4 1310 1 1 21 VAL CG1 C 7.085 0.160 13.433 1.00 . A A . 21 VAL CG1 1 1 4 1311 1 1 21 VAL CG2 C 7.796 0.068 11.040 1.00 . A A . 21 VAL CG2 1 1 4 1312 1 1 21 VAL H H 6.648 -2.426 10.362 1.00 . A A . 21 VAL H 1 1 4 1313 1 1 21 VAL HA H 8.452 -2.046 12.557 1.00 . A A . 21 VAL HA 1 1 4 1314 1 1 21 VAL HB H 5.902 -0.596 11.809 1.00 . A A . 21 VAL HB 1 1 4 1315 1 1 21 VAL HG11 H 6.331 -0.176 14.130 1.00 . A A . 21 VAL HG11 1 1 4 1316 1 1 21 VAL HG12 H 6.963 1.217 13.253 1.00 . A A . 21 VAL HG12 1 1 4 1317 1 1 21 VAL HG13 H 8.066 -0.023 13.848 1.00 . A A . 21 VAL HG13 1 1 4 1318 1 1 21 VAL HG21 H 7.550 -0.346 10.073 1.00 . A A . 21 VAL HG21 1 1 4 1319 1 1 21 VAL HG22 H 8.840 -0.106 11.252 1.00 . A A . 21 VAL HG22 1 1 4 1320 1 1 21 VAL HG23 H 7.601 1.130 11.037 1.00 . A A . 21 VAL HG23 1 1 4 1321 1 1 21 VAL N N 7.211 -2.800 11.072 1.00 . A A . 21 VAL N 1 1 4 1322 1 1 21 VAL O O 7.187 -3.007 14.498 1.00 . A A . 21 VAL O 1 1 4 1323 1 1 22 MET C C 5.008 -4.842 14.672 1.00 . A A . 22 MET C 1 1 4 1324 1 1 22 MET CA C 4.475 -3.471 14.269 1.00 . A A . 22 MET CA 1 1 4 1325 1 1 22 MET CB C 3.044 -3.611 13.745 1.00 . A A . 22 MET CB 1 1 4 1326 1 1 22 MET CE C 0.810 -0.765 11.827 1.00 . A A . 22 MET CE 1 1 4 1327 1 1 22 MET CG C 2.507 -2.232 13.357 1.00 . A A . 22 MET CG 1 1 4 1328 1 1 22 MET H H 4.926 -2.594 12.393 1.00 . A A . 22 MET H 1 1 4 1329 1 1 22 MET HA H 4.466 -2.830 15.137 1.00 . A A . 22 MET HA 1 1 4 1330 1 1 22 MET HB2 H 3.040 -4.258 12.877 1.00 . A A . 22 MET HB2 1 1 4 1331 1 1 22 MET HB3 H 2.416 -4.034 14.518 1.00 . A A . 22 MET HB3 1 1 4 1332 1 1 22 MET HE1 H 1.009 -0.022 12.588 1.00 . A A . 22 MET HE1 1 1 4 1333 1 1 22 MET HE2 H -0.172 -0.600 11.415 1.00 . A A . 22 MET HE2 1 1 4 1334 1 1 22 MET HE3 H 1.546 -0.689 11.040 1.00 . A A . 22 MET HE3 1 1 4 1335 1 1 22 MET HG2 H 2.407 -1.621 14.244 1.00 . A A . 22 MET HG2 1 1 4 1336 1 1 22 MET HG3 H 3.194 -1.760 12.665 1.00 . A A . 22 MET HG3 1 1 4 1337 1 1 22 MET N N 5.322 -2.870 13.246 1.00 . A A . 22 MET N 1 1 4 1338 1 1 22 MET O O 5.273 -5.094 15.847 1.00 . A A . 22 MET O 1 1 4 1339 1 1 22 MET SD S 0.890 -2.416 12.566 1.00 . A A . 22 MET SD 1 1 4 1340 1 1 23 ASN C C 7.156 -7.029 14.273 1.00 . A A . 23 ASN C 1 1 4 1341 1 1 23 ASN CA C 5.664 -7.067 13.954 1.00 . A A . 23 ASN CA 1 1 4 1342 1 1 23 ASN CB C 5.422 -7.964 12.740 1.00 . A A . 23 ASN CB 1 1 4 1343 1 1 23 ASN CG C 3.979 -7.825 12.268 1.00 . A A . 23 ASN CG 1 1 4 1344 1 1 23 ASN H H 4.934 -5.467 12.771 1.00 . A A . 23 ASN H 1 1 4 1345 1 1 23 ASN HA H 5.136 -7.478 14.802 1.00 . A A . 23 ASN HA 1 1 4 1346 1 1 23 ASN HB2 H 6.090 -7.674 11.941 1.00 . A A . 23 ASN HB2 1 1 4 1347 1 1 23 ASN HB3 H 5.613 -8.993 13.010 1.00 . A A . 23 ASN HB3 1 1 4 1348 1 1 23 ASN HD21 H 4.408 -8.214 10.368 1.00 . A A . 23 ASN HD21 1 1 4 1349 1 1 23 ASN HD22 H 2.771 -7.909 10.694 1.00 . A A . 23 ASN HD22 1 1 4 1350 1 1 23 ASN N N 5.161 -5.724 13.689 1.00 . A A . 23 ASN N 1 1 4 1351 1 1 23 ASN ND2 N 3.696 -7.997 11.005 1.00 . A A . 23 ASN ND2 1 1 4 1352 1 1 23 ASN O O 7.802 -8.072 14.368 1.00 . A A . 23 ASN O 1 1 4 1353 1 1 23 ASN OD1 O 3.086 -7.552 13.070 1.00 . A A . 23 ASN OD1 1 1 4 1354 1 1 24 NH2 HN1 H 7.223 -5.042 14.367 1.00 . A A . 24 NH2 HN1 1 1 4 1355 1 1 24 NH2 HN2 H 8.710 -5.845 14.651 1.00 . A A . 24 NH2 HN2 1 1 4 1356 1 1 24 NH2 N N 7.744 -5.877 14.444 1.00 . A A . 24 NH2 N 1 1 5 1357 1 1 1 GLY C C -8.550 3.730 -13.619 1.00 . A A . 1 GLY C 1 1 5 1358 1 1 1 GLY CA C -9.820 4.284 -14.252 1.00 . A A . 1 GLY CA 1 1 5 1359 1 1 1 GLY H1 H -11.462 5.372 -13.576 1.00 . A A . 1 GLY H1 1 1 5 1360 1 1 1 GLY H2 H -9.973 6.166 -13.374 1.00 . A A . 1 GLY H2 1 1 5 1361 1 1 1 GLY H3 H -10.403 4.884 -12.346 1.00 . A A . 1 GLY H3 1 1 5 1362 1 1 1 GLY HA2 H -10.507 3.472 -14.458 1.00 . A A . 1 GLY HA2 1 1 5 1363 1 1 1 GLY HA3 H -9.568 4.791 -15.175 1.00 . A A . 1 GLY HA3 1 1 5 1364 1 1 1 GLY N N -10.463 5.250 -13.317 1.00 . A A . 1 GLY N 1 1 5 1365 1 1 1 GLY O O -8.547 2.624 -13.077 1.00 . A A . 1 GLY O 1 1 5 1366 1 1 2 VAL C C -6.116 4.463 -11.641 1.00 . A A . 2 VAL C 1 1 5 1367 1 1 2 VAL CA C -6.197 4.080 -13.116 1.00 . A A . 2 VAL CA 1 1 5 1368 1 1 2 VAL CB C -5.040 4.730 -13.876 1.00 . A A . 2 VAL CB 1 1 5 1369 1 1 2 VAL CG1 C -3.710 4.238 -13.302 1.00 . A A . 2 VAL CG1 1 1 5 1370 1 1 2 VAL CG2 C -5.126 4.351 -15.356 1.00 . A A . 2 VAL CG2 1 1 5 1371 1 1 2 VAL H H -7.532 5.377 -14.130 1.00 . A A . 2 VAL H 1 1 5 1372 1 1 2 VAL HA H -6.112 3.007 -13.204 1.00 . A A . 2 VAL HA 1 1 5 1373 1 1 2 VAL HB H -5.100 5.803 -13.773 1.00 . A A . 2 VAL HB 1 1 5 1374 1 1 2 VAL HG11 H -2.912 4.464 -13.994 1.00 . A A . 2 VAL HG11 1 1 5 1375 1 1 2 VAL HG12 H -3.757 3.171 -13.146 1.00 . A A . 2 VAL HG12 1 1 5 1376 1 1 2 VAL HG13 H -3.520 4.732 -12.360 1.00 . A A . 2 VAL HG13 1 1 5 1377 1 1 2 VAL HG21 H -4.251 4.716 -15.873 1.00 . A A . 2 VAL HG21 1 1 5 1378 1 1 2 VAL HG22 H -6.011 4.793 -15.791 1.00 . A A . 2 VAL HG22 1 1 5 1379 1 1 2 VAL HG23 H -5.178 3.276 -15.451 1.00 . A A . 2 VAL HG23 1 1 5 1380 1 1 2 VAL N N -7.471 4.504 -13.687 1.00 . A A . 2 VAL N 1 1 5 1381 1 1 2 VAL O O -5.479 3.773 -10.845 1.00 . A A . 2 VAL O 1 1 5 1382 1 1 3 VAL C C -7.316 4.965 -8.968 1.00 . A A . 3 VAL C 1 1 5 1383 1 1 3 VAL CA C -6.759 6.033 -9.904 1.00 . A A . 3 VAL CA 1 1 5 1384 1 1 3 VAL CB C -7.586 7.305 -9.781 1.00 . A A . 3 VAL CB 1 1 5 1385 1 1 3 VAL CG1 C -7.667 7.730 -8.314 1.00 . A A . 3 VAL CG1 1 1 5 1386 1 1 3 VAL CG2 C -6.930 8.421 -10.599 1.00 . A A . 3 VAL CG2 1 1 5 1387 1 1 3 VAL H H -7.255 6.077 -11.963 1.00 . A A . 3 VAL H 1 1 5 1388 1 1 3 VAL HA H -5.750 6.255 -9.617 1.00 . A A . 3 VAL HA 1 1 5 1389 1 1 3 VAL HB H -8.572 7.117 -10.156 1.00 . A A . 3 VAL HB 1 1 5 1390 1 1 3 VAL HG11 H -8.332 7.064 -7.783 1.00 . A A . 3 VAL HG11 1 1 5 1391 1 1 3 VAL HG12 H -8.043 8.740 -8.251 1.00 . A A . 3 VAL HG12 1 1 5 1392 1 1 3 VAL HG13 H -6.683 7.683 -7.870 1.00 . A A . 3 VAL HG13 1 1 5 1393 1 1 3 VAL HG21 H -6.016 8.733 -10.115 1.00 . A A . 3 VAL HG21 1 1 5 1394 1 1 3 VAL HG22 H -7.605 9.260 -10.669 1.00 . A A . 3 VAL HG22 1 1 5 1395 1 1 3 VAL HG23 H -6.705 8.056 -11.590 1.00 . A A . 3 VAL HG23 1 1 5 1396 1 1 3 VAL N N -6.765 5.566 -11.285 1.00 . A A . 3 VAL N 1 1 5 1397 1 1 3 VAL O O -6.690 4.614 -7.968 1.00 . A A . 3 VAL O 1 1 5 1398 1 1 4 ASP C C -8.154 2.289 -8.194 1.00 . A A . 4 ASP C 1 1 5 1399 1 1 4 ASP CA C -9.130 3.426 -8.478 1.00 . A A . 4 ASP CA 1 1 5 1400 1 1 4 ASP CB C -10.364 2.873 -9.196 1.00 . A A . 4 ASP CB 1 1 5 1401 1 1 4 ASP CG C -11.089 1.880 -8.294 1.00 . A A . 4 ASP CG 1 1 5 1402 1 1 4 ASP H H -8.951 4.773 -10.107 1.00 . A A . 4 ASP H 1 1 5 1403 1 1 4 ASP HA H -9.439 3.866 -7.543 1.00 . A A . 4 ASP HA 1 1 5 1404 1 1 4 ASP HB2 H -11.032 3.691 -9.439 1.00 . A A . 4 ASP HB2 1 1 5 1405 1 1 4 ASP HB3 H -10.056 2.373 -10.105 1.00 . A A . 4 ASP HB3 1 1 5 1406 1 1 4 ASP N N -8.497 4.453 -9.299 1.00 . A A . 4 ASP N 1 1 5 1407 1 1 4 ASP O O -8.247 1.624 -7.162 1.00 . A A . 4 ASP O 1 1 5 1408 1 1 4 ASP OD1 O -11.853 1.085 -8.817 1.00 . A A . 4 ASP OD1 1 1 5 1409 1 1 4 ASP OD2 O -10.870 1.929 -7.096 1.00 . A A . 4 ASP OD2 1 1 5 1410 1 1 5 ILE C C -5.009 1.521 -8.200 1.00 . A A . 5 ILE C 1 1 5 1411 1 1 5 ILE CA C -6.233 1.008 -8.954 1.00 . A A . 5 ILE CA 1 1 5 1412 1 1 5 ILE CB C -5.805 0.483 -10.325 1.00 . A A . 5 ILE CB 1 1 5 1413 1 1 5 ILE CD1 C -6.625 -0.325 -12.544 1.00 . A A . 5 ILE CD1 1 1 5 1414 1 1 5 ILE CG1 C -7.047 0.243 -11.187 1.00 . A A . 5 ILE CG1 1 1 5 1415 1 1 5 ILE CG2 C -5.043 -0.831 -10.155 1.00 . A A . 5 ILE CG2 1 1 5 1416 1 1 5 ILE H H -7.198 2.632 -9.917 1.00 . A A . 5 ILE H 1 1 5 1417 1 1 5 ILE HA H -6.675 0.197 -8.395 1.00 . A A . 5 ILE HA 1 1 5 1418 1 1 5 ILE HB H -5.166 1.211 -10.806 1.00 . A A . 5 ILE HB 1 1 5 1419 1 1 5 ILE HD11 H -7.466 -0.300 -13.222 1.00 . A A . 5 ILE HD11 1 1 5 1420 1 1 5 ILE HD12 H -6.292 -1.344 -12.420 1.00 . A A . 5 ILE HD12 1 1 5 1421 1 1 5 ILE HD13 H -5.820 0.271 -12.948 1.00 . A A . 5 ILE HD13 1 1 5 1422 1 1 5 ILE HG12 H -7.701 -0.461 -10.689 1.00 . A A . 5 ILE HG12 1 1 5 1423 1 1 5 ILE HG13 H -7.569 1.178 -11.336 1.00 . A A . 5 ILE HG13 1 1 5 1424 1 1 5 ILE HG21 H -4.269 -0.704 -9.413 1.00 . A A . 5 ILE HG21 1 1 5 1425 1 1 5 ILE HG22 H -4.596 -1.113 -11.097 1.00 . A A . 5 ILE HG22 1 1 5 1426 1 1 5 ILE HG23 H -5.726 -1.604 -9.834 1.00 . A A . 5 ILE HG23 1 1 5 1427 1 1 5 ILE N N -7.222 2.070 -9.115 1.00 . A A . 5 ILE N 1 1 5 1428 1 1 5 ILE O O -4.598 0.938 -7.197 1.00 . A A . 5 ILE O 1 1 5 1429 1 1 6 LEU C C -3.529 3.489 -6.587 1.00 . A A . 6 LEU C 1 1 5 1430 1 1 6 LEU CA C -3.253 3.194 -8.059 1.00 . A A . 6 LEU CA 1 1 5 1431 1 1 6 LEU CB C -2.863 4.490 -8.786 1.00 . A A . 6 LEU CB 1 1 5 1432 1 1 6 LEU CD1 C -0.871 4.650 -7.265 1.00 . A A . 6 LEU CD1 1 1 5 1433 1 1 6 LEU CD2 C -0.618 3.627 -9.542 1.00 . A A . 6 LEU CD2 1 1 5 1434 1 1 6 LEU CG C -1.343 4.708 -8.721 1.00 . A A . 6 LEU CG 1 1 5 1435 1 1 6 LEU H H -4.804 3.033 -9.496 1.00 . A A . 6 LEU H 1 1 5 1436 1 1 6 LEU HA H -2.440 2.491 -8.128 1.00 . A A . 6 LEU HA 1 1 5 1437 1 1 6 LEU HB2 H -3.172 4.426 -9.819 1.00 . A A . 6 LEU HB2 1 1 5 1438 1 1 6 LEU HB3 H -3.361 5.328 -8.319 1.00 . A A . 6 LEU HB3 1 1 5 1439 1 1 6 LEU HD11 H 0.101 5.114 -7.183 1.00 . A A . 6 LEU HD11 1 1 5 1440 1 1 6 LEU HD12 H -0.803 3.621 -6.948 1.00 . A A . 6 LEU HD12 1 1 5 1441 1 1 6 LEU HD13 H -1.574 5.177 -6.637 1.00 . A A . 6 LEU HD13 1 1 5 1442 1 1 6 LEU HD21 H -1.275 3.254 -10.315 1.00 . A A . 6 LEU HD21 1 1 5 1443 1 1 6 LEU HD22 H -0.327 2.812 -8.895 1.00 . A A . 6 LEU HD22 1 1 5 1444 1 1 6 LEU HD23 H 0.262 4.055 -9.997 1.00 . A A . 6 LEU HD23 1 1 5 1445 1 1 6 LEU HG H -1.109 5.682 -9.128 1.00 . A A . 6 LEU HG 1 1 5 1446 1 1 6 LEU N N -4.432 2.612 -8.692 1.00 . A A . 6 LEU N 1 1 5 1447 1 1 6 LEU O O -2.720 3.167 -5.717 1.00 . A A . 6 LEU O 1 1 5 1448 1 1 7 LYS C C -5.084 3.166 -4.088 1.00 . A A . 7 LYS C 1 1 5 1449 1 1 7 LYS CA C -5.051 4.426 -4.949 1.00 . A A . 7 LYS CA 1 1 5 1450 1 1 7 LYS CB C -6.418 5.100 -4.952 1.00 . A A . 7 LYS CB 1 1 5 1451 1 1 7 LYS CD C -6.716 5.258 -2.445 1.00 . A A . 7 LYS CD 1 1 5 1452 1 1 7 LYS CE C -5.441 5.376 -1.603 1.00 . A A . 7 LYS CE 1 1 5 1453 1 1 7 LYS CG C -6.560 6.054 -3.755 1.00 . A A . 7 LYS CG 1 1 5 1454 1 1 7 LYS H H -5.290 4.326 -7.044 1.00 . A A . 7 LYS H 1 1 5 1455 1 1 7 LYS HA H -4.336 5.106 -4.544 1.00 . A A . 7 LYS HA 1 1 5 1456 1 1 7 LYS HB2 H -6.536 5.660 -5.869 1.00 . A A . 7 LYS HB2 1 1 5 1457 1 1 7 LYS HB3 H -7.168 4.347 -4.902 1.00 . A A . 7 LYS HB3 1 1 5 1458 1 1 7 LYS HD2 H -7.549 5.656 -1.882 1.00 . A A . 7 LYS HD2 1 1 5 1459 1 1 7 LYS HD3 H -6.903 4.218 -2.665 1.00 . A A . 7 LYS HD3 1 1 5 1460 1 1 7 LYS HE2 H -5.429 4.596 -0.857 1.00 . A A . 7 LYS HE2 1 1 5 1461 1 1 7 LYS HE3 H -4.576 5.274 -2.242 1.00 . A A . 7 LYS HE3 1 1 5 1462 1 1 7 LYS HG2 H -5.686 6.687 -3.693 1.00 . A A . 7 LYS HG2 1 1 5 1463 1 1 7 LYS HG3 H -7.433 6.674 -3.900 1.00 . A A . 7 LYS HG3 1 1 5 1464 1 1 7 LYS HZ1 H -5.728 6.605 0.052 1.00 . A A . 7 LYS HZ1 1 1 5 1465 1 1 7 LYS HZ2 H -6.040 7.363 -1.437 1.00 . A A . 7 LYS HZ2 1 1 5 1466 1 1 7 LYS HZ3 H -4.439 7.078 -0.944 1.00 . A A . 7 LYS HZ3 1 1 5 1467 1 1 7 LYS N N -4.678 4.097 -6.315 1.00 . A A . 7 LYS N 1 1 5 1468 1 1 7 LYS NZ N -5.410 6.706 -0.933 1.00 . A A . 7 LYS NZ 1 1 5 1469 1 1 7 LYS O O -4.450 3.104 -3.036 1.00 . A A . 7 LYS O 1 1 5 1470 1 1 8 GLY C C -4.571 0.219 -3.718 1.00 . A A . 8 GLY C 1 1 5 1471 1 1 8 GLY CA C -5.928 0.908 -3.812 1.00 . A A . 8 GLY CA 1 1 5 1472 1 1 8 GLY H H -6.305 2.264 -5.392 1.00 . A A . 8 GLY H 1 1 5 1473 1 1 8 GLY HA2 H -6.294 1.112 -2.815 1.00 . A A . 8 GLY HA2 1 1 5 1474 1 1 8 GLY HA3 H -6.621 0.253 -4.323 1.00 . A A . 8 GLY HA3 1 1 5 1475 1 1 8 GLY N N -5.823 2.162 -4.546 1.00 . A A . 8 GLY N 1 1 5 1476 1 1 8 GLY O O -4.303 -0.520 -2.770 1.00 . A A . 8 GLY O 1 1 5 1477 1 1 9 ALA C C -1.473 0.539 -3.712 1.00 . A A . 9 ALA C 1 1 5 1478 1 1 9 ALA CA C -2.389 -0.139 -4.727 1.00 . A A . 9 ALA CA 1 1 5 1479 1 1 9 ALA CB C -1.784 -0.018 -6.127 1.00 . A A . 9 ALA CB 1 1 5 1480 1 1 9 ALA H H -3.986 1.061 -5.437 1.00 . A A . 9 ALA H 1 1 5 1481 1 1 9 ALA HA H -2.477 -1.185 -4.475 1.00 . A A . 9 ALA HA 1 1 5 1482 1 1 9 ALA HB1 H -2.380 -0.584 -6.827 1.00 . A A . 9 ALA HB1 1 1 5 1483 1 1 9 ALA HB2 H -0.775 -0.404 -6.117 1.00 . A A . 9 ALA HB2 1 1 5 1484 1 1 9 ALA HB3 H -1.769 1.020 -6.424 1.00 . A A . 9 ALA HB3 1 1 5 1485 1 1 9 ALA N N -3.718 0.465 -4.708 1.00 . A A . 9 ALA N 1 1 5 1486 1 1 9 ALA O O -0.565 -0.088 -3.167 1.00 . A A . 9 ALA O 1 1 5 1487 1 1 10 ALA C C -0.974 1.956 -1.127 1.00 . A A . 10 ALA C 1 1 5 1488 1 1 10 ALA CA C -0.897 2.575 -2.520 1.00 . A A . 10 ALA CA 1 1 5 1489 1 1 10 ALA CB C -1.375 4.028 -2.461 1.00 . A A . 10 ALA CB 1 1 5 1490 1 1 10 ALA H H -2.448 2.273 -3.935 1.00 . A A . 10 ALA H 1 1 5 1491 1 1 10 ALA HA H 0.129 2.561 -2.853 1.00 . A A . 10 ALA HA 1 1 5 1492 1 1 10 ALA HB1 H -0.629 4.631 -1.966 1.00 . A A . 10 ALA HB1 1 1 5 1493 1 1 10 ALA HB2 H -2.303 4.079 -1.912 1.00 . A A . 10 ALA HB2 1 1 5 1494 1 1 10 ALA HB3 H -1.529 4.397 -3.464 1.00 . A A . 10 ALA HB3 1 1 5 1495 1 1 10 ALA N N -1.713 1.823 -3.468 1.00 . A A . 10 ALA N 1 1 5 1496 1 1 10 ALA O O 0.046 1.589 -0.544 1.00 . A A . 10 ALA O 1 1 5 1497 1 1 11 LYS C C -1.696 -0.080 0.848 1.00 . A A . 11 LYS C 1 1 5 1498 1 1 11 LYS CA C -2.384 1.277 0.731 1.00 . A A . 11 LYS CA 1 1 5 1499 1 1 11 LYS CB C -3.879 1.118 1.016 1.00 . A A . 11 LYS CB 1 1 5 1500 1 1 11 LYS CD C -5.888 -0.209 0.332 1.00 . A A . 11 LYS CD 1 1 5 1501 1 1 11 LYS CE C -6.819 0.934 0.743 1.00 . A A . 11 LYS CE 1 1 5 1502 1 1 11 LYS CG C -4.547 0.362 -0.137 1.00 . A A . 11 LYS CG 1 1 5 1503 1 1 11 LYS H H -2.965 2.160 -1.106 1.00 . A A . 11 LYS H 1 1 5 1504 1 1 11 LYS HA H -1.961 1.947 1.465 1.00 . A A . 11 LYS HA 1 1 5 1505 1 1 11 LYS HB2 H -4.012 0.566 1.936 1.00 . A A . 11 LYS HB2 1 1 5 1506 1 1 11 LYS HB3 H -4.332 2.093 1.114 1.00 . A A . 11 LYS HB3 1 1 5 1507 1 1 11 LYS HD2 H -6.340 -0.772 -0.471 1.00 . A A . 11 LYS HD2 1 1 5 1508 1 1 11 LYS HD3 H -5.725 -0.859 1.179 1.00 . A A . 11 LYS HD3 1 1 5 1509 1 1 11 LYS HE2 H -7.821 0.553 0.869 1.00 . A A . 11 LYS HE2 1 1 5 1510 1 1 11 LYS HE3 H -6.476 1.362 1.674 1.00 . A A . 11 LYS HE3 1 1 5 1511 1 1 11 LYS HG2 H -4.714 1.041 -0.964 1.00 . A A . 11 LYS HG2 1 1 5 1512 1 1 11 LYS HG3 H -3.906 -0.449 -0.456 1.00 . A A . 11 LYS HG3 1 1 5 1513 1 1 11 LYS HZ1 H -7.061 1.554 -1.230 1.00 . A A . 11 LYS HZ1 1 1 5 1514 1 1 11 LYS HZ2 H -5.870 2.413 -0.375 1.00 . A A . 11 LYS HZ2 1 1 5 1515 1 1 11 LYS HZ3 H -7.516 2.715 -0.081 1.00 . A A . 11 LYS HZ3 1 1 5 1516 1 1 11 LYS N N -2.188 1.847 -0.597 1.00 . A A . 11 LYS N 1 1 5 1517 1 1 11 LYS NZ N -6.816 1.983 -0.317 1.00 . A A . 11 LYS NZ 1 1 5 1518 1 1 11 LYS O O -1.344 -0.516 1.945 1.00 . A A . 11 LYS O 1 1 5 1519 1 1 12 ASP C C 0.544 -1.968 0.287 1.00 . A A . 12 ASP C 1 1 5 1520 1 1 12 ASP CA C -0.866 -2.056 -0.292 1.00 . A A . 12 ASP CA 1 1 5 1521 1 1 12 ASP CB C -0.801 -2.601 -1.722 1.00 . A A . 12 ASP CB 1 1 5 1522 1 1 12 ASP CG C -0.615 -4.115 -1.697 1.00 . A A . 12 ASP CG 1 1 5 1523 1 1 12 ASP H H -1.812 -0.354 -1.132 1.00 . A A . 12 ASP H 1 1 5 1524 1 1 12 ASP HA H -1.450 -2.735 0.312 1.00 . A A . 12 ASP HA 1 1 5 1525 1 1 12 ASP HB2 H -1.722 -2.362 -2.238 1.00 . A A . 12 ASP HB2 1 1 5 1526 1 1 12 ASP HB3 H 0.034 -2.147 -2.242 1.00 . A A . 12 ASP HB3 1 1 5 1527 1 1 12 ASP N N -1.509 -0.748 -0.286 1.00 . A A . 12 ASP N 1 1 5 1528 1 1 12 ASP O O 0.857 -2.623 1.281 1.00 . A A . 12 ASP O 1 1 5 1529 1 1 12 ASP OD1 O 0.182 -4.607 -2.480 1.00 . A A . 12 ASP OD1 1 1 5 1530 1 1 12 ASP OD2 O -1.272 -4.759 -0.897 1.00 . A A . 12 ASP OD2 1 1 5 1531 1 1 13 ILE C C 2.807 -0.162 1.398 1.00 . A A . 13 ILE C 1 1 5 1532 1 1 13 ILE CA C 2.763 -0.996 0.121 1.00 . A A . 13 ILE CA 1 1 5 1533 1 1 13 ILE CB C 3.609 -0.318 -0.963 1.00 . A A . 13 ILE CB 1 1 5 1534 1 1 13 ILE CD1 C 2.269 0.028 -3.065 1.00 . A A . 13 ILE CD1 1 1 5 1535 1 1 13 ILE CG1 C 3.251 -0.901 -2.343 1.00 . A A . 13 ILE CG1 1 1 5 1536 1 1 13 ILE CG2 C 5.094 -0.562 -0.674 1.00 . A A . 13 ILE CG2 1 1 5 1537 1 1 13 ILE H H 1.084 -0.663 -1.130 1.00 . A A . 13 ILE H 1 1 5 1538 1 1 13 ILE HA H 3.178 -1.971 0.326 1.00 . A A . 13 ILE HA 1 1 5 1539 1 1 13 ILE HB H 3.416 0.746 -0.956 1.00 . A A . 13 ILE HB 1 1 5 1540 1 1 13 ILE HD11 H 1.577 0.449 -2.350 1.00 . A A . 13 ILE HD11 1 1 5 1541 1 1 13 ILE HD12 H 1.720 -0.535 -3.806 1.00 . A A . 13 ILE HD12 1 1 5 1542 1 1 13 ILE HD13 H 2.815 0.823 -3.549 1.00 . A A . 13 ILE HD13 1 1 5 1543 1 1 13 ILE HG12 H 4.150 -0.998 -2.939 1.00 . A A . 13 ILE HG12 1 1 5 1544 1 1 13 ILE HG13 H 2.796 -1.874 -2.219 1.00 . A A . 13 ILE HG13 1 1 5 1545 1 1 13 ILE HG21 H 5.311 -0.285 0.348 1.00 . A A . 13 ILE HG21 1 1 5 1546 1 1 13 ILE HG22 H 5.694 0.035 -1.344 1.00 . A A . 13 ILE HG22 1 1 5 1547 1 1 13 ILE HG23 H 5.322 -1.607 -0.820 1.00 . A A . 13 ILE HG23 1 1 5 1548 1 1 13 ILE N N 1.388 -1.158 -0.342 1.00 . A A . 13 ILE N 1 1 5 1549 1 1 13 ILE O O 3.477 -0.526 2.364 1.00 . A A . 13 ILE O 1 1 5 1550 1 1 14 ALA C C 1.592 1.076 3.795 1.00 . A A . 14 ALA C 1 1 5 1551 1 1 14 ALA CA C 2.058 1.836 2.557 1.00 . A A . 14 ALA CA 1 1 5 1552 1 1 14 ALA CB C 1.118 3.013 2.295 1.00 . A A . 14 ALA CB 1 1 5 1553 1 1 14 ALA H H 1.578 1.197 0.595 1.00 . A A . 14 ALA H 1 1 5 1554 1 1 14 ALA HA H 3.052 2.218 2.735 1.00 . A A . 14 ALA HA 1 1 5 1555 1 1 14 ALA HB1 H 1.296 3.787 3.027 1.00 . A A . 14 ALA HB1 1 1 5 1556 1 1 14 ALA HB2 H 0.094 2.679 2.367 1.00 . A A . 14 ALA HB2 1 1 5 1557 1 1 14 ALA HB3 H 1.300 3.406 1.305 1.00 . A A . 14 ALA HB3 1 1 5 1558 1 1 14 ALA N N 2.091 0.957 1.394 1.00 . A A . 14 ALA N 1 1 5 1559 1 1 14 ALA O O 1.762 1.542 4.921 1.00 . A A . 14 ALA O 1 1 5 1560 1 1 15 GLY C C 1.364 -2.164 4.864 1.00 . A A . 15 GLY C 1 1 5 1561 1 1 15 GLY CA C 0.507 -0.915 4.685 1.00 . A A . 15 GLY CA 1 1 5 1562 1 1 15 GLY H H 0.889 -0.416 2.659 1.00 . A A . 15 GLY H 1 1 5 1563 1 1 15 GLY HA2 H 0.530 -0.333 5.599 1.00 . A A . 15 GLY HA2 1 1 5 1564 1 1 15 GLY HA3 H -0.512 -1.214 4.476 1.00 . A A . 15 GLY HA3 1 1 5 1565 1 1 15 GLY N N 0.999 -0.096 3.579 1.00 . A A . 15 GLY N 1 1 5 1566 1 1 15 GLY O O 1.193 -2.910 5.827 1.00 . A A . 15 GLY O 1 1 5 1567 1 1 16 HIS C C 4.359 -3.275 4.903 1.00 . A A . 16 HIS C 1 1 5 1568 1 1 16 HIS CA C 3.161 -3.550 3.998 1.00 . A A . 16 HIS CA 1 1 5 1569 1 1 16 HIS CB C 3.647 -3.915 2.596 1.00 . A A . 16 HIS CB 1 1 5 1570 1 1 16 HIS CD2 C 5.127 -6.075 2.832 1.00 . A A . 