NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
628179 | 5uy2 | 30248 | cing | 4-filtered-FRED | STAR | entry | full | 202 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5uy2 # This FRED archive file contains, for PDB entry <5uy2>: # # - 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_5uy2 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5uy2 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2457.62 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 $20_mer_Peptide_38146 A . 1 1 stop_ save_ save_20_mer_Peptide_38146 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "20 mer Peptide 38146" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SDTRYNKDFINNKHLNEHAH _Entity.Number_of_monomers 20 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 SER . 1 1 2 ASP . 1 1 3 THR . 1 1 4 ARG . 1 1 5 TYR . 1 1 6 ASN . 1 1 7 LYS . 1 1 8 ASP . 1 1 9 PHE . 1 1 10 ILE . 1 1 11 ASN . 1 1 12 ASN . 1 1 13 LYS . 1 1 14 HIS . 1 1 15 LEU . 1 1 16 ASN . 1 1 17 GLU . 1 1 18 HIS . 1 1 19 ALA . 1 1 20 HIS . 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 SER 1 1 1 1 ASP 2 2 1 1 THR 3 3 1 1 ARG 4 4 1 1 TYR 5 5 1 1 ASN 6 6 1 1 LYS 7 7 1 1 ASP 8 8 1 1 PHE 9 9 1 1 ILE 10 10 1 1 ASN 11 11 1 1 ASN 12 12 1 1 LYS 13 13 1 1 HIS 14 14 1 1 LEU 15 15 1 1 ASN 16 16 1 1 GLU 17 17 1 1 HIS 18 18 1 1 ALA 19 19 1 1 HIS 20 20 1 1 stop_ save_ save_Discover_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 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 SER HA 1 1 SER HA 1 1 1 1 2 1 1 1 SER HB2 1 1 SER HBS 1 1 2 1 1 1 1 1 SER HA 1 1 SER HA 1 1 2 1 2 1 1 1 SER HB3 1 1 SER HBR 1 1 3 1 1 1 1 1 SER HA 1 1 SER HA 1 1 3 1 2 1 1 2 ASP H 1 2 ASP HN 1 1 4 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 4 1 2 1 1 2 ASP HA 1 2 ASP HA 1 1 5 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 5 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1 6 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 6 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1 7 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 7 1 2 1 1 3 THR H 1 3 THR HN 1 1 8 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 8 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1 9 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 9 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1 10 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 10 1 2 1 1 3 THR H 1 3 THR HN 1 1 11 1 1 1 1 2 ASP O 1 2 ASP O 1 1 11 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 12 1 1 1 1 3 THR H 1 3 THR HN 1 1 12 1 2 1 1 3 THR HA 1 3 THR HA 1 1 13 1 1 1 1 3 THR H 1 3 THR HN 1 1 13 1 2 1 1 3 THR HB 1 3 THR HB 1 1 14 1 1 1 1 3 THR H 1 3 THR HN 1 1 14 1 2 1 1 3 THR MG 1 3 THR HG2* 1 1 15 1 1 1 1 3 THR H 1 3 THR HN 1 1 15 1 2 1 1 4 ARG H 1 4 ARG HN 1 1 16 1 1 1 1 3 THR HA 1 3 THR HA 1 1 16 1 2 1 1 3 THR HB 1 3 THR HB 1 1 17 1 1 1 1 3 THR HA 1 3 THR HA 1 1 17 1 2 1 1 3 THR MG 1 3 THR HG2* 1 1 18 1 1 1 1 3 THR HA 1 3 THR HA 1 1 18 1 2 1 1 4 ARG H 1 4 ARG HN 1 1 19 1 1 1 1 3 THR HA 1 3 THR HA 1 1 19 1 2 1 1 5 TYR H 1 5 TYR HN 1 1 20 1 1 1 1 3 THR HA 1 3 THR HA 1 1 20 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 21 1 1 1 1 3 THR MG 1 3 THR HG2* 1 1 21 1 2 1 1 6 ASN HA 1 6 ASN HA 1 1 22 1 1 1 1 4 ARG H 1 4 ARG HN 1 1 22 1 2 1 1 4 ARG HA 1 4 ARG HA 1 1 23 1 1 1 1 4 ARG H 1 4 ARG HN 1 1 23 1 2 1 1 4 ARG QB 1 4 ARG HB* 1 1 24 1 1 1 1 4 ARG H 1 4 ARG HN 1 1 24 1 2 1 1 4 ARG QD 1 4 ARG HD* 1 1 25 1 1 1 1 4 ARG H 1 4 ARG HN 1 1 25 1 2 1 1 4 ARG QG 1 4 ARG HG* 1 1 26 1 1 1 1 4 ARG H 1 4 ARG HN 1 1 26 1 2 1 1 5 TYR H 1 5 TYR HN 1 1 27 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1 27 1 2 1 1 4 ARG QD 1 4 ARG HD* 1 1 28 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1 28 1 2 1 1 4 ARG QG 1 4 ARG HG* 1 1 29 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1 29 1 2 1 1 5 TYR H 1 5 TYR HN 1 1 30 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1 30 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 31 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1 31 1 2 1 1 8 ASP H 1 8 ASP HN 1 1 32 1 1 1 1 4 ARG QB 1 4 ARG HB* 1 1 32 1 2 1 1 4 ARG QD 1 4 ARG HD* 1 1 33 1 1 1 1 4 ARG QD 1 4 ARG HD* 1 1 33 1 2 1 1 4 ARG QH 1 4 ARG HH* 1 1 34 1 1 1 1 4 ARG QG 1 4 ARG HG* 1 1 34 1 2 1 1 4 ARG QH 1 4 ARG HH* 1 1 35 1 1 1 1 5 TYR H 1 5 TYR HN 1 1 35 1 2 1 1 5 TYR HA 1 5 TYR HA 1 1 36 1 1 1 1 5 TYR H 1 5 TYR HN 1 1 36 1 2 1 1 5 TYR HB2 1 5 TYR HBR 1 1 37 1 1 1 1 5 TYR H 1 5 TYR HN 1 1 37 1 2 1 1 5 TYR HB3 1 5 TYR HBS 1 1 38 1 1 1 1 5 TYR H 1 5 TYR HN 1 1 38 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 39 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1 39 1 2 1 1 5 TYR HB2 1 5 TYR HBR 1 1 40 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1 40 1 2 1 1 5 TYR HB3 1 5 TYR HBS 1 1 41 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1 41 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1 42 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1 42 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 43 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1 43 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 44 1 1 1 1 5 TYR HB2 1 5 TYR HBR 1 1 44 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1 45 1 1 1 1 5 TYR HB3 1 5 TYR HBS 1 1 45 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1 46 1 1 1 1 6 ASN H 1 6 ASN HN 1 1 46 1 2 1 1 6 ASN HA 1 6 ASN HA 1 1 47 1 1 1 1 6 ASN H 1 6 ASN HN 1 1 47 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 48 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1 48 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 49 1 1 1 1 6 ASN QB 1 6 ASN HB* 1 1 49 1 2 1 1 9 PHE HA 1 9 PHE HA 1 1 50 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 50 1 2 1 1 7 LYS HA 1 7 LYS HA 1 1 51 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 51 1 2 1 1 7 LYS QB 1 7 LYS HB* 1 1 52 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 52 1 2 1 1 7 LYS QD 1 7 LYS HD* 1 1 53 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 53 1 2 1 1 7 LYS QG 1 7 LYS HG* 1 1 54 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 54 1 2 1 1 8 ASP H 1 8 ASP HN 1 1 55 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 55 1 2 1 1 7 LYS QD 1 7 LYS HD* 1 1 56 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 56 1 2 1 1 7 LYS QE 1 7 LYS HE* 1 1 57 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 57 1 2 1 1 7 LYS QG 1 7 LYS HG* 1 