16 HIS CD2 1 1 5 1571 1 1 16 HIS CE1 C 3.661 -7.535 2.188 1.00 . A A . 16 HIS CE1 1 1 5 1572 1 1 16 HIS CG C 3.979 -5.382 2.538 1.00 . A A . 16 HIS CG 1 1 5 1573 1 1 16 HIS H H 2.375 -1.756 3.185 1.00 . A A . 16 HIS H 1 1 5 1574 1 1 16 HIS HA H 2.609 -4.380 4.395 1.00 . A A . 16 HIS HA 1 1 5 1575 1 1 16 HIS HB2 H 2.873 -3.693 1.877 1.00 . A A . 16 HIS HB2 1 1 5 1576 1 1 16 HIS HB3 H 4.524 -3.341 2.367 1.00 . A A . 16 HIS HB3 1 1 5 1577 1 1 16 HIS HD2 H 6.048 -5.633 3.182 1.00 . A A . 16 HIS HD2 1 1 5 1578 1 1 16 HIS HE1 H 3.181 -8.466 1.925 1.00 . A A . 16 HIS HE1 1 1 5 1579 1 1 16 HIS HE2 H 5.568 -8.162 2.737 1.00 . A A . 16 HIS HE2 1 1 5 1580 1 1 16 HIS N N 2.285 -2.385 3.931 1.00 . A A . 16 HIS N 1 1 5 1581 1 1 16 HIS ND1 N 3.058 -6.333 2.129 1.00 . A A . 16 HIS ND1 1 1 5 1582 1 1 16 HIS NE2 N 4.923 -7.434 2.610 1.00 . A A . 16 HIS NE2 1 1 5 1583 1 1 16 HIS O O 4.577 -3.978 5.889 1.00 . A A . 16 HIS O 1 1 5 1584 1 1 17 LEU C C 5.929 -1.666 6.804 1.00 . A A . 17 LEU C 1 1 5 1585 1 1 17 LEU CA C 6.301 -1.888 5.340 1.00 . A A . 17 LEU CA 1 1 5 1586 1 1 17 LEU CB C 6.915 -0.614 4.763 1.00 . A A . 17 LEU CB 1 1 5 1587 1 1 17 LEU CD1 C 6.277 1.469 6.010 1.00 . A A . 17 LEU CD1 1 1 5 1588 1 1 17 LEU CD2 C 5.918 1.338 3.542 1.00 . A A . 17 LEU CD2 1 1 5 1589 1 1 17 LEU CG C 5.907 0.540 4.850 1.00 . A A . 17 LEU CG 1 1 5 1590 1 1 17 LEU H H 4.913 -1.723 3.765 1.00 . A A . 17 LEU H 1 1 5 1591 1 1 17 LEU HA H 7.026 -2.685 5.277 1.00 . A A . 17 LEU HA 1 1 5 1592 1 1 17 LEU HB2 H 7.793 -0.364 5.326 1.00 . A A . 17 LEU HB2 1 1 5 1593 1 1 17 LEU HB3 H 7.183 -0.783 3.727 1.00 . A A . 17 LEU HB3 1 1 5 1594 1 1 17 LEU HD11 H 7.271 1.862 5.854 1.00 . A A . 17 LEU HD11 1 1 5 1595 1 1 17 LEU HD12 H 6.251 0.915 6.937 1.00 . A A . 17 LEU HD12 1 1 5 1596 1 1 17 LEU HD13 H 5.571 2.284 6.057 1.00 . A A . 17 LEU HD13 1 1 5 1597 1 1 17 LEU HD21 H 6.939 1.525 3.243 1.00 . A A . 17 LEU HD21 1 1 5 1598 1 1 17 LEU HD22 H 5.408 2.278 3.689 1.00 . A A . 17 LEU HD22 1 1 5 1599 1 1 17 LEU HD23 H 5.416 0.773 2.771 1.00 . A A . 17 LEU HD23 1 1 5 1600 1 1 17 LEU HG H 4.923 0.138 5.018 1.00 . A A . 17 LEU HG 1 1 5 1601 1 1 17 LEU N N 5.131 -2.249 4.560 1.00 . A A . 17 LEU N 1 1 5 1602 1 1 17 LEU O O 6.719 -1.948 7.704 1.00 . A A . 17 LEU O 1 1 5 1603 1 1 18 ALA C C 4.259 -2.187 9.213 1.00 . A A . 18 ALA C 1 1 5 1604 1 1 18 ALA CA C 4.258 -0.902 8.391 1.00 . A A . 18 ALA CA 1 1 5 1605 1 1 18 ALA CB C 2.843 -0.319 8.357 1.00 . A A . 18 ALA CB 1 1 5 1606 1 1 18 ALA H H 4.135 -0.953 6.276 1.00 . A A . 18 ALA H 1 1 5 1607 1 1 18 ALA HA H 4.917 -0.186 8.858 1.00 . A A . 18 ALA HA 1 1 5 1608 1 1 18 ALA HB1 H 2.438 -0.297 9.358 1.00 . A A . 18 ALA HB1 1 1 5 1609 1 1 18 ALA HB2 H 2.216 -0.932 7.727 1.00 . A A . 18 ALA HB2 1 1 5 1610 1 1 18 ALA HB3 H 2.878 0.686 7.962 1.00 . A A . 18 ALA HB3 1 1 5 1611 1 1 18 ALA N N 4.722 -1.159 7.033 1.00 . A A . 18 ALA N 1 1 5 1612 1 1 18 ALA O O 4.752 -2.214 10.341 1.00 . A A . 18 ALA O 1 1 5 1613 1 1 19 SER C C 5.053 -5.055 9.610 1.00 . A A . 19 SER C 1 1 5 1614 1 1 19 SER CA C 3.646 -4.533 9.327 1.00 . A A . 19 SER CA 1 1 5 1615 1 1 19 SER CB C 2.878 -5.543 8.469 1.00 . A A . 19 SER CB 1 1 5 1616 1 1 19 SER H H 3.327 -3.171 7.740 1.00 . A A . 19 SER H 1 1 5 1617 1 1 19 SER HA H 3.125 -4.405 10.263 1.00 . A A . 19 SER HA 1 1 5 1618 1 1 19 SER HB2 H 2.866 -5.211 7.444 1.00 . A A . 19 SER HB2 1 1 5 1619 1 1 19 SER HB3 H 3.359 -6.509 8.525 1.00 . A A . 19 SER HB3 1 1 5 1620 1 1 19 SER HG H 1.037 -4.918 8.556 1.00 . A A . 19 SER HG 1 1 5 1621 1 1 19 SER N N 3.705 -3.250 8.640 1.00 . A A . 19 SER N 1 1 5 1622 1 1 19 SER O O 5.280 -5.753 10.599 1.00 . A A . 19 SER O 1 1 5 1623 1 1 19 SER OG O 1.540 -5.637 8.943 1.00 . A A . 19 SER OG 1 1 5 1624 1 1 20 LYS C C 7.945 -4.652 10.224 1.00 . A A . 20 LYS C 1 1 5 1625 1 1 20 LYS CA C 7.373 -5.151 8.900 1.00 . A A . 20 LYS CA 1 1 5 1626 1 1 20 LYS CB C 8.225 -4.632 7.746 1.00 . A A . 20 LYS CB 1 1 5 1627 1 1 20 LYS CD C 9.314 -6.771 6.990 1.00 . A A . 20 LYS CD 1 1 5 1628 1 1 20 LYS CE C 10.650 -7.319 6.479 1.00 . A A . 20 LYS CE 1 1 5 1629 1 1 20 LYS CG C 9.543 -5.416 7.674 1.00 . A A . 20 LYS CG 1 1 5 1630 1 1 20 LYS H H 5.753 -4.154 7.966 1.00 . A A . 20 LYS H 1 1 5 1631 1 1 20 LYS HA H 7.401 -6.221 8.891 1.00 . A A . 20 LYS HA 1 1 5 1632 1 1 20 LYS HB2 H 7.683 -4.743 6.819 1.00 . A A . 20 LYS HB2 1 1 5 1633 1 1 20 LYS HB3 H 8.439 -3.595 7.912 1.00 . A A . 20 LYS HB3 1 1 5 1634 1 1 20 LYS HD2 H 8.890 -7.465 7.699 1.00 . A A . 20 LYS HD2 1 1 5 1635 1 1 20 LYS HD3 H 8.638 -6.649 6.157 1.00 . A A . 20 LYS HD3 1 1 5 1636 1 1 20 LYS HE2 H 11.417 -7.149 7.220 1.00 . A A . 20 LYS HE2 1 1 5 1637 1 1 20 LYS HE3 H 10.556 -8.379 6.295 1.00 . A A . 20 LYS HE3 1 1 5 1638 1 1 20 LYS HG2 H 10.266 -4.846 7.109 1.00 . A A . 20 LYS HG2 1 1 5 1639 1 1 20 LYS HG3 H 9.918 -5.580 8.672 1.00 . A A . 20 LYS HG3 1 1 5 1640 1 1 20 LYS HZ1 H 11.870 -7.067 4.811 1.00 . A A . 20 LYS HZ1 1 1 5 1641 1 1 20 LYS HZ2 H 11.209 -5.621 5.410 1.00 . A A . 20 LYS HZ2 1 1 5 1642 1 1 20 LYS HZ3 H 10.237 -6.704 4.533 1.00 . A A . 20 LYS HZ3 1 1 5 1643 1 1 20 LYS N N 5.993 -4.711 8.736 1.00 . A A . 20 LYS N 1 1 5 1644 1 1 20 LYS NZ N 11.019 -6.626 5.213 1.00 . A A . 20 LYS NZ 1 1 5 1645 1 1 20 LYS O O 8.800 -5.302 10.825 1.00 . A A . 20 LYS O 1 1 5 1646 1 1 21 VAL C C 7.572 -3.819 13.102 1.00 . A A . 21 VAL C 1 1 5 1647 1 1 21 VAL CA C 7.941 -2.920 11.926 1.00 . A A . 21 VAL CA 1 1 5 1648 1 1 21 VAL CB C 7.328 -1.534 12.128 1.00 . A A . 21 VAL CB 1 1 5 1649 1 1 21 VAL CG1 C 7.757 -0.977 13.488 1.00 . A A . 21 VAL CG1 1 1 5 1650 1 1 21 VAL CG2 C 7.812 -0.597 11.020 1.00 . A A . 21 VAL CG2 1 1 5 1651 1 1 21 VAL H H 6.787 -3.021 10.151 1.00 . A A . 21 VAL H 1 1 5 1652 1 1 21 VAL HA H 9.015 -2.823 11.883 1.00 . A A . 21 VAL HA 1 1 5 1653 1 1 21 VAL HB H 6.250 -1.609 12.096 1.00 . A A . 21 VAL HB 1 1 5 1654 1 1 21 VAL HG11 H 8.818 -1.132 13.621 1.00 . A A . 21 VAL HG11 1 1 5 1655 1 1 21 VAL HG12 H 7.219 -1.488 14.273 1.00 . A A . 21 VAL HG12 1 1 5 1656 1 1 21 VAL HG13 H 7.540 0.079 13.530 1.00 . A A . 21 VAL HG13 1 1 5 1657 1 1 21 VAL HG21 H 8.890 -0.540 11.042 1.00 . A A . 21 VAL HG21 1 1 5 1658 1 1 21 VAL HG22 H 7.397 0.389 11.175 1.00 . A A . 21 VAL HG22 1 1 5 1659 1 1 21 VAL HG23 H 7.490 -0.976 10.062 1.00 . A A . 21 VAL HG23 1 1 5 1660 1 1 21 VAL N N 7.468 -3.495 10.672 1.00 . A A . 21 VAL N 1 1 5 1661 1 1 21 VAL O O 8.416 -4.145 13.936 1.00 . A A . 21 VAL O 1 1 5 1662 1 1 22 MET C C 6.603 -6.397 14.247 1.00 . A A . 22 MET C 1 1 5 1663 1 1 22 MET CA C 5.834 -5.080 14.239 1.00 . A A . 22 MET CA 1 1 5 1664 1 1 22 MET CB C 4.340 -5.360 14.069 1.00 . A A . 22 MET CB 1 1 5 1665 1 1 22 MET CE C 1.081 -3.008 14.406 1.00 . A A . 22 MET CE 1 1 5 1666 1 1 22 MET CG C 3.570 -4.038 14.070 1.00 . A A . 22 MET CG 1 1 5 1667 1 1 22 MET H H 5.676 -3.927 12.467 1.00 . A A . 22 MET H 1 1 5 1668 1 1 22 MET HA H 5.989 -4.578 15.182 1.00 . A A . 22 MET HA 1 1 5 1669 1 1 22 MET HB2 H 4.174 -5.873 13.130 1.00 . A A . 22 MET HB2 1 1 5 1670 1 1 22 MET HB3 H 3.993 -5.977 14.887 1.00 . A A . 22 MET HB3 1 1 5 1671 1 1 22 MET HE1 H 1.708 -2.127 14.409 1.00 . A A . 22 MET HE1 1 1 5 1672 1 1 22 MET HE2 H 0.926 -3.339 15.420 1.00 . A A . 22 MET HE2 1 1 5 1673 1 1 22 MET HE3 H 0.126 -2.776 13.956 1.00 . A A . 22 MET HE3 1 1 5 1674 1 1 22 MET HG2 H 3.524 -3.648 15.079 1.00 . A A . 22 MET HG2 1 1 5 1675 1 1 22 MET HG3 H 4.074 -3.328 13.428 1.00 . A A . 22 MET HG3 1 1 5 1676 1 1 22 MET N N 6.305 -4.218 13.161 1.00 . A A . 22 MET N 1 1 5 1677 1 1 22 MET O O 7.333 -6.694 15.193 1.00 . A A . 22 MET O 1 1 5 1678 1 1 22 MET SD S 1.890 -4.319 13.458 1.00 . A A . 22 MET SD 1 1 5 1679 1 1 23 ASN C C 8.600 -8.262 12.796 1.00 . A A . 23 ASN C 1 1 5 1680 1 1 23 ASN CA C 7.117 -8.466 13.086 1.00 . A A . 23 ASN CA 1 1 5 1681 1 1 23 ASN CB C 6.489 -9.306 11.972 1.00 . A A . 23 ASN CB 1 1 5 1682 1 1 23 ASN CG C 4.968 -9.242 12.066 1.00 . A A . 23 ASN CG 1 1 5 1683 1 1 23 ASN H H 5.839 -6.893 12.465 1.00 . A A . 23 ASN H 1 1 5 1684 1 1 23 ASN HA H 7.012 -8.995 14.021 1.00 . A A . 23 ASN HA 1 1 5 1685 1 1 23 ASN HB2 H 6.805 -8.923 11.012 1.00 . A A . 23 ASN HB2 1 1 5 1686 1 1 23 ASN HB3 H 6.810 -10.333 12.072 1.00 . A A . 23 ASN HB3 1 1 5 1687 1 1 23 ASN HD21 H 4.701 -9.223 10.099 1.00 . A A . 23 ASN HD21 1 1 5 1688 1 1 23 ASN HD22 H 3.280 -9.167 11.025 1.00 . A A . 23 ASN HD22 1 1 5 1689 1 1 23 ASN N N 6.433 -7.182 13.189 1.00 . A A . 23 ASN N 1 1 5 1690 1 1 23 ASN ND2 N 4.257 -9.208 10.973 1.00 . A A . 23 ASN ND2 1 1 5 1691 1 1 23 ASN O O 9.216 -9.062 12.092 1.00 . A A . 23 ASN O 1 1 5 1692 1 1 23 ASN OD1 O 4.413 -9.223 13.166 1.00 . A A . 23 ASN OD1 1 1 5 1693 1 1 24 NH2 HN1 H 8.719 -6.589 13.869 1.00 . A A . 24 NH2 HN1 1 1 5 1694 1 1 24 NH2 HN2 H 10.176 -7.091 13.120 1.00 . A A . 24 NH2 HN2 1 1 5 1695 1 1 24 NH2 N N 9.216 -7.228 13.303 1.00 . A A . 24 NH2 N 1 1 6 1696 1 1 1 GLY C C -10.201 1.498 -12.926 1.00 . A A . 1 GLY C 1 1 6 1697 1 1 1 GLY CA C -11.662 1.634 -12.511 1.00 . A A . 1 GLY CA 1 1 6 1698 1 1 1 GLY H1 H -11.219 -0.129 -11.493 1.00 . A A . 1 GLY H1 1 1 6 1699 1 1 1 GLY H2 H -12.764 -0.105 -12.200 1.00 . A A . 1 GLY H2 1 1 6 1700 1 1 1 GLY H3 H -12.460 0.785 -10.785 1.00 . A A . 1 GLY H3 1 1 6 1701 1 1 1 GLY HA2 H -12.286 1.679 -13.395 1.00 . A A . 1 GLY HA2 1 1 6 1702 1 1 1 GLY HA3 H -11.785 2.539 -11.931 1.00 . A A . 1 GLY HA3 1 1 6 1703 1 1 1 GLY N N -12.056 0.458 -11.686 1.00 . A A . 1 GLY N 1 1 6 1704 1 1 1 GLY O O -9.770 0.434 -13.372 1.00 . A A . 1 GLY O 1 1 6 1705 1 1 2 VAL C C -7.232 3.472 -12.201 1.00 . A A . 2 VAL C 1 1 6 1706 1 1 2 VAL CA C -8.030 2.574 -13.139 1.00 . A A . 2 VAL CA 1 1 6 1707 1 1 2 VAL CB C -7.858 3.058 -14.580 1.00 . A A . 2 VAL CB 1 1 6 1708 1 1 2 VAL CG1 C -6.435 2.757 -15.053 1.00 . A A . 2 VAL CG1 1 1 6 1709 1 1 2 VAL CG2 C -8.859 2.336 -15.484 1.00 . A A . 2 VAL CG2 1 1 6 1710 1 1 2 VAL H H -9.843 3.400 -12.416 1.00 . A A . 2 VAL H 1 1 6 1711 1 1 2 VAL HA H -7.651 1.565 -13.064 1.00 . A A . 2 VAL HA 1 1 6 1712 1 1 2 VAL HB H -8.033 4.124 -14.624 1.00 . A A . 2 VAL HB 1 1 6 1713 1 1 2 VAL HG11 H -6.252 3.266 -15.988 1.00 . A A . 2 VAL HG11 1 1 6 1714 1 1 2 VAL HG12 H -6.321 1.692 -15.195 1.00 . A A . 2 VAL HG12 1 1 6 1715 1 1 2 VAL HG13 H -5.729 3.100 -14.312 1.00 . A A . 2 VAL HG13 1 1 6 1716 1 1 2 VAL HG21 H -8.648 2.572 -16.517 1.00 . A A . 2 VAL HG21 1 1 6 1717 1 1 2 VAL HG22 H -9.862 2.656 -15.239 1.00 . A A . 2 VAL HG22 1 1 6 1718 1 1 2 VAL HG23 H -8.776 1.269 -15.335 1.00 . A A . 2 VAL HG23 1 1 6 1719 1 1 2 VAL N N -9.444 2.581 -12.777 1.00 . A A . 2 VAL N 1 1 6 1720 1 1 2 VAL O O -6.222 3.053 -11.634 1.00 . A A . 2 VAL O 1 1 6 1721 1 1 3 VAL C C -7.160 5.250 -9.708 1.00 . A A . 3 VAL C 1 1 6 1722 1 1 3 VAL CA C -7.010 5.659 -11.169 1.00 . A A . 3 VAL CA 1 1 6 1723 1 1 3 VAL CB C -7.585 7.055 -11.369 1.00 . A A . 3 VAL CB 1 1 6 1724 1 1 3 VAL CG1 C -6.686 8.085 -10.684 1.00 . A A . 3 VAL CG1 1 1 6 1725 1 1 3 VAL CG2 C -7.670 7.363 -12.866 1.00 . A A . 3 VAL CG2 1 1 6 1726 1 1 3 VAL H H -8.499 4.989 -12.519 1.00 . A A . 3 VAL H 1 1 6 1727 1 1 3 VAL HA H -5.969 5.681 -11.419 1.00 . A A . 3 VAL HA 1 1 6 1728 1 1 3 VAL HB H -8.566 7.093 -10.937 1.00 . A A . 3 VAL HB 1 1 6 1729 1 1 3 VAL HG11 H -6.711 7.931 -9.616 1.00 . A A . 3 VAL HG11 1 1 6 1730 1 1 3 VAL HG12 H -7.039 9.080 -10.913 1.00 . A A . 3 VAL HG12 1 1 6 1731 1 1 3 VAL HG13 H -5.673 7.972 -11.040 1.00 . A A . 3 VAL HG13 1 1 6 1732 1 1 3 VAL HG21 H -8.057 8.361 -13.007 1.00 . A A . 3 VAL HG21 1 1 6 1733 1 1 3 VAL HG22 H -8.326 6.651 -13.344 1.00 . A A . 3 VAL HG22 1 1 6 1734 1 1 3 VAL HG23 H -6.684 7.294 -13.303 1.00 . A A . 3 VAL HG23 1 1 6 1735 1 1 3 VAL N N -7.690 4.710 -12.041 1.00 . A A . 3 VAL N 1 1 6 1736 1 1 3 VAL O O -6.228 5.390 -8.915 1.00 . A A . 3 VAL O 1 1 6 1737 1 1 4 ASP C C -7.625 3.219 -7.574 1.00 . A A . 4 ASP C 1 1 6 1738 1 1 4 ASP CA C -8.598 4.317 -7.987 1.00 . A A . 4 ASP CA 1 1 6 1739 1 1 4 ASP CB C -10.034 3.803 -7.866 1.00 . A A . 4 ASP CB 1 1 6 1740 1 1 4 ASP CG C -10.322 3.396 -6.424 1.00 . A A . 4 ASP CG 1 1 6 1741 1 1 4 ASP H H -9.043 4.657 -10.031 1.00 . A A . 4 ASP H 1 1 6 1742 1 1 4 ASP HA H -8.475 5.163 -7.327 1.00 . A A . 4 ASP HA 1 1 6 1743 1 1 4 ASP HB2 H -10.721 4.585 -8.162 1.00 . A A . 4 ASP HB2 1 1 6 1744 1 1 4 ASP HB3 H -10.162 2.944 -8.512 1.00 . A A . 4 ASP HB3 1 1 6 1745 1 1 4 ASP N N -8.337 4.745 -9.357 1.00 . A A . 4 ASP N 1 1 6 1746 1 1 4 ASP O O -7.120 3.213 -6.451 1.00 . A A . 4 ASP O 1 1 6 1747 1 1 4 ASP OD1 O -10.460 2.210 -6.181 1.00 . A A . 4 ASP OD1 1 1 6 1748 1 1 4 ASP OD2 O -10.400 4.279 -5.585 1.00 . A A . 4 ASP OD2 1 1 6 1749 1 1 5 ILE C C -5.039 1.714 -7.968 1.00 . A A . 5 ILE C 1 1 6 1750 1 1 5 ILE CA C -6.451 1.190 -8.210 1.00 . A A . 5 ILE CA 1 1 6 1751 1 1 5 ILE CB C -6.439 0.209 -9.383 1.00 . A A . 5 ILE CB 1 1 6 1752 1 1 5 ILE CD1 C -7.894 -1.070 -10.963 1.00 . A A . 5 ILE CD1 1 1 6 1753 1 1 5 ILE CG1 C -7.864 -0.282 -9.652 1.00 . A A . 5 ILE CG1 1 1 6 1754 1 1 5 ILE CG2 C -5.546 -0.984 -9.043 1.00 . A A . 5 ILE CG2 1 1 6 1755 1 1 5 ILE H H -7.797 2.347 -9.368 1.00 . A A . 5 ILE H 1 1 6 1756 1 1 5 ILE HA H -6.788 0.670 -7.326 1.00 . A A . 5 ILE HA 1 1 6 1757 1 1 5 ILE HB H -6.055 0.706 -10.263 1.00 . A A . 5 ILE HB 1 1 6 1758 1 1 5 ILE HD11 H -7.663 -0.410 -11.785 1.00 . A A . 5 ILE HD11 1 1 6 1759 1 1 5 ILE HD12 H -8.876 -1.494 -11.106 1.00 . A A . 5 ILE HD12 1 1 6 1760 1 1 5 ILE HD13 H -7.162 -1.863 -10.922 1.00 . A A . 5 ILE HD13 1 1 6 1761 1 1 5 ILE HG12 H -8.183 -0.921 -8.839 1.00 . A A . 5 ILE HG12 1 1 6 1762 1 1 5 ILE HG13 H -8.528 0.567 -9.729 1.00 . A A . 5 ILE HG13 1 1 6 1763 1 1 5 ILE HG21 H -5.635 -1.734 -9.816 1.00 . A A . 5 ILE HG21 1 1 6 1764 1 1 5 ILE HG22 H -5.854 -1.406 -8.097 1.00 . A A . 5 ILE HG22 1 1 6 1765 1 1 5 ILE HG23 H -4.519 -0.658 -8.974 1.00 . A A . 5 ILE HG23 1 1 6 1766 1 1 5 ILE N N -7.366 2.291 -8.490 1.00 . A A . 5 ILE N 1 1 6 1767 1 1 5 ILE O O -4.292 1.163 -7.161 1.00 . A A . 5 ILE O 1 1 6 1768 1 1 6 LEU C C -3.209 4.010 -7.148 1.00 . A A . 6 LEU C 1 1 6 1769 1 1 6 LEU CA C -3.355 3.373 -8.528 1.00 . A A . 6 LEU CA 1 1 6 1770 1 1 6 LEU CB C -3.136 4.430 -9.620 1.00 . A A . 6 LEU CB 1 1 6 1771 1 1 6 LEU CD1 C -0.839 4.803 -8.681 1.00 . A A . 6 LEU CD1 1 1 6 1772 1 1 6 LEU CD2 C -1.149 3.258 -10.633 1.00 . A A . 6 LEU CD2 1 1 6 1773 1 1 6 LEU CG C -1.642 4.550 -9.960 1.00 . A A . 6 LEU CG 1 1 6 1774 1 1 6 LEU H H -5.319 3.179 -9.303 1.00 . A A . 6 LEU H 1 1 6 1775 1 1 6 LEU HA H -2.616 2.595 -8.633 1.00 . A A . 6 LEU HA 1 1 6 1776 1 1 6 LEU HB2 H -3.683 4.146 -10.506 1.00 . A A . 6 LEU HB2 1 1 6 1777 1 1 6 LEU HB3 H -3.498 5.387 -9.270 1.00 . A A . 6 LEU HB3 1 1 6 1778 1 1 6 LEU HD11 H -1.347 5.540 -8.076 1.00 . A A . 6 LEU HD11 1 1 6 1779 1 1 6 LEU HD12 H 0.144 5.167 -8.942 1.00 . A A . 6 LEU HD12 1 1 6 1780 1 1 6 LEU HD13 H -0.745 3.881 -8.126 1.00 . A A . 6 LEU HD13 1 1 6 1781 1 1 6 LEU HD21 H -0.394 3.504 -11.366 1.00 . A A . 6 LEU HD21 1 1 6 1782 1 1 6 LEU HD22 H -1.974 2.763 -11.122 1.00 . A A . 6 LEU HD22 1 1 6 1783 1 1 6 LEU HD23 H -0.723 2.600 -9.890 1.00 . A A . 6 LEU HD23 1 1 6 1784 1 1 6 LEU HG H -1.500 5.382 -10.636 1.00 . A A . 6 LEU HG 1 1 6 1785 1 1 6 LEU N N -4.681 2.782 -8.674 1.00 . A A . 6 LEU N 1 1 6 1786 1 1 6 LEU O O -2.289 3.686 -6.398 1.00 . A A . 6 LEU O 1 1 6 1787 1 1 7 LYS C C -4.249 4.562 -4.405 1.00 . A A . 7 LYS C 1 1 6 1788 1 1 7 LYS CA C -4.097 5.582 -5.530 1.00 . A A . 7 LYS CA 1 1 6 1789 1 1 7 LYS CB C -5.223 6.607 -5.472 1.00 . A A . 7 LYS CB 1 1 6 1790 1 1 7 LYS CD C -4.868 7.341 -3.075 1.00 . A A . 7 LYS CD 1 1 6 1791 1 1 7 LYS CE C -3.438 7.282 -2.523 1.00 . A A . 7 LYS CE 1 1 6 1792 1 1 7 LYS CG C -4.846 7.781 -4.552 1.00 . A A . 7 LYS CG 1 1 6 1793 1 1 7 LYS H H -4.843 5.128 -7.452 1.00 . A A . 7 LYS H 1 1 6 1794 1 1 7 LYS HA H -3.164 6.089 -5.419 1.00 . A A . 7 LYS HA 1 1 6 1795 1 1 7 LYS HB2 H -5.416 6.981 -6.466 1.00 . A A . 7 LYS HB2 1 1 6 1796 1 1 7 LYS HB3 H -6.099 6.129 -5.101 1.00 . A A . 7 LYS HB3 1 1 6 1797 1 1 7 LYS HD2 H -5.441 8.052 -2.499 1.00 . A A . 7 LYS HD2 1 1 6 1798 1 1 7 LYS HD3 H -5.322 6.366 -2.989 1.00 . A A . 7 LYS HD3 1 1 6 1799 1 1 7 LYS HE2 H -3.422 6.680 -1.627 1.00 . A A . 7 LYS HE2 1 1 6 1800 1 1 7 LYS HE3 H -2.782 6.845 -3.260 1.00 . A A . 7 LYS HE3 1 1 6 1801 1 1 7 LYS HG2 H -3.860 8.140 -4.813 1.00 . A A . 7 LYS HG2 1 1 6 1802 1 1 7 LYS HG3 H -5.560 8.580 -4.693 1.00 . A A . 7 LYS HG3 1 1 6 1803 1 1 7 LYS HZ1 H -1.989 8.776 -2.508 1.00 . A A . 7 LYS HZ1 1 1 6 1804 1 1 7 LYS HZ2 H -3.041 8.818 -1.175 1.00 . A A . 7 LYS HZ2 1 1 6 1805 1 1 7 LYS HZ3 H -3.572 9.353 -2.698 1.00 . A A . 7 LYS HZ3 1 1 6 1806 1 1 7 LYS N N -4.127 4.912 -6.819 1.00 . A A . 7 LYS N 1 1 6 1807 1 1 7 LYS NZ N -2.975 8.662 -2.202 1.00 . A A . 7 LYS NZ 1 1 6 1808 1 1 7 LYS O O -3.657 4.707 -3.336 1.00 . A A . 7 LYS O 1 1 6 1809 1 1 8 GLY C C -4.052 1.580 -3.546 1.00 . A A . 8 GLY C 1 1 6 1810 1 1 8 GLY CA C -5.270 2.490 -3.666 1.00 . A A . 8 GLY CA 1 1 6 1811 1 1 8 GLY H H -5.491 3.467 -5.526 1.00 . A A . 8 GLY H 1 1 6 1812 1 1 8 GLY HA2 H -5.464 2.953 -2.708 1.00 . A A . 8 GLY HA2 1 1 6 1813 1 1 8 GLY HA3 H -6.126 1.897 -3.959 1.00 . A A . 8 GLY HA3 1 1 6 1814 1 1 8 GLY N N -5.046 3.529 -4.657 1.00 . A A . 8 GLY N 1 1 6 1815 1 1 8 GLY O O -3.714 1.120 -2.457 1.00 . A A . 8 GLY O 1 1 6 1816 1 1 9 ALA C C -1.105 1.064 -3.828 1.00 . A A . 9 ALA C 1 1 6 1817 1 1 9 ALA CA C -2.218 0.464 -4.683 1.00 . A A . 9 ALA CA 1 1 6 1818 1 1 9 ALA CB C -1.718 0.279 -6.117 1.00 . A A . 9 ALA CB 1 1 6 1819 1 1 9 ALA H H -3.712 1.717 -5.515 1.00 . A A . 9 ALA H 1 1 6 1820 1 1 9 ALA HA H -2.486 -0.502 -4.281 1.00 . A A . 9 ALA HA 1 1 6 1821 1 1 9 ALA HB1 H -1.559 1.246 -6.570 1.00 . A A . 9 ALA HB1 1 1 6 1822 1 1 9 ALA HB2 H -2.454 -0.270 -6.686 1.00 . A A . 9 ALA HB2 1 1 6 1823 1 1 9 ALA HB3 H -0.789 -0.272 -6.106 1.00 . A A . 9 ALA HB3 1 1 6 1824 1 1 9 ALA N N -3.397 1.323 -4.675 1.00 . A A . 9 ALA N 1 1 6 1825 1 1 9 ALA O O -0.293 0.341 -3.252 1.00 . A A . 9 ALA O 1 1 6 1826 1 1 10 ALA C C -0.108 2.651 -1.508 1.00 . A A . 10 ALA C 1 1 6 1827 1 1 10 ALA CA C -0.051 3.079 -2.972 1.00 . A A . 10 ALA CA 1 1 6 1828 1 1 10 ALA CB C -0.252 4.592 -3.068 1.00 . A A . 10 ALA CB 1 1 6 1829 1 1 10 ALA H H -1.743 2.916 -4.238 1.00 . A A . 10 ALA H 1 1 6 1830 1 1 10 ALA HA H 0.921 2.832 -3.370 1.00 . A A . 10 ALA HA 1 1 6 1831 1 1 10 ALA HB1 H -0.318 4.880 -4.107 1.00 . A A . 10 ALA HB1 1 1 6 1832 1 1 10 ALA HB2 H 0.584 5.096 -2.608 1.00 . A A . 10 ALA HB2 1 1 6 1833 1 1 10 ALA HB3 H -1.163 4.868 -2.560 1.00 . A A . 10 ALA HB3 1 1 6 1834 1 1 10 ALA N N -1.072 2.391 -3.754 1.00 . A A . 10 ALA N 1 1 6 1835 1 1 10 ALA O O 0.899 2.698 -0.799 1.00 . A A . 10 ALA O 1 1 6 1836 1 1 11 LYS C C -0.663 0.533 0.597 1.00 . A A . 11 LYS C 1 1 6 1837 1 1 11 LYS CA C -1.458 1.808 0.327 1.00 . A A . 11 LYS CA 1 1 6 1838 1 1 11 LYS CB C -2.945 1.574 0.625 1.00 . A A . 11 LYS CB 1 1 6 1839 1 1 11 LYS CD C -4.862 0.061 0.069 1.00 . A A . 11 LYS CD 1 1 6 1840 1 1 11 LYS CE C -5.249 -1.342 -0.403 1.00 . A A . 11 LYS CE 1 1 6 1841 1 1 11 LYS CG C -3.342 0.145 0.234 1.00 . A A . 11 LYS CG 1 1 6 1842 1 1 11 LYS H H -2.057 2.221 -1.665 1.00 . A A . 11 LYS H 1 1 6 1843 1 1 11 LYS HA H -1.093 2.589 0.978 1.00 . A A . 11 LYS HA 1 1 6 1844 1 1 11 LYS HB2 H -3.126 1.720 1.680 1.00 . A A . 11 LYS HB2 1 1 6 1845 1 1 11 LYS HB3 H -3.538 2.278 0.059 1.00 . A A . 11 LYS HB3 1 1 6 1846 1 1 11 LYS HD2 H -5.339 0.267 1.017 1.00 . A A . 11 LYS HD2 1 1 6 1847 1 1 11 LYS HD3 H -5.186 0.787 -0.661 1.00 . A A . 11 LYS HD3 1 1 6 1848 1 1 11 LYS HE2 H -4.566 -1.664 -1.175 1.00 . A A . 11 LYS HE2 1 1 6 1849 1 1 11 LYS HE3 H -5.201 -2.028 0.430 1.00 . A A . 11 LYS HE3 1 1 6 1850 1 1 11 LYS HG2 H -2.862 -0.120 -0.698 1.00 . A A . 11 LYS HG2 1 1 6 1851 1 1 11 LYS HG3 H -3.029 -0.539 1.012 1.00 . A A . 11 LYS HG3 1 1 6 1852 1 1 11 LYS HZ1 H -7.276 -0.886 -0.249 1.00 . A A . 11 LYS HZ1 1 1 6 1853 1 1 11 LYS HZ2 H -6.946 -2.290 -1.148 1.00 . A A . 11 LYS HZ2 1 1 6 1854 1 1 11 LYS HZ3 H -6.656 -0.759 -1.824 1.00 . A A . 11 LYS HZ3 1 1 6 1855 1 1 11 LYS N N -1.288 2.237 -1.057 1.00 . A A . 11 LYS N 1 1 6 1856 1 1 11 LYS NZ N -6.636 -1.318 -0.947 1.00 . A A . 11 LYS NZ 1 1 6 1857 1 1 11 LYS O O -0.246 0.277 1.727 1.00 . A A . 11 LYS O 1 1 6 1858 1 1 12 ASP C C 1.683 -1.246 0.244 1.00 . A A . 12 ASP C 1 1 6 1859 1 1 12 ASP CA C 0.287 -1.511 -0.308 1.00 . A A . 12 ASP CA 1 1 6 1860 1 1 12 ASP CB C 0.397 -2.206 -1.667 1.00 . A A . 12 ASP CB 1 1 6 1861 1 1 12 ASP CG C 0.957 -3.612 -1.486 1.00 . A A . 12 ASP CG 1 1 6 1862 1 1 12 ASP H H -0.814 -0.010 -1.323 1.00 . A A . 12 ASP H 1 1 6 1863 1 1 12 ASP HA H -0.242 -2.160 0.372 1.00 . A A . 12 ASP HA 1 1 6 1864 1 1 12 ASP HB2 H -0.585 -2.266 -2.119 1.00 . A A . 12 ASP HB2 1 1 6 1865 1 1 12 ASP HB3 H 1.058 -1.637 -2.308 1.00 . A A . 12 ASP HB3 1 1 6 1866 1 1 12 ASP N N -0.458 -0.264 -0.446 1.00 . A A . 12 ASP N 1 1 6 1867 1 1 12 ASP O O 2.048 -1.754 1.305 1.00 . A A . 12 ASP O 1 1 6 1868 1 1 12 ASP OD1 O 1.151 -4.284 -2.486 1.00 . A A . 12 ASP OD1 1 1 6 1869 1 1 12 ASP OD2 O 1.185 -3.997 -0.352 1.00 . A A . 12 ASP OD2 1 1 6 1870 1 1 13 ILE C C 3.803 0.548 1.314 1.00 . A A . 13 ILE C 1 1 6 1871 1 1 13 ILE CA C 3.818 -0.127 -0.054 1.00 . A A . 13 ILE CA 1 1 6 1872 1 1 13 ILE CB C 4.487 0.801 -1.074 1.00 . A A . 13 ILE CB 1 1 6 1873 1 1 13 ILE CD1 C 3.447 0.612 -3.357 1.00 . A A . 13 ILE CD1 1 1 6 1874 1 1 13 ILE CG1 C 4.567 0.101 -2.444 1.00 . A A . 13 ILE CG1 1 1 6 1875 1 1 13 ILE CG2 C 5.898 1.146 -0.590 1.00 . A A . 13 ILE CG2 1 1 6 1876 1 1 13 ILE H H 2.118 -0.075 -1.319 1.00 . A A . 13 ILE H 1 1 6 1877 1 1 13 ILE HA H 4.391 -1.040 0.013 1.00 . A A . 13 ILE HA 1 1 6 1878 1 1 13 ILE HB H 3.909 1.711 -1.162 1.00 . A A . 13 ILE HB 1 1 6 1879 1 1 13 ILE HD11 H 2.540 0.734 -2.786 1.00 . A A . 13 ILE HD11 1 1 6 1880 1 1 13 ILE HD12 H 3.278 -0.100 -4.152 1.00 . A A . 13 ILE HD12 1 1 6 1881 1 1 13 ILE HD13 H 3.735 1.563 -3.782 1.00 . A A . 13 ILE HD13 1 1 6 1882 1 1 13 ILE HG12 H 5.524 0.313 -2.903 1.00 . A A . 13 ILE HG12 1 1 6 1883 1 1 13 ILE HG13 H 4.460 -0.968 -2.314 1.00 . A A . 13 ILE HG13 1 1 6 1884 1 1 13 ILE HG21 H 6.398 0.245 -0.265 1.00 . A A . 13 ILE HG21 1 1 6 1885 1 1 13 ILE HG22 H 5.836 1.842 0.233 1.00 . A A . 13 ILE HG22 1 1 6 1886 1 1 13 ILE HG23 H 6.456 1.595 -1.399 1.00 . A A . 13 ILE HG23 1 1 6 1887 1 1 13 ILE N N 2.462 -0.450 -0.482 1.00 . A A . 13 ILE N 1 1 6 1888 1 1 13 ILE O O 4.530 0.146 2.223 1.00 . A A . 13 ILE O 1 1 6 1889 1 1 14 ALA C C 2.355 1.389 3.818 1.00 . A A . 14 ALA C 1 1 6 1890 1 1 14 ALA CA C 2.875 2.302 2.713 1.00 . A A . 14 ALA CA 1 1 6 1891 1 1 14 ALA CB C 1.937 3.499 2.554 1.00 . A A . 14 ALA CB 1 1 6 1892 1 1 14 ALA H H 2.421 1.854 0.693 1.00 . A A . 14 ALA H 1 1 6 1893 1 1 14 ALA HA H 3.855 2.662 2.989 1.00 . A A . 14 ALA HA 1 1 6 1894 1 1 14 ALA HB1 H 1.934 4.078 3.466 1.00 . A A . 14 ALA HB1 1 1 6 1895 1 1 14 ALA HB2 H 0.936 3.148 2.348 1.00 . A A . 14 ALA HB2 1 1 6 1896 1 1 14 ALA HB3 H 2.277 4.117 1.737 1.00 . A A . 14 ALA HB3 1 1 6 1897 1 1 14 ALA N N 2.975 1.577 1.452 1.00 . A A . 14 ALA N 1 1 6 1898 1 1 14 ALA O O 2.635 1.603 4.998 1.00 . A A . 14 ALA O 1 1 6 1899 1 1 15 GLY C C 1.923 -1.806 4.532 1.00 . A A . 15 GLY C 1 1 6 1900 1 1 15 GLY CA C 1.037 -0.573 4.396 1.00 . A A . 15 GLY CA 1 1 6 1901 1 1 15 GLY H H 1.403 0.249 2.476 1.00 . A A . 15 GLY H 1 1 6 1902 1 1 15 GLY HA2 H 0.953 -0.086 5.362 1.00 . A A . 15 GLY HA2 1 1 6 1903 1 1 15 GLY HA3 H 0.054 -0.881 4.064 1.00 . A A . 15 GLY HA3 1 1 6 1904 1 1 15 GLY N N 1.594 0.369 3.430 1.00 . A A . 15 GLY N 1 1 6 1905 1 1 15 GLY O O 1.607 -2.729 5.281 1.00 . A A . 15 GLY O 1 1 6 1906 1 1 16 HIS C C 4.890 -2.828 5.053 1.00 . A A . 16 HIS C 1 1 6 1907 1 1 16 HIS CA C 3.959 -2.943 3.849 1.00 . A A . 16 HIS CA 1 1 6 1908 1 1 16 HIS CB C 4.782 -2.997 2.565 1.00 . A A . 16 HIS CB 1 1 6 1909 1 1 16 HIS CD2 C 4.885 -5.336 1.368 1.00 . A A . 16 HIS CD2 1 1 6 1910 1 1 16 HIS CE1 C 6.396 -6.263 2.616 1.00 . A A . 16 HIS CE1 1 1 6 1911 1 1 16 HIS CG C 5.245 -4.407 2.313 1.00 . A A . 16 HIS CG 1 1 6 1912 1 1 16 HIS H H 3.236 -1.051 3.221 1.00 . A A . 16 HIS H 1 1 6 1913 1 1 16 HIS HA H 3.395 -3.853 3.933 1.00 . A A . 16 HIS HA 1 1 6 1914 1 1 16 HIS HB2 H 4.178 -2.663 1.734 1.00 . A A . 16 HIS HB2 1 1 6 1915 1 1 16 HIS HB3 H 5.636 -2.355 2.668 1.00 . A A . 16 HIS HB3 1 1 6 1916 1 1 16 HIS HD2 H 4.150 -5.182 0.592 1.00 . A A . 16 HIS HD2 1 1 6 1917 1 1 16 HIS HE1 H 7.092 -6.975 3.032 1.00 . A A . 16 HIS HE1 1 1 6 1918 1 1 16 HIS HE2 H 5.562 -7.333 1.037 1.00 . A A . 16 HIS HE2 1 1 6 1919 1 1 16 HIS N N 3.035 -1.815 3.803 1.00 . A A . 16 HIS N 1 1 6 1920 1 1 16 HIS ND1 N 6.209 -5.020 3.098 1.00 . A A . 16 HIS ND1 1 1 6 1921 1 1 16 HIS NE2 N 5.613 -6.507 1.561 1.00 . A A . 16 HIS NE2 1 1 6 1922 1 1 16 HIS O O 4.992 -3.751 5.862 1.00 . A A . 16 HIS O 1 1 6 1923 1 1 17 LEU C C 5.767 -1.573 7.603 1.00 . A A . 17 LEU C 1 1 6 1924 1 1 17 LEU CA C 6.488 -1.461 6.263 1.00 . A A . 17 LEU CA 1 1 6 1925 1 1 17 LEU CB C 7.105 -0.070 6.122 1.00 . A A . 17 LEU CB 1 1 6 1926 1 1 17 LEU CD1 C 5.950 1.693 7.485 1.00 . A A . 17 LEU CD1 1 1 6 1927 1 1 17 LEU CD2 C 6.284 2.036 5.034 1.00 . A A . 17 LEU CD2 1 1 6 1928 1 1 17 LEU CG C 6.000 0.996 6.122 1.00 . A A . 17 LEU CG 1 1 6 1929 1 1 17 LEU H H 5.451 -0.990 4.492 1.00 . A A . 17 LEU H 1 1 6 1930 1 1 17 LEU HA H 7.275 -2.197 6.224 1.00 . A A . 17 LEU HA 1 1 6 1931 1 1 17 LEU HB2 H 7.766 0.104 6.947 1.00 . A A . 17 LEU HB2 1 1 6 1932 1 1 17 LEU HB3 H 7.658 -0.017 5.192 1.00 . A A . 17 LEU HB3 1 1 6 1933 1 1 17 LEU HD11 H 6.843 2.286 7.619 1.00 . A A . 17 LEU HD11 1 1 6 1934 1 1 17 LEU HD12 H 5.890 0.951 8.267 1.00 . A A . 17 LEU HD12 1 1 6 1935 1 1 17 LEU HD13 H 5.083 2.334 7.530 1.00 . A A . 17 LEU HD13 1 1 6 1936 1 1 17 LEU HD21 H 6.251 1.561 4.064 1.00 . A A . 17 LEU HD21 1 1 6 1937 1 1 17 LEU HD22 H 7.263 2.465 5.192 1.00 . A A . 17 LEU HD22 1 1 6 1938 1 1 17 LEU HD23 H 5.539 2.817 5.079 1.00 . A A . 17 LEU HD23 1 1 6 1939 1 1 17 LEU HG H 5.051 0.525 5.931 1.00 . A A . 17 LEU HG 1 1 6 1940 1 1 17 LEU N N 5.569 -1.691 5.163 1.00 . A A . 17 LEU N 1 1 6 1941 1 1 17 LEU O O 6.330 -2.062 8.582 1.00 . A A . 17 LEU O 1 1 6 1942 1 1 18 ALA C C 3.699 -2.592 9.421 1.00 . A A . 18 ALA C 1 1 6 1943 1 1 18 ALA CA C 3.732 -1.171 8.866 1.00 . A A . 18 ALA CA 1 1 6 1944 1 1 18 ALA CB C 2.305 -0.695 8.593 1.00 . A A . 18 ALA CB 1 1 6 1945 1 1 18 ALA H H 4.121 -0.737 6.829 1.00 . A A . 18 ALA H 1 1 6 1946 1 1 18 ALA HA H 4.181 -0.520 9.601 1.00 . A A . 18 ALA HA 1 1 6 1947 1 1 18 ALA HB1 H 2.322 0.342 8.295 1.00 . A A . 18 ALA HB1 1 1 6 1948 1 1 18 ALA HB2 H 1.711 -0.802 9.489 1.00 . A A . 18 ALA HB2 1 1 6 1949 1 1 18 ALA HB3 H 1.872 -1.290 7.802 1.00 . A A . 18 ALA HB3 1 1 6 1950 1 1 18 ALA N N 4.519 -1.117 7.640 1.00 . A A . 18 ALA N 1 1 6 1951 1 1 18 ALA O O 3.989 -2.818 10.595 1.00 . A A . 18 ALA O 1 1 6 1952 1 1 19 SER C C 4.653 -5.448 9.393 1.00 . A A . 19 SER C 1 1 6 1953 1 1 19 SER CA C 3.272 -4.942 8.981 1.00 . A A . 19 SER CA 1 1 6 1954 1 1 19 SER CB C 2.723 -5.795 7.834 1.00 . A A . 19 SER CB 1 1 6 1955 1 1 19 SER H H 3.121 -3.309 7.644 1.00 . A A . 19 SER H 1 1 6 1956 1 1 19 SER HA H 2.605 -5.023 9.824 1.00 . A A . 19 SER HA 1 1 6 1957 1 1 19 SER HB2 H 2.817 -5.256 6.906 1.00 . A A . 19 SER HB2 1 1 6 1958 1 1 19 SER HB3 H 3.283 -6.719 7.767 1.00 . A A . 19 SER HB3 1 1 6 1959 1 1 19 SER HG H 0.900 -5.241 8.226 1.00 . A A . 19 SER HG 1 1 6 1960 1 1 19 SER N N 3.342 -3.547 8.567 1.00 . A A . 19 SER N 1 1 6 1961 1 1 19 SER O O 4.773 -6.330 10.243 1.00 . A A . 19 SER O 1 1 6 1962 1 1 19 SER OG O 1.350 -6.075 8.073 1.00 . A A . 19 SER OG 1 1 6 1963 1 1 20 LYS C C 7.367 -5.058 10.568 1.00 . A A . 20 LYS C 1 1 6 1964 1 1 20 LYS CA C 7.057 -5.287 9.090 1.00 . A A . 20 LYS CA 1 1 6 1965 1 1 20 LYS CB C 8.039 -4.495 8.230 1.00 . A A . 20 LYS CB 1 1 6 1966 1 1 20 LYS CD C 9.332 -6.233 6.963 1.00 . A A . 20 LYS CD 1 1 6 1967 1 1 20 LYS CE C 10.690 -6.924 6.831 1.00 . A A . 20 LYS CE 1 1 6 1968 1 1 20 LYS CG C 9.375 -5.245 8.133 1.00 . A A . 20 LYS CG 1 1 6 1969 1 1 20 LYS H H 5.534 -4.187 8.112 1.00 . A A . 20 LYS H 1 1 6 1970 1 1 20 LYS HA H 7.172 -6.329 8.870 1.00 . A A . 20 LYS HA 1 1 6 1971 1 1 20 LYS HB2 H 7.623 -4.361 7.241 1.00 . A A . 20 LYS HB2 1 1 6 1972 1 1 20 LYS HB3 H 8.202 -3.536 8.680 1.00 . A A . 20 LYS HB3 1 1 6 1973 1 1 20 LYS HD2 H 8.567 -6.973 7.143 1.00 . A A . 20 LYS HD2 1 1 6 1974 1 1 20 LYS HD3 H 9.112 -5.701 6.050 1.00 . A A . 20 LYS HD3 1 1 6 1975 1 1 20 LYS HE2 H 11.463 -6.181 6.705 1.00 . A A . 20 LYS HE2 1 1 6 1976 1 1 20 LYS HE3 H 10.888 -7.502 7.721 1.00 . A A . 20 LYS HE3 1 1 6 1977 1 1 20 LYS HG2 H 10.174 -4.535 7.973 1.00 . A A . 20 LYS HG2 1 1 6 1978 1 1 20 LYS HG3 H 9.555 -5.785 9.051 1.00 . A A . 20 LYS HG3 1 1 6 1979 1 1 20 LYS HZ1 H 10.928 -7.289 4.794 1.00 . A A . 20 LYS HZ1 1 1 6 1980 1 1 20 LYS HZ2 H 9.721 -8.231 5.531 1.00 . A A . 20 LYS HZ2 1 1 6 1981 1 1 20 LYS HZ3 H 11.360 -8.597 5.786 1.00 . A A . 20 LYS HZ3 1 1 6 1982 1 1 20 LYS N N 5.690 -4.885 8.782 1.00 . A A . 20 LYS N 1 1 6 1983 1 1 20 LYS NZ N 10.673 -7.829 5.645 1.00 . A A . 20 LYS NZ 1 1 6 1984 1 1 20 LYS O O 8.075 -5.848 11.191 1.00 . A A . 20 LYS O 1 1 6 1985 1 1 21 VAL C C 6.482 -4.737 13.422 1.00 . A A . 21 VAL C 1 1 6 1986 1 1 21 VAL CA C 7.064 -3.651 12.523 1.00 . A A . 21 VAL CA 1 1 6 1987 1 1 21 VAL CB C 6.420 -2.306 12.862 1.00 . A A . 21 VAL CB 1 1 6 1988 1 1 21 VAL CG1 C 6.762 -1.926 14.304 1.00 . A A . 21 VAL CG1 1 1 6 1989 1 1 21 VAL CG2 C 6.954 -1.232 11.913 1.00 . A A . 21 VAL CG2 1 1 6 1990 1 1 21 VAL H H 6.279 -3.378 10.572 1.00 . A A . 21 VAL H 1 1 6 1991 1 1 21 VAL HA H 8.127 -3.582 12.698 1.00 . A A . 21 VAL HA 1 1 6 1992 1 1 21 VAL HB H 5.348 -2.383 12.757 1.00 . A A . 21 VAL HB 1 1 6 1993 1 1 21 VAL HG11 H 6.432 -0.916 14.498 1.00 . A A . 21 VAL HG11 1 1 6 1994 1 1 21 VAL HG12 H 7.831 -1.990 14.448 1.00 . A A . 21 VAL HG12 1 1 6 1995 1 1 21 VAL HG13 H 6.267 -2.604 14.983 1.00 . A A . 21 VAL HG13 1 1 6 1996 1 1 21 VAL HG21 H 8.033 -1.264 11.904 1.00 . A A . 21 VAL HG21 1 1 6 1997 1 1 21 VAL HG22 H 6.625 -0.260 12.247 1.00 . A A . 21 VAL HG22 1 1 6 1998 1 1 21 VAL HG23 H 6.580 -1.415 10.915 1.00 . A A . 21 VAL HG23 1 1 6 1999 1 1 21 VAL N N 6.835 -3.972 11.119 1.00 . A A . 21 VAL N 1 1 6 2000 1 1 21 VAL O O 7.093 -5.123 14.419 1.00 . A A . 21 VAL O 1 1 6 2001 1 1 22 MET C C 5.274 -7.628 13.562 1.00 . A A . 22 MET C 1 1 6 2002 1 1 22 MET CA C 4.646 -6.268 13.846 1.00 . A A . 22 MET CA 1 1 6 2003 1 1 22 MET CB C 3.154 -6.313 13.511 1.00 . A A . 22 MET CB 1 1 6 2004 1 1 22 MET CE C 0.699 -3.279 12.490 1.00 . A A . 22 MET CE 1 1 6 2005 1 1 22 MET CG C 2.568 -4.903 13.604 1.00 . A A . 22 MET CG 1 1 6 2006 1 1 22 MET H H 4.861 -4.880 12.259 1.00 . A A . 22 MET H 1 1 6 2007 1 1 22 MET HA H 4.761 -6.042 14.896 1.00 . A A . 22 MET HA 1 1 6 2008 1 1 22 MET HB2 H 3.021 -6.694 12.506 1.00 . A A . 22 MET HB2 1 1 6 2009 1 1 22 MET HB3 H 2.645 -6.959 14.215 1.00 . A A . 22 MET HB3 1 1 6 2010 1 1 22 MET HE1 H 1.028 -3.288 11.460 1.00 . A A . 22 MET HE1 1 1 6 2011 1 1 22 MET HE2 H 1.328 -2.613 13.059 1.00 . A A . 22 MET HE2 1 1 6 2012 1 1 22 MET HE3 H -0.325 -2.937 12.544 1.00 . A A . 22 MET HE3 1 1 6 2013 1 1 22 MET HG2 H 2.681 -4.531 14.615 1.00 . A A . 22 MET HG2 1 1 6 2014 1 1 22 MET HG3 H 3.091 -4.250 12.916 1.00 . A A . 22 MET HG3 1 1 6 2015 1 1 22 MET N N 5.300 -5.226 13.063 1.00 . A A . 22 MET N 1 1 6 2016 1 1 22 MET O O 5.663 -8.348 14.481 1.00 . A A . 22 MET O 1 1 6 2017 1 1 22 MET SD S 0.811 -4.951 13.172 1.00 . A A . 22 MET SD 1 1 6 2018 1 1 23 ASN C C 7.270 -9.490 12.627 1.00 . A A . 23 ASN C 1 1 6 2019 1 1 23 ASN CA C 5.957 -9.251 11.889 1.00 . A A . 23 ASN CA 1 1 6 2020 1 1 23 ASN CB C 6.208 -9.267 10.380 1.00 . A A . 23 ASN CB 1 1 6 2021 1 1 23 ASN CG C 4.891 -9.106 9.629 1.00 . A A . 23 ASN CG 1 1 6 2022 1 1 23 ASN H H 5.047 -7.359 11.591 1.00 . A A . 23 ASN H 1 1 6 2023 1 1 23 ASN HA H 5.266 -10.043 12.136 1.00 . A A . 23 ASN HA 1 1 6 2024 1 1 23 ASN HB2 H 6.872 -8.456 10.119 1.00 . A A . 23 ASN HB2 1 1 6 2025 1 1 23 ASN HB3 H 6.663 -10.207 10.102 1.00 . A A . 23 ASN HB3 1 1 6 2026 1 1 23 ASN HD21 H 5.689 -9.471 7.849 1.00 . A A . 23 ASN HD21 1 1 6 2027 1 1 23 ASN HD22 H 4.022 -9.154 7.845 1.00 . A A . 23 ASN HD22 1 1 6 2028 1 1 23 ASN N N 5.372 -7.974 12.282 1.00 . A A . 23 ASN N 1 1 6 2029 1 1 23 ASN ND2 N 4.865 -9.256 8.333 1.00 . A A . 23 ASN ND2 1 1 6 2030 1 1 23 ASN O O 7.469 -10.550 13.221 1.00 . A A . 23 ASN O 1 1 6 2031 1 1 23 ASN OD1 O 3.856 -8.835 10.241 1.00 . A A . 23 ASN OD1 1 1 6 2032 1 1 24 NH2 HN1 H 8.021 -7.710 12.151 1.00 . A A . 24 NH2 HN1 1 1 6 2033 1 1 24 NH2 HN2 H 9.037 -8.708 13.104 1.00 . A A . 24 NH2 HN2 1 1 6 2034 1 1 24 NH2 N N 8.185 -8.559 12.627 1.00 . A A . 24 NH2 N 1 1 7 2035 1 1 1 GLY C C -9.237 3.851 -13.490 1.00 . A A . 1 GLY C 1 1 7 2036 1 1 1 GLY CA C -10.602 4.429 -13.846 1.00 . A A . 1 GLY CA 1 1 7 2037 1 1 1 GLY H1 H -10.765 4.510 -11.771 1.00 . A A . 1 GLY H1 1 1 7 2038 1 1 1 GLY H2 H -12.252 4.342 -12.578 1.00 . A A . 1 GLY H2 1 1 7 2039 1 1 1 GLY H3 H -11.450 5.840 -12.572 1.00 . A A . 1 GLY H3 1 1 7 2040 1 1 1 GLY HA2 H -11.180 3.686 -14.383 1.00 . A A . 1 GLY HA2 1 1 7 2041 1 1 1 GLY HA3 H -10.468 5.305 -14.466 1.00 . A A . 1 GLY HA3 1 1 7 2042 1 1 1 GLY N N -11.321 4.809 -12.598 1.00 . A A . 1 GLY N 1 1 7 2043 1 1 1 GLY O O -9.043 2.635 -13.508 1.00 . A A . 1 GLY O 1 1 7 2044 1 1 2 VAL C C -6.581 4.794 -11.411 1.00 . A A . 2 VAL C 1 1 7 2045 1 1 2 VAL CA C -6.941 4.304 -12.810 1.00 . A A . 2 VAL CA 1 1 7 2046 1 1 2 VAL CB C -5.935 4.856 -13.819 1.00 . A A . 2 VAL CB 1 1 7 2047 1 1 2 VAL CG1 C -4.521 4.433 -13.416 1.00 . A A . 2 VAL CG1 1 1 7 2048 1 1 2 VAL CG2 C -6.254 4.306 -15.211 1.00 . A A . 2 VAL CG2 1 1 7 2049 1 1 2 VAL H H -8.506 5.687 -13.175 1.00 . A A . 2 VAL H 1 1 7 2050 1 1 2 VAL HA H -6.894 3.225 -12.826 1.00 . A A . 2 VAL HA 1 1 7 2051 1 1 2 VAL HB H -5.996 5.936 -13.834 1.00 . A A . 2 VAL HB 1 1 7 2052 1 1 2 VAL HG11 H -4.205 5.003 -12.555 1.00 . A A . 2 VAL HG11 1 1 7 2053 1 1 2 VAL HG12 H -3.843 4.613 -14.237 1.00 . A A . 2 VAL HG12 1 1 7 2054 1 1 2 VAL HG13 H -4.518 3.381 -13.171 1.00 . A A . 2 VAL HG13 1 1 7 2055 1 1 2 VAL HG21 H -6.144 3.231 -15.206 1.00 . A A . 2 VAL HG21 1 1 7 2056 1 1 2 VAL HG22 H -5.573 4.733 -15.932 1.00 . A A . 2 VAL HG22 1 1 7 2057 1 1 2 VAL HG23 H -7.269 4.564 -15.476 1.00 . A A . 2 VAL HG23 1 1 7 2058 1 1 2 VAL N N -8.292 4.732 -13.169 1.00 . A A . 2 VAL N 1 1 7 2059 1 1 2 VAL O O -5.754 4.191 -10.726 1.00 . A A . 2 VAL O 1 1 7 2060 1 1 3 VAL C C -7.379 5.481 -8.579 1.00 . A A . 3 VAL C 1 1 7 2061 1 1 3 VAL CA C -6.943 6.451 -9.673 1.00 . A A . 3 VAL CA 1 1 7 2062 1 1 3 VAL CB C -7.686 7.774 -9.514 1.00 . A A . 3 VAL CB 1 1 7 2063 1 1 3 VAL CG1 C -7.018 8.613 -8.422 1.00 . A A . 3 VAL CG1 1 1 7 2064 1 1 3 VAL CG2 C -7.653 8.541 -10.838 1.00 . A A . 3 VAL CG2 1 1 7 2065 1 1 3 VAL H H -7.856 6.327 -11.583 1.00 . A A . 3 VAL H 1 1 7 2066 1 1 3 VAL HA H -5.892 6.635 -9.577 1.00 . A A . 3 VAL HA 1 1 7 2067 1 1 3 VAL HB H -8.703 7.574 -9.238 1.00 . A A . 3 VAL HB 1 1 7 2068 1 1 3 VAL HG11 H -6.076 8.996 -8.787 1.00 . A A . 3 VAL HG11 1 1 7 2069 1 1 3 VAL HG12 H -6.843 7.998 -7.552 1.00 . A A . 3 VAL HG12 1 1 7 2070 1 1 3 VAL HG13 H -7.663 9.438 -8.156 1.00 . A A . 3 VAL HG13 1 1 7 2071 1 1 3 VAL HG21 H -6.651 8.524 -11.239 1.00 . A A . 3 VAL HG21 1 1 7 2072 1 1 3 VAL HG22 H -7.955 9.564 -10.669 1.00 . A A . 3 VAL HG22 1 1 7 2073 1 1 3 VAL HG23 H -8.329 8.077 -11.539 1.00 . A A . 3 VAL HG23 1 1 7 2074 1 1 3 VAL N N -7.207 5.889 -10.993 1.00 . A A . 3 VAL N 1 1 7 2075 1 1 3 VAL O O -6.612 5.177 -7.665 1.00 . A A . 3 VAL O 1 1 7 2076 1 1 4 ASP C C -8.194 2.883 -7.512 1.00 . A A . 4 ASP C 1 1 7 2077 1 1 4 ASP CA C -9.141 4.066 -7.691 1.00 . A A . 4 ASP CA 1 1 7 2078 1 1 4 ASP CB C -10.515 3.559 -8.132 1.00 . A A . 4 ASP CB 1 1 7 2079 1 1 4 ASP CG C -11.074 2.596 -7.091 1.00 . A A . 4 ASP CG 1 1 7 2080 1 1 4 ASP H H -9.180 5.279 -9.428 1.00 . A A . 4 ASP H 1 1 7 2081 1 1 4 ASP HA H -9.246 4.577 -6.745 1.00 . A A . 4 ASP HA 1 1 7 2082 1 1 4 ASP HB2 H -11.188 4.400 -8.242 1.00 . A A . 4 ASP HB2 1 1 7 2083 1 1 4 ASP HB3 H -10.419 3.045 -9.080 1.00 . A A . 4 ASP HB3 1 1 7 2084 1 1 4 ASP N N -8.614 5.001 -8.678 1.00 . A A . 4 ASP N 1 1 7 2085 1 1 4 ASP O O -8.030 2.369 -6.405 1.00 . A A . 4 ASP O 1 1 7 2086 1 1 4 ASP OD1 O -12.140 2.052 -7.328 1.00 . A A . 4 ASP OD1 1 1 7 2087 1 1 4 ASP OD2 O -10.428 2.417 -6.072 1.00 . A A . 4 ASP OD2 1 1 7 2088 1 1 5 ILE C C -5.307 1.768 -7.972 1.00 . A A . 5 ILE C 1 1 7 2089 1 1 5 ILE CA C -6.646 1.333 -8.559 1.00 . A A . 5 ILE CA 1 1 7 2090 1 1 5 ILE CB C -6.429 0.773 -9.966 1.00 . A A . 5 ILE CB 1 1 7 2091 1 1 5 ILE CD1 C -7.564 0.087 -12.085 1.00 . A A . 