1 58 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 58 1 2 1 1 8 ASP H 1 8 ASP HN 1 1 59 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 59 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 60 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 60 1 2 1 1 10 ILE H 1 10 ILE HN 1 1 61 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 61 1 2 1 1 11 ASN H 1 11 ASN HN 1 1 62 1 1 1 1 7 LYS QB 1 7 LYS HB* 1 1 62 1 2 1 1 10 ILE HA 1 10 ILE HA 1 1 63 1 1 1 1 8 ASP H 1 8 ASP HN 1 1 63 1 2 1 1 8 ASP HA 1 8 ASP HA 1 1 64 1 1 1 1 8 ASP H 1 8 ASP HN 1 1 64 1 2 1 1 8 ASP HB2 1 8 ASP HBS 1 1 65 1 1 1 1 8 ASP H 1 8 ASP HN 1 1 65 1 2 1 1 8 ASP HB3 1 8 ASP HBR 1 1 66 1 1 1 1 8 ASP H 1 8 ASP HN 1 1 66 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 67 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1 67 1 2 1 1 8 ASP HB2 1 8 ASP HBS 1 1 68 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1 68 1 2 1 1 8 ASP HB3 1 8 ASP HBR 1 1 69 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1 69 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 70 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1 70 1 2 1 1 10 ILE H 1 10 ILE HN 1 1 71 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1 71 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 72 1 1 1 1 9 PHE H 1 9 PHE HN 1 1 72 1 2 1 1 9 PHE HA 1 9 PHE HA 1 1 73 1 1 1 1 9 PHE H 1 9 PHE HN 1 1 73 1 2 1 1 9 PHE HB2 1 9 PHE HBR 1 1 74 1 1 1 1 9 PHE H 1 9 PHE HN 1 1 74 1 2 1 1 9 PHE HB3 1 9 PHE HBS 1 1 75 1 1 1 1 9 PHE H 1 9 PHE HN 1 1 75 1 2 1 1 10 ILE H 1 10 ILE HN 1 1 76 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 76 1 2 1 1 9 PHE HB2 1 9 PHE HBR 1 1 77 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 77 1 2 1 1 9 PHE HB3 1 9 PHE HBS 1 1 78 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 78 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1 79 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 79 1 2 1 1 10 ILE H 1 10 ILE HN 1 1 80 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 80 1 2 1 1 13 LYS H 1 13 LYS HN 1 1 81 1 1 1 1 9 PHE HB2 1 9 PHE HBR 1 1 81 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1 82 1 1 1 1 9 PHE HB3 1 9 PHE HBS 1 1 82 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1 83 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 83 1 2 1 1 10 ILE HA 1 10 ILE HA 1 1 84 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 84 1 2 1 1 10 ILE HB 1 10 ILE HB 1 1 85 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 85 1 2 1 1 10 ILE MD 1 10 ILE HD1* 1 1 86 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 86 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1 87 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 87 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1 88 1 1 1 1 10 ILE H 1 10 ILE HN 1 1 88 1 2 1 1 11 ASN H 1 11 ASN HN 1 1 89 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 89 1 2 1 1 10 ILE HB 1 10 ILE HB 1 1 90 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 90 1 2 1 1 10 ILE MD 1 10 ILE HD1* 1 1 91 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 91 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1 92 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 92 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1 93 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 93 1 2 1 1 11 ASN H 1 11 ASN HN 1 1 94 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 94 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 95 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 95 1 2 1 1 13 LYS H 1 13 LYS HN 1 1 96 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1 96 1 2 1 1 14 HIS H 1 14 HIS HN 1 1 97 1 1 1 1 10 ILE HB 1 10 ILE HB 1 1 97 1 2 1 1 10 ILE MD 1 10 ILE HD1* 1 1 98 1 1 1 1 10 ILE HB 1 10 ILE HB 1 1 98 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1 99 1 1 1 1 10 ILE HB 1 10 ILE HB 1 1 99 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1 100 1 1 1 1 10 ILE O 1 10 ILE O 1 1 100 1 2 1 1 14 HIS H 1 14 HIS HN 1 1 101 1 1 1 1 11 ASN H 1 11 ASN HN 1 1 101 1 2 1 1 11 ASN HA 1 11 ASN HA 1 1 102 1 1 1 1 11 ASN H 1 11 ASN HN 1 1 102 1 2 1 1 11 ASN HB2 1 11 ASN HBS 1 1 103 1 1 1 1 11 ASN H 1 11 ASN HN 1 1 103 1 2 1 1 11 ASN HB3 1 11 ASN HBR 1 1 104 1 1 1 1 11 ASN H 1 11 ASN HN 1 1 104 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 105 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1 105 1 2 1 1 11 ASN HB2 1 11 ASN HBS 1 1 106 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1 106 1 2 1 1 11 ASN HB3 1 11 ASN HBR 1 1 107 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1 107 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 108 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1 108 1 2 1 1 13 LYS H 1 13 LYS HN 1 1 109 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1 109 1 2 1 1 15 LEU H 1 15 LEU HN 1 1 110 1 1 1 1 11 ASN HB3 1 11 ASN HBR 1 1 110 1 2 1 1 11 ASN HD22 1 11 ASN HD22 1 1 111 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 111 1 2 1 1 12 ASN HA 1 12 ASN HA 1 1 112 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 112 1 2 1 1 12 ASN HB2 1 12 ASN HBS 1 1 113 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 113 1 2 1 1 12 ASN HB3 1 12 ASN HBR 1 1 114 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 114 1 2 1 1 13 LYS H 1 13 LYS HN 1 1 115 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 115 1 2 1 1 12 ASN HB2 1 12 ASN HBS 1 1 116 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 116 1 2 1 1 12 ASN HB3 1 12 ASN HBR 1 1 117 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 117 1 2 1 1 13 LYS H 1 13 LYS HN 1 1 118 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 118 1 2 1 1 14 HIS H 1 14 HIS HN 1 1 119 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 119 1 2 1 1 15 LEU H 1 15 LEU HN 1 1 120 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 120 1 2 1 1 16 ASN H 1 16 ASN HN 1 1 121 1 1 1 1 12 ASN O 1 12 ASN O 1 1 121 1 2 1 1 16 ASN H 1 16 ASN HN 1 1 122 1 1 1 1 13 LYS H 1 13 LYS HN 1 1 122 1 2 1 1 13 LYS HA 1 13 LYS HA 1 1 123 1 1 1 1 13 LYS H 1 13 LYS HN 1 1 123 1 2 1 1 13 LYS QB 1 13 LYS HB* 1 1 124 1 1 1 1 13 LYS H 1 13 LYS HN 1 1 124 1 2 1 1 13 LYS QD 1 13 LYS HD* 1 1 125 1 1 1 1 13 LYS H 1 13 LYS HN 1 1 125 1 2 1 1 13 LYS QG 1 13 LYS HG* 1 1 126 1 1 1 1 13 LYS H 1 13 LYS HN 1 1 126 1 2 1 1 14 HIS H 1 14 HIS HN 1 1 127 1 1 1 1 13 LYS HA 1 13 LYS HA 1 1 127 1 2 1 1 13 LYS QD 1 13 