5 ILE CD1 1 1 7 2092 1 1 5 ILE CG1 C -7.784 0.570 -10.649 1.00 . A A . 5 ILE CG1 1 1 7 2093 1 1 5 ILE CG2 C -5.700 -0.569 -9.874 1.00 . A A . 5 ILE CG2 1 1 7 2094 1 1 5 ILE H H -7.744 2.905 -9.462 1.00 . A A . 5 ILE H 1 1 7 2095 1 1 5 ILE HA H -7.067 0.557 -7.936 1.00 . A A . 5 ILE HA 1 1 7 2096 1 1 5 ILE HB H -5.834 1.468 -10.542 1.00 . A A . 5 ILE HB 1 1 7 2097 1 1 5 ILE HD11 H -8.507 0.086 -12.613 1.00 . A A . 5 ILE HD11 1 1 7 2098 1 1 5 ILE HD12 H -7.159 -0.914 -12.069 1.00 . A A . 5 ILE HD12 1 1 7 2099 1 1 5 ILE HD13 H -6.872 0.748 -12.585 1.00 . A A . 5 ILE HD13 1 1 7 2100 1 1 5 ILE HG12 H -8.355 -0.169 -10.104 1.00 . A A . 5 ILE HG12 1 1 7 2101 1 1 5 ILE HG13 H -8.324 1.505 -10.666 1.00 . A A . 5 ILE HG13 1 1 7 2102 1 1 5 ILE HG21 H -5.495 -0.936 -10.869 1.00 . A A . 5 ILE HG21 1 1 7 2103 1 1 5 ILE HG22 H -6.320 -1.279 -9.349 1.00 . A A . 5 ILE HG22 1 1 7 2104 1 1 5 ILE HG23 H -4.771 -0.438 -9.341 1.00 . A A . 5 ILE HG23 1 1 7 2105 1 1 5 ILE N N -7.574 2.457 -8.607 1.00 . A A . 5 ILE N 1 1 7 2106 1 1 5 ILE O O -4.859 1.231 -6.958 1.00 . A A . 5 ILE O 1 1 7 2107 1 1 6 LEU C C -3.426 3.491 -6.641 1.00 . A A . 6 LEU C 1 1 7 2108 1 1 6 LEU CA C -3.386 3.244 -8.148 1.00 . A A . 6 LEU CA 1 1 7 2109 1 1 6 LEU CB C -3.039 4.549 -8.882 1.00 . A A . 6 LEU CB 1 1 7 2110 1 1 6 LEU CD1 C -0.832 4.547 -7.683 1.00 . A A . 6 LEU CD1 1 1 7 2111 1 1 6 LEU CD2 C -0.988 3.606 -10.004 1.00 . A A . 6 LEU CD2 1 1 7 2112 1 1 6 LEU CG C -1.517 4.687 -9.047 1.00 . A A . 6 LEU CG 1 1 7 2113 1 1 6 LEU H H -5.080 3.134 -9.417 1.00 . A A . 6 LEU H 1 1 7 2114 1 1 6 LEU HA H -2.630 2.506 -8.360 1.00 . A A . 6 LEU HA 1 1 7 2115 1 1 6 LEU HB2 H -3.505 4.542 -9.856 1.00 . A A . 6 LEU HB2 1 1 7 2116 1 1 6 LEU HB3 H -3.413 5.390 -8.316 1.00 . A A . 6 LEU HB3 1 1 7 2117 1 1 6 LEU HD11 H -0.765 3.503 -7.417 1.00 . A A . 6 LEU HD11 1 1 7 2118 1 1 6 LEU HD12 H -1.406 5.074 -6.935 1.00 . A A . 6 LEU HD12 1 1 7 2119 1 1 6 LEU HD13 H 0.161 4.969 -7.736 1.00 . A A . 6 LEU HD13 1 1 7 2120 1 1 6 LEU HD21 H -1.776 3.294 -10.674 1.00 . A A . 6 LEU HD21 1 1 7 2121 1 1 6 LEU HD22 H -0.641 2.754 -9.436 1.00 . A A . 6 LEU HD22 1 1 7 2122 1 1 6 LEU HD23 H -0.168 4.009 -10.579 1.00 . A A . 6 LEU HD23 1 1 7 2123 1 1 6 LEU HG H -1.295 5.663 -9.454 1.00 . A A . 6 LEU HG 1 1 7 2124 1 1 6 LEU N N -4.674 2.744 -8.614 1.00 . A A . 6 LEU N 1 1 7 2125 1 1 6 LEU O O -2.498 3.127 -5.918 1.00 . A A . 6 LEU O 1 1 7 2126 1 1 7 LYS C C -4.675 3.087 -3.957 1.00 . A A . 7 LYS C 1 1 7 2127 1 1 7 LYS CA C -4.661 4.386 -4.757 1.00 . A A . 7 LYS CA 1 1 7 2128 1 1 7 LYS CB C -5.957 5.157 -4.535 1.00 . A A . 7 LYS CB 1 1 7 2129 1 1 7 LYS CD C -5.879 5.212 -2.006 1.00 . A A . 7 LYS CD 1 1 7 2130 1 1 7 LYS CE C -4.492 5.197 -1.353 1.00 . A A . 7 LYS CE 1 1 7 2131 1 1 7 LYS CG C -5.849 6.059 -3.293 1.00 . A A . 7 LYS CG 1 1 7 2132 1 1 7 LYS H H -5.220 4.365 -6.794 1.00 . A A . 7 LYS H 1 1 7 2133 1 1 7 LYS HA H -3.844 4.990 -4.430 1.00 . A A . 7 LYS HA 1 1 7 2134 1 1 7 LYS HB2 H -6.162 5.767 -5.403 1.00 . A A . 7 LYS HB2 1 1 7 2135 1 1 7 LYS HB3 H -6.750 4.458 -4.402 1.00 . A A . 7 LYS HB3 1 1 7 2136 1 1 7 LYS HD2 H -6.591 5.639 -1.313 1.00 . A A . 7 LYS HD2 1 1 7 2137 1 1 7 LYS HD3 H -6.175 4.200 -2.236 1.00 . A A . 7 LYS HD3 1 1 7 2138 1 1 7 LYS HE2 H -4.429 4.370 -0.662 1.00 . A A . 7 LYS HE2 1 1 7 2139 1 1 7 LYS HE3 H -3.735 5.089 -2.115 1.00 . A A . 7 LYS HE3 1 1 7 2140 1 1 7 LYS HG2 H -4.929 6.623 -3.338 1.00 . A A . 7 LYS HG2 1 1 7 2141 1 1 7 LYS HG3 H -6.683 6.746 -3.285 1.00 . A A . 7 LYS HG3 1 1 7 2142 1 1 7 LYS HZ1 H -4.540 6.350 0.379 1.00 . A A . 7 LYS HZ1 1 1 7 2143 1 1 7 LYS HZ2 H -4.864 7.222 -1.042 1.00 . A A . 7 LYS HZ2 1 1 7 2144 1 1 7 LYS HZ3 H -3.274 6.745 -0.678 1.00 . A A . 7 LYS HZ3 1 1 7 2145 1 1 7 LYS N N -4.508 4.103 -6.175 1.00 . A A . 7 LYS N 1 1 7 2146 1 1 7 LYS NZ N -4.276 6.475 -0.617 1.00 . A A . 7 LYS NZ 1 1 7 2147 1 1 7 LYS O O -3.952 2.945 -2.971 1.00 . A A . 7 LYS O 1 1 7 2148 1 1 8 GLY C C -4.290 0.081 -3.816 1.00 . A A . 8 GLY C 1 1 7 2149 1 1 8 GLY CA C -5.600 0.857 -3.712 1.00 . A A . 8 GLY CA 1 1 7 2150 1 1 8 GLY H H -6.051 2.309 -5.183 1.00 . A A . 8 GLY H 1 1 7 2151 1 1 8 GLY HA2 H -5.831 1.027 -2.668 1.00 . A A . 8 GLY HA2 1 1 7 2152 1 1 8 GLY HA3 H -6.391 0.275 -4.165 1.00 . A A . 8 GLY HA3 1 1 7 2153 1 1 8 GLY N N -5.500 2.141 -4.391 1.00 . A A . 8 GLY N 1 1 7 2154 1 1 8 GLY O O -3.987 -0.757 -2.969 1.00 . A A . 8 GLY O 1 1 7 2155 1 1 9 ALA C C -1.190 0.210 -4.096 1.00 . A A . 9 ALA C 1 1 7 2156 1 1 9 ALA CA C -2.245 -0.315 -5.066 1.00 . A A . 9 ALA CA 1 1 7 2157 1 1 9 ALA CB C -1.768 -0.104 -6.504 1.00 . A A . 9 ALA CB 1 1 7 2158 1 1 9 ALA H H -3.813 1.044 -5.507 1.00 . A A . 9 ALA H 1 1 7 2159 1 1 9 ALA HA H -2.382 -1.371 -4.896 1.00 . A A . 9 ALA HA 1 1 7 2160 1 1 9 ALA HB1 H -2.583 -0.293 -7.186 1.00 . A A . 9 ALA HB1 1 1 7 2161 1 1 9 ALA HB2 H -0.956 -0.785 -6.717 1.00 . A A . 9 ALA HB2 1 1 7 2162 1 1 9 ALA HB3 H -1.425 0.913 -6.624 1.00 . A A . 9 ALA HB3 1 1 7 2163 1 1 9 ALA N N -3.519 0.366 -4.862 1.00 . A A . 9 ALA N 1 1 7 2164 1 1 9 ALA O O -0.278 -0.518 -3.703 1.00 . A A . 9 ALA O 1 1 7 2165 1 1 10 ALA C C -0.408 1.428 -1.432 1.00 . A A . 10 ALA C 1 1 7 2166 1 1 10 ALA CA C -0.360 2.095 -2.804 1.00 . A A . 10 ALA CA 1 1 7 2167 1 1 10 ALA CB C -0.669 3.586 -2.659 1.00 . A A . 10 ALA CB 1 1 7 2168 1 1 10 ALA H H -2.058 2.012 -4.072 1.00 . A A . 10 ALA H 1 1 7 2169 1 1 10 ALA HA H 0.633 1.985 -3.210 1.00 . A A . 10 ALA HA 1 1 7 2170 1 1 10 ALA HB1 H -0.762 4.031 -3.637 1.00 . A A . 10 ALA HB1 1 1 7 2171 1 1 10 ALA HB2 H 0.132 4.068 -2.118 1.00 . A A . 10 ALA HB2 1 1 7 2172 1 1 10 ALA HB3 H -1.595 3.711 -2.117 1.00 . A A . 10 ALA HB3 1 1 7 2173 1 1 10 ALA N N -1.315 1.478 -3.721 1.00 . A A . 10 ALA N 1 1 7 2174 1 1 10 ALA O O 0.628 1.083 -0.865 1.00 . A A . 10 ALA O 1 1 7 2175 1 1 11 LYS C C -0.988 -0.667 0.497 1.00 . A A . 11 LYS C 1 1 7 2176 1 1 11 LYS CA C -1.776 0.639 0.414 1.00 . A A . 11 LYS CA 1 1 7 2177 1 1 11 LYS CB C -3.263 0.375 0.690 1.00 . A A . 11 LYS CB 1 1 7 2178 1 1 11 LYS CD C -5.188 -1.046 -0.049 1.00 . A A . 11 LYS CD 1 1 7 2179 1 1 11 LYS CE C -5.872 -0.763 1.291 1.00 . A A . 11 LYS CE 1 1 7 2180 1 1 11 LYS CG C -3.668 -0.991 0.126 1.00 . A A . 11 LYS CG 1 1 7 2181 1 1 11 LYS H H -2.406 1.556 -1.391 1.00 . A A . 11 LYS H 1 1 7 2182 1 1 11 LYS HA H -1.399 1.318 1.165 1.00 . A A . 11 LYS HA 1 1 7 2183 1 1 11 LYS HB2 H -3.438 0.389 1.755 1.00 . A A . 11 LYS HB2 1 1 7 2184 1 1 11 LYS HB3 H -3.855 1.146 0.219 1.00 . A A . 11 LYS HB3 1 1 7 2185 1 1 11 LYS HD2 H -5.493 -0.304 -0.773 1.00 . A A . 11 LYS HD2 1 1 7 2186 1 1 11 LYS HD3 H -5.475 -2.027 -0.397 1.00 . A A . 11 LYS HD3 1 1 7 2187 1 1 11 LYS HE2 H -6.868 -1.180 1.282 1.00 . A A . 11 LYS HE2 1 1 7 2188 1 1 11 LYS HE3 H -5.302 -1.213 2.091 1.00 . A A . 11 LYS HE3 1 1 7 2189 1 1 11 LYS HG2 H -3.189 -1.142 -0.834 1.00 . A A . 11 LYS HG2 1 1 7 2190 1 1 11 LYS HG3 H -3.359 -1.769 0.812 1.00 . A A . 11 LYS HG3 1 1 7 2191 1 1 11 LYS HZ1 H -6.943 0.980 1.680 1.00 . A A . 11 LYS HZ1 1 1 7 2192 1 1 11 LYS HZ2 H -5.603 1.203 0.659 1.00 . A A . 11 LYS HZ2 1 1 7 2193 1 1 11 LYS HZ3 H -5.376 0.974 2.327 1.00 . A A . 11 LYS HZ3 1 1 7 2194 1 1 11 LYS N N -1.614 1.257 -0.898 1.00 . A A . 11 LYS N 1 1 7 2195 1 1 11 LYS NZ N -5.954 0.710 1.506 1.00 . A A . 11 LYS NZ 1 1 7 2196 1 1 11 LYS O O -0.571 -1.083 1.579 1.00 . A A . 11 LYS O 1 1 7 2197 1 1 12 ASP C C 1.350 -2.392 -0.122 1.00 . A A . 12 ASP C 1 1 7 2198 1 1 12 ASP CA C -0.056 -2.569 -0.690 1.00 . A A . 12 ASP CA 1 1 7 2199 1 1 12 ASP CB C 0.036 -3.072 -2.132 1.00 . A A . 12 ASP CB 1 1 7 2200 1 1 12 ASP CG C 0.605 -4.487 -2.153 1.00 . A A . 12 ASP CG 1 1 7 2201 1 1 12 ASP H H -1.148 -0.932 -1.480 1.00 . A A . 12 ASP H 1 1 7 2202 1 1 12 ASP HA H -0.583 -3.302 -0.099 1.00 . A A . 12 ASP HA 1 1 7 2203 1 1 12 ASP HB2 H -0.952 -3.075 -2.574 1.00 . A A . 12 ASP HB2 1 1 7 2204 1 1 12 ASP HB3 H 0.685 -2.418 -2.700 1.00 . A A . 12 ASP HB3 1 1 7 2205 1 1 12 ASP N N -0.791 -1.310 -0.649 1.00 . A A . 12 ASP N 1 1 7 2206 1 1 12 ASP O O 1.722 -3.047 0.851 1.00 . A A . 12 ASP O 1 1 7 2207 1 1 12 ASP OD1 O -0.093 -5.378 -2.612 1.00 . A A . 12 ASP OD1 1 1 7 2208 1 1 12 ASP OD2 O 1.729 -4.660 -1.712 1.00 . A A . 12 ASP OD2 1 1 7 2209 1 1 13 ILE C C 3.483 -0.527 1.059 1.00 . A A . 13 ILE C 1 1 7 2210 1 1 13 ILE CA C 3.487 -1.253 -0.283 1.00 . A A . 13 ILE CA 1 1 7 2211 1 1 13 ILE CB C 4.238 -0.410 -1.318 1.00 . A A . 13 ILE CB 1 1 7 2212 1 1 13 ILE CD1 C 3.227 -0.605 -3.612 1.00 . A A . 13 ILE CD1 1 1 7 2213 1 1 13 ILE CG1 C 4.293 -1.160 -2.662 1.00 . A A . 13 ILE CG1 1 1 7 2214 1 1 13 ILE CG2 C 5.662 -0.148 -0.817 1.00 . A A . 13 ILE CG2 1 1 7 2215 1 1 13 ILE H H 1.775 -1.013 -1.507 1.00 . A A . 13 ILE H 1 1 7 2216 1 1 13 ILE HA H 3.998 -2.197 -0.167 1.00 . A A . 13 ILE HA 1 1 7 2217 1 1 13 ILE HB H 3.728 0.535 -1.447 1.00 . A A . 13 ILE HB 1 1 7 2218 1 1 13 ILE HD11 H 3.495 0.399 -3.905 1.00 . A A . 13 ILE HD11 1 1 7 2219 1 1 13 ILE HD12 H 2.271 -0.591 -3.113 1.00 . A A . 13 ILE HD12 1 1 7 2220 1 1 13 ILE HD13 H 3.166 -1.231 -4.489 1.00 . A A . 13 ILE HD13 1 1 7 2221 1 1 13 ILE HG12 H 5.270 -1.031 -3.110 1.00 . A A . 13 ILE HG12 1 1 7 2222 1 1 13 ILE HG13 H 4.110 -2.214 -2.498 1.00 . A A . 13 ILE HG13 1 1 7 2223 1 1 13 ILE HG21 H 5.632 0.550 0.006 1.00 . A A . 13 ILE HG21 1 1 7 2224 1 1 13 ILE HG22 H 6.255 0.266 -1.619 1.00 . A A . 13 ILE HG22 1 1 7 2225 1 1 13 ILE HG23 H 6.102 -1.077 -0.486 1.00 . A A . 13 ILE HG23 1 1 7 2226 1 1 13 ILE N N 2.124 -1.505 -0.737 1.00 . A A . 13 ILE N 1 1 7 2227 1 1 13 ILE O O 4.161 -0.939 2.000 1.00 . A A . 13 ILE O 1 1 7 2228 1 1 14 ALA C C 2.146 0.458 3.525 1.00 . A A . 14 ALA C 1 1 7 2229 1 1 14 ALA CA C 2.631 1.330 2.371 1.00 . A A . 14 ALA CA 1 1 7 2230 1 1 14 ALA CB C 1.674 2.508 2.182 1.00 . A A . 14 ALA CB 1 1 7 2231 1 1 14 ALA H H 2.197 0.836 0.356 1.00 . A A . 14 ALA H 1 1 7 2232 1 1 14 ALA HA H 3.612 1.714 2.609 1.00 . A A . 14 ALA HA 1 1 7 2233 1 1 14 ALA HB1 H 2.130 3.243 1.533 1.00 . A A . 14 ALA HB1 1 1 7 2234 1 1 14 ALA HB2 H 1.462 2.957 3.140 1.00 . A A . 14 ALA HB2 1 1 7 2235 1 1 14 ALA HB3 H 0.755 2.157 1.736 1.00 . A A . 14 ALA HB3 1 1 7 2236 1 1 14 ALA N N 2.715 0.554 1.139 1.00 . A A . 14 ALA N 1 1 7 2237 1 1 14 ALA O O 2.525 0.671 4.677 1.00 . A A . 14 ALA O 1 1 7 2238 1 1 15 GLY C C 1.688 -2.623 4.429 1.00 . A A . 15 GLY C 1 1 7 2239 1 1 15 GLY CA C 0.773 -1.420 4.228 1.00 . A A . 15 GLY CA 1 1 7 2240 1 1 15 GLY H H 1.038 -0.643 2.274 1.00 . A A . 15 GLY H 1 1 7 2241 1 1 15 GLY HA2 H 0.683 -0.882 5.164 1.00 . A A . 15 GLY HA2 1 1 7 2242 1 1 15 GLY HA3 H -0.204 -1.767 3.918 1.00 . A A . 15 GLY HA3 1 1 7 2243 1 1 15 GLY N N 1.306 -0.521 3.209 1.00 . A A . 15 GLY N 1 1 7 2244 1 1 15 GLY O O 1.470 -3.437 5.326 1.00 . A A . 15 GLY O 1 1 7 2245 1 1 16 HIS C C 4.748 -3.541 4.696 1.00 . A A . 16 HIS C 1 1 7 2246 1 1 16 HIS CA C 3.651 -3.843 3.679 1.00 . A A . 16 HIS CA 1 1 7 2247 1 1 16 HIS CB C 4.277 -4.111 2.318 1.00 . A A . 16 HIS CB 1 1 7 2248 1 1 16 HIS CD2 C 6.653 -5.216 2.519 1.00 . A A . 16 HIS CD2 1 1 7 2249 1 1 16 HIS CE1 C 6.031 -7.291 2.580 1.00 . A A . 16 HIS CE1 1 1 7 2250 1 1 16 HIS CG C 5.283 -5.223 2.434 1.00 . A A . 16 HIS CG 1 1 7 2251 1 1 16 HIS H H 2.834 -2.055 2.889 1.00 . A A . 16 HIS H 1 1 7 2252 1 1 16 HIS HA H 3.122 -4.723 3.988 1.00 . A A . 16 HIS HA 1 1 7 2253 1 1 16 HIS HB2 H 3.507 -4.391 1.615 1.00 . A A . 16 HIS HB2 1 1 7 2254 1 1 16 HIS HB3 H 4.766 -3.220 1.977 1.00 . A A . 16 HIS HB3 1 1 7 2255 1 1 16 HIS HD2 H 7.271 -4.331 2.516 1.00 . A A . 16 HIS HD2 1 1 7 2256 1 1 16 HIS HE1 H 6.047 -8.370 2.634 1.00 . A A . 16 HIS HE1 1 1 7 2257 1 1 16 HIS HE2 H 8.055 -6.817 2.685 1.00 . A A . 16 HIS HE2 1 1 7 2258 1 1 16 HIS N N 2.711 -2.732 3.586 1.00 . A A . 16 HIS N 1 1 7 2259 1 1 16 HIS ND1 N 4.908 -6.557 2.474 1.00 . A A . 16 HIS ND1 1 1 7 2260 1 1 16 HIS NE2 N 7.124 -6.523 2.612 1.00 . A A . 16 HIS NE2 1 1 7 2261 1 1 16 HIS O O 4.844 -4.196 5.734 1.00 . A A . 16 HIS O 1 1 7 2262 1 1 17 LEU C C 6.137 -1.865 6.675 1.00 . A A . 17 LEU C 1 1 7 2263 1 1 17 LEU CA C 6.659 -2.164 5.274 1.00 . A A . 17 LEU CA 1 1 7 2264 1 1 17 LEU CB C 7.356 -0.927 4.707 1.00 . A A . 17 LEU CB 1 1 7 2265 1 1 17 LEU CD1 C 6.583 1.225 5.741 1.00 . A A . 17 LEU CD1 1 1 7 2266 1 1 17 LEU CD2 C 6.542 0.953 3.259 1.00 . A A . 17 LEU CD2 1 1 7 2267 1 1 17 LEU CG C 6.356 0.231 4.598 1.00 . A A . 17 LEU CG 1 1 7 2268 1 1 17 LEU H H 5.453 -2.058 3.550 1.00 . A A . 17 LEU H 1 1 7 2269 1 1 17 LEU HA H 7.372 -2.972 5.328 1.00 . A A . 17 LEU HA 1 1 7 2270 1 1 17 LEU HB2 H 8.157 -0.646 5.363 1.00 . A A . 17 LEU HB2 1 1 7 2271 1 1 17 LEU HB3 H 7.751 -1.157 3.726 1.00 . A A . 17 LEU HB3 1 1 7 2272 1 1 17 LEU HD11 H 6.693 0.686 6.670 1.00 . A A . 17 LEU HD11 1 1 7 2273 1 1 17 LEU HD12 H 5.738 1.893 5.811 1.00 . A A . 17 LEU HD12 1 1 7 2274 1 1 17 LEU HD13 H 7.479 1.796 5.549 1.00 . A A . 17 LEU HD13 1 1 7 2275 1 1 17 LEU HD21 H 7.588 1.178 3.113 1.00 . A A . 17 LEU HD21 1 1 7 2276 1 1 17 LEU HD22 H 5.973 1.870 3.262 1.00 . A A . 17 LEU HD22 1 1 7 2277 1 1 17 LEU HD23 H 6.197 0.316 2.457 1.00 . A A . 17 LEU HD23 1 1 7 2278 1 1 17 LEU HG H 5.354 -0.157 4.661 1.00 . A A . 17 LEU HG 1 1 7 2279 1 1 17 LEU N N 5.574 -2.546 4.389 1.00 . A A . 17 LEU N 1 1 7 2280 1 1 17 LEU O O 6.808 -2.140 7.671 1.00 . A A . 17 LEU O 1 1 7 2281 1 1 18 ALA C C 4.260 -2.203 8.928 1.00 . A A . 18 ALA C 1 1 7 2282 1 1 18 ALA CA C 4.335 -0.969 8.035 1.00 . A A . 18 ALA CA 1 1 7 2283 1 1 18 ALA CB C 2.928 -0.405 7.824 1.00 . A A . 18 ALA CB 1 1 7 2284 1 1 18 ALA H H 4.446 -1.103 5.922 1.00 . A A . 18 ALA H 1 1 7 2285 1 1 18 ALA HA H 4.941 -0.220 8.521 1.00 . A A . 18 ALA HA 1 1 7 2286 1 1 18 ALA HB1 H 2.950 0.332 7.034 1.00 . A A . 18 ALA HB1 1 1 7 2287 1 1 18 ALA HB2 H 2.585 0.058 8.737 1.00 . A A . 18 ALA HB2 1 1 7 2288 1 1 18 ALA HB3 H 2.256 -1.204 7.551 1.00 . A A . 18 ALA HB3 1 1 7 2289 1 1 18 ALA N N 4.936 -1.300 6.748 1.00 . A A . 18 ALA N 1 1 7 2290 1 1 18 ALA O O 4.534 -2.131 10.125 1.00 . A A . 18 ALA O 1 1 7 2291 1 1 19 SER C C 5.143 -4.994 9.634 1.00 . A A . 19 SER C 1 1 7 2292 1 1 19 SER CA C 3.780 -4.577 9.087 1.00 . A A . 19 SER CA 1 1 7 2293 1 1 19 SER CB C 3.220 -5.679 8.183 1.00 . A A . 19 SER CB 1 1 7 2294 1 1 19 SER H H 3.681 -3.332 7.381 1.00 . A A . 19 SER H 1 1 7 2295 1 1 19 SER HA H 3.102 -4.428 9.913 1.00 . A A . 19 SER HA 1 1 7 2296 1 1 19 SER HB2 H 3.375 -5.411 7.151 1.00 . A A . 19 SER HB2 1 1 7 2297 1 1 19 SER HB3 H 3.726 -6.612 8.390 1.00 . A A . 19 SER HB3 1 1 7 2298 1 1 19 SER HG H 1.599 -5.272 9.180 1.00 . A A . 19 SER HG 1 1 7 2299 1 1 19 SER N N 3.887 -3.334 8.337 1.00 . A A . 19 SER N 1 1 7 2300 1 1 19 SER O O 5.240 -5.549 10.728 1.00 . A A . 19 SER O 1 1 7 2301 1 1 19 SER OG O 1.826 -5.818 8.423 1.00 . A A . 19 SER OG 1 1 7 2302 1 1 20 LYS C C 7.904 -4.381 10.590 1.00 . A A . 20 LYS C 1 1 7 2303 1 1 20 LYS CA C 7.544 -5.077 9.281 1.00 . A A . 20 LYS CA 1 1 7 2304 1 1 20 LYS CB C 8.544 -4.682 8.196 1.00 . A A . 20 LYS CB 1 1 7 2305 1 1 20 LYS CD C 9.707 -6.822 7.591 1.00 . A A . 20 LYS CD 1 1 7 2306 1 1 20 LYS CE C 11.026 -7.592 7.681 1.00 . A A . 20 LYS CE 1 1 7 2307 1 1 20 LYS CG C 9.835 -5.497 8.348 1.00 . A A . 20 LYS CG 1 1 7 2308 1 1 20 LYS H H 6.055 -4.281 8.001 1.00 . A A . 20 LYS H 1 1 7 2309 1 1 20 LYS HA H 7.599 -6.139 9.426 1.00 . A A . 20 LYS HA 1 1 7 2310 1 1 20 LYS HB2 H 8.110 -4.865 7.223 1.00 . A A . 20 LYS HB2 1 1 7 2311 1 1 20 LYS HB3 H 8.768 -3.637 8.294 1.00 . A A . 20 LYS HB3 1 1 7 2312 1 1 20 LYS HD2 H 8.915 -7.412 8.029 1.00 . A A . 20 LYS HD2 1 1 7 2313 1 1 20 LYS HD3 H 9.479 -6.625 6.554 1.00 . A A . 20 LYS HD3 1 1 7 2314 1 1 20 LYS HE2 H 11.380 -7.582 8.701 1.00 . A A . 20 LYS HE2 1 1 7 2315 1 1 20 LYS HE3 H 10.870 -8.611 7.363 1.00 . A A . 20 LYS HE3 1 1 7 2316 1 1 20 LYS HG2 H 10.665 -4.933 7.945 1.00 . A A . 20 LYS HG2 1 1 7 2317 1 1 20 LYS HG3 H 10.015 -5.699 9.394 1.00 . A A . 20 LYS HG3 1 1 7 2318 1 1 20 LYS HZ1 H 12.817 -6.575 7.377 1.00 . A A . 20 LYS HZ1 1 1 7 2319 1 1 20 LYS HZ2 H 11.593 -6.164 6.275 1.00 . A A . 20 LYS HZ2 1 1 7 2320 1 1 20 LYS HZ3 H 12.411 -7.646 6.127 1.00 . A A . 20 LYS HZ3 1 1 7 2321 1 1 20 LYS N N 6.193 -4.725 8.864 1.00 . A A . 20 LYS N 1 1 7 2322 1 1 20 LYS NZ N 12.038 -6.945 6.798 1.00 . A A . 20 LYS NZ 1 1 7 2323 1 1 20 LYS O O 8.753 -4.856 11.344 1.00 . A A . 20 LYS O 1 1 7 2324 1 1 21 VAL C C 6.709 -3.069 13.240 1.00 . A A . 21 VAL C 1 1 7 2325 1 1 21 VAL CA C 7.512 -2.498 12.075 1.00 . A A . 21 VAL CA 1 1 7 2326 1 1 21 VAL CB C 7.140 -1.028 11.870 1.00 . A A . 21 VAL CB 1 1 7 2327 1 1 21 VAL CG1 C 7.441 -0.242 13.146 1.00 . A A . 21 VAL CG1 1 1 7 2328 1 1 21 VAL CG2 C 7.960 -0.454 10.713 1.00 . A A . 21 VAL CG2 1 1 7 2329 1 1 21 VAL H H 6.586 -2.921 10.216 1.00 . A A . 21 VAL H 1 1 7 2330 1 1 21 VAL HA H 8.564 -2.561 12.311 1.00 . A A . 21 VAL HA 1 1 7 2331 1 1 21 VAL HB H 6.087 -0.953 11.640 1.00 . A A . 21 VAL HB 1 1 7 2332 1 1 21 VAL HG11 H 6.712 -0.491 13.903 1.00 . A A . 21 VAL HG11 1 1 7 2333 1 1 21 VAL HG12 H 7.395 0.817 12.936 1.00 . A A . 21 VAL HG12 1 1 7 2334 1 1 21 VAL HG13 H 8.429 -0.496 13.502 1.00 . A A . 21 VAL HG13 1 1 7 2335 1 1 21 VAL HG21 H 9.012 -0.535 10.942 1.00 . A A . 21 VAL HG21 1 1 7 2336 1 1 21 VAL HG22 H 7.702 0.585 10.570 1.00 . A A . 21 VAL HG22 1 1 7 2337 1 1 21 VAL HG23 H 7.745 -1.006 9.809 1.00 . A A . 21 VAL HG23 1 1 7 2338 1 1 21 VAL N N 7.252 -3.252 10.854 1.00 . A A . 21 VAL N 1 1 7 2339 1 1 21 VAL O O 7.203 -3.154 14.364 1.00 . A A . 21 VAL O 1 1 7 2340 1 1 22 MET C C 5.025 -5.448 14.328 1.00 . A A . 22 MET C 1 1 7 2341 1 1 22 MET CA C 4.607 -4.019 13.996 1.00 . A A . 22 MET CA 1 1 7 2342 1 1 22 MET CB C 3.151 -4.007 13.525 1.00 . A A . 22 MET CB 1 1 7 2343 1 1 22 MET CE C 0.905 -0.803 12.248 1.00 . A A . 22 MET CE 1 1 7 2344 1 1 22 MET CG C 2.758 -2.586 13.119 1.00 . A A . 22 MET CG 1 1 7 2345 1 1 22 MET H H 5.128 -3.366 12.049 1.00 . A A . 22 MET H 1 1 7 2346 1 1 22 MET HA H 4.689 -3.415 14.888 1.00 . A A . 22 MET HA 1 1 7 2347 1 1 22 MET HB2 H 3.043 -4.669 12.674 1.00 . A A . 22 MET HB2 1 1 7 2348 1 1 22 MET HB3 H 2.509 -4.340 14.330 1.00 . A A . 22 MET HB3 1 1 7 2349 1 1 22 MET HE1 H -0.121 -0.461 12.248 1.00 . A A . 22 MET HE1 1 1 7 2350 1 1 22 MET HE2 H 1.295 -0.763 11.244 1.00 . A A . 22 MET HE2 1 1 7 2351 1 1 22 MET HE3 H 1.502 -0.170 12.890 1.00 . A A . 22 MET HE3 1 1 7 2352 1 1 22 MET HG2 H 3.037 -1.897 13.905 1.00 . A A . 22 MET HG2 1 1 7 2353 1 1 22 MET HG3 H 3.270 -2.319 12.202 1.00 . A A . 22 MET HG3 1 1 7 2354 1 1 22 MET N N 5.469 -3.458 12.963 1.00 . A A . 22 MET N 1 1 7 2355 1 1 22 MET O O 5.292 -5.774 15.484 1.00 . A A . 22 MET O 1 1 7 2356 1 1 22 MET SD S 0.969 -2.507 12.856 1.00 . A A . 22 MET SD 1 1 7 2357 1 1 23 ASN C C 6.926 -7.784 13.932 1.00 . A A . 23 ASN C 1 1 7 2358 1 1 23 ASN CA C 5.465 -7.688 13.501 1.00 . A A . 23 ASN CA 1 1 7 2359 1 1 23 ASN CB C 5.262 -8.473 12.203 1.00 . A A . 23 ASN CB 1 1 7 2360 1 1 23 ASN CG C 3.888 -8.167 11.618 1.00 . A A . 23 ASN CG 1 1 7 2361 1 1 23 ASN H H 4.854 -5.980 12.406 1.00 . A A . 23 ASN H 1 1 7 2362 1 1 23 ASN HA H 4.844 -8.120 14.270 1.00 . A A . 23 ASN HA 1 1 7 2363 1 1 23 ASN HB2 H 6.026 -8.193 11.493 1.00 . A A . 23 ASN HB2 1 1 7 2364 1 1 23 ASN HB3 H 5.336 -9.531 12.410 1.00 . A A . 23 ASN HB3 1 1 7 2365 1 1 23 ASN HD21 H 4.473 -8.409 9.736 1.00 . A A . 23 ASN HD21 1 1 7 2366 1 1 23 ASN HD22 H 2.839 -7.998 9.941 1.00 . A A . 23 ASN HD22 1 1 7 2367 1 1 23 ASN N N 5.079 -6.296 13.305 1.00 . A A . 23 ASN N 1 1 7 2368 1 1 23 ASN ND2 N 3.720 -8.193 10.325 1.00 . A A . 23 ASN ND2 1 1 7 2369 1 1 23 ASN O O 7.466 -8.881 14.071 1.00 . A A . 23 ASN O 1 1 7 2370 1 1 23 ASN OD1 O 2.943 -7.897 12.360 1.00 . A A . 23 ASN OD1 1 1 7 2371 1 1 24 NH2 HN1 H 7.165 -5.811 14.041 1.00 . A A . 24 NH2 HN1 1 1 7 2372 1 1 24 NH2 HN2 H 8.547 -6.744 14.433 1.00 . A A . 24 NH2 HN2 1 1 7 2373 1 1 24 NH2 N N 7.601 -6.689 14.154 1.00 . A A . 24 NH2 N 1 1 8 2374 1 1 1 GLY C C -9.598 1.982 -13.692 1.00 . A A . 1 GLY C 1 1 8 2375 1 1 1 GLY CA C -11.083 1.755 -13.430 1.00 . A A . 1 GLY CA 1 1 8 2376 1 1 1 GLY H1 H -10.582 2.396 -11.513 1.00 . A A . 1 GLY H1 1 1 8 2377 1 1 1 GLY H2 H -12.109 1.659 -11.621 1.00 . A A . 1 GLY H2 1 1 8 2378 1 1 1 GLY H3 H -11.882 3.238 -12.205 1.00 . A A . 1 GLY H3 1 1 8 2379 1 1 1 GLY HA2 H -11.296 0.693 -13.453 1.00 . A A . 1 GLY HA2 1 1 8 2380 1 1 1 GLY HA3 H -11.661 2.260 -14.193 1.00 . A A . 1 GLY HA3 1 1 8 2381 1 1 1 GLY N N -11.440 2.303 -12.092 1.00 . A A . 1 GLY N 1 1 8 2382 1 1 1 GLY O O -8.957 1.207 -14.403 1.00 . A A . 1 GLY O 1 1 8 2383 1 1 2 VAL C C -7.075 3.997 -12.019 1.00 . A A . 2 VAL C 1 1 8 2384 1 1 2 VAL CA C -7.645 3.372 -13.289 1.00 . A A . 2 VAL CA 1 1 8 2385 1 1 2 VAL CB C -7.474 4.345 -14.458 1.00 . A A . 2 VAL CB 1 1 8 2386 1 1 2 VAL CG1 C -5.996 4.428 -14.842 1.00 . A A . 2 VAL CG1 1 1 8 2387 1 1 2 VAL CG2 C -8.284 3.849 -15.658 1.00 . A A . 2 VAL CG2 1 1 8 2388 1 1 2 VAL H H -9.618 3.631 -12.558 1.00 . A A . 2 VAL H 1 1 8 2389 1 1 2 VAL HA H -7.099 2.466 -13.508 1.00 . A A . 2 VAL HA 1 1 8 2390 1 1 2 VAL HB H -7.825 5.324 -14.164 1.00 . A A . 2 VAL HB 1 1 8 2391 1 1 2 VAL HG11 H -5.709 3.529 -15.366 1.00 . A A . 2 VAL HG11 1 1 8 2392 1 1 2 VAL HG12 H -5.398 4.533 -13.950 1.00 . A A . 2 VAL HG12 1 1 8 2393 1 1 2 VAL HG13 H -5.839 5.283 -15.482 1.00 . A A . 2 VAL HG13 1 1 8 2394 1 1 2 VAL HG21 H -9.339 3.912 -15.432 1.00 . A A . 2 VAL HG21 1 1 8 2395 1 1 2 VAL HG22 H -8.023 2.822 -15.870 1.00 . A A . 2 VAL HG22 1 1 8 2396 1 1 2 VAL HG23 H -8.063 4.462 -16.519 1.00 . A A . 2 VAL HG23 1 1 8 2397 1 1 2 VAL N N -9.057 3.050 -13.113 1.00 . A A . 2 VAL N 1 1 8 2398 1 1 2 VAL O O -6.333 3.353 -11.278 1.00 . A A . 2 VAL O 1 1 8 2399 1 1 3 VAL C C -7.242 5.155 -9.332 1.00 . A A . 3 VAL C 1 1 8 2400 1 1 3 VAL CA C -6.945 5.957 -10.594 1.00 . A A . 3 VAL CA 1 1 8 2401 1 1 3 VAL CB C -7.604 7.327 -10.496 1.00 . A A . 3 VAL CB 1 1 8 2402 1 1 3 VAL CG1 C -7.172 8.015 -9.200 1.00 . A A . 3 VAL CG1 1 1 8 2403 1 1 3 VAL CG2 C -7.181 8.183 -11.694 1.00 . A A . 3 VAL CG2 1 1 8 2404 1 1 3 VAL H H -8.021 5.719 -12.403 1.00 . A A . 3 VAL H 1 1 8 2405 1 1 3 VAL HA H -5.886 6.095 -10.678 1.00 . A A . 3 VAL HA 1 1 8 2406 1 1 3 VAL HB H -8.668 7.203 -10.500 1.00 . A A . 3 VAL HB 1 1 8 2407 1 1 3 VAL HG11 H -7.670 7.549 -8.362 1.00 . A A . 3 VAL HG11 1 1 8 2408 1 1 3 VAL HG12 H -7.439 9.061 -9.241 1.00 . A A . 3 VAL HG12 1 1 8 2409 1 1 3 VAL HG13 H -6.103 7.920 -9.080 1.00 . A A . 3 VAL HG13 1 1 8 2410 1 1 3 VAL HG21 H -7.793 9.072 -11.733 1.00 . A A . 3 VAL HG21 1 1 8 2411 1 1 3 VAL HG22 H -7.311 7.617 -12.603 1.00 . A A . 3 VAL HG22 1 1 8 2412 1 1 3 VAL HG23 H -6.144 8.464 -11.588 1.00 . A A . 3 VAL HG23 1 1 8 2413 1 1 3 VAL N N -7.428 5.256 -11.777 1.00 . A A . 3 VAL N 1 1 8 2414 1 1 3 VAL O O -6.434 5.118 -8.403 1.00 . A A . 3 VAL O 1 1 8 2415 1 1 4 ASP C C -7.774 2.615 -7.884 1.00 . A A . 4 ASP C 1 1 8 2416 1 1 4 ASP CA C -8.799 3.713 -8.150 1.00 . A A . 4 ASP CA 1 1 8 2417 1 1 4 ASP CB C -10.172 3.084 -8.395 1.00 . A A . 4 ASP CB 1 1 8 2418 1 1 4 ASP CG C -10.599 2.274 -7.176 1.00 . A A . 4 ASP CG 1 1 8 2419 1 1 4 ASP H H -9.010 4.579 -10.073 1.00 . A A . 4 ASP H 1 1 8 2420 1 1 4 ASP HA H -8.859 4.355 -7.283 1.00 . A A . 4 ASP HA 1 1 8 2421 1 1 4 ASP HB2 H -10.898 3.867 -8.577 1.00 . A A . 4 ASP HB2 1 1 8 2422 1 1 4 ASP HB3 H -10.118 2.432 -9.257 1.00 . A A . 4 ASP HB3 1 1 8 2423 1 1 4 ASP N N -8.405 4.513 -9.304 1.00 . A A . 4 ASP N 1 1 8 2424 1 1 4 ASP O O -7.507 2.269 -6.733 1.00 . A A . 4 ASP O 1 1 8 2425 1 1 4 ASP OD1 O -10.520 2.803 -6.080 1.00 . A A . 4 ASP OD1 1 1 8 2426 1 1 4 ASP OD2 O -11.001 1.136 -7.357 1.00 . A A . 4 ASP OD2 1 1 8 2427 1 1 5 ILE C C -4.894 1.578 -8.299 1.00 . A A . 5 ILE C 1 1 8 2428 1 1 5 ILE CA C -6.210 1.013 -8.825 1.00 . A A . 5 ILE CA 1 1 8 2429 1 1 5 ILE CB C -5.976 0.348 -10.183 1.00 . A A . 5 ILE CB 1 1 8 2430 1 1 5 ILE CD1 C -7.109 -0.621 -12.190 1.00 . A A . 5 ILE CD1 1 1 8 2431 1 1 5 ILE CG1 C -7.318 -0.100 -10.767 1.00 . A A . 5 ILE CG1 1 1 8 2432 1 1 5 ILE CG2 C -5.066 -0.869 -10.007 1.00 . A A . 5 ILE CG2 1 1 8 2433 1 1 5 ILE H H -7.457 2.389 -9.847 1.00 . A A . 5 ILE H 1 1 8 2434 1 1 5 ILE HA H -6.576 0.271 -8.131 1.00 . A A . 5 ILE HA 1 1 8 2435 1 1 5 ILE HB H -5.507 1.055 -10.853 1.00 . A A . 5 ILE HB 1 1 8 2436 1 1 5 ILE HD11 H -6.524 0.093 -12.752 1.00 . A A . 5 ILE HD11 1 1 8 2437 1 1 5 ILE HD12 H -8.067 -0.757 -12.668 1.00 . A A . 5 ILE HD12 1 1 8 2438 1 1 5 ILE HD13 H -6.586 -1.566 -12.153 1.00 . A A . 5 ILE HD13 1 1 8 2439 1 1 5 ILE HG12 H -7.733 -0.887 -10.152 1.00 . A A . 5 ILE HG12 1 1 8 2440 1 1 5 ILE HG13 H -8.000 0.739 -10.789 1.00 . A A . 5 ILE HG13 1 1 8 2441 1 1 5 ILE HG21 H -4.916 -1.346 -10.965 1.00 . A A . 5 ILE HG21 1 1 8 2442 1 1 5 ILE HG22 H -5.528 -1.568 -9.325 1.00 . A A . 5 ILE HG22 1 1 8 2443 1 1 5 ILE HG23 H -4.114 -0.552 -9.609 1.00 . A A . 5 ILE HG23 1 1 8 2444 1 1 5 ILE N N -7.205 2.072 -8.955 1.00 . A A . 5 ILE N 1 1 8 2445 1 1 5 ILE O O -4.242 0.970 -7.450 1.00 . A A . 5 ILE O 1 1 8 2446 1 1 6 LEU C C -3.373 3.818 -6.925 1.00 . A A . 6 LEU C 1 1 8 2447 1 1 6 LEU CA C -3.270 3.382 -8.384 1.00 . A A . 6 LEU CA 1 1 8 2448 1 1 6 LEU CB C -2.984 4.601 -9.278 1.00 . A A . 6 LEU CB 1 1 8 2449 1 1 6 LEU CD1 C -0.782 4.873 -8.101 1.00 . A A . 6 LEU CD1 1 1 8 2450 1 1 6 LEU CD2 C -0.888 3.610 -10.267 1.00 . A A . 6 LEU CD2 1 1 8 2451 1 1 6 LEU CG C -1.470 4.787 -9.466 1.00 . A A . 6 LEU CG 1 1 8 2452 1 1 6 LEU H H -5.071 3.181 -9.483 1.00 . A A . 6 LEU H 1 1 8 2453 1 1 6 LEU HA H -2.464 2.674 -8.480 1.00 . A A . 6 LEU HA 1 1 8 2454 1 1 6 LEU HB2 H -3.448 4.451 -10.241 1.00 . A A . 6 LEU HB2 1 1 8 2455 1 1 6 LEU HB3 H -3.397 5.488 -8.819 1.00 . A A . 6 LEU HB3 1 1 8 2456 1 1 6 LEU HD11 H -1.393 5.453 -7.425 1.00 . A A . 6 LEU HD11 1 1 8 2457 1 1 6 LEU HD12 H 0.181 5.349 -8.214 1.00 . A A . 6 LEU HD12 1 1 8 2458 1 1 6 LEU HD13 H -0.646 3.879 -7.702 1.00 . A A . 6 LEU HD13 1 1 8 2459 1 1 6 LEU HD21 H -0.105 3.972 -10.917 1.00 . A A . 6 LEU HD21 1 1 8 2460 1 1 6 LEU HD22 H -1.665 3.155 -10.865 1.00 . A A . 6 LEU HD22 1 1 8 2461 1 1 6 LEU HD23 H -0.479 2.874 -9.590 1.00 . A A . 6 LEU HD23 1 1 8 2462 1 1 6 LEU HG H -1.295 5.707 -10.007 1.00 . A A . 6 LEU HG 1 1 8 2463 1 1 6 LEU N N -4.510 2.743 -8.809 1.00 . A A . 6 LEU N 1 1 8 2464 1 1 6 LEU O O -2.395 3.768 -6.180 1.00 . A A . 6 LEU O 1 1 8 2465 1 1 7 LYS C C -4.611 3.507 -4.190 1.00 . A A . 7 LYS C 1 1 8 2466 1 1 7 LYS CA C -4.784 4.678 -5.151 1.00 . A A . 7 LYS CA 1 1 8 2467 1 1 7 LYS CB C -6.186 5.262 -5.024 1.00 . A A . 7 LYS CB 1 1 8 2468 1 1 7 LYS CD C -6.144 5.684 -2.529 1.00 . A A . 7 LYS CD 1 1 8 2469 1 1 7 LYS CE C -4.779 5.978 -1.897 1.00 . A A . 7 LYS CE 1 1 8 2470 1 1 7 LYS CG C -6.231 6.336 -3.924 1.00 . A A . 7 LYS CG 1 1 8 2471 1 1 7 LYS H H -5.314 4.257 -7.153 1.00 . A A . 7 LYS H 1 1 8 2472 1 1 7 LYS HA H -4.074 5.437 -4.909 1.00 . A A . 7 LYS HA 1 1 8 2473 1 1 7 LYS HB2 H -6.475 5.703 -5.967 1.00 . A A . 7 LYS HB2 1 1 8 2474 1 1 7 LYS HB3 H -6.863 4.474 -4.784 1.00 . A A . 7 LYS HB3 1 1 8 2475 1 1 7 LYS HD2 H -6.922 6.089 -1.897 1.00 . A A . 7 LYS HD2 1 1 8 2476 1 1 7 LYS HD3 H -6.276 4.616 -2.613 1.00 . A A . 7 LYS HD3 1 1 8 2477 1 1 7 LYS HE2 H -4.598 5.278 -1.094 1.00 . A A . 7 LYS HE2 1 1 8 2478 1 1 7 LYS HE3 H -4.005 5.877 -2.641 1.00 . A A . 7 LYS HE3 1 1 8 2479 1 1 7 LYS HG2 H -5.408 7.023 -4.058 1.00 . A A . 7 LYS HG2 1 1 8 2480 1 1 7 LYS HG3 H -7.161 6.880 -4.003 1.00 . A A . 7 LYS HG3 1 1 8 2481 1 1 7 LYS HZ1 H -3.924 7.865 -1.693 1.00 . A A . 7 LYS HZ1 1 1 8 2482 1 1 7 LYS HZ2 H -4.767 7.333 -0.316 1.00 . A A . 7 LYS HZ2 1 1 8 2483 1 1 7 LYS HZ3 H -5.620 7.870 -1.683 1.00 . A A . 7 LYS HZ3 1 1 8 2484 1 1 7 LYS N N -4.566 4.242 -6.522 1.00 . A A . 7 LYS N 1 1 8 2485 1 1 7 LYS NZ N -4.773 7.366 -1.356 1.00 . A A . 7 LYS NZ 1 1 8 2486 1 1 7 LYS O O -3.907 3.614 -3.185 1.00 . A A . 7 LYS O 1 1 8 2487 1 1 8 GLY C C -3.732 0.671 -3.628 1.00 . A A . 8 GLY C 1 1 8 2488 1 1 8 GLY CA C -5.162 1.202 -3.665 1.00 . A A . 8 GLY CA 1 1 8 2489 1 1 8 GLY H H -5.798 2.359 -5.318 1.00 . A A . 8 GLY H 1 1 8 2490 1 1 8 GLY HA2 H -5.474 1.457 -2.660 1.00 . A A . 8 GLY HA2 1 1 8 2491 1 1 8 GLY HA3 H -5.814 0.435 -4.060 1.00 . A A . 8 GLY HA3 1 1 8 2492 1 1 8 GLY N N -5.254 2.389 -4.505 1.00 . A A . 8 GLY N 1 1 8 2493 1 1 8 GLY O O -3.354 -0.056 -2.710 1.00 . A A . 8 GLY O 1 1 8 2494 1 1 9 ALA C C -0.688 1.347 -3.707 1.00 . A A . 9 ALA C 1 1 8 2495 1 1 9 ALA CA C -1.559 0.587 -4.705 1.00 . A A . 9 ALA CA 1 1 8 2496 1 1 9 ALA CB C -1.015 0.796 -6.119 1.00 . A A . 9 ALA CB 1 1 8 2497 1 1 9 ALA H H -3.301 1.613 -5.341 1.00 . A A . 9 ALA H 1 1 8 2498 1 1 9 ALA HA H -1.520 -0.467 -4.471 1.00 . A A . 9 ALA HA 1 1 8 2499 1 1 9 ALA HB1 H -1.076 1.842 -6.377 1.00 . A A . 9 ALA HB1 1 1 8 2500 1 1 9 ALA HB2 H -1.601 0.217 -6.819 1.00 . A A . 9 ALA HB2 1 1 8 2501 1 1 9 ALA HB3 H 0.015 0.474 -6.161 1.00 . A A . 9 ALA HB3 1 1 8 2502 1 1 9 ALA N N -2.944 1.035 -4.633 1.00 . A A . 9 ALA N 1 1 8 2503 1 1 9 ALA O O 0.304 0.819 -3.208 1.00 . A A . 9 ALA O 1 1 8 2504 1 1 10 ALA C C -0.289 2.819 -1.098 1.00 . A A . 10 ALA C 1 1 8 2505 1 1 10 ALA CA C -0.297 3.423 -2.502 1.00 . A A . 10 ALA CA 1 1 8 2506 1 1 10 ALA CB C -0.897 4.828 -2.448 1.00 . A A . 10 ALA CB 1 1 8 2507 1 1 10 ALA H H -1.856 2.966 -3.866 1.00 . A A . 10 ALA H 1 1 8 2508 1 1 10 ALA HA H 0.721 3.495 -2.856 1.00 . A A . 10 ALA HA 1 1 8 2509 1 1 10 ALA HB1 H -0.764 5.314 -3.403 1.00 . A A . 10 ALA HB1 1 1 8 2510 1 1 10 ALA HB2 H -0.399 5.403 -1.680 1.00 . A A . 10 ALA HB2 1 1 8 2511 1 1 10 ALA HB3 H -1.950 4.762 -2.221 1.00 . A A . 10 ALA HB3 1 1 8 2512 1 1 10 ALA N N -1.060 2.594 -3.431 1.00 . A A . 10 ALA N 1 1 8 2513 1 1 10 ALA O O 0.772 2.537 -0.543 1.00 . A A . 10 ALA O 1 1 8 2514 1 1 11 LYS C C -0.890 0.717 0.898 1.00 . A A . 11 LYS C 1 1 8 2515 1 1 11 LYS CA C -1.585 2.072 0.815 1.00 . A A . 11 LYS CA 1 1 8 2516 1 1 11 LYS CB C -3.059 1.925 1.204 1.00 . A A . 11 LYS CB 1 1 8 2517 1 1 11 LYS CD C -5.214 0.854 0.532 1.00 . A A . 11 LYS CD 1 1 8 2518 1 1 11 LYS CE C -5.837 -0.397 -0.088 1.00 . A A . 11 LYS CE 1 1 8 2519 1 1 11 LYS CG C -3.690 0.780 0.411 1.00 . A A . 11 LYS CG 1 1 8 2520 1 1 11 LYS H H -2.288 2.884 -1.015 1.00 . A A . 11 LYS H 1 1 8 2521 1 1 11 LYS HA H -1.111 2.748 1.511 1.00 . A A . 11 LYS HA 1 1 8 2522 1 1 11 LYS HB2 H -3.131 1.714 2.261 1.00 . A A . 11 LYS HB2 1 1 8 2523 1 1 11 LYS HB3 H -3.583 2.843 0.984 1.00 . A A . 11 LYS HB3 1 1 8 2524 1 1 11 LYS HD2 H -5.489 0.918 1.575 1.00 . A A . 11 LYS HD2 1 1 8 2525 1 1 11 LYS HD3 H -5.574 1.729 0.010 1.00 . A A . 11 LYS HD3 1 1 8 2526 1 1 11 LYS HE2 H -6.903 -0.254 -0.194 1.00 . A A . 11 LYS HE2 1 1 8 2527 1 1 11 LYS HE3 H -5.399 -0.575 -1.058 1.00 . A A . 11 LYS HE3 1 1 8 2528 1 1 11 LYS HG2 H -3.406 0.865 -0.629 1.00 . A A . 11 LYS HG2 1 1 8 2529 1 1 11 LYS HG3 H -3.345 -0.166 0.807 1.00 . A A . 11 LYS HG3 1 1 8 2530 1 1 11 LYS HZ1 H -5.672 -1.283 1.789 1.00 . A A . 11 LYS HZ1 1 1 8 2531 1 1 11 LYS HZ2 H -4.618 -1.929 0.624 1.00 . A A . 11 LYS HZ2 1 1 8 2532 1 1 11 LYS HZ3 H -6.271 -2.319 0.587 1.00 . A A . 11 LYS HZ3 1 1 8 2533 1 1 11 LYS N N -1.474 2.633 -0.528 1.00 . A A . 11 LYS N 1 1 8 2534 1 1 11 LYS NZ N -5.580 -1.570 0.795 1.00 . A A . 11 LYS NZ 1 1 8 2535 1 1 11 LYS O O -0.491 0.281 1.977 1.00 . A A . 11 LYS O 1 1 8 2536 1 1 12 ASP C C 1.278 -1.197 0.344 1.00 . A A . 12 ASP C 1 1 8 2537 1 1 12 ASP CA C -0.113 -1.259 -0.281 1.00 . A A . 12 ASP CA 1 1 8 2538 1 1 12 ASP CB C -0.003 -1.748 -1.727 1.00 . A A . 12 ASP CB 1 1 8 2539 1 1 12 ASP CG C 0.233 -3.255 -1.752 1.00 . A A . 12 ASP CG 1 1 8 2540 1 1 12 ASP H H -1.097 0.443 -1.075 1.00 . A A . 12 ASP H 1 1 8 2541 1 1 12 ASP HA H -0.716 -1.959 0.277 1.00 . A A . 12 ASP HA 1 1 8 2542 1 1 12 ASP HB2 H -0.923 -1.522 -2.252 1.00 . A A . 12 ASP HB2 1 1 8 2543 1 1 12 ASP HB3 H 0.824 -1.248 -2.214 1.00 . A A . 12 ASP HB3 1 1 8 2544 1 1 12 ASP N N -0.756 0.051 -0.244 1.00 . A A . 12 ASP N 1 1 8 2545 1 1 12 ASP O O 1.563 -1.901 1.313 1.00 . A A . 12 ASP O 1 1 8 2546 1 1 12 ASP OD1 O -0.612 -3.976 -1.248 1.00 . A A . 12 ASP OD1 1 1 8 2547 1 1 12 ASP OD2 O 1.257 -3.665 -2.275 1.00 . A A . 12 ASP OD2 1 1 8 2548 1 1 13 ILE C C 3.482 0.403 1.699 1.00 . A A . 13 ILE C 1 1 8 2549 1 1 13 ILE CA C 3.499 -0.215 0.304 1.00 . A A . 13 ILE CA 1 1 8 2550 1 1 13 ILE CB C 4.336 0.662 -0.633 1.00 . A A . 13 ILE CB 1 1 8 2551 1 1 13 ILE CD1 C 3.404 0.676 -2.970 1.00 . A A . 13 ILE CD1 1 1 8 2552 1 1 13 ILE CG1 C 4.414 0.012 -2.028 1.00 . A A . 13 ILE CG1 1 1 8 2553 1 1 13 ILE CG2 C 5.747 0.810 -0.056 1.00 . A A . 13 ILE CG2 1 1 8 2554 1 1 13 ILE H H 1.861 0.184 -0.983 1.00 . A A . 13 ILE H 1 1 8 2555 1 1 13 ILE HA H 3.952 -1.193 0.361 1.00 . A A . 13 ILE HA 1 1 8 2556 1 1 13 ILE HB H 3.880 1.639 -0.711 1.00 . A A . 13 ILE HB 1 1 8 2557 1 1 13 ILE HD11 H 3.822 1.594 -3.356 1.00 . A A . 13 ILE HD11 1 1 8 2558 1 1 13 ILE HD12 H 2.495 0.895 -2.430 1.00 . A A . 13 ILE HD12 1 1 8 2559 1 1 13 ILE HD13 H 3.184 0.008 -3.790 1.00 . A A . 13 ILE HD13 1 1 8 2560 1 1 13 ILE HG12 H 5.411 0.137 -2.431 1.00 . A A . 13 ILE HG12 1 1 8 2561 1 1 13 ILE HG13 H 4.188 -1.043 -1.950 1.00 . A A . 13 ILE HG13 1 1 8 2562 1 1 13 ILE HG21 H 5.718 1.466 0.801 1.00 . A A . 13 ILE HG21 1 1 8 2563 1 1 13 ILE HG22 H 6.401 1.228 -0.808 1.00 . A A . 13 ILE HG22 1 1 8 2564 1 1 13 ILE HG23 H 6.117 -0.158 0.245 1.00 . A A . 13 ILE HG23 1 1 8 2565 1 1 13 ILE N N 2.141 -0.353 -0.213 1.00 . A A . 13 ILE N 1 1 8 2566 1 1 13 ILE O O 4.056 -0.148 2.639 1.00 . A A . 13 ILE O 1 1 8 2567 1 1 14 ALA C C 2.180 1.303 4.182 1.00 . A A . 14 ALA C 1 1 8 2568 1 1 14 ALA CA C 2.742 2.234 3.111 1.00 . A A . 14 ALA CA 1 1 8 2569 1 1 14 ALA CB C 1.852 3.471 2.989 1.00 . A A . 14 ALA CB 1 1 8 2570 1 1 14 ALA H H 2.386 1.944 1.043 1.00 . A A . 14 ALA H 1 1 8 2571 1 1 14 ALA HA H 3.734 2.546 3.405 1.00 . A A . 14 ALA HA 1 1 8 2572 1 1 14 ALA HB1 H 2.196 4.082 2.167 1.00 . A A . 14 ALA HB1 1 1 8 2573 1 1 14 ALA HB2 H 1.899 4.042 3.904 1.00 . A A . 14 ALA HB2 1 1 8 2574 1 1 14 ALA HB3 H 0.833 3.166 2.807 1.00 . A A . 14 ALA HB3 1 1 8 2575 1 1 14 ALA N N 2.824 1.550 1.826 1.00 . A A . 14 ALA N 1 1 8 2576 1 1 14 ALA O O 2.524 1.416 5.359 1.00 . A A . 14 ALA O 1 1 8 2577 1 1 15 GLY C C 1.518 -1.846 4.782 1.00 . A A . 15 GLY C 1 1 8 2578 1 1 15 GLY CA C 0.703 -0.559 4.700 1.00 . A A . 15 GLY CA 1 1 8 2579 1 1 15 GLY H H 1.073 0.345 2.817 1.00 . A A . 15 GLY H 1 1 8 2580 1 1 15 GLY HA2 H 0.651 -0.107 5.683 1.00 . A A . 15 GLY HA2 1 1 8 2581 1 1 15 GLY HA3 H -0.296 -0.797 4.362 1.00 . A A . 15 GLY HA3 1 1 8 2582 1 1 15 GLY N N 1.311 0.386 3.768 1.00 . A A . 15 GLY N 1 1 8 2583 1 1 15 GLY O O 1.289 -2.681 5.657 1.00 . A A . 15 GLY O 1 1 8 2584 1 1 16 HIS C C 4.371 -3.122 4.942 1.00 . A A . 16 HIS C 1 1 8 2585 1 1 16 HIS CA C 3.310 -3.191 3.848 1.00 . A A . 16 HIS CA 1 1 8 2586 1 1 16 HIS CB C 3.984 -3.331 2.489 1.00 . A A . 16 HIS CB 1 1 8 2587 1 1 16 HIS CD2 C 6.009 -4.818 1.715 1.00 . A A . 16 HIS CD2 1 1 8 2588 1 1 16 HIS CE1 C 5.848 -6.375 3.214 1.00 . A A . 16 HIS CE1 1 1 8 2589 1 1 16 HIS CG C 4.942 -4.492 2.515 1.00 . A A . 16 HIS CG 1 1 8 2590 1 1 16 HIS H H 2.607 -1.301 3.194 1.00 . A A . 16 HIS H 1 1 8 2591 1 1 16 HIS HA H 2.696 -4.054 4.012 1.00 . A A . 16 HIS HA 1 1 8 2592 1 1 16 HIS HB2 H 3.235 -3.499 1.730 1.00 . A A . 16 HIS HB2 1 1 8 2593 1 1 16 HIS HB3 H 4.519 -2.429 2.272 1.00 . A A . 16 HIS HB3 1 1 8 2594 1 1 16 HIS HD2 H 6.353 -4.239 0.870 1.00 . A A . 16 HIS HD2 1 1 8 2595 1 1 16 HIS HE1 H 6.030 -7.266 3.795 1.00 . A A . 16 HIS HE1 1 1 8 2596 1 1 16 HIS HE2 H 7.352 -6.475 1.777 1.00 . A A . 16 HIS HE2 1 1 8 2597 1 1 16 HIS N N 2.469 -2.000 3.867 1.00 . A A . 16 HIS N 1 1 8 2598 1 1 16 HIS ND1 N 4.858 -5.498 3.464 1.00 . A A . 16 HIS ND1 1 1 8 2599 1 1 16 HIS NE2 N 6.579 -6.007 2.158 1.00 . A A . 16 HIS NE2 1 1 8 2600 1 1 16 HIS O O 4.426 -3.981 5.822 1.00 . A A . 16 HIS O 1 1 8 2601 1 1 17 LEU C C 5.687 -1.843 7.269 1.00 . A A . 17 LEU C 1 1 8 2602 1 1 17 LEU CA C 6.268 -1.923 5.861 1.00 . A A . 17 LEU CA 1 1 8 2603 1 1 17 LEU CB C 7.045 -0.644 5.546 1.00 . A A . 17 LEU CB 1 1 8 2604 1 1 17 LEU CD1 C 6.243 1.353 6.836 1.00 . A A . 17 LEU CD1 1 1 8 2605 1 1 17 LEU CD2 C 6.429 1.471 4.348 1.00 . A A . 17 LEU CD2 1 1 8 2606 1 1 17 LEU CG C 6.095 0.560 5.534 1.00 . A A . 17 LEU CG 1 1 8 2607 1 1 17 LEU H H 5.127 -1.443 4.157 1.00 . A A . 17 LEU H 1 1 8 2608 1 1 17 LEU HA H 6.941 -2.764 5.805 1.00 . A A . 17 LEU HA 1 1 8 2609 1 1 17 LEU HB2 H 7.794 -0.498 6.298 1.00 . A A . 17 LEU HB2 1 1 8 2610 1 1 17 LEU HB3 H 7.517 -0.743 4.577 1.00 . A A . 17 LEU HB3 1 1 8 2611 1 1 17 LEU HD11 H 7.159 1.924 6.808 1.00 . A A . 17 LEU HD11 1 1 8 2612 1 1 17 LEU HD12 H 6.270 0.671 7.672 1.00 . A A . 17 LEU HD12 1 1 8 2613 1 1 17 LEU HD13 H 5.404 2.024 6.947 1.00 . A A . 17 LEU HD13 1 1 8 2614 1 1 17 LEU HD21 H 5.864 2.388 4.427 1.00 . A A . 