LYS HD* 1 1 128 1 1 1 1 13 LYS HA 1 13 LYS HA 1 1 128 1 2 1 1 13 LYS QE 1 13 LYS HE* 1 1 129 1 1 1 1 13 LYS HA 1 13 LYS HA 1 1 129 1 2 1 1 13 LYS QG 1 13 LYS HG* 1 1 130 1 1 1 1 13 LYS HA 1 13 LYS HA 1 1 130 1 2 1 1 14 HIS H 1 14 HIS HN 1 1 131 1 1 1 1 13 LYS HA 1 13 LYS HA 1 1 131 1 2 1 1 16 ASN H 1 16 ASN HN 1 1 132 1 1 1 1 14 HIS H 1 14 HIS HN 1 1 132 1 2 1 1 14 HIS HA 1 14 HIS HA 1 1 133 1 1 1 1 14 HIS H 1 14 HIS HN 1 1 133 1 2 1 1 15 LEU H 1 15 LEU HN 1 1 134 1 1 1 1 14 HIS HA 1 14 HIS HA 1 1 134 1 2 1 1 15 LEU H 1 15 LEU HN 1 1 135 1 1 1 1 14 HIS HA 1 14 HIS HA 1 1 135 1 2 1 1 17 GLU H 1 17 GLU HN 1 1 136 1 1 1 1 14 HIS QB 1 14 HIS HB* 1 1 136 1 2 1 1 17 GLU HA 1 17 GLU HA 1 1 137 1 1 1 1 14 HIS O 1 14 HIS O 1 1 137 1 2 1 1 18 HIS H 1 18 HIS HN 1 1 138 1 1 1 1 15 LEU H 1 15 LEU HN 1 1 138 1 2 1 1 15 LEU HA 1 15 LEU HA 1 1 139 1 1 1 1 15 LEU H 1 15 LEU HN 1 1 139 1 2 1 1 15 LEU QB 1 15 LEU HB* 1 1 140 1 1 1 1 15 LEU H 1 15 LEU HN 1 1 140 1 2 1 1 15 LEU QD 1 15 LEU HDR* 1 1 141 1 1 1 1 15 LEU H 1 15 LEU HN 1 1 141 1 2 1 1 15 LEU HG 1 15 LEU HG 1 1 142 1 1 1 1 15 LEU H 1 15 LEU HN 1 1 142 1 2 1 1 16 ASN H 1 16 ASN HN 1 1 143 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1 143 1 2 1 1 15 LEU QD 1 15 LEU HDR* 1 1 144 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1 144 1 2 1 1 15 LEU HG 1 15 LEU HG 1 1 145 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1 145 1 2 1 1 16 ASN H 1 16 ASN HN 1 1 146 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1 146 1 2 1 1 18 HIS H 1 18 HIS HN 1 1 147 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1 147 1 2 1 1 19 ALA H 1 19 ALA HN 1 1 148 1 1 1 1 15 LEU QB 1 15 LEU HB* 1 1 148 1 2 1 1 18 HIS HA 1 18 HIS HA 1 1 149 1 1 1 1 15 LEU MD1 1 15 LEU HDR* 1 1 149 1 2 1 1 15 LEU MD2 1 15 LEU HDS* 1 1 150 1 1 1 1 16 ASN H 1 16 ASN HN 1 1 150 1 2 1 1 16 ASN HA 1 16 ASN HA 1 1 151 1 1 1 1 16 ASN H 1 16 ASN HN 1 1 151 1 2 1 1 16 ASN HB2 1 16 ASN HBS 1 1 152 1 1 1 1 16 ASN H 1 16 ASN HN 1 1 152 1 2 1 1 16 ASN HB3 1 16 ASN HBR 1 1 153 1 1 1 1 16 ASN H 1 16 ASN HN 1 1 153 1 2 1 1 17 GLU H 1 17 GLU HN 1 1 154 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1 154 1 2 1 1 16 ASN HB2 1 16 ASN HBS 1 1 155 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1 155 1 2 1 1 16 ASN HB3 1 16 ASN HBR 1 1 156 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1 156 1 2 1 1 17 GLU H 1 17 GLU HN 1 1 157 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 157 1 2 1 1 17 GLU HA 1 17 GLU HA 1 1 158 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 158 1 2 1 1 17 GLU HB2 1 17 GLU HBR 1 1 159 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 159 1 2 1 1 17 GLU HB3 1 17 GLU HBS 1 1 160 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 160 1 2 1 1 17 GLU HG2 1 17 GLU HGS 1 1 161 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 161 1 2 1 1 17 GLU HG3 1 17 GLU HGR 1 1 162 1 1 1 1 17 GLU H 1 17 GLU HN 1 1 162 1 2 1 1 18 HIS H 1 18 HIS HN 1 1 163 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1 163 1 2 1 1 17 GLU HB2 1 17 GLU HBR 1 1 164 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1 164 1 2 1 1 17 GLU HB3 1 17 GLU HBS 1 1 165 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1 165 1 2 1 1 17 GLU HG2 1 17 GLU HGS 1 1 166 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1 166 1 2 1 1 17 GLU HG3 1 17 GLU HGR 1 1 167 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1 167 1 2 1 1 18 HIS H 1 18 HIS HN 1 1 168 1 1 1 1 18 HIS H 1 18 HIS HN 1 1 168 1 2 1 1 18 HIS HA 1 18 HIS HA 1 1 169 1 1 1 1 18 HIS H 1 18 HIS HN 1 1 169 1 2 1 1 18 HIS HB2 1 18 HIS HBS 1 1 170 1 1 1 1 18 HIS H 1 18 HIS HN 1 1 170 1 2 1 1 18 HIS HB3 1 18 HIS HBR 1 1 171 1 1 1 1 18 HIS H 1 18 HIS HN 1 1 171 1 2 1 1 19 ALA H 1 19 ALA HN 1 1 172 1 1 1 1 18 HIS HA 1 18 HIS HA 1 1 172 1 2 1 1 19 ALA H 1 19 ALA HN 1 1 173 1 1 1 1 18 HIS HB2 1 18 HIS HBS 1 1 173 1 2 1 1 18 HIS HD2 1 18 HIS HD2 1 1 174 1 1 1 1 18 HIS HB3 1 18 HIS HBR 1 1 174 1 2 1 1 18 HIS HD2 1 18 HIS HD2 1 1 175 1 1 1 1 19 ALA H 1 19 ALA HN 1 1 175 1 2 1 1 19 ALA HA 1 19 ALA HA 1 1 176 1 1 1 1 19 ALA H 1 19 ALA HN 1 1 176 1 2 1 1 19 ALA MB 1 19 ALA HB* 1 1 177 1 1 1 1 19 ALA H 1 19 ALA HN 1 1 177 1 2 1 1 20 HIS H 1 20 HIS HN 1 1 178 1 1 1 1 19 ALA HA 1 19 ALA HA 1 1 178 1 2 1 1 20 HIS H 1 20 HIS HN 1 1 179 1 1 1 1 20 HIS H 1 20 HIS HN 1 1 179 1 2 1 1 20 HIS HA 1 20 HIS HA 1 1 180 1 1 1 1 20 HIS H 1 20 HIS HN 1 1 180 1 2 1 1 20 HIS HB2 1 20 HIS HBS 1 1 181 1 1 1 1 20 HIS H 1 20 HIS HN 1 1 181 1 2 1 1 20 HIS HB3 1 20 HIS HBR 1 1 182 1 1 1 1 20 HIS HB2 1 20 HIS HBS 1 1 182 1 2 1 1 20 HIS HD2 1 20 HIS HD2 1 1 183 1 1 1 1 20 HIS HB3 1 20 HIS HBR 1 1 183 1 2 1 1 20 HIS HD2 1 20 HIS 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 . . . . . 2.8 1.8 2.8 1 1 2 1 . . . . . 2.8 1.8 2.8 1 1 3 1 . . . . . 2.8 1.8 2.8 1 1 4 1 . . . . . 2.8 1.8 2.8 1 1 5 1 . . . . . 2.8 2.8 3.5 1 1 6 1 . . . . . 2.8 2.8 3.5 1 1 7 1 . . . . . 2.8 1.8 2.8 1 1 8 1 . . . . . 2.8 2.8 3.5 1 1 9 1 . . . . . 2.8 2.8 3.5 1 1 10 1 . . . . . 2.8 1.8 2.8 1 1 11 1 . . . . . . 1.8 2.5 1 1 12 1 . . . . . 2.8 1.8 2.8 1 1 13 1 . . . . . 2.8 1.8 2.8 1 1 14 1 . . . . . 2.8 2.8 3.8 1 1 15 1 . . . . . 2.8 2.8 3.5 1 1 16 1 . . . . . 2.8 1.8 2.8 1 1 17 1 . . . . . 2.8 1.8 3.8 1 1 18 1 . . . . . 2.8 2.8 3.5 1 1 19 1 . . . . . 5.5 3.5 5.5 1 1 20 1 . . . . . 5.5 3.5 5.5 1 1 21 1 . . . . . 5.5 3.5 6.5 1 1 22 1 . . . . . 2.8 1.8 2.8 1 1 23 1 . . . . . 3.5 2.8 4.5 1 1 24 1 . . . . . 2.8 1.8 3.8 1 1 25 1 . . . . . 2.8 1.8 3.8 1 1 26 1 . . . . . 2.8 1.8 2.8 1 1 27 1 . . . . . 3.5 2.8 4.5 1 1 28 1 . . . . . 3.5 2.8 4.5 1 1 29 1 . . . . . 2.8 2.8 3.5 1 1 30 1 . . . . . 5.5 3.5 5.5 1 1 31 1 . . . . . 5.5 3.5 5.5 1 1 32 1 . . . . . 3.5 2.8 5.5 1 1 33 1 . . . . . 2.8 1.8 6.2 1 1 34 1 . . . . . 2.8 1.8 6.2 1 1 35 1 . . . . . 2.8 1.8 2.8 1 1 36 1 . . . . . 2.8 2.8 3.5 1 1 37 1 . . . . . 2.8 2.8 3.5 1 1 38 1 . . . . . 2.8 1.8 2.8 1 1 39 1 . . . . . 2.8 1.8 2.8 1 1 40 1 . . . . . 2.8 1.8 2.8 1 1 41 1 . . . . . 2.8 1.8 4.8 1 1 42 1 . . . . . 2.8 2.8 3.5 1 1 43 1 . . . . . 5.5 3.5 5.5 1 1 44 1 . . . . . 2.8 1.8 4.8 1 1 45 1 . . . . . 2.8 1.8 4.8 1 1 46 1 . . . . . 2.8 1.8 2.8 1 1 47 1 . . . . . 2.8 1.8 2.8 1 1 48 1 . . . . . 2.8 2.8 3.5 1 1 49 1 . . . . . 5.5 3.5 6.5 1 1 50 1 . . . . . 2.8 1.8 2.8 1 1 51 1 . . . . . 2.8 1.8 3.8 1 1 52 1 . . . . . 2.8 1.8 3.8 1 1 53 1 . . . . . 2.8 1.8 3.8 1 1 54 1 . . . . . 2.8 2.8 3.5 1 1 55 1 . . . . . 2.8 2.8 3.8 1 1 56 1 . . . . . 2.8 1.8 3.8 1 1 57 1 . . . . . 2.8 1.8 3.8 1 1 58 1 . . . . . 2.8 2.8 3.5 1 1 59 1 . . . . . 5.5 3.5 5.5 1 1 60 1 . . . . . 2.8 2.8 3.5 1 1 61 1 . . . . . 5.5 3.5 5.5 1 1 62 1 . . . . . 5.5 3.5 6.5 1 1 63 1 . . . . . 2.8 2.8 3.5 1 1 64 1 . . . . . 2.8 1.8 2.8 1 1 65 1 . . . . . 2.8 1.8 2.8 1 1 66 1 . . . . . 2.8 1.8 2.8 1 1 67 1 . . . . . 2.8 1.8 2.8 1 1 68 1 . . . . . 2.8 1.8 2.8 1 1 69 1 . . . . . 2.8 2.8 3.5 1 1 70 1 . . . . . 5.5 3.5 5.5 1 1 71 1 . . . . . 5.5 3.5 5.5 1 1 72 1 . . . . . 2.8 1.8 2.8 1 1 73 1 . . . . . 2.8 1.8 2.8 1 1 74 1 . . . . . 2.8 2.8 3.5 1 1 75 1 . . . . . 3.5 2.8 3.5 1 1 76 1 . . . . . 2.8 1.8 2.8 1 1 77 1 . . . . . 2.8 1.8 2.8 1 1 78 1 . . . . . 3.5 2.8 5.5 1 1 79 1 . . . . . 5.5 3.5 5.5 1 1 80 1 . . . . . 5.5 3.5 5.5 1 1 81 1 . . . . . 2.8 1.8 4.8 1 1 82 1 . . . . . 2.8 1.8 4.8 1 1 83 1 . . . . . 2.8 1.8 2.8 1 1 84 1 . . . . . 2.8 1.8 2.8 1 1 85 1 . . . . . 2.8 1.8 3.8 1 1 86 1 . . . . . 2.8 2.8 3.5 1 1 87 1 . . . . . 2.8 1.8 2.8 1 1 88 1 . . . . . 3.5 2.8 3.5 1 1 89 1 . . . . . 2.8 1.8 2.8 1 1 90 1 . . . . . 5.5 3.5 6.5 1 1 91 1 . . . . . 2.8 1.8 2.8 1 1 92 1 . . . . . 2.8 1.8 2.8 1 1 93 1 . . . . . 2.8 1.8 2.8 1 1 94 1 . . . . . 5.5 3.5 5.5 1 1 95 1 . . . . . 5.5 3.5 5.5 1 1 96 1 . . . . . 5.5 3.5 5.5 1 1 97 1 . . . . . 2.8 1.8 3.8 1 1 98 1 . . . . . 2.8 1.8 2.8 1 1 99 1 . . . . . 2.8 1.8 2.8 1 1 100 1 . . . . . . 1.8 2.5 1 1 101 1 . . . . . 2.8 1.8 2.8 1 1 102 1 . . . . . 2.8 1.8 2.8 1 1 103 1 . . . . . 2.8 2.8 3.5 1 1 104 1 . . . . . 3.5 2.8 3.5 1 1 105 1 . . . . . 2.8 1.8 2.8 1 1 106 1 . . . . . 2.8 1.8 2.8 1 1 107 1 . . . . . 5.5 3.5 5.5 1 1 108 1 . . . . . 5.5 3.5 5.5 1 1 109 1 . . . . . 5.0 3.5 5.0 1 1 110 1 . . . . . 2.8 2.8 3.5 1 1 111 1 . . . . . 2.8 1.8 2.8 1 1 112 1 . . . . . 2.8 2.8 3.5 1 1 113 1 . . . . . 2.8 2.8 3.5 1 1 114 1 . . . . . 2.8 1.8 2.8 1 1 115 1 . . . . . 2.8 1.8 2.8 1 1 116 1 . . . . . 2.8 1.8 2.8 1 1 117 1 . . . . . 2.8 1.8 2.8 1 1 118 1 . . . . . 5.5 3.5 5.5 1 1 119 1 . . . . . 5.5 3.5 5.5 1 1 120 1 . . . . . 5.0 3.5 5.0 1 1 121 1 . . . . . . 1.8 2.5 1 1 122 1 . . . . . 2.8 1.8 2.8 1 1 123 1 . . . . . 2.8 1.8 3.8 1 1 124 1 . . . . . 2.8 2.8 3.8 1 1 125 1 . . . . . 2.8 2.8 3.8 1 1 126 1 . . . . . 2.8 1.8 2.8 1 1 127 1 . . . . . 2.8 1.8 3.8 1 1 128 1 . . . . . 2.8 1.8 3.8 1 1 129 1 . . . . . 2.8 1.8 3.8 1 1 130 1 . . . . . 2.8 1.8 2.8 1 1 131 1 . . . . . 3.5 3.5 4.5 1 1 132 1 . . . . . 2.8 1.8 2.8 1 1 133 1 . . . . . 3.5 2.8 3.5 1 1 134 1 . . . . . 2.8 1.8 2.8 1 1 135 1 . . . . . 5.5 3.5 5.5 1 1 136 1 . . . . . 3.5 2.8 4.5 1 1 137 1 . . . . . . 1.8 2.5 1 1 138 1 . . . . . 2.8 1.8 2.8 1 1 139 1 . . . . . 2.8 1.8 3.8 1 1 140 1 . . . . . 3.5 3.5 4.5 1 1 141 1 . . . . . 3.5 2.8 3.5 1 1 142 1 . . . . . 3.5 2.8 3.5 1 1 143 1 . . . . . 3.5 3.5 4.5 1 1 144 1 . . . . . 3.5 2.8 3.5 1 1 145 1 . . . . . 2.8 1.8 2.8 1 1 146 1 . . . . . 5.5 3.5 5.5 1 1 147 1 . . . . . 5.0 3.5 5.0 1 1 148 1 . . . . . 3.5 2.8 4.5 1 1 149 1 . . . . . 3.5 2.8 5.5 1 1 150 1 . . . . . 2.8 1.8 2.8 1 1 151 1 . . . . . 2.8 1.8 2.8 1 1 152 1 . . . . . 2.8 2.8 3.5 1 1 153 1 . . . . . 3.5 2.8 3.5 1 1 154 1 . . . . . 2.8 1.8 2.8 1 1 155 1 . . . . . 2.8 1.8 2.8 1 1 156 1 . . . . . 2.8 1.8 2.8 1 1 157 1 . . . . . 2.8 1.8 2.8 1 1 158 1 . . . . . 2.8 2.8 3.5 1 1 159 1 . . . . . 2.8 2.8 3.5 1 1 160 1 . . . . . 2.8 1.8 2.8 1 1 161 1 . . . . . 2.8 1.8 2.8 1 1 162 1 . . . . . 3.5 2.8 3.5 1 1 163 1 . . . . . 2.8 1.8 2.8 1 1 164 1 . . . . . 2.8 1.8 2.8 1 1 165 1 . . . . . 2.8 1.8 2.8 1 1 166 1 . . . . . 2.8 1.8 2.8 1 1 167 1 . . . . . 2.8 1.8 2.8 1 1 168 1 . . . . . 2.8 1.8 2.8 1 1 169 1 . . . . . 2.8 1.8 2.8 1 1 170 1 . . . . . 2.8 2.8 3.5 1 1 171 1 . . . . . 3.5 2.8 3.5 1 1 172 1 . . . . . 2.8 1.8 2.8 1 1 173 1 . . . . . 2.8 1.8 2.8 1 1 174 1 . . . . . 2.8 1.8 2.8 1 1 175 1 . . . . . 2.8 1.8 2.8 1 1 176 1 . . . . . 2.8 1.8 3.8 1 1 177 1 . . . . . 3.5 2.8 3.5 1 1 178 1 . . . . . 2.8 1.8 2.8 1 1 179 1 . . . . . 2.8 1.8 2.8 1 1 180 1 . . . . . 2.8 1.8 2.8 1 1 181 1 . . . . . 2.8 1.8 2.8 1 1 182 1 . . . . . 2.8 1.8 2.8 1 1 183 1 . . . . . 2.8 1.8 2.8 1 1 stop_ save_ save_Discover_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 SER CA 1 1 1 SER C 1 1 2 ASP N 1 1 2 ASP CA 178.0 179.99998 1 1 SER CA 1 1 SER C 1 2 ASP N 1 2 ASP CA 1 1 2 . 1 1 2 ASP CA 1 1 2 ASP C 1 1 3 THR N 1 1 3 THR CA 178.0 179.99998 1 2 ASP CA 1 2 ASP C 1 3 THR N 1 3 THR CA 1 1 3 . 1 1 3 THR CA 1 1 3 THR C 1 1 4 ARG N 1 1 4 ARG CA 178.0 179.99998 1 3 THR CA 1 3 THR C 1 4 ARG N 1 4 ARG CA 1 1 4 . 1 1 4 ARG CA 1 1 4 ARG C 1 1 5 TYR N 1 1 5 TYR CA 178.0 179.99998 1 4 ARG CA 1 4 ARG C 1 5 TYR N 1 5 TYR CA 1 1 5 . 1 1 5 TYR CA 1 1 5 TYR C 1 1 6 ASN N 1 1 6 ASN CA 178.0 179.99998 1 5 TYR CA 1 5 TYR C 1 6 ASN N 1 6 ASN CA 1 1 6 . 1 1 6 ASN CA 1 1 6 ASN C 1 1 7 LYS N 1 1 7 LYS CA 178.0 179.99998 1 6 ASN CA 1 6 ASN C 1 7 LYS N 1 7 LYS CA 1 1 7 . 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 ASP N 1 1 8 ASP CA 178.0 179.99998 1 7 LYS CA 1 7 LYS C 1 8 ASP N 1 8 ASP CA 1 1 8 . 1 1 8 ASP CA 1 1 8 ASP C 1 1 9 PHE N 1 1 9 PHE CA 178.0 179.99998 1 8 ASP CA 1 8 ASP C 1 9 PHE N 1 9 PHE CA 1 1 9 . 1 1 9 PHE CA 1 1 9 PHE C 1 1 10 ILE N 1 1 10 ILE CA 178.0 179.99998 1 9 PHE CA 1 9 PHE C 1 10 ILE N 1 10 ILE CA 1 1 10 . 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 ASN N 1 1 11 ASN CA 178.0 179.99998 1 10 ILE CA 1 10 ILE C 1 11 ASN N 1 11 ASN CA 1 1 11 . 1 1 11 ASN CA 1 1 11 ASN C 1 1 12 ASN N 1 1 12 ASN CA 178.0 179.99998 1 11 ASN CA 1 11 ASN C 1 12 ASN N 1 12 ASN CA 1 1 12 . 1 1 12 ASN CA 1 1 12 ASN C 1 1 13 LYS N 1 1 13 LYS CA 178.0 179.99998 1 12 ASN CA 1 12 ASN C 1 13 LYS N 1 13 LYS CA 1 1 13 . 1 1 13 LYS CA 1 1 13 LYS C 1 1 14 HIS N 1 1 14 HIS CA 178.0 179.99998 1 13 LYS CA 1 13 LYS C 1 14 HIS N 1 14 HIS CA 1 1 14 . 1 1 14 HIS CA 1 1 14 HIS C 1 1 15 LEU N 1 1 15 LEU CA 178.0 179.99998 1 14 HIS CA 1 14 HIS C 1 15 LEU N 1 15 LEU CA 1 1 15 . 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 ASN N 1 1 16 ASN CA 178.0 179.99998 1 15 LEU CA 1 15 LEU C 1 16 ASN N 1 16 ASN CA 1 1 16 . 1 1 16 ASN CA 1 1 16 ASN C 1 1 17 GLU N 1 1 17 GLU CA 178.0 179.99998 1 16 ASN CA 1 16 ASN C 1 17 GLU N 1 17 GLU CA 1 1 17 . 1 1 17 GLU CA 1 1 17 GLU C 1 1 18 HIS N 1 1 18 HIS CA 178.0 179.99998 1 17 GLU CA 1 17 GLU C 1 18 HIS N 1 18 HIS CA 1 1 18 . 1 1 18 HIS CA 1 1 18 HIS C 1 1 19 ALA N 1 1 19 ALA CA 178.0 179.99998 1 18 HIS CA 1 18 HIS C 1 19 ALA N 1 19 ALA CA 1 1 19 . 