17 LEU HD21 1 1 8 2615 1 1 17 LEU HD22 H 6.174 0.970 3.425 1.00 . A A . 17 LEU HD22 1 1 8 2616 1 1 17 LEU HD23 H 7.485 1.698 4.355 1.00 . A A . 17 LEU HD23 1 1 8 2617 1 1 17 LEU HG H 5.080 0.213 5.445 1.00 . A A . 17 LEU HG 1 1 8 2618 1 1 17 LEU N N 5.213 -2.097 4.879 1.00 . A A . 17 LEU N 1 1 8 2619 1 1 17 LEU O O 6.257 -2.384 8.217 1.00 . A A . 17 LEU O 1 1 8 2620 1 1 18 ALA C C 3.755 -2.379 9.379 1.00 . A A . 18 ALA C 1 1 8 2621 1 1 18 ALA CA C 3.907 -1.021 8.701 1.00 . A A . 18 ALA CA 1 1 8 2622 1 1 18 ALA CB C 2.530 -0.376 8.532 1.00 . A A . 18 ALA CB 1 1 8 2623 1 1 18 ALA H H 4.142 -0.754 6.612 1.00 . A A . 18 ALA H 1 1 8 2624 1 1 18 ALA HA H 4.515 -0.384 9.325 1.00 . A A . 18 ALA HA 1 1 8 2625 1 1 18 ALA HB1 H 2.649 0.660 8.253 1.00 . A A . 18 ALA HB1 1 1 8 2626 1 1 18 ALA HB2 H 1.986 -0.438 9.463 1.00 . A A . 18 ALA HB2 1 1 8 2627 1 1 18 ALA HB3 H 1.982 -0.896 7.759 1.00 . A A . 18 ALA HB3 1 1 8 2628 1 1 18 ALA N N 4.552 -1.165 7.402 1.00 . A A . 18 ALA N 1 1 8 2629 1 1 18 ALA O O 4.066 -2.532 10.560 1.00 . A A . 18 ALA O 1 1 8 2630 1 1 19 SER C C 4.423 -5.358 9.466 1.00 . A A . 19 SER C 1 1 8 2631 1 1 19 SER CA C 3.079 -4.700 9.162 1.00 . A A . 19 SER CA 1 1 8 2632 1 1 19 SER CB C 2.297 -5.550 8.158 1.00 . A A . 19 SER CB 1 1 8 2633 1 1 19 SER H H 3.038 -3.183 7.693 1.00 . A A . 19 SER H 1 1 8 2634 1 1 19 SER HA H 2.510 -4.630 10.075 1.00 . A A . 19 SER HA 1 1 8 2635 1 1 19 SER HB2 H 2.414 -5.140 7.169 1.00 . A A . 19 SER HB2 1 1 8 2636 1 1 19 SER HB3 H 2.673 -6.564 8.169 1.00 . A A . 19 SER HB3 1 1 8 2637 1 1 19 SER HG H 0.510 -6.320 8.128 1.00 . A A . 19 SER HG 1 1 8 2638 1 1 19 SER N N 3.272 -3.361 8.625 1.00 . A A . 19 SER N 1 1 8 2639 1 1 19 SER O O 4.549 -6.125 10.421 1.00 . A A . 19 SER O 1 1 8 2640 1 1 19 SER OG O 0.919 -5.539 8.507 1.00 . A A . 19 SER OG 1 1 8 2641 1 1 20 LYS C C 7.371 -5.139 10.141 1.00 . A A . 20 LYS C 1 1 8 2642 1 1 20 LYS CA C 6.752 -5.625 8.833 1.00 . A A . 20 LYS CA 1 1 8 2643 1 1 20 LYS CB C 7.652 -5.240 7.660 1.00 . A A . 20 LYS CB 1 1 8 2644 1 1 20 LYS CD C 8.323 -7.421 6.617 1.00 . A A . 20 LYS CD 1 1 8 2645 1 1 20 LYS CE C 9.386 -8.522 6.609 1.00 . A A . 20 LYS CE 1 1 8 2646 1 1 20 LYS CG C 8.785 -6.265 7.509 1.00 . A A . 20 LYS CG 1 1 8 2647 1 1 20 LYS H H 5.267 -4.441 7.900 1.00 . A A . 20 LYS H 1 1 8 2648 1 1 20 LYS HA H 6.669 -6.693 8.864 1.00 . A A . 20 LYS HA 1 1 8 2649 1 1 20 LYS HB2 H 7.067 -5.208 6.752 1.00 . A A . 20 LYS HB2 1 1 8 2650 1 1 20 LYS HB3 H 8.072 -4.271 7.847 1.00 . A A . 20 LYS HB3 1 1 8 2651 1 1 20 LYS HD2 H 7.394 -7.820 6.995 1.00 . A A . 20 LYS HD2 1 1 8 2652 1 1 20 LYS HD3 H 8.175 -7.061 5.609 1.00 . A A . 20 LYS HD3 1 1 8 2653 1 1 20 LYS HE2 H 10.232 -8.201 6.019 1.00 . A A . 20 LYS HE2 1 1 8 2654 1 1 20 LYS HE3 H 9.708 -8.719 7.622 1.00 . A A . 20 LYS HE3 1 1 8 2655 1 1 20 LYS HG2 H 9.644 -5.787 7.060 1.00 . A A . 20 LYS HG2 1 1 8 2656 1 1 20 LYS HG3 H 9.057 -6.650 8.482 1.00 . A A . 20 LYS HG3 1 1 8 2657 1 1 20 LYS HZ1 H 9.566 -10.466 5.887 1.00 . A A . 20 LYS HZ1 1 1 8 2658 1 1 20 LYS HZ2 H 8.378 -9.542 5.100 1.00 . A A . 20 LYS HZ2 1 1 8 2659 1 1 20 LYS HZ3 H 8.090 -10.151 6.660 1.00 . A A . 20 LYS HZ3 1 1 8 2660 1 1 20 LYS N N 5.425 -5.056 8.645 1.00 . A A . 20 LYS N 1 1 8 2661 1 1 20 LYS NZ N 8.812 -9.764 6.019 1.00 . A A . 20 LYS NZ 1 1 8 2662 1 1 20 LYS O O 8.057 -5.893 10.830 1.00 . A A . 20 LYS O 1 1 8 2663 1 1 21 VAL C C 7.284 -4.163 12.908 1.00 . A A . 21 VAL C 1 1 8 2664 1 1 21 VAL CA C 7.663 -3.304 11.705 1.00 . A A . 21 VAL CA 1 1 8 2665 1 1 21 VAL CB C 7.130 -1.881 11.896 1.00 . A A . 21 VAL CB 1 1 8 2666 1 1 21 VAL CG1 C 7.502 -1.374 13.292 1.00 . A A . 21 VAL CG1 1 1 8 2667 1 1 21 VAL CG2 C 7.749 -0.961 10.841 1.00 . A A . 21 VAL CG2 1 1 8 2668 1 1 21 VAL H H 6.569 -3.321 9.888 1.00 . A A . 21 VAL H 1 1 8 2669 1 1 21 VAL HA H 8.739 -3.265 11.628 1.00 . A A . 21 VAL HA 1 1 8 2670 1 1 21 VAL HB H 6.054 -1.883 11.789 1.00 . A A . 21 VAL HB 1 1 8 2671 1 1 21 VAL HG11 H 6.862 -1.840 14.027 1.00 . A A . 21 VAL HG11 1 1 8 2672 1 1 21 VAL HG12 H 7.374 -0.302 13.332 1.00 . A A . 21 VAL HG12 1 1 8 2673 1 1 21 VAL HG13 H 8.532 -1.622 13.502 1.00 . A A . 21 VAL HG13 1 1 8 2674 1 1 21 VAL HG21 H 7.555 -1.358 9.857 1.00 . A A . 21 VAL HG21 1 1 8 2675 1 1 21 VAL HG22 H 8.815 -0.898 11.000 1.00 . A A . 21 VAL HG22 1 1 8 2676 1 1 21 VAL HG23 H 7.314 0.025 10.924 1.00 . A A . 21 VAL HG23 1 1 8 2677 1 1 21 VAL N N 7.123 -3.877 10.476 1.00 . A A . 21 VAL N 1 1 8 2678 1 1 21 VAL O O 7.988 -4.178 13.917 1.00 . A A . 21 VAL O 1 1 8 2679 1 1 22 MET C C 6.022 -7.198 13.583 1.00 . A A . 22 MET C 1 1 8 2680 1 1 22 MET CA C 5.702 -5.736 13.880 1.00 . A A . 22 MET CA 1 1 8 2681 1 1 22 MET CB C 4.193 -5.569 14.067 1.00 . A A . 22 MET CB 1 1 8 2682 1 1 22 MET CE C 2.514 -2.404 15.911 1.00 . A A . 22 MET CE 1 1 8 2683 1 1 22 MET CG C 3.863 -4.088 14.264 1.00 . A A . 22 MET CG 1 1 8 2684 1 1 22 MET H H 5.646 -4.825 11.965 1.00 . A A . 22 MET H 1 1 8 2685 1 1 22 MET HA H 6.199 -5.449 14.795 1.00 . A A . 22 MET HA 1 1 8 2686 1 1 22 MET HB2 H 3.679 -5.939 13.188 1.00 . A A . 22 MET HB2 1 1 8 2687 1 1 22 MET HB3 H 3.874 -6.127 14.938 1.00 . A A . 22 MET HB3 1 1 8 2688 1 1 22 MET HE1 H 1.569 -1.944 16.167 1.00 . A A . 22 MET HE1 1 1 8 2689 1 1 22 MET HE2 H 3.089 -1.722 15.305 1.00 . A A . 22 MET HE2 1 1 8 2690 1 1 22 MET HE3 H 3.065 -2.633 16.813 1.00 . A A . 22 MET HE3 1 1 8 2691 1 1 22 MET HG2 H 4.592 -3.642 14.931 1.00 . A A . 22 MET HG2 1 1 8 2692 1 1 22 MET HG3 H 3.888 -3.582 13.308 1.00 . A A . 22 MET HG3 1 1 8 2693 1 1 22 MET N N 6.167 -4.877 12.794 1.00 . A A . 22 MET N 1 1 8 2694 1 1 22 MET O O 6.717 -7.860 14.354 1.00 . A A . 22 MET O 1 1 8 2695 1 1 22 MET SD S 2.211 -3.930 14.987 1.00 . A A . 22 MET SD 1 1 8 2696 1 1 23 ASN C C 7.219 -9.445 12.258 1.00 . A A . 23 ASN C 1 1 8 2697 1 1 23 ASN CA C 5.748 -9.083 12.076 1.00 . A A . 23 ASN CA 1 1 8 2698 1 1 23 ASN CB C 5.345 -9.295 10.616 1.00 . A A . 23 ASN CB 1 1 8 2699 1 1 23 ASN CG C 3.835 -9.142 10.465 1.00 . A A . 23 ASN CG 1 1 8 2700 1 1 23 ASN H H 4.963 -7.122 11.886 1.00 . A A . 23 ASN H 1 1 8 2701 1 1 23 ASN HA H 5.148 -9.728 12.701 1.00 . A A . 23 ASN HA 1 1 8 2702 1 1 23 ASN HB2 H 5.843 -8.564 9.997 1.00 . A A . 23 ASN HB2 1 1 8 2703 1 1 23 ASN HB3 H 5.636 -10.287 10.304 1.00 . A A . 23 ASN HB3 1 1 8 2704 1 1 23 ASN HD21 H 3.844 -9.523 8.515 1.00 . A A . 23 ASN HD21 1 1 8 2705 1 1 23 ASN HD22 H 2.317 -9.208 9.186 1.00 . A A . 23 ASN HD22 1 1 8 2706 1 1 23 ASN N N 5.510 -7.696 12.462 1.00 . A A . 23 ASN N 1 1 8 2707 1 1 23 ASN ND2 N 3.287 -9.305 9.291 1.00 . A A . 23 ASN ND2 1 1 8 2708 1 1 23 ASN O O 7.547 -10.591 12.565 1.00 . A A . 23 ASN O 1 1 8 2709 1 1 23 ASN OD1 O 3.137 -8.868 11.440 1.00 . A A . 23 ASN OD1 1 1 8 2710 1 1 24 NH2 HN1 H 7.865 -7.611 11.837 1.00 . A A . 24 NH2 HN1 1 1 8 2711 1 1 24 NH2 HN2 H 9.086 -8.757 12.200 1.00 . A A . 24 NH2 HN2 1 1 8 2712 1 1 24 NH2 N N 8.132 -8.529 12.084 1.00 . A A . 24 NH2 N 1 1 9 2713 1 1 1 GLY C C -7.798 5.306 -13.782 1.00 . A A . 1 GLY C 1 1 9 2714 1 1 1 GLY CA C -8.418 6.421 -14.617 1.00 . A A . 1 GLY CA 1 1 9 2715 1 1 1 GLY H1 H -10.128 5.999 -13.507 1.00 . A A . 1 GLY H1 1 1 9 2716 1 1 1 GLY H2 H -10.390 7.064 -14.806 1.00 . A A . 1 GLY H2 1 1 9 2717 1 1 1 GLY H3 H -9.613 7.611 -13.397 1.00 . A A . 1 GLY H3 1 1 9 2718 1 1 1 GLY HA2 H -8.558 6.076 -15.635 1.00 . A A . 1 GLY HA2 1 1 9 2719 1 1 1 GLY HA3 H -7.759 7.279 -14.611 1.00 . A A . 1 GLY HA3 1 1 9 2720 1 1 1 GLY N N -9.737 6.803 -14.038 1.00 . A A . 1 GLY N 1 1 9 2721 1 1 1 GLY O O -8.498 4.591 -13.065 1.00 . A A . 1 GLY O 1 1 9 2722 1 1 2 VAL C C -5.714 4.491 -11.648 1.00 . A A . 2 VAL C 1 1 9 2723 1 1 2 VAL CA C -5.775 4.130 -13.129 1.00 . A A . 2 VAL CA 1 1 9 2724 1 1 2 VAL CB C -4.356 3.965 -13.676 1.00 . A A . 2 VAL CB 1 1 9 2725 1 1 2 VAL CG1 C -3.606 2.921 -12.847 1.00 . A A . 2 VAL CG1 1 1 9 2726 1 1 2 VAL CG2 C -4.423 3.504 -15.134 1.00 . A A . 2 VAL CG2 1 1 9 2727 1 1 2 VAL H H -5.973 5.761 -14.468 1.00 . A A . 2 VAL H 1 1 9 2728 1 1 2 VAL HA H -6.302 3.194 -13.241 1.00 . A A . 2 VAL HA 1 1 9 2729 1 1 2 VAL HB H -3.836 4.911 -13.618 1.00 . A A . 2 VAL HB 1 1 9 2730 1 1 2 VAL HG11 H -3.397 3.321 -11.866 1.00 . A A . 2 VAL HG11 1 1 9 2731 1 1 2 VAL HG12 H -2.677 2.671 -13.338 1.00 . A A . 2 VAL HG12 1 1 9 2732 1 1 2 VAL HG13 H -4.213 2.033 -12.752 1.00 . A A . 2 VAL HG13 1 1 9 2733 1 1 2 VAL HG21 H -4.951 4.242 -15.720 1.00 . A A . 2 VAL HG21 1 1 9 2734 1 1 2 VAL HG22 H -4.944 2.561 -15.189 1.00 . A A . 2 VAL HG22 1 1 9 2735 1 1 2 VAL HG23 H -3.421 3.387 -15.520 1.00 . A A . 2 VAL HG23 1 1 9 2736 1 1 2 VAL N N -6.480 5.163 -13.880 1.00 . A A . 2 VAL N 1 1 9 2737 1 1 2 VAL O O -5.619 3.615 -10.789 1.00 . A A . 2 VAL O 1 1 9 2738 1 1 3 VAL C C -6.644 5.431 -9.092 1.00 . A A . 3 VAL C 1 1 9 2739 1 1 3 VAL CA C -5.714 6.254 -9.978 1.00 . A A . 3 VAL CA 1 1 9 2740 1 1 3 VAL CB C -6.113 7.722 -9.910 1.00 . A A . 3 VAL CB 1 1 9 2741 1 1 3 VAL CG1 C -6.062 8.201 -8.459 1.00 . A A . 3 VAL CG1 1 1 9 2742 1 1 3 VAL CG2 C -5.147 8.554 -10.758 1.00 . A A . 3 VAL CG2 1 1 9 2743 1 1 3 VAL H H -5.841 6.441 -12.085 1.00 . A A . 3 VAL H 1 1 9 2744 1 1 3 VAL HA H -4.710 6.159 -9.616 1.00 . A A . 3 VAL HA 1 1 9 2745 1 1 3 VAL HB H -7.109 7.830 -10.289 1.00 . A A . 3 VAL HB 1 1 9 2746 1 1 3 VAL HG11 H -5.141 7.869 -8.002 1.00 . A A . 3 VAL HG11 1 1 9 2747 1 1 3 VAL HG12 H -6.901 7.792 -7.915 1.00 . A A . 3 VAL HG12 1 1 9 2748 1 1 3 VAL HG13 H -6.109 9.280 -8.433 1.00 . A A . 3 VAL HG13 1 1 9 2749 1 1 3 VAL HG21 H -4.182 8.587 -10.275 1.00 . A A . 3 VAL HG21 1 1 9 2750 1 1 3 VAL HG22 H -5.533 9.557 -10.861 1.00 . A A . 3 VAL HG22 1 1 9 2751 1 1 3 VAL HG23 H -5.046 8.104 -11.735 1.00 . A A . 3 VAL HG23 1 1 9 2752 1 1 3 VAL N N -5.766 5.787 -11.359 1.00 . A A . 3 VAL N 1 1 9 2753 1 1 3 VAL O O -6.238 4.940 -8.039 1.00 . A A . 3 VAL O 1 1 9 2754 1 1 4 ASP C C -8.343 3.121 -8.458 1.00 . A A . 4 ASP C 1 1 9 2755 1 1 4 ASP CA C -8.870 4.521 -8.759 1.00 . A A . 4 ASP CA 1 1 9 2756 1 1 4 ASP CB C -10.180 4.417 -9.543 1.00 . A A . 4 ASP CB 1 1 9 2757 1 1 4 ASP CG C -11.301 3.950 -8.623 1.00 . A A . 4 ASP CG 1 1 9 2758 1 1 4 ASP H H -8.159 5.700 -10.371 1.00 . A A . 4 ASP H 1 1 9 2759 1 1 4 ASP HA H -9.062 5.031 -7.828 1.00 . A A . 4 ASP HA 1 1 9 2760 1 1 4 ASP HB2 H -10.431 5.388 -9.951 1.00 . A A . 4 ASP HB2 1 1 9 2761 1 1 4 ASP HB3 H -10.059 3.705 -10.350 1.00 . A A . 4 ASP HB3 1 1 9 2762 1 1 4 ASP N N -7.891 5.286 -9.524 1.00 . A A . 4 ASP N 1 1 9 2763 1 1 4 ASP O O -8.599 2.569 -7.389 1.00 . A A . 4 ASP O 1 1 9 2764 1 1 4 ASP OD1 O -11.061 3.852 -7.431 1.00 . A A . 4 ASP OD1 1 1 9 2765 1 1 4 ASP OD2 O -12.384 3.695 -9.124 1.00 . A A . 4 ASP OD2 1 1 9 2766 1 1 5 ILE C C -5.799 1.265 -8.360 1.00 . A A . 5 ILE C 1 1 9 2767 1 1 5 ILE CA C -7.051 1.216 -9.232 1.00 . A A . 5 ILE CA 1 1 9 2768 1 1 5 ILE CB C -6.703 0.613 -10.594 1.00 . A A . 5 ILE CB 1 1 9 2769 1 1 5 ILE CD1 C -7.534 0.210 -12.917 1.00 . A A . 5 ILE CD1 1 1 9 2770 1 1 5 ILE CG1 C -7.890 0.785 -11.544 1.00 . A A . 5 ILE CG1 1 1 9 2771 1 1 5 ILE CG2 C -6.394 -0.877 -10.428 1.00 . A A . 5 ILE CG2 1 1 9 2772 1 1 5 ILE H H -7.435 3.040 -10.240 1.00 . A A . 5 ILE H 1 1 9 2773 1 1 5 ILE HA H -7.787 0.590 -8.752 1.00 . A A . 5 ILE HA 1 1 9 2774 1 1 5 ILE HB H -5.838 1.116 -11.000 1.00 . A A . 5 ILE HB 1 1 9 2775 1 1 5 ILE HD11 H -7.564 -0.868 -12.875 1.00 . A A . 5 ILE HD11 1 1 9 2776 1 1 5 ILE HD12 H -6.542 0.532 -13.196 1.00 . A A . 5 ILE HD12 1 1 9 2777 1 1 5 ILE HD13 H -8.246 0.562 -13.650 1.00 . A A . 5 ILE HD13 1 1 9 2778 1 1 5 ILE HG12 H -8.749 0.262 -11.146 1.00 . A A . 5 ILE HG12 1 1 9 2779 1 1 5 ILE HG13 H -8.121 1.837 -11.646 1.00 . A A . 5 ILE HG13 1 1 9 2780 1 1 5 ILE HG21 H -6.061 -1.283 -11.372 1.00 . A A . 5 ILE HG21 1 1 9 2781 1 1 5 ILE HG22 H -7.286 -1.396 -10.109 1.00 . A A . 5 ILE HG22 1 1 9 2782 1 1 5 ILE HG23 H -5.619 -1.004 -9.688 1.00 . A A . 5 ILE HG23 1 1 9 2783 1 1 5 ILE N N -7.606 2.553 -9.408 1.00 . A A . 5 ILE N 1 1 9 2784 1 1 5 ILE O O -5.558 0.367 -7.553 1.00 . A A . 5 ILE O 1 1 9 2785 1 1 6 LEU C C -4.115 2.848 -6.309 1.00 . A A . 6 LEU C 1 1 9 2786 1 1 6 LEU CA C -3.782 2.475 -7.753 1.00 . A A . 6 LEU CA 1 1 9 2787 1 1 6 LEU CB C -2.902 3.564 -8.388 1.00 . A A . 6 LEU CB 1 1 9 2788 1 1 6 LEU CD1 C -1.076 2.991 -6.760 1.00 . A A . 6 LEU CD1 1 1 9 2789 1 1 6 LEU CD2 C -1.083 1.945 -9.042 1.00 . A A . 6 LEU CD2 1 1 9 2790 1 1 6 LEU CG C -1.413 3.214 -8.238 1.00 . A A . 6 LEU CG 1 1 9 2791 1 1 6 LEU H H -5.250 3.003 -9.187 1.00 . A A . 6 LEU H 1 1 9 2792 1 1 6 LEU HA H -3.248 1.538 -7.756 1.00 . A A . 6 LEU HA 1 1 9 2793 1 1 6 LEU HB2 H -3.145 3.648 -9.438 1.00 . A A . 6 LEU HB2 1 1 9 2794 1 1 6 LEU HB3 H -3.094 4.510 -7.904 1.00 . A A . 6 LEU HB3 1 1 9 2795 1 1 6 LEU HD11 H -1.392 2.003 -6.462 1.00 . A A . 6 LEU HD11 1 1 9 2796 1 1 6 LEU HD12 H -1.586 3.729 -6.159 1.00 . A A . 6 LEU HD12 1 1 9 2797 1 1 6 LEU HD13 H -0.010 3.085 -6.616 1.00 . A A . 6 LEU HD13 1 1 9 2798 1 1 6 LEU HD21 H -1.807 1.815 -9.833 1.00 . A A . 6 LEU HD21 1 1 9 2799 1 1 6 LEU HD22 H -1.106 1.083 -8.391 1.00 . A A . 6 LEU HD22 1 1 9 2800 1 1 6 LEU HD23 H -0.096 2.040 -9.472 1.00 . A A . 6 LEU HD23 1 1 9 2801 1 1 6 LEU HG H -0.820 4.036 -8.613 1.00 . A A . 6 LEU HG 1 1 9 2802 1 1 6 LEU N N -5.007 2.319 -8.529 1.00 . A A . 6 LEU N 1 1 9 2803 1 1 6 LEU O O -3.388 2.495 -5.381 1.00 . A A . 6 LEU O 1 1 9 2804 1 1 7 LYS C C -5.765 2.754 -3.882 1.00 . A A . 7 LYS C 1 1 9 2805 1 1 7 LYS CA C -5.647 3.967 -4.799 1.00 . A A . 7 LYS CA 1 1 9 2806 1 1 7 LYS CB C -6.985 4.688 -4.895 1.00 . A A . 7 LYS CB 1 1 9 2807 1 1 7 LYS CD C -7.445 4.879 -2.414 1.00 . A A . 7 LYS CD 1 1 9 2808 1 1 7 LYS CE C -6.204 4.897 -1.515 1.00 . A A . 7 LYS CE 1 1 9 2809 1 1 7 LYS CG C -7.167 5.657 -3.715 1.00 . A A . 7 LYS CG 1 1 9 2810 1 1 7 LYS H H -5.771 3.806 -6.902 1.00 . A A . 7 LYS H 1 1 9 2811 1 1 7 LYS HA H -4.925 4.641 -4.395 1.00 . A A . 7 LYS HA 1 1 9 2812 1 1 7 LYS HB2 H -7.026 5.242 -5.822 1.00 . A A . 7 LYS HB2 1 1 9 2813 1 1 7 LYS HB3 H -7.763 3.961 -4.885 1.00 . A A . 7 LYS HB3 1 1 9 2814 1 1 7 LYS HD2 H -8.269 5.342 -1.889 1.00 . A A . 7 LYS HD2 1 1 9 2815 1 1 7 LYS HD3 H -7.703 3.856 -2.644 1.00 . A A . 7 LYS HD3 1 1 9 2816 1 1 7 LYS HE2 H -6.269 4.095 -0.795 1.00 . A A . 7 LYS HE2 1 1 9 2817 1 1 7 LYS HE3 H -5.318 4.768 -2.117 1.00 . A A . 7 LYS HE3 1 1 9 2818 1 1 7 LYS HG2 H -6.274 6.254 -3.599 1.00 . A A . 7 LYS HG2 1 1 9 2819 1 1 7 LYS HG3 H -8.003 6.311 -3.923 1.00 . A A . 7 LYS HG3 1 1 9 2820 1 1 7 LYS HZ1 H -6.800 6.871 -1.226 1.00 . A A . 7 LYS HZ1 1 1 9 2821 1 1 7 LYS HZ2 H -5.164 6.583 -0.870 1.00 . A A . 7 LYS HZ2 1 1 9 2822 1 1 7 LYS HZ3 H -6.375 6.063 0.202 1.00 . A A . 7 LYS HZ3 1 1 9 2823 1 1 7 LYS N N -5.224 3.557 -6.128 1.00 . A A . 7 LYS N 1 1 9 2824 1 1 7 LYS NZ N -6.130 6.201 -0.797 1.00 . A A . 7 LYS NZ 1 1 9 2825 1 1 7 LYS O O -5.007 2.611 -2.923 1.00 . A A . 7 LYS O 1 1 9 2826 1 1 8 GLY C C -5.617 -0.098 -3.233 1.00 . A A . 8 GLY C 1 1 9 2827 1 1 8 GLY CA C -6.921 0.678 -3.386 1.00 . A A . 8 GLY CA 1 1 9 2828 1 1 8 GLY H H -7.290 2.041 -4.966 1.00 . A A . 8 GLY H 1 1 9 2829 1 1 8 GLY HA2 H -7.284 0.962 -2.405 1.00 . A A . 8 GLY HA2 1 1 9 2830 1 1 8 GLY HA3 H -7.653 0.045 -3.871 1.00 . A A . 8 GLY HA3 1 1 9 2831 1 1 8 GLY N N -6.717 1.878 -4.187 1.00 . A A . 8 GLY N 1 1 9 2832 1 1 8 GLY O O -5.363 -0.705 -2.193 1.00 . A A . 8 GLY O 1 1 9 2833 1 1 9 ALA C C -2.511 -0.030 -3.378 1.00 . A A . 9 ALA C 1 1 9 2834 1 1 9 ALA CA C -3.517 -0.778 -4.248 1.00 . A A . 9 ALA CA 1 1 9 2835 1 1 9 ALA CB C -2.965 -0.915 -5.667 1.00 . A A . 9 ALA CB 1 1 9 2836 1 1 9 ALA H H -5.050 0.428 -5.079 1.00 . A A . 9 ALA H 1 1 9 2837 1 1 9 ALA HA H -3.670 -1.764 -3.837 1.00 . A A . 9 ALA HA 1 1 9 2838 1 1 9 ALA HB1 H -3.747 -1.261 -6.326 1.00 . A A . 9 ALA HB1 1 1 9 2839 1 1 9 ALA HB2 H -2.151 -1.624 -5.670 1.00 . A A . 9 ALA HB2 1 1 9 2840 1 1 9 ALA HB3 H -2.606 0.045 -6.008 1.00 . A A . 9 ALA HB3 1 1 9 2841 1 1 9 ALA N N -4.795 -0.074 -4.276 1.00 . A A . 9 ALA N 1 1 9 2842 1 1 9 ALA O O -1.621 -0.635 -2.780 1.00 . A A . 9 ALA O 1 1 9 2843 1 1 10 ALA C C -1.657 1.601 -1.093 1.00 . A A . 10 ALA C 1 1 9 2844 1 1 10 ALA CA C -1.750 2.116 -2.527 1.00 . A A . 10 ALA CA 1 1 9 2845 1 1 10 ALA CB C -2.242 3.565 -2.518 1.00 . A A . 10 ALA CB 1 1 9 2846 1 1 10 ALA H H -3.381 1.716 -3.821 1.00 . A A . 10 ALA H 1 1 9 2847 1 1 10 ALA HA H -0.768 2.085 -2.974 1.00 . A A . 10 ALA HA 1 1 9 2848 1 1 10 ALA HB1 H -2.546 3.848 -3.516 1.00 . A A . 10 ALA HB1 1 1 9 2849 1 1 10 ALA HB2 H -1.446 4.214 -2.187 1.00 . A A . 10 ALA HB2 1 1 9 2850 1 1 10 ALA HB3 H -3.083 3.655 -1.847 1.00 . A A . 10 ALA HB3 1 1 9 2851 1 1 10 ALA N N -2.656 1.290 -3.319 1.00 . A A . 10 ALA N 1 1 9 2852 1 1 10 ALA O O -0.666 1.843 -0.403 1.00 . A A . 10 ALA O 1 1 9 2853 1 1 11 LYS C C -1.704 -0.792 0.838 1.00 . A A . 11 LYS C 1 1 9 2854 1 1 11 LYS CA C -2.700 0.356 0.710 1.00 . A A . 11 LYS CA 1 1 9 2855 1 1 11 LYS CB C -4.107 -0.131 1.076 1.00 . A A . 11 LYS CB 1 1 9 2856 1 1 11 LYS CD C -4.194 -2.645 1.229 1.00 . A A . 11 LYS CD 1 1 9 2857 1 1 11 LYS CE C -5.419 -2.874 2.120 1.00 . A A . 11 LYS CE 1 1 9 2858 1 1 11 LYS CG C -4.433 -1.431 0.320 1.00 . A A . 11 LYS CG 1 1 9 2859 1 1 11 LYS H H -3.454 0.730 -1.238 1.00 . A A . 11 LYS H 1 1 9 2860 1 1 11 LYS HA H -2.415 1.140 1.396 1.00 . A A . 11 LYS HA 1 1 9 2861 1 1 11 LYS HB2 H -4.158 -0.307 2.140 1.00 . A A . 11 LYS HB2 1 1 9 2862 1 1 11 LYS HB3 H -4.827 0.628 0.807 1.00 . A A . 11 LYS HB3 1 1 9 2863 1 1 11 LYS HD2 H -4.025 -3.520 0.620 1.00 . A A . 11 LYS HD2 1 1 9 2864 1 1 11 LYS HD3 H -3.330 -2.469 1.851 1.00 . A A . 11 LYS HD3 1 1 9 2865 1 1 11 LYS HE2 H -5.140 -3.484 2.966 1.00 . A A . 11 LYS HE2 1 1 9 2866 1 1 11 LYS HE3 H -5.795 -1.923 2.470 1.00 . A A . 11 LYS HE3 1 1 9 2867 1 1 11 LYS HG2 H -5.472 -1.415 0.012 1.00 . A A . 11 LYS HG2 1 1 9 2868 1 1 11 LYS HG3 H -3.800 -1.510 -0.555 1.00 . A A . 11 LYS HG3 1 1 9 2869 1 1 11 LYS HZ1 H -7.121 -4.067 1.985 1.00 . A A . 11 LYS HZ1 1 1 9 2870 1 1 11 LYS HZ2 H -6.041 -4.254 0.689 1.00 . A A . 11 LYS HZ2 1 1 9 2871 1 1 11 LYS HZ3 H -7.021 -2.870 0.789 1.00 . A A . 11 LYS HZ3 1 1 9 2872 1 1 11 LYS N N -2.689 0.893 -0.647 1.00 . A A . 11 LYS N 1 1 9 2873 1 1 11 LYS NZ N -6.481 -3.569 1.336 1.00 . A A . 11 LYS NZ 1 1 9 2874 1 1 11 LYS O O -1.209 -1.079 1.928 1.00 . A A . 11 LYS O 1 1 9 2875 1 1 12 ASP C C 0.882 -2.124 0.253 1.00 . A A . 