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 HIS N 1 1 20 HIS CA 178.0 179.99998 1 19 ALA CA 1 19 ALA C 1 20 HIS N 1 20 HIS CA 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 SER C C 1.816 6.126 9.686 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C 3.008 5.529 10.496 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C 2.796 4.298 11.390 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER H1 H 3.852 7.118 10.502 1.00 . A A . 1 SER H1 1 1 1 5 1 1 1 SER H2 H 3.299 7.261 11.811 1.00 . A A . 1 SER H2 1 1 1 6 1 1 1 SER H3 H 4.767 6.412 11.339 1.00 . A A . 1 SER H3 1 1 1 7 1 1 1 SER HA H 3.709 5.154 9.740 1.00 . A A . 1 SER HA 1 1 1 8 1 1 1 SER HB2 H 3.763 3.771 11.526 1.00 . A A . 1 SER HB2 1 1 1 9 1 1 1 SER HB3 H 2.515 4.660 12.384 1.00 . A A . 1 SER HB3 1 1 1 10 1 1 1 SER HG H 2.172 3.089 10.031 1.00 . A A . 1 SER HG 1 1 1 11 1 1 1 SER N N 3.765 6.519 11.311 1.00 . A A . 1 SER N 1 1 1 12 1 1 1 SER O O 0.660 5.703 9.783 1.00 . A A . 1 SER O 1 1 1 13 1 1 1 SER OG O 1.837 3.377 10.884 1.00 . A A . 1 SER OG 1 1 1 14 1 1 2 ASP C C 1.946 8.564 6.756 1.00 . A A . 2 ASP C 1 1 1 15 1 1 2 ASP CA C 1.249 7.899 8.005 1.00 . A A . 2 ASP CA 1 1 1 16 1 1 2 ASP CB C 0.487 8.941 8.900 1.00 . A A . 2 ASP CB 1 1 1 17 1 1 2 ASP CG C -0.873 9.414 8.368 1.00 . A A . 2 ASP CG 1 1 1 18 1 1 2 ASP H H 3.168 7.383 9.002 1.00 . A A . 2 ASP H 1 1 1 19 1 1 2 ASP HA H 0.572 7.145 7.592 1.00 . A A . 2 ASP HA 1 1 1 20 1 1 2 ASP HB2 H 0.324 8.563 9.932 1.00 . A A . 2 ASP HB2 1 1 1 21 1 1 2 ASP HB3 H 1.129 9.830 9.052 1.00 . A A . 2 ASP HB3 1 1 1 22 1 1 2 ASP HD2 H -2.767 9.061 8.637 1.00 . A A . 2 ASP HD2 1 1 1 23 1 1 2 ASP N N 2.180 7.145 8.887 1.00 . A A . 2 ASP N 1 1 1 24 1 1 2 ASP O O 1.427 9.553 6.232 1.00 . A A . 2 ASP O 1 1 1 25 1 1 2 ASP OD1 O -1.007 10.295 7.520 1.00 . A A . 2 ASP OD1 1 1 1 26 1 1 2 ASP OD2 O -1.918 8.758 8.964 1.00 . A A . 2 ASP OD2 1 1 1 27 1 1 3 THR C C 3.129 9.190 3.903 1.00 . A A . 3 THR C 1 1 1 28 1 1 3 THR CA C 3.848 8.434 5.059 1.00 . A A . 3 THR CA 1 1 1 29 1 1 3 THR CB C 4.835 7.294 4.648 1.00 . A A . 3 THR CB 1 1 1 30 1 1 3 THR CG2 C 4.217 5.934 4.290 1.00 . A A . 3 THR CG2 1 1 1 31 1 1 3 THR H H 3.185 7.012 6.572 1.00 . A A . 3 THR H 1 1 1 32 1 1 3 THR HA H 4.510 9.196 5.482 1.00 . A A . 3 THR HA 1 1 1 33 1 1 3 THR HB H 5.512 7.114 5.506 1.00 . A A . 3 THR HB 1 1 1 34 1 1 3 THR HG1 H 6.276 7.001 3.406 1.00 . A A . 3 THR HG1 1 1 1 35 1 1 3 THR HG21 H 3.574 5.993 3.394 1.00 . A A . 3 THR HG21 1 1 1 36 1 1 3 THR HG22 H 5.012 5.196 4.095 1.00 . A A . 3 THR HG22 1 1 1 37 1 1 3 THR HG23 H 3.601 5.532 5.115 1.00 . A A . 3 THR HG23 1 1 1 38 1 1 3 THR N N 3.038 7.964 6.225 1.00 . A A . 3 THR N 1 1 1 39 1 1 3 THR O O 3.221 10.421 3.856 1.00 . A A . 3 THR O 1 1 1 40 1 1 3 THR OG1 O 5.655 7.717 3.563 1.00 . A A . 3 THR OG1 1 1 1 41 1 1 4 ARG C C 0.382 9.809 2.463 1.00 . A A . 4 ARG C 1 1 1 42 1 1 4 ARG CA C 1.654 9.128 1.905 1.00 . A A . 4 ARG CA 1 1 1 43 1 1 4 ARG CB C 1.289 8.137 0.757 1.00 . A A . 4 ARG CB 1 1 1 44 1 1 4 ARG CD C 3.609 8.067 -0.513 1.00 . A A . 4 ARG CD 1 1 1 45 1 1 4 ARG CG C 2.402 7.290 0.092 1.00 . A A . 4 ARG CG 1 1 1 46 1 1 4 ARG CZ C 5.589 7.506 -1.948 1.00 . A A . 4 ARG CZ 1 1 1 47 1 1 4 ARG H H 2.542 7.481 3.074 1.00 . A A . 4 ARG H 1 1 1 48 1 1 4 ARG HA H 2.297 9.924 1.513 1.00 . A A . 4 ARG HA 1 1 1 49 1 1 4 ARG HB2 H 0.524 7.427 1.132 1.00 . A A . 4 ARG HB2 1 1 1 50 1 1 4 ARG HB3 H 0.753 8.681 -0.044 1.00 . A A . 4 ARG HB3 1 1 1 51 1 1 4 ARG HD2 H 3.283 8.966 -1.075 1.00 . A A . 4 ARG HD2 1 1 1 52 1 1 4 ARG HD3 H 4.270 8.458 0.289 1.00 . A A . 4 ARG HD3 1 1 1 53 1 1 4 ARG HE H 3.982 6.307 -1.684 1.00 . A A . 4 ARG HE 1 1 1 54 1 1 4 ARG HG2 H 2.744 6.523 0.817 1.00 . A A . 4 ARG HG2 1 1 1 55 1 1 4 ARG HG3 H 1.901 6.674 -0.688 1.00 . A A . 4 ARG HG3 1 1 1 56 1 1 4 ARG HH11 H 7.145 8.764 -2.162 1.00 . A A . 4 ARG HH11 1 1 1 57 1 1 4 ARG HH12 H 5.765 9.317 -1.087 1.00 . A A . 4 ARG HH12 1 1 1 58 1 1 4 ARG HH21 H 5.652 5.753 -2.913 1.00 . A A . 4 ARG HH21 1 1 1 59 1 1 4 ARG HH22 H 7.083 6.882 -3.127 1.00 . A A . 4 ARG HH22 1 1 1 60 1 1 4 ARG N N 2.414 8.488 3.012 1.00 . A A . 4 ARG N 1 1 1 61 1 1 4 ARG NE N 4.385 7.197 -1.430 1.00 . A A . 4 ARG NE 1 1 1 62 1 1 4 ARG NH1 N 6.234 8.647 -1.708 1.00 . A A . 4 ARG NH1 1 1 1 63 1 1 4 ARG NH2 N 6.166 6.624 -2.742 1.00 . A A . 4 ARG NH2 1 1 1 64 1 1 4 ARG O O 0.282 11.037 2.523 1.00 . A A . 4 ARG O 1 1 1 65 1 1 5 TYR C C -2.303 8.105 4.282 1.00 . A A . 5 TYR C 1 1 1 66 1 1 5 TYR CA C -1.853 9.353 3.459 1.00 . A A . 5 TYR CA 1 1 1 67 1 1 5 TYR CB C -2.854 9.874 2.401 1.00 . A A . 5 TYR CB 1 1 1 68 1 1 5 TYR CD1 C -4.033 11.893 3.413 1.00 . A A . 5 TYR CD1 1 1 1 69 1 1 5 TYR CD2 C -5.335 9.899 3.009 1.00 . A A . 5 TYR CD2 1 1 1 70 1 1 5 TYR CE1 C -5.166 12.531 3.915 1.00 . A A . 5 TYR CE1 1 1 1 71 1 1 5 TYR CE2 C -6.467 10.537 3.513 1.00 . A A . 5 TYR CE2 1 1 1 72 1 1 5 TYR CG C -4.109 10.570 2.958 1.00 . A A . 5 TYR CG 1 1 1 73 1 1 5 TYR CZ C -6.383 11.853 3.965 1.00 . A A . 5 TYR CZ 1 1 1 74 1 1 5 TYR H H -0.243 7.993 2.919 1.00 . A A . 5 TYR H 1 1 1 75 1 1 5 TYR HA H -1.681 10.199 4.123 1.00 . A A . 5 TYR HA 1 1 1 76 1 1 5 TYR HB2 H -2.341 10.571 1.713 1.00 . A A . 5 TYR HB2 1 1 1 77 1 1 5 TYR HB3 H -3.128 9.024 1.771 1.00 . A A . 5 TYR HB3 1 1 1 78 1 1 5 TYR HD1 H -3.096 12.432 3.380 1.00 . A A . 5 TYR HD1 1 1 1 79 1 1 5 TYR HD2 H -5.418 8.879 2.660 1.00 . A A . 5 TYR HD2 1 1 1 80 1 1 5 TYR HE1 H -5.097 13.551 4.264 1.00 . A A . 5 TYR HE1 1 1 1 81 1 1 5 TYR HE2 H -7.409 10.009 3.549 1.00 . A A . 5 TYR HE2 1 1 1 82 1 1 5 TYR HH H -7.262 13.374 4.723 1.00 . A A . 5 TYR HH 1 1 1 83 1 1 5 TYR N N -0.573 8.955 2.848 1.00 . A A . 5 TYR N 1 1 1 84 1 1 5 TYR O O -3.310 7.480 3.932 1.00 . A A . 5 TYR O 1 1 1 85 1 1 5 TYR OH O -7.497 12.482 4.460 1.00 . A A . 5 TYR OH 1 1 1 86 1 1 6 ASN C C -1.547 5.225 5.453 1.00 . A A . 6 ASN C 1 1 1 87 1 1 6 ASN CA C -1.893 6.545 6.213 1.00 . A A . 6 ASN CA 1 1 1 88 1 1 6 ASN CB C -3.341 6.550 6.815 1.00 . A A . 6 ASN CB 1 1 1 89 1 1 6 ASN CG C -3.569 5.547 7.967 1.00 . A A . 6 ASN CG 1 1 1 90 1 1 6 ASN H H -0.600 8.092 5.437 1.00 . A A . 6 ASN H 1 1 1 91 1 1 6 ASN HA H -1.259 6.631 7.113 1.00 . A A . 6 ASN HA 1 1 1 92 1 1 6 ASN HB2 H -3.612 7.567 7.150 1.00 . A A . 6 ASN HB2 1 1 1 93 1 1 6 ASN HB3 H -4.081 6.318 6.024 1.00 . A A . 6 ASN HB3 1 1 1 94 1 1 6 ASN HD21 H -3.431 5.235 9.943 1.00 . A A . 6 ASN HD21 1 1 1 95 1 1 6 ASN HD22 H -2.901 6.875 9.314 1.00 . A A . 6 ASN HD22 1 1 1 96 1 1 6 ASN N N -1.563 7.718 5.362 1.00 . A A . 6 ASN N 1 1 1 97 1 1 6 ASN ND2 N -3.270 5.924 9.200 1.00 . A A . 6 ASN ND2 1 1 1 98 1 1 6 ASN O O -2.501 4.580 4.999 1.00 . A A . 6 ASN O 1 1 1 99 1 1 6 ASN OD1 O -4.013 4.420 7.751 1.00 . A A . 6 ASN OD1 1 1 1 100 1 1 7 LYS C C -0.334 3.388 3.076 1.00 . A A . 7 LYS C 1 1 1 101 1 1 7 LYS CA C 0.051 3.492 4.554 1.00 . A A . 7 LYS CA 1 1 1 102 1 1 7 LYS CB C -0.611 2.332 5.393 1.00 . A A . 7 LYS CB 1 1 1 103 1 1 7 LYS CD C 0.849 2.392 7.585 1.00 . A A . 7 LYS CD 1 1 1 104 1 1 7 LYS CE C 1.464 1.002 7.809 1.00 . A A . 7 LYS CE 1 1 1 105 1 1 7 LYS CG C -0.556 2.370 6.949 1.00 . A A . 7 LYS CG 1 1 1 106 1 1 7 LYS H H 0.507 5.411 5.551 1.00 . A A . 7 LYS H 1 1 1 107 1 1 7 LYS HA H 1.095 3.152 4.470 1.00 . A A . 7 LYS HA 1 1 1 108 1 1 7 LYS HB2 H -1.681 2.266 5.122 1.00 . A A . 7 LYS HB2 1 1 1 109 1 1 7 LYS HB3 H -0.201 1.374 5.063 1.00 . A A . 7 LYS HB3 1 1 1 110 1 1 7 LYS HD2 H 1.532 2.994 6.959 1.00 . A A . 7 LYS HD2 1 1 1 111 1 1 7 LYS HD3 H 0.808 2.945 8.543 1.00 . A A . 7 LYS HD3 1 1 1 112 1 1 7 LYS HE2 H 1.239 0.346 6.950 1.00 . A A . 7 LYS HE2 1 1 1 113 1 1 7 LYS HE3 H 2.563 1.104 7.840 1.00 . A A . 7 LYS HE3 1 1 1 114 1 1 7 LYS HG2 H -1.099 3.265 7.305 1.00 . A A . 7 LYS HG2 1 1 1 115 1 1 7 LYS HG3 H -1.146 1.531 7.354 1.00 . A A . 7 LYS HG3 1 1 1 116 1 1 7 LYS HZ1 H 1.439 -0.555 9.154 1.00 . A A . 7 LYS HZ1 1 1 1 117 1 1 7 LYS HZ2 H -0.020 0.250 9.034 1.00 . A A . 7 LYS HZ2 1 1 1 118 1 1 7 LYS HZ3 H 1.210 0.944 9.859 1.00 . A A . 7 LYS HZ3 1 1 1 119 1 1 7 LYS N N -0.252 4.804 5.241 1.00 . A A . 7 LYS N 1 1 1 120 1 1 7 LYS NZ N 1.001 0.349 9.049 1.00 . A A . 7 LYS NZ 1 1 1 121 1 1 7 LYS O O 0.102 2.380 2.510 1.00 . A A . 7 LYS O 1 1 1 122 1 1 8 ASP C C -2.024 2.688 0.703 1.00 . A A . 8 ASP C 1 1 1 123 1 1 8 ASP CA C -1.378 4.149 0.895 1.00 . A A . 8 ASP CA 1 1 1 124 1 1 8 ASP CB C -0.193 4.589 0.028 1.00 . A A . 8 ASP CB 1 1 1 125 1 1 8 ASP CG C -0.400 4.661 -1.493 1.00 . A A . 8 ASP CG 1 1 1 126 1 1 8 ASP H H -0.671 5.283 2.676 1.00 . A A . 8 ASP H 1 1 1 127 1 1 8 ASP HA H -2.164 4.858 0.583 1.00 . A A . 8 ASP HA 1 1 1 128 1 1 8 ASP HB2 H 0.102 5.611 0.331 1.00 . A A . 8 ASP HB2 1 1 1 129 1 1 8 ASP HB3 H 0.639 3.946 0.317 1.00 . A A . 8 ASP HB3 1 1 1 130 1 1 8 ASP HD2 H 1.458 5.245 -1.523 1.00 . A A . 8 ASP HD2 1 1 1 131 1 1 8 ASP N N -0.981 4.364 2.356 1.00 . A A . 8 ASP N 1 1 1 132 1 1 8 ASP O O -1.894 2.000 -0.311 1.00 . A A . 8 ASP O 1 1 1 133 1 1 8 ASP OD1 O -1.458 4.403 -2.066 1.00 . A A . 8 ASP OD1 1 1 1 134 1 1 8 ASP OD2 O 0.737 5.081 -2.136 1.00 . A A . 8 ASP OD2 1 1 1 135 1 1 9 PHE C C -2.527 -0.192 2.457 1.00 . A A . 9 PHE C 1 1 1 136 1 1 9 PHE CA C -3.399 1.074 2.150 1.00 . A A . 9 PHE CA 1 1 1 137 1 1 9 PHE CB C -4.625 0.935 1.231 1.00 . A A . 9 PHE CB 1 1 1 138 1 1 9 PHE CD1 C -5.683 -1.360 0.916 1.00 . A A . 9 PHE CD1 1 1 1 139 1 1 9 PHE CD2 C -6.616 0.113 2.593 1.00 . A A . 9 PHE CD2 1 1 1 140 1 1 9 PHE CE1 C -6.629 -2.336 1.249 1.00 . A A . 9 PHE CE1 1 1 1 141 1 1 9 PHE CE2 C -7.561 -0.865 2.923 1.00 . A A . 9 PHE CE2 1 1 1 142 1 1 9 PHE CG C -5.672 -0.133 1.590 1.00 . A A . 9 PHE CG 1 1 1 143 1 1 9 PHE CZ C -7.563 -2.083 2.250 1.00 . A A . 9 PHE CZ 1 1 1 144 1 1 9 PHE H H -2.718 3.056 2.508 1.00 . A A . 9 PHE H 1 1 1 145 1 1 9 PHE HA H -3.765 1.340 3.124 1.00 . A A . 9 PHE HA 1 1 1 146 1 1 9 PHE HB2 H -5.114 1.929 1.200 1.00 . A A . 9 PHE HB2 1 1 1 147 1 1 9 PHE HB3 H -4.235 0.781 0.225 1.00 . A A . 9 PHE HB3 1 1 1 148 1 1 9 PHE HD1 H -4.938 -1.531 0.143 1.00 . A A . 9 PHE HD1 1 1 1 149 1 1 9 PHE HD2 H -6.585 1.072 3.102 1.00 . A A . 9 PHE HD2 1 1 1 150 1 1 9 PHE HE1 H -6.672 -3.302 0.756 1.00 . A A . 9 PHE HE1 1 1 1 151 1 1 9 PHE HE2 H -8.310 -0.717 3.696 1.00 . A A . 9 PHE HE2 1 1 1 152 1 1 9 PHE HZ H -8.292 -2.836 2.507 1.00 . A A . 9 PHE HZ 1 1 1 153 1 1 9 PHE N N -2.692 2.295 1.821 1.00 . A A . 9 PHE N 1 1 1 154 1 1 9 PHE O O -3.122 -1.158 2.942 1.00 . A A . 9 PHE O 1 1 1 155 1 1 10 ILE C C 1.120 -1.065 2.995 1.00 . A A . 10 ILE C 1 1 1 156 1 1 10 ILE CA C -0.348 -1.451 2.561 1.00 . A A . 10 ILE CA 1 1 1 157 1 1 10 ILE CB C -0.289 -2.326 1.261 1.00 . A A . 10 ILE CB 1 1 1 158 1 1 10 ILE CD1 C -1.256 -2.349 -1.112 1.00 . A A . 10 ILE CD1 1 1 1 159 1 1 10 ILE CG1 C -1.540 -2.330 0.373 1.00 . A A . 10 ILE CG1 1 1 1 160 1 1 10 ILE CG2 C 0.155 -3.788 1.549 1.00 . A A . 10 ILE CG2 1 1 1 161 1 1 10 ILE H H -0.697 0.455 1.726 1.00 . A A . 10 ILE H 1 1 1 162 1 1 10 ILE HA H -0.905 -2.072 3.235 1.00 . A A . 10 ILE HA 1 1 1 163 1 1 10 ILE HB H 0.457 -1.856 0.636 1.00 . A A . 10 ILE HB 1 1 1 164 1 1 10 ILE HD11 H -2.201 -2.357 -1.675 1.00 . A A . 10 ILE HD11 1 1 1 165 1 1 10 ILE HD12 H -0.743 -1.399 -1.358 1.00 . A A . 10 ILE HD12 1 1 1 166 1 1 10 ILE HD13 H -0.595 -3.182 -1.388 1.00 . A A . 10 ILE HD13 1 1 1 167 1 1 10 ILE HG12 H -2.195 -3.060 0.813 1.00 . A A . 10 ILE HG12 1 1 1 168 1 1 10 ILE HG13 H -2.104 -1.409 0.455 1.00 . A A . 10 ILE HG13 1 1 1 169 1 1 10 ILE HG21 H 1.106 -3.835 2.111 1.00 . A A . 10 ILE HG21 1 1 1 170 1 1 10 ILE HG22 H -0.596 -4.337 2.148 1.00 . A A . 10 ILE HG22 1 1 1 171 1 1 10 ILE HG23 H 0.312 -4.362 0.616 1.00 . A A . 10 ILE HG23 1 1 1 172 1 1 10 ILE N N -1.162 -0.236 2.300 1.00 . A A . 10 ILE N 1 1 1 173 1 1 10 ILE O O 2.074 -1.429 2.295 1.00 . A A . 10 ILE O 1 1 1 174 1 1 11 ASN C C 3.580 0.810 3.383 1.00 . A A . 11 ASN C 1 1 1 175 1 1 11 ASN CA C 2.790 0.028 4.530 1.00 . A A . 11 ASN CA 1 1 1 176 1 1 11 ASN CB C 3.499 -1.228 5.108 1.00 . A A . 11 ASN CB 1 1 1 177 1 1 11 ASN CG C 4.800 -0.999 5.907 1.00 . A A . 11 ASN CG 1 1 1 178 1 1 11 ASN H H 0.604 -0.287 4.775 1.00 . A A . 11 ASN H 1 1 1 179 1 1 11 ASN HA H 2.749 0.668 5.426 1.00 . A A . 11 ASN HA 1 1 1 180 1 1 11 ASN HB2 H 2.790 -1.804 5.737 1.00 . A A . 11 ASN HB2 1 1 1 181 1 1 11 ASN HB3 H 3.714 -1.887 4.265 1.00 . A A . 11 ASN HB3 1 1 1 182 1 1 11 ASN HD21 H 5.574 -0.647 7.724 1.00 . A A . 11 ASN HD21 1 1 1 183 1 1 11 ASN HD22 H 3.748 -0.793 7.598 1.00 . A A . 11 ASN HD22 1 1 1 184 1 1 11 ASN N N 1.387 -0.359 4.120 1.00 . A A . 11 ASN N 1 1 1 185 1 1 11 ASN ND2 N 4.698 -0.790 7.209 1.00 . A A . 11 ASN ND2 1 1 1 186 1 1 11 ASN O O 4.805 0.695 3.324 1.00 . A A . 11 ASN O 1 1 1 187 1 1 11 ASN OD1 O 5.905 -1.021 5.365 1.00 . A A . 11 ASN OD1 1 1 1 188 1 1 12 ASN C C 3.365 1.499 0.079 1.00 . A A . 12 ASN C 1 1 1 189 1 1 12 ASN CA C 3.433 2.396 1.365 1.00 . A A . 