12 ASP C 1 1 9 2876 1 1 12 ASP CA C -0.478 -2.564 -0.282 1.00 . A A . 12 ASP CA 1 1 9 2877 1 1 12 ASP CB C -0.317 -3.109 -1.702 1.00 . A A . 12 ASP CB 1 1 9 2878 1 1 12 ASP CG C 0.377 -4.466 -1.662 1.00 . A A . 12 ASP CG 1 1 9 2879 1 1 12 ASP H H -1.841 -1.174 -1.122 1.00 . A A . 12 ASP H 1 1 9 2880 1 1 12 ASP HA H -0.868 -3.347 0.350 1.00 . A A . 12 ASP HA 1 1 9 2881 1 1 12 ASP HB2 H -1.295 -3.220 -2.156 1.00 . A A . 12 ASP HB2 1 1 9 2882 1 1 12 ASP HB3 H 0.278 -2.420 -2.286 1.00 . A A . 12 ASP HB3 1 1 9 2883 1 1 12 ASP N N -1.416 -1.446 -0.282 1.00 . A A . 12 ASP N 1 1 9 2884 1 1 12 ASP O O 1.384 -2.682 1.229 1.00 . A A . 12 ASP O 1 1 9 2885 1 1 12 ASP OD1 O 1.594 -4.489 -1.725 1.00 . A A . 12 ASP OD1 1 1 9 2886 1 1 12 ASP OD2 O -0.321 -5.464 -1.570 1.00 . A A . 12 ASP OD2 1 1 9 2887 1 1 13 ILE C C 2.756 -0.251 1.508 1.00 . A A . 13 ILE C 1 1 9 2888 1 1 13 ILE CA C 2.774 -0.622 0.028 1.00 . A A . 13 ILE CA 1 1 9 2889 1 1 13 ILE CB C 3.159 0.608 -0.801 1.00 . A A . 13 ILE CB 1 1 9 2890 1 1 13 ILE CD1 C 1.920 0.760 -2.984 1.00 . A A . 13 ILE CD1 1 1 9 2891 1 1 13 ILE CG1 C 3.186 0.241 -2.297 1.00 . A A . 13 ILE CG1 1 1 9 2892 1 1 13 ILE CG2 C 4.543 1.096 -0.366 1.00 . A A . 13 ILE CG2 1 1 9 2893 1 1 13 ILE H H 1.024 -0.719 -1.164 1.00 . A A . 13 ILE H 1 1 9 2894 1 1 13 ILE HA H 3.514 -1.391 -0.130 1.00 . A A . 13 ILE HA 1 1 9 2895 1 1 13 ILE HB H 2.436 1.394 -0.631 1.00 . A A . 13 ILE HB 1 1 9 2896 1 1 13 ILE HD11 H 2.014 1.824 -3.153 1.00 . A A . 13 ILE HD11 1 1 9 2897 1 1 13 ILE HD12 H 1.064 0.572 -2.354 1.00 . A A . 13 ILE HD12 1 1 9 2898 1 1 13 ILE HD13 H 1.790 0.256 -3.930 1.00 . A A . 13 ILE HD13 1 1 9 2899 1 1 13 ILE HG12 H 4.054 0.689 -2.764 1.00 . A A . 13 ILE HG12 1 1 9 2900 1 1 13 ILE HG13 H 3.235 -0.834 -2.407 1.00 . A A . 13 ILE HG13 1 1 9 2901 1 1 13 ILE HG21 H 4.899 1.839 -1.063 1.00 . A A . 13 ILE HG21 1 1 9 2902 1 1 13 ILE HG22 H 5.230 0.261 -0.348 1.00 . A A . 13 ILE HG22 1 1 9 2903 1 1 13 ILE HG23 H 4.478 1.529 0.622 1.00 . A A . 13 ILE HG23 1 1 9 2904 1 1 13 ILE N N 1.472 -1.124 -0.393 1.00 . A A . 13 ILE N 1 1 9 2905 1 1 13 ILE O O 3.633 -0.655 2.271 1.00 . A A . 13 ILE O 1 1 9 2906 1 1 14 ALA C C 1.629 -0.264 4.228 1.00 . A A . 14 ALA C 1 1 9 2907 1 1 14 ALA CA C 1.629 0.944 3.297 1.00 . A A . 14 ALA CA 1 1 9 2908 1 1 14 ALA CB C 0.338 1.740 3.490 1.00 . A A . 14 ALA CB 1 1 9 2909 1 1 14 ALA H H 1.082 0.816 1.254 1.00 . A A . 14 ALA H 1 1 9 2910 1 1 14 ALA HA H 2.468 1.577 3.546 1.00 . A A . 14 ALA HA 1 1 9 2911 1 1 14 ALA HB1 H -0.511 1.094 3.325 1.00 . A A . 14 ALA HB1 1 1 9 2912 1 1 14 ALA HB2 H 0.310 2.557 2.784 1.00 . A A . 14 ALA HB2 1 1 9 2913 1 1 14 ALA HB3 H 0.302 2.131 4.496 1.00 . A A . 14 ALA HB3 1 1 9 2914 1 1 14 ALA N N 1.752 0.523 1.907 1.00 . A A . 14 ALA N 1 1 9 2915 1 1 14 ALA O O 2.411 -0.330 5.177 1.00 . A A . 14 ALA O 1 1 9 2916 1 1 15 GLY C C 1.866 -3.318 4.569 1.00 . A A . 15 GLY C 1 1 9 2917 1 1 15 GLY CA C 0.651 -2.420 4.771 1.00 . A A . 15 GLY CA 1 1 9 2918 1 1 15 GLY H H 0.147 -1.112 3.183 1.00 . A A . 15 GLY H 1 1 9 2919 1 1 15 GLY HA2 H 0.590 -2.132 5.815 1.00 . A A . 15 GLY HA2 1 1 9 2920 1 1 15 GLY HA3 H -0.241 -2.966 4.497 1.00 . A A . 15 GLY HA3 1 1 9 2921 1 1 15 GLY N N 0.746 -1.218 3.951 1.00 . A A . 15 GLY N 1 1 9 2922 1 1 15 GLY O O 1.956 -4.397 5.156 1.00 . A A . 15 GLY O 1 1 9 2923 1 1 16 HIS C C 5.090 -3.331 4.493 1.00 . A A . 16 HIS C 1 1 9 2924 1 1 16 HIS CA C 4.006 -3.641 3.463 1.00 . A A . 16 HIS CA 1 1 9 2925 1 1 16 HIS CB C 4.521 -3.329 2.061 1.00 . A A . 16 HIS CB 1 1 9 2926 1 1 16 HIS CD2 C 5.016 -5.511 0.682 1.00 . A A . 16 HIS CD2 1 1 9 2927 1 1 16 HIS CE1 C 7.076 -5.806 1.286 1.00 . A A . 16 HIS CE1 1 1 9 2928 1 1 16 HIS CG C 5.328 -4.488 1.543 1.00 . A A . 16 HIS CG 1 1 9 2929 1 1 16 HIS H H 2.674 -2.000 3.296 1.00 . A A . 16 HIS H 1 1 9 2930 1 1 16 HIS HA H 3.769 -4.687 3.515 1.00 . A A . 16 HIS HA 1 1 9 2931 1 1 16 HIS HB2 H 3.685 -3.149 1.402 1.00 . A A . 16 HIS HB2 1 1 9 2932 1 1 16 HIS HB3 H 5.140 -2.453 2.100 1.00 . A A . 16 HIS HB3 1 1 9 2933 1 1 16 HIS HD2 H 4.058 -5.650 0.203 1.00 . A A . 16 HIS HD2 1 1 9 2934 1 1 16 HIS HE1 H 8.072 -6.213 1.388 1.00 . A A . 16 HIS HE1 1 1 9 2935 1 1 16 HIS HE2 H 6.185 -7.147 -0.034 1.00 . A A . 16 HIS HE2 1 1 9 2936 1 1 16 HIS N N 2.799 -2.868 3.736 1.00 . A A . 16 HIS N 1 1 9 2937 1 1 16 HIS ND1 N 6.646 -4.698 1.916 1.00 . A A . 16 HIS ND1 1 1 9 2938 1 1 16 HIS NE2 N 6.121 -6.342 0.522 1.00 . A A . 16 HIS NE2 1 1 9 2939 1 1 16 HIS O O 5.419 -4.169 5.332 1.00 . A A . 16 HIS O 1 1 9 2940 1 1 17 LEU C C 6.164 -1.725 6.782 1.00 . A A . 17 LEU C 1 1 9 2941 1 1 17 LEU CA C 6.682 -1.715 5.348 1.00 . A A . 17 LEU CA 1 1 9 2942 1 1 17 LEU CB C 7.167 -0.311 4.979 1.00 . A A . 17 LEU CB 1 1 9 2943 1 1 17 LEU CD1 C 6.021 1.502 6.283 1.00 . A A . 17 LEU CD1 1 1 9 2944 1 1 17 LEU CD2 C 6.089 1.616 3.790 1.00 . A A . 17 LEU CD2 1 1 9 2945 1 1 17 LEU CG C 5.991 0.675 4.994 1.00 . A A . 17 LEU CG 1 1 9 2946 1 1 17 LEU H H 5.344 -1.494 3.736 1.00 . A A . 17 LEU H 1 1 9 2947 1 1 17 LEU HA H 7.511 -2.401 5.269 1.00 . A A . 17 LEU HA 1 1 9 2948 1 1 17 LEU HB2 H 7.901 0.002 5.694 1.00 . A A . 17 LEU HB2 1 1 9 2949 1 1 17 LEU HB3 H 7.607 -0.334 3.989 1.00 . A A . 17 LEU HB3 1 1 9 2950 1 1 17 LEU HD11 H 6.107 0.841 7.134 1.00 . A A . 17 LEU HD11 1 1 9 2951 1 1 17 LEU HD12 H 5.110 2.075 6.364 1.00 . A A . 17 LEU HD12 1 1 9 2952 1 1 17 LEU HD13 H 6.867 2.172 6.261 1.00 . A A . 17 LEU HD13 1 1 9 2953 1 1 17 LEU HD21 H 5.831 1.078 2.889 1.00 . A A . 17 LEU HD21 1 1 9 2954 1 1 17 LEU HD22 H 7.099 1.991 3.708 1.00 . A A . 17 LEU HD22 1 1 9 2955 1 1 17 LEU HD23 H 5.408 2.444 3.923 1.00 . A A . 17 LEU HD23 1 1 9 2956 1 1 17 LEU HG H 5.067 0.127 4.946 1.00 . A A . 17 LEU HG 1 1 9 2957 1 1 17 LEU N N 5.641 -2.124 4.423 1.00 . A A . 17 LEU N 1 1 9 2958 1 1 17 LEU O O 6.864 -2.146 7.702 1.00 . A A . 17 LEU O 1 1 9 2959 1 1 18 ALA C C 4.413 -2.596 8.955 1.00 . A A . 18 ALA C 1 1 9 2960 1 1 18 ALA CA C 4.332 -1.223 8.294 1.00 . A A . 18 ALA CA 1 1 9 2961 1 1 18 ALA CB C 2.869 -0.787 8.194 1.00 . A A . 18 ALA CB 1 1 9 2962 1 1 18 ALA H H 4.418 -0.938 6.196 1.00 . A A . 18 ALA H 1 1 9 2963 1 1 18 ALA HA H 4.867 -0.509 8.901 1.00 . A A . 18 ALA HA 1 1 9 2964 1 1 18 ALA HB1 H 2.524 -0.453 9.162 1.00 . A A . 18 ALA HB1 1 1 9 2965 1 1 18 ALA HB2 H 2.265 -1.621 7.865 1.00 . A A . 18 ALA HB2 1 1 9 2966 1 1 18 ALA HB3 H 2.781 0.022 7.482 1.00 . A A . 18 ALA HB3 1 1 9 2967 1 1 18 ALA N N 4.932 -1.260 6.966 1.00 . A A . 18 ALA N 1 1 9 2968 1 1 18 ALA O O 4.497 -2.703 10.178 1.00 . A A . 18 ALA O 1 1 9 2969 1 1 19 SER C C 5.739 -5.218 9.441 1.00 . A A . 19 SER C 1 1 9 2970 1 1 19 SER CA C 4.455 -5.005 8.648 1.00 . A A . 19 SER CA 1 1 9 2971 1 1 19 SER CB C 4.414 -5.995 7.485 1.00 . A A . 19 SER CB 1 1 9 2972 1 1 19 SER H H 4.316 -3.494 7.169 1.00 . A A . 19 SER H 1 1 9 2973 1 1 19 SER HA H 3.608 -5.186 9.290 1.00 . A A . 19 SER HA 1 1 9 2974 1 1 19 SER HB2 H 4.149 -6.972 7.851 1.00 . A A . 19 SER HB2 1 1 9 2975 1 1 19 SER HB3 H 3.677 -5.670 6.763 1.00 . A A . 19 SER HB3 1 1 9 2976 1 1 19 SER HG H 5.586 -6.396 5.985 1.00 . A A . 19 SER HG 1 1 9 2977 1 1 19 SER N N 4.385 -3.641 8.135 1.00 . A A . 19 SER N 1 1 9 2978 1 1 19 SER O O 5.702 -5.517 10.635 1.00 . A A . 19 SER O 1 1 9 2979 1 1 19 SER OG O 5.696 -6.056 6.876 1.00 . A A . 19 SER OG 1 1 9 2980 1 1 20 LYS C C 8.337 -4.281 10.573 1.00 . A A . 20 LYS C 1 1 9 2981 1 1 20 LYS CA C 8.167 -5.249 9.406 1.00 . A A . 20 LYS CA 1 1 9 2982 1 1 20 LYS CB C 9.285 -5.031 8.390 1.00 . A A . 20 LYS CB 1 1 9 2983 1 1 20 LYS CD C 10.597 -7.169 8.384 1.00 . A A . 20 LYS CD 1 1 9 2984 1 1 20 LYS CE C 11.688 -7.939 9.132 1.00 . A A . 20 LYS CE 1 1 9 2985 1 1 20 LYS CG C 10.572 -5.717 8.869 1.00 . A A . 20 LYS CG 1 1 9 2986 1 1 20 LYS H H 6.832 -4.835 7.814 1.00 . A A . 20 LYS H 1 1 9 2987 1 1 20 LYS HA H 8.235 -6.253 9.778 1.00 . A A . 20 LYS HA 1 1 9 2988 1 1 20 LYS HB2 H 8.988 -5.440 7.435 1.00 . A A . 20 LYS HB2 1 1 9 2989 1 1 20 LYS HB3 H 9.461 -3.978 8.287 1.00 . A A . 20 LYS HB3 1 1 9 2990 1 1 20 LYS HD2 H 9.637 -7.629 8.572 1.00 . A A . 20 LYS HD2 1 1 9 2991 1 1 20 LYS HD3 H 10.805 -7.191 7.325 1.00 . A A . 20 LYS HD3 1 1 9 2992 1 1 20 LYS HE2 H 11.871 -8.879 8.633 1.00 . A A . 20 LYS HE2 1 1 9 2993 1 1 20 LYS HE3 H 12.596 -7.354 9.143 1.00 . A A . 20 LYS HE3 1 1 9 2994 1 1 20 LYS HG2 H 11.428 -5.192 8.470 1.00 . A A . 20 LYS HG2 1 1 9 2995 1 1 20 LYS HG3 H 10.613 -5.699 9.948 1.00 . A A . 20 LYS HG3 1 1 9 2996 1 1 20 LYS HZ1 H 11.134 -9.220 10.676 1.00 . A A . 20 LYS HZ1 1 1 9 2997 1 1 20 LYS HZ2 H 10.333 -7.721 10.699 1.00 . A A . 20 LYS HZ2 1 1 9 2998 1 1 20 LYS HZ3 H 11.956 -7.830 11.193 1.00 . A A . 20 LYS HZ3 1 1 9 2999 1 1 20 LYS N N 6.871 -5.067 8.764 1.00 . A A . 20 LYS N 1 1 9 3000 1 1 20 LYS NZ N 11.244 -8.197 10.531 1.00 . A A . 20 LYS NZ 1 1 9 3001 1 1 20 LYS O O 8.876 -4.643 11.619 1.00 . A A . 20 LYS O 1 1 9 3002 1 1 21 VAL C C 7.400 -2.571 12.746 1.00 . A A . 21 VAL C 1 1 9 3003 1 1 21 VAL CA C 7.982 -2.041 11.439 1.00 . A A . 21 VAL CA 1 1 9 3004 1 1 21 VAL CB C 7.241 -0.769 11.021 1.00 . A A . 21 VAL CB 1 1 9 3005 1 1 21 VAL CG1 C 7.206 0.214 12.194 1.00 . A A . 21 VAL CG1 1 1 9 3006 1 1 21 VAL CG2 C 7.966 -0.124 9.837 1.00 . A A . 21 VAL CG2 1 1 9 3007 1 1 21 VAL H H 7.452 -2.813 9.538 1.00 . A A . 21 VAL H 1 1 9 3008 1 1 21 VAL HA H 9.024 -1.804 11.591 1.00 . A A . 21 VAL HA 1 1 9 3009 1 1 21 VAL HB H 6.230 -1.020 10.733 1.00 . A A . 21 VAL HB 1 1 9 3010 1 1 21 VAL HG11 H 6.490 -0.125 12.927 1.00 . A A . 21 VAL HG11 1 1 9 3011 1 1 21 VAL HG12 H 6.919 1.192 11.835 1.00 . A A . 21 VAL HG12 1 1 9 3012 1 1 21 VAL HG13 H 8.185 0.270 12.646 1.00 . A A . 21 VAL HG13 1 1 9 3013 1 1 21 VAL HG21 H 8.858 0.375 10.189 1.00 . A A . 21 VAL HG21 1 1 9 3014 1 1 21 VAL HG22 H 7.314 0.596 9.364 1.00 . A A . 21 VAL HG22 1 1 9 3015 1 1 21 VAL HG23 H 8.238 -0.886 9.123 1.00 . A A . 21 VAL HG23 1 1 9 3016 1 1 21 VAL N N 7.874 -3.048 10.390 1.00 . A A . 21 VAL N 1 1 9 3017 1 1 21 VAL O O 7.983 -2.389 13.815 1.00 . A A . 21 VAL O 1 1 9 3018 1 1 22 MET C C 6.218 -5.121 14.209 1.00 . A A . 22 MET C 1 1 9 3019 1 1 22 MET CA C 5.595 -3.780 13.833 1.00 . A A . 22 MET CA 1 1 9 3020 1 1 22 MET CB C 4.102 -3.968 13.563 1.00 . A A . 22 MET CB 1 1 9 3021 1 1 22 MET CE C 1.289 -1.102 13.977 1.00 . A A . 22 MET CE 1 1 9 3022 1 1 22 MET CG C 3.453 -2.604 13.319 1.00 . A A . 22 MET CG 1 1 9 3023 1 1 22 MET H H 5.830 -3.341 11.773 1.00 . A A . 22 MET H 1 1 9 3024 1 1 22 MET HA H 5.717 -3.094 14.656 1.00 . A A . 22 MET HA 1 1 9 3025 1 1 22 MET HB2 H 3.970 -4.592 12.688 1.00 . A A . 22 MET HB2 1 1 9 3026 1 1 22 MET HB3 H 3.637 -4.437 14.420 1.00 . A A . 22 MET HB3 1 1 9 3027 1 1 22 MET HE1 H 1.632 -0.381 13.248 1.00 . A A . 22 MET HE1 1 1 9 3028 1 1 22 MET HE2 H 1.796 -0.931 14.913 1.00 . A A . 22 MET HE2 1 1 9 3029 1 1 22 MET HE3 H 0.223 -0.997 14.122 1.00 . A A . 22 MET HE3 1 1 9 3030 1 1 22 MET HG2 H 3.779 -1.909 14.081 1.00 . A A . 22 MET HG2 1 1 9 3031 1 1 22 MET HG3 H 3.745 -2.237 12.343 1.00 . A A . 22 MET HG3 1 1 9 3032 1 1 22 MET N N 6.248 -3.226 12.651 1.00 . A A . 22 MET N 1 1 9 3033 1 1 22 MET O O 6.737 -5.287 15.313 1.00 . A A . 22 MET O 1 1 9 3034 1 1 22 MET SD S 1.653 -2.773 13.386 1.00 . A A . 22 MET SD 1 1 9 3035 1 1 23 ASN C C 8.153 -7.286 14.051 1.00 . A A . 23 ASN C 1 1 9 3036 1 1 23 ASN CA C 6.722 -7.398 13.533 1.00 . A A . 23 ASN CA 1 1 9 3037 1 1 23 ASN CB C 6.707 -8.221 12.243 1.00 . A A . 23 ASN CB 1 1 9 3038 1 1 23 ASN CG C 5.328 -8.153 11.596 1.00 . A A . 23 ASN CG 1 1 9 3039 1 1 23 ASN H H 5.734 -5.886 12.424 1.00 . A A . 23 ASN H 1 1 9 3040 1 1 23 ASN HA H 6.120 -7.902 14.274 1.00 . A A . 23 ASN HA 1 1 9 3041 1 1 23 ASN HB2 H 7.445 -7.829 11.558 1.00 . A A . 23 ASN HB2 1 1 9 3042 1 1 23 ASN HB3 H 6.942 -9.250 12.472 1.00 . A A . 23 ASN HB3 1 1 9 3043 1 1 23 ASN HD21 H 4.407 -7.630 13.276 1.00 . A A . 23 ASN HD21 1 1 9 3044 1 1 23 ASN HD22 H 3.404 -7.781 11.915 1.00 . A A . 23 ASN HD22 1 1 9 3045 1 1 23 ASN N N 6.161 -6.074 13.286 1.00 . A A . 23 ASN N 1 1 9 3046 1 1 23 ASN ND2 N 4.294 -7.828 12.323 1.00 . A A . 23 ASN ND2 1 1 9 3047 1 1 23 ASN O O 8.719 -8.264 14.540 1.00 . A A . 23 ASN O 1 1 9 3048 1 1 23 ASN OD1 O 5.189 -8.402 10.399 1.00 . A A . 23 ASN OD1 1 1 9 3049 1 1 24 NH2 HN1 H 8.320 -5.360 13.578 1.00 . A A . 24 NH2 HN1 1 1 9 3050 1 1 24 NH2 HN2 H 9.703 -6.064 14.305 1.00 . A A . 24 NH2 HN2 1 1 9 3051 1 1 24 NH2 N N 8.775 -6.142 13.972 1.00 . A A . 24 NH2 N 1 1 10 3052 1 1 1 GLY C C -9.923 4.348 -12.208 1.00 . A A . 1 GLY C 1 1 10 3053 1 1 1 GLY CA C -11.198 5.056 -12.650 1.00 . A A . 1 GLY CA 1 1 10 3054 1 1 1 GLY H1 H -12.831 3.833 -13.072 1.00 . A A . 1 GLY H1 1 1 10 3055 1 1 1 GLY H2 H -13.065 4.869 -11.746 1.00 . A A . 1 GLY H2 1 1 10 3056 1 1 1 GLY H3 H -12.079 3.494 -11.591 1.00 . A A . 1 GLY H3 1 1 10 3057 1 1 1 GLY HA2 H -11.198 5.161 -13.729 1.00 . A A . 1 GLY HA2 1 1 10 3058 1 1 1 GLY HA3 H -11.244 6.032 -12.189 1.00 . A A . 1 GLY HA3 1 1 10 3059 1 1 1 GLY N N -12.383 4.252 -12.234 1.00 . A A . 1 GLY N 1 1 10 3060 1 1 1 GLY O O -9.854 3.805 -11.105 1.00 . A A . 1 GLY O 1 1 10 3061 1 1 2 VAL C C -7.099 4.227 -11.428 1.00 . A A . 2 VAL C 1 1 10 3062 1 1 2 VAL CA C -7.643 3.717 -12.759 1.00 . A A . 2 VAL CA 1 1 10 3063 1 1 2 VAL CB C -6.629 3.997 -13.868 1.00 . A A . 2 VAL CB 1 1 10 3064 1 1 2 VAL CG1 C -5.381 3.141 -13.648 1.00 . A A . 2 VAL CG1 1 1 10 3065 1 1 2 VAL CG2 C -7.249 3.652 -15.224 1.00 . A A . 2 VAL CG2 1 1 10 3066 1 1 2 VAL H H -9.026 4.811 -13.936 1.00 . A A . 2 VAL H 1 1 10 3067 1 1 2 VAL HA H -7.798 2.652 -12.689 1.00 . A A . 2 VAL HA 1 1 10 3068 1 1 2 VAL HB H -6.356 5.043 -13.850 1.00 . A A . 2 VAL HB 1 1 10 3069 1 1 2 VAL HG11 H -4.887 3.453 -12.739 1.00 . A A . 2 VAL HG11 1 1 10 3070 1 1 2 VAL HG12 H -4.708 3.263 -14.484 1.00 . A A . 2 VAL HG12 1 1 10 3071 1 1 2 VAL HG13 H -5.666 2.103 -13.563 1.00 . A A . 2 VAL HG13 1 1 10 3072 1 1 2 VAL HG21 H -7.982 4.402 -15.486 1.00 . A A . 2 VAL HG21 1 1 10 3073 1 1 2 VAL HG22 H -7.728 2.685 -15.165 1.00 . A A . 2 VAL HG22 1 1 10 3074 1 1 2 VAL HG23 H -6.476 3.626 -15.977 1.00 . A A . 2 VAL HG23 1 1 10 3075 1 1 2 VAL N N -8.914 4.361 -13.072 1.00 . A A . 2 VAL N 1 1 10 3076 1 1 2 VAL O O -6.556 3.459 -10.633 1.00 . A A . 2 VAL O 1 1 10 3077 1 1 3 VAL C C -7.222 5.319 -8.748 1.00 . A A . 3 VAL C 1 1 10 3078 1 1 3 VAL CA C -6.766 6.130 -9.956 1.00 . A A . 3 VAL CA 1 1 10 3079 1 1 3 VAL CB C -7.283 7.557 -9.839 1.00 . A A . 3 VAL CB 1 1 10 3080 1 1 3 VAL CG1 C -6.858 8.151 -8.495 1.00 . A A . 3 VAL CG1 1 1 10 3081 1 1 3 VAL CG2 C -6.707 8.404 -10.976 1.00 . A A . 3 VAL CG2 1 1 10 3082 1 1 3 VAL H H -7.687 6.090 -11.864 1.00 . A A . 3 VAL H 1 1 10 3083 1 1 3 VAL HA H -5.695 6.157 -9.975 1.00 . A A . 3 VAL HA 1 1 10 3084 1 1 3 VAL HB H -8.353 7.546 -9.904 1.00 . A A . 3 VAL HB 1 1 10 3085 1 1 3 VAL HG11 H -7.444 7.706 -7.704 1.00 . A A . 3 VAL HG11 1 1 10 3086 1 1 3 VAL HG12 H -7.018 9.219 -8.506 1.00 . A A . 3 VAL HG12 1 1 10 3087 1 1 3 VAL HG13 H -5.811 7.946 -8.326 1.00 . A A . 3 VAL HG13 1 1 10 3088 1 1 3 VAL HG21 H -5.645 8.532 -10.828 1.00 . A A . 3 VAL HG21 1 1 10 3089 1 1 3 VAL HG22 H -7.188 9.372 -10.984 1.00 . A A . 3 VAL HG22 1 1 10 3090 1 1 3 VAL HG23 H -6.883 7.908 -11.919 1.00 . A A . 3 VAL HG23 1 1 10 3091 1 1 3 VAL N N -7.247 5.527 -11.194 1.00 . A A . 3 VAL N 1 1 10 3092 1 1 3 VAL O O -6.417 4.960 -7.888 1.00 . A A . 3 VAL O 1 1 10 3093 1 1 4 ASP C C -8.287 2.981 -7.364 1.00 . A A . 4 ASP C 1 1 10 3094 1 1 4 ASP CA C -9.075 4.271 -7.577 1.00 . A A . 4 ASP CA 1 1 10 3095 1 1 4 ASP CB C -10.541 3.935 -7.857 1.00 . A A . 4 ASP CB 1 1 10 3096 1 1 4 ASP CG C -11.120 3.124 -6.703 1.00 . A A . 4 ASP CG 1 1 10 3097 1 1 4 ASP H H -9.115 5.351 -9.399 1.00 . A A . 4 ASP H 1 1 10 3098 1 1 4 ASP HA H -9.020 4.866 -6.678 1.00 . A A . 4 ASP HA 1 1 10 3099 1 1 4 ASP HB2 H -11.103 4.854 -7.968 1.00 . A A . 4 ASP HB2 1 1 10 3100 1 1 4 ASP HB3 H -10.607 3.357 -8.770 1.00 . A A . 4 ASP HB3 1 1 10 3101 1 1 4 ASP N N -8.520 5.037 -8.686 1.00 . A A . 4 ASP N 1 1 10 3102 1 1 4 ASP O O -8.081 2.549 -6.230 1.00 . A A . 4 ASP O 1 1 10 3103 1 1 4 ASP OD1 O -12.120 3.550 -6.150 1.00 . A A . 4 ASP OD1 1 1 10 3104 1 1 4 ASP OD2 O -10.554 2.090 -6.390 1.00 . A A . 4 ASP OD2 1 1 10 3105 1 1 5 ILE C C -5.631 1.412 -8.042 1.00 . A A . 5 ILE C 1 1 10 3106 1 1 5 ILE CA C -7.091 1.128 -8.382 1.00 . A A . 5 ILE CA 1 1 10 3107 1 1 5 ILE CB C -7.172 0.381 -9.714 1.00 . A A . 5 ILE CB 1 1 10 3108 1 1 5 ILE CD1 C -8.725 -0.406 -11.508 1.00 . A A . 5 ILE CD1 1 1 10 3109 1 1 5 ILE CG1 C -8.641 0.197 -10.105 1.00 . A A . 5 ILE CG1 1 1 10 3110 1 1 5 ILE CG2 C -6.508 -0.990 -9.572 1.00 . A A . 5 ILE CG2 1 1 10 3111 1 1 5 ILE H H -8.049 2.760 -9.339 1.00 . A A . 5 ILE H 1 1 10 3112 1 1 5 ILE HA H -7.516 0.506 -7.609 1.00 . A A . 5 ILE HA 1 1 10 3113 1 1 5 ILE HB H -6.662 0.951 -10.478 1.00 . A A . 5 ILE HB 1 1 10 3114 1 1 5 ILE HD11 H -8.180 0.218 -12.202 1.00 . A A . 5 ILE HD11 1 1 10 3115 1 1 5 ILE HD12 H -9.759 -0.464 -11.814 1.00 . A A . 5 ILE HD12 1 1 10 3116 1 1 5 ILE HD13 H -8.295 -1.397 -11.501 1.00 . A A . 5 ILE HD13 1 1 10 3117 1 1 5 ILE HG12 H -9.121 -0.466 -9.398 1.00 . A A . 5 ILE HG12 1 1 10 3118 1 1 5 ILE HG13 H -9.139 1.157 -10.098 1.00 . A A . 5 ILE HG13 1 1 10 3119 1 1 5 ILE HG21 H -6.994 -1.545 -8.784 1.00 . A A . 5 ILE HG21 1 1 10 3120 1 1 5 ILE HG22 H -5.463 -0.860 -9.331 1.00 . A A . 5 ILE HG22 1 1 10 3121 1 1 5 ILE HG23 H -6.598 -1.531 -10.502 1.00 . A A . 5 ILE HG23 1 1 10 3122 1 1 5 ILE N N -7.853 2.370 -8.462 1.00 . A A . 5 ILE N 1 1 10 3123 1 1 5 ILE O O -5.058 0.783 -7.152 1.00 . A A . 5 ILE O 1 1 10 3124 1 1 6 LEU C C -3.442 3.165 -7.072 1.00 . A A . 6 LEU C 1 1 10 3125 1 1 6 LEU CA C -3.640 2.719 -8.519 1.00 . A A . 6 LEU CA 1 1 10 3126 1 1 6 LEU CB C -3.225 3.847 -9.477 1.00 . A A . 6 LEU CB 1 1 10 3127 1 1 6 LEU CD1 C -0.885 3.636 -8.587 1.00 . A A . 6 LEU CD1 1 1 10 3128 1 1 6 LEU CD2 C -1.522 2.453 -10.706 1.00 . A A . 6 LEU CD2 1 1 10 3129 1 1 6 LEU CG C -1.741 3.715 -9.855 1.00 . A A . 6 LEU CG 1 1 10 3130 1 1 6 LEU H H -5.541 2.830 -9.451 1.00 . A A . 6 LEU H 1 1 10 3131 1 1 6 LEU HA H -3.025 1.853 -8.703 1.00 . A A . 6 LEU HA 1 1 10 3132 1 1 6 LEU HB2 H -3.827 3.794 -10.371 1.00 . A A . 6 LEU HB2 1 1 10 3133 1 1 6 LEU HB3 H -3.385 4.802 -8.997 1.00 . A A . 6 LEU HB3 1 1 10 3134 1 1 6 LEU HD11 H -1.267 4.324 -7.848 1.00 . A A . 