12 ASN CA 1 1 1 190 1 1 12 ASN CB C 4.772 3.083 1.650 1.00 . A A . 12 ASN CB 1 1 1 191 1 1 12 ASN CG C 5.241 4.140 0.641 1.00 . A A . 12 ASN CG 1 1 1 192 1 1 12 ASN H H 1.889 1.488 2.395 1.00 . A A . 12 ASN H 1 1 1 193 1 1 12 ASN HA H 2.764 3.249 1.225 1.00 . A A . 12 ASN HA 1 1 1 194 1 1 12 ASN HB2 H 4.750 3.481 2.684 1.00 . A A . 12 ASN HB2 1 1 1 195 1 1 12 ASN HB3 H 5.501 2.304 1.695 1.00 . A A . 12 ASN HB3 1 1 1 196 1 1 12 ASN HD21 H 5.361 6.139 0.541 1.00 . A A . 12 ASN HD21 1 1 1 197 1 1 12 ASN HD22 H 4.787 5.220 2.053 1.00 . A A . 12 ASN HD22 1 1 1 198 1 1 12 ASN N N 2.894 1.607 2.498 1.00 . A A . 12 ASN N 1 1 1 199 1 1 12 ASN ND2 N 5.291 5.327 1.165 1.00 . A A . 12 ASN ND2 1 1 1 200 1 1 12 ASN O O 4.384 1.367 -0.603 1.00 . A A . 12 ASN O 1 1 1 201 1 1 12 ASN OD1 O 5.519 3.922 -0.538 1.00 . A A . 12 ASN OD1 1 1 1 202 1 1 13 LYS C C 3.050 -1.220 -1.488 1.00 . A A . 13 LYS C 1 1 1 203 1 1 13 LYS CA C 2.115 0.026 -1.524 1.00 . A A . 13 LYS CA 1 1 1 204 1 1 13 LYS CB C 2.193 0.799 -2.870 1.00 . A A . 13 LYS CB 1 1 1 205 1 1 13 LYS CD C -0.377 1.243 -3.245 1.00 . A A . 13 LYS CD 1 1 1 206 1 1 13 LYS CE C -0.665 0.232 -4.375 1.00 . A A . 13 LYS CE 1 1 1 207 1 1 13 LYS CG C 1.061 1.807 -3.150 1.00 . A A . 13 LYS CG 1 1 1 208 1 1 13 LYS H H 1.359 0.991 0.300 1.00 . A A . 13 LYS H 1 1 1 209 1 1 13 LYS HA H 1.115 -0.395 -1.469 1.00 . A A . 13 LYS HA 1 1 1 210 1 1 13 LYS HB2 H 3.159 1.333 -2.925 1.00 . A A . 13 LYS HB2 1 1 1 211 1 1 13 LYS HB3 H 2.220 0.075 -3.705 1.00 . A A . 13 LYS HB3 1 1 1 212 1 1 13 LYS HD2 H -0.633 0.773 -2.278 1.00 . A A . 13 LYS HD2 1 1 1 213 1 1 13 LYS HD3 H -1.083 2.088 -3.324 1.00 . A A . 13 LYS HD3 1 1 1 214 1 1 13 LYS HE2 H 0.022 -0.631 -4.312 1.00 . A A . 13 LYS HE2 1 1 1 215 1 1 13 LYS HE3 H -1.677 -0.188 -4.235 1.00 . A A . 13 LYS HE3 1 1 1 216 1 1 13 LYS HG2 H 1.090 2.563 -2.351 1.00 . A A . 13 LYS HG2 1 1 1 217 1 1 13 LYS HG3 H 1.296 2.365 -4.075 1.00 . A A . 13 LYS HG3 1 1 1 218 1 1 13 LYS HZ1 H -0.798 0.132 -6.426 1.00 . A A . 13 LYS HZ1 1 1 1 219 1 1 13 LYS HZ2 H -1.237 1.617 -5.797 1.00 . A A . 13 LYS HZ2 1 1 1 220 1 1 13 LYS HZ3 H 0.346 1.221 -5.881 1.00 . A A . 13 LYS HZ3 1 1 1 221 1 1 13 LYS N N 2.203 0.892 -0.305 1.00 . A A . 13 LYS N 1 1 1 222 1 1 13 LYS NZ N -0.588 0.827 -5.724 1.00 . A A . 13 LYS NZ 1 1 1 223 1 1 13 LYS O O 4.061 -1.309 -2.191 1.00 . A A . 13 LYS O 1 1 1 224 1 1 14 HIS C C 4.810 -3.241 0.079 1.00 . A A . 14 HIS C 1 1 1 225 1 1 14 HIS CA C 3.346 -3.480 -0.393 1.00 . A A . 14 HIS CA 1 1 1 226 1 1 14 HIS CB C 3.157 -4.470 -1.573 1.00 . A A . 14 HIS CB 1 1 1 227 1 1 14 HIS CD2 C 4.358 -6.767 -1.866 1.00 . A A . 14 HIS CD2 1 1 1 228 1 1 14 HIS CE1 C 3.639 -7.724 -0.135 1.00 . A A . 14 HIS CE1 1 1 1 229 1 1 14 HIS CG C 3.488 -5.906 -1.174 1.00 . A A . 14 HIS CG 1 1 1 230 1 1 14 HIS H H 1.866 -1.854 -0.050 1.00 . A A . 14 HIS H 1 1 1 231 1 1 14 HIS HA H 2.834 -3.946 0.459 1.00 . A A . 14 HIS HA 1 1 1 232 1 1 14 HIS HB2 H 2.106 -4.451 -1.924 1.00 . A A . 14 HIS HB2 1 1 1 233 1 1 14 HIS HB3 H 3.760 -4.152 -2.445 1.00 . A A . 14 HIS HB3 1 1 1 234 1 1 14 HIS HD2 H 4.883 -6.524 -2.778 1.00 . A A . 14 HIS HD2 1 1 1 235 1 1 14 HIS HE1 H 3.492 -8.482 0.620 1.00 . A A . 14 HIS HE1 1 1 1 236 1 1 14 HIS HE2 H 5.022 -8.803 -1.423 1.00 . A A . 14 HIS HE2 1 1 1 237 1 1 14 HIS N N 2.644 -2.184 -0.640 1.00 . A A . 14 HIS N 1 1 1 238 1 1 14 HIS ND1 N 2.998 -6.513 -0.023 1.00 . A A . 14 HIS ND1 1 1 1 239 1 1 14 HIS NE2 N 4.465 -7.972 -1.198 1.00 . A A . 14 HIS NE2 1 1 1 240 1 1 14 HIS O O 5.758 -3.744 -0.531 1.00 . A A . 14 HIS O 1 1 1 241 1 1 15 LEU C C 7.217 -1.413 0.714 1.00 . A A . 15 LEU C 1 1 1 242 1 1 15 LEU CA C 6.294 -2.123 1.775 1.00 . A A . 15 LEU CA 1 1 1 243 1 1 15 LEU CB C 6.979 -3.333 2.497 1.00 . A A . 15 LEU CB 1 1 1 244 1 1 15 LEU CD1 C 5.273 -5.226 3.025 1.00 . A A . 15 LEU CD1 1 1 1 245 1 1 15 LEU CD2 C 7.269 -4.874 4.496 1.00 . A A . 15 LEU CD2 1 1 1 246 1 1 15 LEU CG C 6.222 -4.134 3.612 1.00 . A A . 15 LEU CG 1 1 1 247 1 1 15 LEU H H 4.107 -2.114 1.608 1.00 . A A . 15 LEU H 1 1 1 248 1 1 15 LEU HA H 6.107 -1.346 2.532 1.00 . A A . 15 LEU HA 1 1 1 249 1 1 15 LEU HB2 H 7.347 -4.042 1.729 1.00 . A A . 15 LEU HB2 1 1 1 250 1 1 15 LEU HB3 H 7.905 -2.919 2.938 1.00 . A A . 15 LEU HB3 1 1 1 251 1 1 15 LEU HD11 H 5.792 -5.910 2.322 1.00 . A A . 15 LEU HD11 1 1 1 252 1 1 15 LEU HD12 H 4.830 -5.877 3.804 1.00 . A A . 15 LEU HD12 1 1 1 253 1 1 15 LEU HD13 H 4.416 -4.812 2.465 1.00 . A A . 15 LEU HD13 1 1 1 254 1 1 15 LEU HD21 H 7.887 -5.592 3.915 1.00 . A A . 15 LEU HD21 1 1 1 255 1 1 15 LEU HD22 H 7.986 -4.186 4.982 1.00 . A A . 15 LEU HD22 1 1 1 256 1 1 15 LEU HD23 H 6.809 -5.466 5.310 1.00 . A A . 15 LEU HD23 1 1 1 257 1 1 15 LEU HG H 5.635 -3.408 4.250 1.00 . A A . 15 LEU HG 1 1 1 258 1 1 15 LEU N N 4.971 -2.474 1.190 1.00 . A A . 15 LEU N 1 1 1 259 1 1 15 LEU O O 8.430 -1.648 0.696 1.00 . A A . 15 LEU O 1 1 1 260 1 1 16 ASN C C 8.095 -0.805 -2.193 1.00 . A A . 16 ASN C 1 1 1 261 1 1 16 ASN CA C 7.389 0.204 -1.226 1.00 . A A . 16 ASN CA 1 1 1 262 1 1 16 ASN CB C 8.198 1.352 -0.607 1.00 . A A . 16 ASN CB 1 1 1 263 1 1 16 ASN CG C 8.920 2.286 -1.584 1.00 . A A . 16 ASN CG 1 1 1 264 1 1 16 ASN H H 5.636 -0.341 -0.045 1.00 . A A . 16 ASN H 1 1 1 265 1 1 16 ASN HA H 6.652 0.761 -1.817 1.00 . A A . 16 ASN HA 1 1 1 266 1 1 16 ASN HB2 H 7.493 1.904 0.053 1.00 . A A . 16 ASN HB2 1 1 1 267 1 1 16 ASN HB3 H 8.925 0.972 0.083 1.00 . A A . 16 ASN HB3 1 1 1 268 1 1 16 ASN HD21 H 8.765 4.189 -2.239 1.00 . A A . 16 ASN HD21 1 1 1 269 1 1 16 ASN HD22 H 7.517 3.410 -1.093 1.00 . A A . 16 ASN HD22 1 1 1 270 1 1 16 ASN N N 6.646 -0.526 -0.160 1.00 . A A . 16 ASN N 1 1 1 271 1 1 16 ASN ND2 N 8.291 3.413 -1.766 1.00 . A A . 16 ASN ND2 1 1 1 272 1 1 16 ASN O O 9.326 -0.869 -2.260 1.00 . A A . 16 ASN O 1 1 1 273 1 1 16 ASN OD1 O 9.994 2.024 -2.123 1.00 . A A . 16 ASN OD1 1 1 1 274 1 1 17 GLU C C 8.782 -3.659 -3.314 1.00 . A A . 17 GLU C 1 1 1 275 1 1 17 GLU CA C 7.696 -2.669 -3.843 1.00 . A A . 17 GLU CA 1 1 1 276 1 1 17 GLU CB C 7.930 -2.048 -5.224 1.00 . A A . 17 GLU CB 1 1 1 277 1 1 17 GLU CD C 6.918 -0.778 -7.219 1.00 . A A . 17 GLU CD 1 1 1 278 1 1 17 GLU CG C 6.693 -1.340 -5.816 1.00 . A A . 17 GLU CG 1 1 1 279 1 1 17 GLU H H 6.308 -1.332 -3.036 1.00 . A A . 17 GLU H 1 1 1 280 1 1 17 GLU HA H 6.794 -3.254 -4.029 1.00 . A A . 17 GLU HA 1 1 1 281 1 1 17 GLU HB2 H 8.798 -1.383 -5.175 1.00 . A A . 