6 LEU HD11 1 1 10 3135 1 1 6 LEU HD12 H 0.136 3.899 -8.826 1.00 . A A . 6 LEU HD12 1 1 10 3136 1 1 6 LEU HD13 H -0.913 2.631 -8.192 1.00 . A A . 6 LEU HD13 1 1 10 3137 1 1 6 LEU HD21 H -0.737 2.638 -11.424 1.00 . A A . 6 LEU HD21 1 1 10 3138 1 1 6 LEU HD22 H -2.434 2.203 -11.230 1.00 . A A . 6 LEU HD22 1 1 10 3139 1 1 6 LEU HD23 H -1.236 1.628 -10.069 1.00 . A A . 6 LEU HD23 1 1 10 3140 1 1 6 LEU HG H -1.444 4.584 -10.425 1.00 . A A . 6 LEU HG 1 1 10 3141 1 1 6 LEU N N -5.035 2.362 -8.754 1.00 . A A . 6 LEU N 1 1 10 3142 1 1 6 LEU O O -2.438 2.834 -6.441 1.00 . A A . 6 LEU O 1 1 10 3143 1 1 7 LYS C C -4.464 3.234 -4.204 1.00 . A A . 7 LYS C 1 1 10 3144 1 1 7 LYS CA C -4.331 4.398 -5.182 1.00 . A A . 7 LYS CA 1 1 10 3145 1 1 7 LYS CB C -5.441 5.417 -4.944 1.00 . A A . 7 LYS CB 1 1 10 3146 1 1 7 LYS CD C -4.986 5.826 -2.490 1.00 . A A . 7 LYS CD 1 1 10 3147 1 1 7 LYS CE C -3.539 5.678 -2.005 1.00 . A A . 7 LYS CE 1 1 10 3148 1 1 7 LYS CG C -5.012 6.456 -3.896 1.00 . A A . 7 LYS CG 1 1 10 3149 1 1 7 LYS H H -5.186 4.147 -7.098 1.00 . A A . 7 LYS H 1 1 10 3150 1 1 7 LYS HA H -3.389 4.876 -5.031 1.00 . A A . 7 LYS HA 1 1 10 3151 1 1 7 LYS HB2 H -5.667 5.918 -5.873 1.00 . A A . 7 LYS HB2 1 1 10 3152 1 1 7 LYS HB3 H -6.308 4.900 -4.603 1.00 . A A . 7 LYS HB3 1 1 10 3153 1 1 7 LYS HD2 H -5.525 6.463 -1.803 1.00 . A A . 7 LYS HD2 1 1 10 3154 1 1 7 LYS HD3 H -5.455 4.855 -2.513 1.00 . A A . 7 LYS HD3 1 1 10 3155 1 1 7 LYS HE2 H -2.917 5.337 -2.819 1.00 . A A . 7 LYS HE2 1 1 10 3156 1 1 7 LYS HE3 H -3.179 6.633 -1.653 1.00 . A A . 7 LYS HE3 1 1 10 3157 1 1 7 LYS HG2 H -4.031 6.835 -4.145 1.00 . A A . 7 LYS HG2 1 1 10 3158 1 1 7 LYS HG3 H -5.717 7.275 -3.904 1.00 . A A . 7 LYS HG3 1 1 10 3159 1 1 7 LYS HZ1 H -4.275 4.860 -0.237 1.00 . A A . 7 LYS HZ1 1 1 10 3160 1 1 7 LYS HZ2 H -2.584 4.785 -0.386 1.00 . A A . 7 LYS HZ2 1 1 10 3161 1 1 7 LYS HZ3 H -3.566 3.726 -1.281 1.00 . A A . 7 LYS HZ3 1 1 10 3162 1 1 7 LYS N N -4.407 3.916 -6.552 1.00 . A A . 7 LYS N 1 1 10 3163 1 1 7 LYS NZ N -3.487 4.688 -0.894 1.00 . A A . 7 LYS NZ 1 1 10 3164 1 1 7 LYS O O -3.856 3.235 -3.134 1.00 . A A . 7 LYS O 1 1 10 3165 1 1 8 GLY C C -4.225 0.205 -3.687 1.00 . A A . 8 GLY C 1 1 10 3166 1 1 8 GLY CA C -5.474 1.078 -3.735 1.00 . A A . 8 GLY CA 1 1 10 3167 1 1 8 GLY H H -5.723 2.298 -5.444 1.00 . A A . 8 GLY H 1 1 10 3168 1 1 8 GLY HA2 H -5.716 1.409 -2.734 1.00 . A A . 8 GLY HA2 1 1 10 3169 1 1 8 GLY HA3 H -6.297 0.496 -4.129 1.00 . A A . 8 GLY HA3 1 1 10 3170 1 1 8 GLY N N -5.264 2.243 -4.581 1.00 . A A . 8 GLY N 1 1 10 3171 1 1 8 GLY O O -3.968 -0.469 -2.690 1.00 . A A . 8 GLY O 1 1 10 3172 1 1 9 ALA C C -1.127 0.045 -3.997 1.00 . A A . 9 ALA C 1 1 10 3173 1 1 9 ALA CA C -2.236 -0.582 -4.838 1.00 . A A . 9 ALA CA 1 1 10 3174 1 1 9 ALA CB C -1.771 -0.698 -6.291 1.00 . A A . 9 ALA CB 1 1 10 3175 1 1 9 ALA H H -3.711 0.772 -5.537 1.00 . A A . 9 ALA H 1 1 10 3176 1 1 9 ALA HA H -2.445 -1.571 -4.460 1.00 . A A . 9 ALA HA 1 1 10 3177 1 1 9 ALA HB1 H -2.604 -0.990 -6.913 1.00 . A A . 9 ALA HB1 1 1 10 3178 1 1 9 ALA HB2 H -0.990 -1.442 -6.361 1.00 . A A . 9 ALA HB2 1 1 10 3179 1 1 9 ALA HB3 H -1.390 0.256 -6.624 1.00 . A A . 9 ALA HB3 1 1 10 3180 1 1 9 ALA N N -3.455 0.218 -4.770 1.00 . A A . 9 ALA N 1 1 10 3181 1 1 9 ALA O O -0.265 -0.656 -3.467 1.00 . A A . 9 ALA O 1 1 10 3182 1 1 10 ALA C C -0.072 1.561 -1.680 1.00 . A A . 10 ALA C 1 1 10 3183 1 1 10 ALA CA C -0.141 2.084 -3.113 1.00 . A A . 10 ALA CA 1 1 10 3184 1 1 10 ALA CB C -0.459 3.579 -3.096 1.00 . A A . 10 ALA CB 1 1 10 3185 1 1 10 ALA H H -1.861 1.876 -4.333 1.00 . A A . 10 ALA H 1 1 10 3186 1 1 10 ALA HA H 0.821 1.941 -3.582 1.00 . A A . 10 ALA HA 1 1 10 3187 1 1 10 ALA HB1 H -0.789 3.889 -4.076 1.00 . A A . 10 ALA HB1 1 1 10 3188 1 1 10 ALA HB2 H 0.428 4.133 -2.822 1.00 . A A . 10 ALA HB2 1 1 10 3189 1 1 10 ALA HB3 H -1.240 3.774 -2.375 1.00 . A A . 10 ALA HB3 1 1 10 3190 1 1 10 ALA N N -1.153 1.369 -3.884 1.00 . A A . 10 ALA N 1 1 10 3191 1 1 10 ALA O O 1.008 1.253 -1.174 1.00 . A A . 10 ALA O 1 1 10 3192 1 1 11 LYS C C -0.500 -0.315 0.499 1.00 . A A . 11 LYS C 1 1 10 3193 1 1 11 LYS CA C -1.277 0.991 0.350 1.00 . A A . 11 LYS CA 1 1 10 3194 1 1 11 LYS CB C -2.735 0.782 0.779 1.00 . A A . 11 LYS CB 1 1 10 3195 1 1 11 LYS CD C -3.300 -1.654 1.076 1.00 . A A . 11 LYS CD 1 1 10 3196 1 1 11 LYS CE C -4.531 -1.588 1.985 1.00 . A A . 11 LYS CE 1 1 10 3197 1 1 11 LYS CG C -3.314 -0.471 0.098 1.00 . A A . 11 LYS CG 1 1 10 3198 1 1 11 LYS H H -2.056 1.734 -1.477 1.00 . A A . 11 LYS H 1 1 10 3199 1 1 11 LYS HA H -0.832 1.735 0.992 1.00 . A A . 11 LYS HA 1 1 10 3200 1 1 11 LYS HB2 H -2.777 0.666 1.853 1.00 . A A . 11 LYS HB2 1 1 10 3201 1 1 11 LYS HB3 H -3.318 1.646 0.491 1.00 . A A . 11 LYS HB3 1 1 10 3202 1 1 11 LYS HD2 H -3.315 -2.580 0.518 1.00 . A A . 11 LYS HD2 1 1 10 3203 1 1 11 LYS HD3 H -2.406 -1.615 1.681 1.00 . A A . 11 LYS HD3 1 1 10 3204 1 1 11 LYS HE2 H -4.377 -2.224 2.844 1.00 . A A . 11 LYS HE2 1 1 10 3205 1 1 11 LYS HE3 H -4.683 -0.571 2.312 1.00 . A A . 11 LYS HE3 1 1 10 3206 1 1 11 LYS HG2 H -4.333 -0.273 -0.210 1.00 . A A . 11 LYS HG2 1 1 10 3207 1 1 11 LYS HG3 H -2.718 -0.719 -0.770 1.00 . A A . 11 LYS HG3 1 1 10 3208 1 1 11 LYS HZ1 H -5.431 -2.667 0.448 1.00 . A A . 11 LYS HZ1 1 1 10 3209 1 1 11 LYS HZ2 H -6.239 -1.228 0.851 1.00 . A A . 11 LYS HZ2 1 1 10 3210 1 1 11 LYS HZ3 H -6.355 -2.585 1.868 1.00 . A A . 11 LYS HZ3 1 1 10 3211 1 1 11 LYS N N -1.226 1.470 -1.028 1.00 . A A . 11 LYS N 1 1 10 3212 1 1 11 LYS NZ N -5.729 -2.052 1.231 1.00 . A A . 11 LYS NZ 1 1 10 3213 1 1 11 LYS O O -0.038 -0.651 1.589 1.00 . A A . 11 LYS O 1 1 10 3214 1 1 12 ASP C C 1.793 -2.105 -0.095 1.00 . A A . 12 ASP C 1 1 10 3215 1 1 12 ASP CA C 0.361 -2.312 -0.579 1.00 . A A . 12 ASP CA 1 1 10 3216 1 1 12 ASP CB C 0.379 -2.928 -1.979 1.00 . A A . 12 ASP CB 1 1 10 3217 1 1 12 ASP CG C 0.794 -4.394 -1.899 1.00 . A A . 12 ASP CG 1 1 10 3218 1 1 12 ASP H H -0.751 -0.728 -1.443 1.00 . A A . 12 ASP H 1 1 10 3219 1 1 12 ASP HA H -0.142 -2.991 0.093 1.00 . A A . 12 ASP HA 1 1 10 3220 1 1 12 ASP HB2 H -0.611 -2.860 -2.413 1.00 . A A . 12 ASP HB2 1 1 10 3221 1 1 12 ASP HB3 H 1.084 -2.391 -2.600 1.00 . A A . 12 ASP HB3 1 1 10 3222 1 1 12 ASP N N -0.361 -1.045 -0.602 1.00 . A A . 12 ASP N 1 1 10 3223 1 1 12 ASP O O 2.238 -2.756 0.851 1.00 . A A . 12 ASP O 1 1 10 3224 1 1 12 ASP OD1 O -0.071 -5.243 -2.033 1.00 . A A . 12 ASP OD1 1 1 10 3225 1 1 12 ASP OD2 O 1.972 -4.645 -1.704 1.00 . A A . 12 ASP OD2 1 1 10 3226 1 1 13 ILE C C 3.946 -0.195 0.970 1.00 . A A . 13 ILE C 1 1 10 3227 1 1 13 ILE CA C 3.890 -0.912 -0.376 1.00 . A A . 13 ILE CA 1 1 10 3228 1 1 13 ILE CB C 4.554 -0.042 -1.448 1.00 . A A . 13 ILE CB 1 1 10 3229 1 1 13 ILE CD1 C 3.385 -0.262 -3.663 1.00 . A A . 13 ILE CD1 1 1 10 3230 1 1 13 ILE CG1 C 4.539 -0.779 -2.800 1.00 . A A . 13 ILE CG1 1 1 10 3231 1 1 13 ILE CG2 C 6.000 0.247 -1.035 1.00 . A A . 13 ILE CG2 1 1 10 3232 1 1 13 ILE H H 2.101 -0.708 -1.493 1.00 . A A . 13 ILE H 1 1 10 3233 1 1 13 ILE HA H 4.430 -1.843 -0.298 1.00 . A A . 13 ILE HA 1 1 10 3234 1 1 13 ILE HB H 4.016 0.891 -1.533 1.00 . A A . 13 ILE HB 1 1 10 3235 1 1 13 ILE HD11 H 2.446 -0.475 -3.176 1.00 . A A . 13 ILE HD11 1 1 10 3236 1 1 13 ILE HD12 H 3.409 -0.750 -4.626 1.00 . A A . 13 ILE HD12 1 1 10 3237 1 1 13 ILE HD13 H 3.487 0.805 -3.799 1.00 . A A . 13 ILE HD13 1 1 10 3238 1 1 13 ILE HG12 H 5.475 -0.607 -3.316 1.00 . A A . 13 ILE HG12 1 1 10 3239 1 1 13 ILE HG13 H 4.411 -1.840 -2.634 1.00 . A A . 13 ILE HG13 1 1 10 3240 1 1 13 ILE HG21 H 6.539 0.659 -1.876 1.00 . A A . 13 ILE HG21 1 1 10 3241 1 1 13 ILE HG22 H 6.475 -0.670 -0.718 1.00 . A A . 13 ILE HG22 1 1 10 3242 1 1 13 ILE HG23 H 6.007 0.956 -0.220 1.00 . A A . 13 ILE HG23 1 1 10 3243 1 1 13 ILE N N 2.509 -1.196 -0.748 1.00 . A A . 13 ILE N 1 1 10 3244 1 1 13 ILE O O 4.621 -0.646 1.896 1.00 . A A . 13 ILE O 1 1 10 3245 1 1 14 ALA C C 2.882 0.799 3.495 1.00 . A A . 14 ALA C 1 1 10 3246 1 1 14 ALA CA C 3.215 1.696 2.306 1.00 . A A . 14 ALA CA 1 1 10 3247 1 1 14 ALA CB C 2.179 2.818 2.204 1.00 . A A . 14 ALA CB 1 1 10 3248 1 1 14 ALA H H 2.719 1.236 0.298 1.00 . A A . 14 ALA H 1 1 10 3249 1 1 14 ALA HA H 4.189 2.135 2.462 1.00 . A A . 14 ALA HA 1 1 10 3250 1 1 14 ALA HB1 H 2.141 3.358 3.139 1.00 . A A . 14 ALA HB1 1 1 10 3251 1 1 14 ALA HB2 H 1.208 2.392 1.995 1.00 . A A . 14 ALA HB2 1 1 10 3252 1 1 14 ALA HB3 H 2.456 3.492 1.408 1.00 . A A . 14 ALA HB3 1 1 10 3253 1 1 14 ALA N N 3.236 0.924 1.069 1.00 . A A . 14 ALA N 1 1 10 3254 1 1 14 ALA O O 3.348 1.031 4.610 1.00 . A A . 14 ALA O 1 1 10 3255 1 1 15 GLY C C 2.715 -2.257 4.476 1.00 . A A . 15 GLY C 1 1 10 3256 1 1 15 GLY CA C 1.680 -1.150 4.307 1.00 . A A . 15 GLY CA 1 1 10 3257 1 1 15 GLY H H 1.729 -0.360 2.340 1.00 . A A . 15 GLY H 1 1 10 3258 1 1 15 GLY HA2 H 1.586 -0.605 5.238 1.00 . A A . 15 GLY HA2 1 1 10 3259 1 1 15 GLY HA3 H 0.726 -1.596 4.054 1.00 . A A . 15 GLY HA3 1 1 10 3260 1 1 15 GLY N N 2.071 -0.225 3.248 1.00 . A A . 15 GLY N 1 1 10 3261 1 1 15 GLY O O 2.727 -2.960 5.486 1.00 . A A . 15 GLY O 1 1 10 3262 1 1 16 HIS C C 5.593 -3.162 4.672 1.00 . A A . 16 HIS C 1 1 10 3263 1 1 16 HIS CA C 4.618 -3.434 3.532 1.00 . A A . 16 HIS CA 1 1 10 3264 1 1 16 HIS CB C 5.377 -3.473 2.212 1.00 . A A . 16 HIS CB 1 1 10 3265 1 1 16 HIS CD2 C 6.440 -5.622 1.133 1.00 . A A . 16 HIS CD2 1 1 10 3266 1 1 16 HIS CE1 C 7.571 -6.310 2.849 1.00 . A A . 16 HIS CE1 1 1 10 3267 1 1 16 HIS CG C 6.211 -4.724 2.146 1.00 . A A . 16 HIS CG 1 1 10 3268 1 1 16 HIS H H 3.528 -1.818 2.700 1.00 . A A . 16 HIS H 1 1 10 3269 1 1 16 HIS HA H 4.157 -4.388 3.688 1.00 . A A . 16 HIS HA 1 1 10 3270 1 1 16 HIS HB2 H 4.676 -3.462 1.391 1.00 . A A . 16 HIS HB2 1 1 10 3271 1 1 16 HIS HB3 H 6.015 -2.615 2.151 1.00 . A A . 16 HIS HB3 1 1 10 3272 1 1 16 HIS HD2 H 6.018 -5.562 0.140 1.00 . A A . 16 HIS HD2 1 1 10 3273 1 1 16 HIS HE1 H 8.217 -6.889 3.491 1.00 . A A . 16 HIS HE1 1 1 10 3274 1 1 16 HIS HE2 H 7.634 -7.391 1.071 1.00 . A A . 16 HIS HE2 1 1 10 3275 1 1 16 HIS N N 3.584 -2.407 3.481 1.00 . A A . 16 HIS N 1 1 10 3276 1 1 16 HIS ND1 N 6.942 -5.182 3.230 1.00 . A A . 16 HIS ND1 1 1 10 3277 1 1 16 HIS NE2 N 7.300 -6.623 1.579 1.00 . A A . 16 HIS NE2 1 1 10 3278 1 1 16 HIS O O 5.801 -4.010 5.539 1.00 . A A . 16 HIS O 1 1 10 3279 1 1 17 LEU C C 6.462 -1.524 7.057 1.00 . A A . 17 LEU C 1 1 10 3280 1 1 17 LEU CA C 7.142 -1.598 5.692 1.00 . A A . 17 LEU CA 1 1 10 3281 1 1 17 LEU CB C 7.752 -0.240 5.344 1.00 . A A . 17 LEU CB 1 1 10 3282 1 1 17 LEU CD1 C 6.588 1.711 6.411 1.00 . A A . 17 LEU CD1 1 1 10 3283 1 1 17 LEU CD2 C 6.922 1.664 3.936 1.00 . A A . 17 LEU CD2 1 1 10 3284 1 1 17 LEU CG C 6.642 0.808 5.175 1.00 . A A . 17 LEU CG 1 1 10 3285 1 1 17 LEU H H 5.991 -1.338 3.948 1.00 . A A . 17 LEU H 1 1 10 3286 1 1 17 LEU HA H 7.930 -2.334 5.731 1.00 . A A . 17 LEU HA 1 1 10 3287 1 1 17 LEU HB2 H 8.407 0.061 6.137 1.00 . A A . 17 LEU HB2 1 1 10 3288 1 1 17 LEU HB3 H 8.311 -0.326 4.421 1.00 . A A . 17 LEU HB3 1 1 10 3289 1 1 17 LEU HD11 H 6.576 1.102 7.302 1.00 . A A . 17 LEU HD11 1 1 10 3290 1 1 17 LEU HD12 H 5.694 2.316 6.375 1.00 . A A . 17 LEU HD12 1 1 10 3291 1 1 17 LEU HD13 H 7.457 2.352 6.425 1.00 . A A . 17 LEU HD13 1 1 10 3292 1 1 17 LEU HD21 H 6.142 2.403 3.826 1.00 . A A . 17 LEU HD21 1 1 10 3293 1 1 17 LEU HD22 H 6.946 1.034 3.061 1.00 . A A . 17 LEU HD22 1 1 10 3294 1 1 17 LEU HD23 H 7.874 2.160 4.049 1.00 . A A . 17 LEU HD23 1 1 10 3295 1 1 17 LEU HG H 5.695 0.309 5.061 1.00 . A A . 17 LEU HG 1 1 10 3296 1 1 17 LEU N N 6.191 -1.975 4.663 1.00 . A A . 17 LEU N 1 1 10 3297 1 1 17 LEU O O 7.040 -1.917 8.070 1.00 . A A . 17 LEU O 1 1 10 3298 1 1 18 ALA C C 4.136 -2.272 8.877 1.00 . A A . 18 ALA C 1 1 10 3299 1 1 18 ALA CA C 4.487 -0.895 8.320 1.00 . A A . 18 ALA CA 1 1 10 3300 1 1 18 ALA CB C 3.204 -0.098 8.083 1.00 . A A . 18 ALA CB 1 1 10 3301 1 1 18 ALA H H 4.824 -0.719 6.239 1.00 . A A . 18 ALA H 1 1 10 3302 1 1 18 ALA HA H 5.094 -0.370 9.040 1.00 . A A . 18 ALA HA 1 1 10 3303 1 1 18 ALA HB1 H 2.718 0.092 9.029 1.00 . A A . 18 ALA HB1 1 1 10 3304 1 1 18 ALA HB2 H 2.541 -0.664 7.445 1.00 . A A . 18 ALA HB2 1 1 10 3305 1 1 18 ALA HB3 H 3.446 0.840 7.608 1.00 . A A . 18 ALA HB3 1 1 10 3306 1 1 18 ALA N N 5.234 -1.018 7.075 1.00 . A A . 18 ALA N 1 1 10 3307 1 1 18 ALA O O 4.095 -2.469 10.092 1.00 . A A . 18 ALA O 1 1 10 3308 1 1 19 SER C C 4.664 -5.193 9.216 1.00 . A A . 19 SER C 1 1 10 3309 1 1 19 SER CA C 3.534 -4.574 8.396 1.00 . A A . 19 SER CA 1 1 10 3310 1 1 19 SER CB C 3.251 -5.435 7.161 1.00 . A A . 19 SER CB 1 1 10 3311 1 1 19 SER H H 3.928 -3.008 7.028 1.00 . A A . 19 SER H 1 1 10 3312 1 1 19 SER HA H 2.643 -4.534 9.004 1.00 . A A . 19 SER HA 1 1 10 3313 1 1 19 SER HB2 H 3.678 -4.968 6.290 1.00 . A A . 19 SER HB2 1 1 10 3314 1 1 19 SER HB3 H 3.689 -6.415 7.292 1.00 . A A . 19 SER HB3 1 1 10 3315 1 1 19 SER HG H 1.437 -4.745 7.307 1.00 . A A . 19 SER HG 1 1 10 3316 1 1 19 SER N N 3.882 -3.221 7.982 1.00 . A A . 19 SER N 1 1 10 3317 1 1 19 SER O O 4.420 -5.853 10.227 1.00 . A A . 19 SER O 1 1 10 3318 1 1 19 SER OG O 1.844 -5.552 6.986 1.00 . A A . 19 SER OG 1 1 10 3319 1 1 20 LYS C C 7.206 -4.879 10.850 1.00 . A A . 20 LYS C 1 1 10 3320 1 1 20 LYS CA C 7.054 -5.520 9.473 1.00 . A A . 20 LYS CA 1 1 10 3321 1 1 20 LYS CB C 8.319 -5.279 8.650 1.00 . A A . 20 LYS CB 1 1 10 3322 1 1 20 LYS CD C 9.216 -7.570 8.160 1.00 . A A . 20 LYS CD 1 1 10 3323 1 1 20 LYS CE C 10.302 -8.588 8.515 1.00 . A A . 20 LYS CE 1 1 10 3324 1 1 20 LYS CG C 9.392 -6.315 9.018 1.00 . A A . 20 LYS CG 1 1 10 3325 1 1 20 LYS H H 6.033 -4.445 7.963 1.00 . A A . 20 LYS H 1 1 10 3326 1 1 20 LYS HA H 6.922 -6.576 9.595 1.00 . A A . 20 LYS HA 1 1 10 3327 1 1 20 LYS HB2 H 8.084 -5.358 7.599 1.00 . A A . 20 LYS HB2 1 1 10 3328 1 1 20 LYS HB3 H 8.689 -4.294 8.861 1.00 . A A . 20 LYS HB3 1 1 10 3329 1 1 20 LYS HD2 H 8.243 -8.001 8.346 1.00 . A A . 20 LYS HD2 1 1 10 3330 1 1 20 LYS HD3 H 9.300 -7.308 7.117 1.00 . A A . 20 LYS HD3 1 1 10 3331 1 1 20 LYS HE2 H 10.221 -9.443 7.861 1.00 . A A . 20 LYS HE2 1 1 10 3332 1 1 20 LYS HE3 H 11.274 -8.134 8.396 1.00 . A A . 20 LYS HE3 1 1 10 3333 1 1 20 LYS HG2 H 10.372 -5.894 8.842 1.00 . A A . 20 LYS HG2 1 1 10 3334 1 1 20 LYS HG3 H 9.297 -6.579 10.061 1.00 . A A . 20 LYS HG3 1 1 10 3335 1 1 20 LYS HZ1 H 10.628 -8.369 10.560 1.00 . A A . 20 LYS HZ1 1 1 10 3336 1 1 20 LYS HZ2 H 10.518 -9.984 10.046 1.00 . A A . 20 LYS HZ2 1 1 10 3337 1 1 20 LYS HZ3 H 9.116 -9.031 10.169 1.00 . A A . 20 LYS HZ3 1 1 10 3338 1 1 20 LYS N N 5.898 -4.977 8.774 1.00 . A A . 20 LYS N 1 1 10 3339 1 1 20 LYS NZ N 10.128 -9.026 9.929 1.00 . A A . 20 LYS NZ 1 1 10 3340 1 1 20 LYS O O 7.728 -5.496 11.778 1.00 . A A . 20 LYS O 1 1 10 3341 1 1 21 VAL C C 5.876 -3.524 13.267 1.00 . A A . 21 VAL C 1 1 10 3342 1 1 21 VAL CA C 6.836 -2.925 12.244 1.00 . A A . 21 VAL CA 1 1 10 3343 1 1 21 VAL CB C 6.507 -1.445 12.036 1.00 . A A . 21 VAL CB 1 1 10 3344 1 1 21 VAL CG1 C 6.517 -0.724 13.386 1.00 . A A . 21 VAL CG1 1 1 10 3345 1 1 21 VAL CG2 C 7.553 -0.815 11.114 1.00 . A A . 21 VAL CG2 1 1 10 3346 1 1 21 VAL H H 6.338 -3.195 10.201 1.00 . A A . 21 VAL H 1 1 10 3347 1 1 21 VAL HA H 7.845 -3.007 12.620 1.00 . A A . 21 VAL HA 1 1 10 3348 1 1 21 VAL HB H 5.528 -1.354 11.588 1.00 . A A . 21 VAL HB 1 1 10 3349 1 1 21 VAL HG11 H 6.528 0.344 13.223 1.00 . A A . 21 VAL HG11 1 1 10 3350 1 1 21 VAL HG12 H 7.397 -1.013 13.941 1.00 . A A . 21 VAL HG12 1 1 10 3351 1 1 21 VAL HG13 H 5.634 -0.995 13.945 1.00 . A A . 21 VAL HG13 1 1 10 3352 1 1 21 VAL HG21 H 8.472 -0.662 11.663 1.00 . A A . 21 VAL HG21 1 1 10 3353 1 1 21 VAL HG22 H 7.189 0.134 10.752 1.00 . A A . 21 VAL HG22 1 1 10 3354 1 1 21 VAL HG23 H 7.739 -1.473 10.278 1.00 . A A . 21 VAL HG23 1 1 10 3355 1 1 21 VAL N N 6.745 -3.638 10.975 1.00 . A A . 21 VAL N 1 1 10 3356 1 1 21 VAL O O 6.254 -3.780 14.410 1.00 . A A . 21 VAL O 1 1 10 3357 1 1 22 MET C C 3.979 -5.755 14.092 1.00 . A A . 22 MET C 1 1 10 3358 1 1 22 MET CA C 3.629 -4.313 13.739 1.00 . A A . 22 MET CA 1 1 10 3359 1 1 22 MET CB C 2.254 -4.269 13.071 1.00 . A A . 22 MET CB 1 1 10 3360 1 1 22 MET CE C 0.140 -0.977 11.794 1.00 . A A . 22 MET CE 1 1 10 3361 1 1 22 MET CG C 1.903 -2.821 12.725 1.00 . A A . 22 MET CG 1 1 10 3362 1 1 22 MET H H 4.389 -3.520 11.927 1.00 . A A . 22 MET H 1 1 10 3363 1 1 22 MET HA H 3.594 -3.730 14.648 1.00 . A A . 22 MET HA 1 1 10 3364 1 1 22 MET HB2 H 2.274 -4.862 12.166 1.00 . A A . 22 MET HB2 1 1 10 3365 1 1 22 MET HB3 H 1.510 -4.665 13.751 1.00 . A A . 22 MET HB3 1 1 10 3366 1 1 22 MET HE1 H -0.863 -0.581 11.865 1.00 . A A . 22 MET HE1 1 1 10 3367 1 1 22 MET HE2 H 0.480 -0.907 10.774 1.00 . A A . 22 MET HE2 1 1 10 3368 1 1 22 MET HE3 H 0.803 -0.409 12.433 1.00 . A A . 22 MET HE3 1 1 10 3369 1 1 22 MET HG2 H 2.116 -2.184 13.574 1.00 . A A . 22 MET HG2 1 1 10 3370 1 1 22 MET HG3 H 2.491 -2.502 11.873 1.00 . A A . 22 MET HG3 1 1 10 3371 1 1 22 MET N N 4.634 -3.745 12.849 1.00 . A A . 22 MET N 1 1 10 3372 1 1 22 MET O O 3.860 -6.169 15.246 1.00 . A A . 22 MET O 1 1 10 3373 1 1 22 MET SD S 0.142 -2.709 12.317 1.00 . A A . 22 MET SD 1 1 10 3374 1 1 23 ASN C C 6.063 -8.009 14.121 1.00 . A A . 23 ASN C 1 1 10 3375 1 1 23 ASN CA C 4.776 -7.912 13.308 1.00 . A A . 23 ASN CA 1 1 10 3376 1 1 23 ASN CB C 4.965 -8.616 11.964 1.00 . A A . 23 ASN CB 1 1 10 3377 1 1 23 ASN CG C 3.689 -8.511 11.136 1.00 . A A . 23 ASN CG 1 1 10 3378 1 1 23 ASN H H 4.486 -6.133 12.193 1.00 . A A . 23 ASN H 1 1 10 3379 1 1 23 ASN HA H 3.982 -8.401 13.850 1.00 . A A . 23 ASN HA 1 1 10 3380 1 1 23 ASN HB2 H 5.780 -8.153 11.427 1.00 . A A . 23 ASN HB2 1 1 10 3381 1 1 23 ASN HB3 H 5.194 -9.658 12.134 1.00 . A A . 23 ASN HB3 1 1 10 3382 1 1 23 ASN HD21 H 4.051 -10.166 10.098 1.00 . A A . 23 ASN HD21 1 1 10 3383 1 1 23 ASN HD22 H 2.609 -9.361 9.701 1.00 . A A . 23 ASN HD22 1 1 10 3384 1 1 23 ASN N N 4.411 -6.516 13.092 1.00 . A A . 23 ASN N 1 1 10 3385 1 1 23 ASN ND2 N 3.427 -9.421 10.237 1.00 . A A . 23 ASN ND2 1 1 10 3386 1 1 23 ASN O O 6.341 -9.042 14.728 1.00 . A A . 23 ASN O 1 1 10 3387 1 1 23 ASN OD1 O 2.908 -7.576 11.312 1.00 . A A . 23 ASN OD1 1 1 10 3388 1 1 24 NH2 HN1 H 6.645 -6.157 13.679 1.00 . A A . 24 NH2 HN1 1 1 10 3389 1 1 24 NH2 HN2 H 7.707 -7.042 14.692 1.00 . A A . 24 NH2 HN2 1 1 10 3390 1 1 24 NH2 N N 6.871 -6.986 14.167 1.00 . A A . 24 NH2 N 1 1 stop_ save_
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