17 GLU HB2 1 1 1 282 1 1 17 GLU HB3 H 8.188 -2.871 -5.888 1.00 . A A . 17 GLU HB3 1 1 1 283 1 1 17 GLU HE2 H 7.599 0.834 -8.075 1.00 . A A . 17 GLU HE2 1 1 1 284 1 1 17 GLU HG2 H 5.835 -2.034 -5.811 1.00 . A A . 17 GLU HG2 1 1 1 285 1 1 17 GLU HG3 H 6.377 -0.545 -5.124 1.00 . A A . 17 GLU HG3 1 1 1 286 1 1 17 GLU N N 7.271 -1.633 -2.882 1.00 . A A . 17 GLU N 1 1 1 287 1 1 17 GLU O O 9.889 -3.742 -3.856 1.00 . A A . 17 GLU O 1 1 1 288 1 1 17 GLU OE1 O 6.644 -1.395 -8.248 1.00 . A A . 17 GLU OE1 1 1 1 289 1 1 17 GLU OE2 O 7.458 0.483 -7.192 1.00 . A A . 17 GLU OE2 1 1 1 290 1 1 18 HIS C C 10.723 -4.879 -1.169 1.00 . A A . 18 HIS C 1 1 1 291 1 1 18 HIS CA C 9.292 -5.396 -1.545 1.00 . A A . 18 HIS CA 1 1 1 292 1 1 18 HIS CB C 9.229 -6.722 -2.346 1.00 . A A . 18 HIS CB 1 1 1 293 1 1 18 HIS CD2 C 9.759 -9.225 -2.195 1.00 . A A . 18 HIS CD2 1 1 1 294 1 1 18 HIS CE1 C 10.294 -9.378 -0.170 1.00 . A A . 18 HIS CE1 1 1 1 295 1 1 18 HIS CG C 9.699 -7.961 -1.597 1.00 . A A . 18 HIS CG 1 1 1 296 1 1 18 HIS H H 7.449 -4.292 -1.952 1.00 . A A . 18 HIS H 1 1 1 297 1 1 18 HIS HA H 8.788 -5.616 -0.585 1.00 . A A . 18 HIS HA 1 1 1 298 1 1 18 HIS HB2 H 8.189 -6.927 -2.668 1.00 . A A . 18 HIS HB2 1 1 1 299 1 1 18 HIS HB3 H 9.794 -6.609 -3.289 1.00 . A A . 18 HIS HB3 1 1 1 300 1 1 18 HIS HD2 H 9.484 -9.414 -3.222 1.00 . A A . 18 HIS HD2 1 1 1 301 1 1 18 HIS HE1 H 10.595 -9.812 0.773 1.00 . A A . 18 HIS HE1 1 1 1 302 1 1 18 HIS HE2 H 10.279 -11.187 -1.381 1.00 . A A . 18 HIS HE2 1 1 1 303 1 1 18 HIS N N 8.429 -4.390 -2.229 1.00 . A A . 18 HIS N 1 1 1 304 1 1 18 HIS ND1 N 10.036 -8.028 -0.251 1.00 . A A . 18 HIS ND1 1 1 1 305 1 1 18 HIS NE2 N 10.159 -10.174 -1.276 1.00 . A A . 18 HIS NE2 1 1 1 306 1 1 18 HIS O O 11.729 -5.392 -1.669 1.00 . A A . 18 HIS O 1 1 1 307 1 1 19 ALA C C 12.965 -2.671 -0.928 1.00 . A A . 19 ALA C 1 1 1 308 1 1 19 ALA CA C 12.039 -3.220 0.202 1.00 . A A . 19 ALA CA 1 1 1 309 1 1 19 ALA CB C 12.785 -4.138 1.198 1.00 . A A . 19 ALA CB 1 1 1 310 1 1 19 ALA H H 9.864 -3.534 0.046 1.00 . A A . 19 ALA H 1 1 1 311 1 1 19 ALA HA H 11.714 -2.353 0.810 1.00 . A A . 19 ALA HA 1 1 1 312 1 1 19 ALA HB1 H 13.158 -5.063 0.718 1.00 . A A . 19 ALA HB1 1 1 1 313 1 1 19 ALA HB2 H 13.662 -3.628 1.641 1.00 . A A . 19 ALA HB2 1 1 1 314 1 1 19 ALA HB3 H 12.137 -4.444 2.040 1.00 . A A . 19 ALA HB3 1 1 1 315 1 1 19 ALA N N 10.780 -3.856 -0.283 1.00 . A A . 19 ALA N 1 1 1 316 1 1 19 ALA O O 13.872 -3.371 -1.393 1.00 . A A . 19 ALA O 1 1 1 317 1 1 20 HIS C C 14.867 -0.207 -1.846 1.00 . A A . 20 HIS C 1 1 1 318 1 1 20 HIS CA C 13.526 -0.755 -2.420 1.00 . A A . 20 HIS CA 1 1 1 319 1 1 20 HIS CB C 12.666 0.348 -3.087 1.00 . A A . 20 HIS CB 1 1 1 320 1 1 20 HIS CD2 C 12.565 1.841 -5.171 1.00 . A A . 20 HIS CD2 1 1 1 321 1 1 20 HIS CE1 C 14.170 1.055 -6.277 1.00 . A A . 20 HIS CE1 1 1 1 322 1 1 20 HIS CG C 13.182 0.818 -4.440 1.00 . A A . 20 HIS CG 1 1 1 323 1 1 20 HIS H H 11.879 -0.979 -0.998 1.00 . A A . 20 HIS H 1 1 1 324 1 1 20 HIS HXT H 16.814 -0.335 -1.850 1.00 . A A . 20 HIS HXT 1 1 1 325 1 1 20 HIS HA H 13.706 -1.508 -3.201 1.00 . A A . 20 HIS HA 1 1 1 326 1 1 20 HIS HB2 H 11.633 -0.007 -3.257 1.00 . A A . 20 HIS HB2 1 1 1 327 1 1 20 HIS HB3 H 12.560 1.219 -2.412 1.00 . A A . 20 HIS HB3 1 1 1 328 1 1 20 HIS HD2 H 11.688 2.373 -4.833 1.00 . A A . 20 HIS HD2 1 1 1 329 1 1 20 HIS HE1 H 14.869 0.903 -7.086 1.00 . A A . 20 HIS HE1 1 1 1 330 1 1 20 HIS HE2 H 12.994 2.665 -7.151 1.00 . A A . 20 HIS HE2 1 1 1 331 1 1 20 HIS N N 12.732 -1.413 -1.354 1.00 . A A . 20 HIS N 1 1 1 332 1 1 20 HIS ND1 N 14.242 0.267 -5.150 1.00 . A A . 20 HIS ND1 1 1 1 333 1 1 20 HIS NE2 N 13.204 2.021 -6.380 1.00 . A A . 20 HIS NE2 1 1 1 334 1 1 20 HIS O O 14.900 0.705 -1.017 1.00 . A A . 20 HIS O 1 1 1 335 1 1 20 HIS OXT O 16.079 -0.771 -2.288 1.00 . A A . 20 HIS OXT 1 1 2 336 1 1 1 SER C C -8.408 10.199 12.392 1.00 . A A . 1 SER C 1 1 2 337 1 1 1 SER CA C -8.536 11.403 11.394 1.00 . A A . 1 SER CA 1 1 2 338 1 1 1 SER CB C -9.383 12.569 11.929 1.00 . A A . 1 SER CB 1 1 2 339 1 1 1 SER H1 H -9.319 12.035 9.906 1.00 . A A . 1 SER H1 1 1 2 340 1 1 1 SER H2 H -8.465 11.111 9.229 1.00 . A A . 1 SER H2 1 1 2 341 1 1 1 SER H3 H -10.030 10.797 9.969 1.00 . A A . 1 SER H3 1 1 2 342 1 1 1 SER HA H -7.552 11.825 11.276 1.00 . A A . 1 SER HA 1 1 2 343 1 1 1 SER HB2 H -9.570 13.334 11.148 1.00 . A A . 1 SER HB2 1 1 2 344 1 1 1 SER HB3 H -10.359 12.176 12.235 1.00 . A A . 1 SER HB3 1 1 2 345 1 1 1 SER HG H -8.645 12.516 13.704 1.00 . A A . 1 SER HG 1 1 2 346 1 1 1 SER N N -9.060 11.068 10.045 1.00 . A A . 1 SER N 1 1 2 347 1 1 1 SER O O -8.534 10.362 13.610 1.00 . A A . 1 SER O 1 1 2 348 1 1 1 SER OG O -8.755 13.200 13.041 1.00 . A A . 1 SER OG 1 1 2 349 1 1 2 ASP C C -7.270 6.790 11.596 1.00 . A A . 2 ASP C 1 1 2 350 1 1 2 ASP CA C -7.925 7.755 12.622 1.00 . A A . 2 ASP CA 1 1 2 351 1 1 2 ASP CB C -9.243 7.196 13.242 1.00 . A A . 2 ASP CB 1 1 2 352 1 1 2 ASP CG C -8.982 6.151 14.334 1.00 . A A . 2 ASP CG 1 1 2 353 1 1 2 ASP H H -7.915 9.038 10.863 1.00 . A A . 2 ASP H 1 1 2 354 1 1 2 ASP HA H -7.186 7.982 13.421 1.00 . A A . 2 ASP HA 1 1 2 355 1 1 2 ASP HB2 H -9.880 8.009 13.648 1.00 . A A . 2 ASP HB2 1 1 2 356 1 1 2 ASP HB3 H -9.879 6.745 12.458 1.00 . A A . 2 ASP HB3 1 1 2 357 1 1 2 ASP HD2 H -9.154 7.646 15.570 1.00 . A A . 2 ASP HD2 1 1 2 358 1 1 2 ASP N N -8.131 8.999 11.859 1.00 . A A . 2 ASP N 1 1 2 359 1 1 2 ASP O O -7.945 6.009 10.910 1.00 . A A . 2 ASP O 1 1 2 360 1 1 2 ASP OD1 O -8.781 4.960 14.099 1.00 . A A . 2 ASP OD1 1 1 2 361 1 1 2 ASP OD2 O -8.985 6.701 15.591 1.00 . A A . 2 ASP OD2 1 1 2 362 1 1 3 THR C C -5.253 4.460 10.705 1.00 . A A . 3 THR C 1 1 2 363 1 1 3 THR CA C -5.109 6.019 10.620 1.00 . A A . 3 THR CA 1 1 2 364 1 1 3 THR CB C -3.657 6.553 10.707 1.00 . A A . 3 THR CB 1 1 2 365 1 1 3 THR CG2 C -2.936 6.372 9.380 1.00 . A A . 3 THR CG2 1 1 2 366 1 1 3 THR H H -5.475 7.728 11.752 1.00 . A A . 3 THR H 1 1 2 367 1 1 3 THR HA H -5.452 6.281 9.616 1.00 . A A . 3 THR HA 1 1 2 368 1 1 3 THR HB H -3.170 5.997 11.507 1.00 . A A . 3 THR HB 1 1 2 369 1 1 3 THR HG1 H -2.591 8.129 11.045 1.00 . A A . 3 THR HG1 1 1 2 370 1 1 3 THR HG21 H -3.443 6.972 8.599 1.00 . A A . 3 THR HG21 1 1 2 371 1 1 3 THR HG22 H -1.892 6.712 9.458 1.00 . A A . 3 THR HG22 1 1 2 372 1 1 3 THR HG23 H -2.958 5.317 9.066 1.00 . A A . 3 THR HG23 1 1 2 373 1 1 3 THR N N -5.926 6.840 11.525 1.00 . A A . 3 THR N 1 1 2 374 1 1 3 THR O O -4.893 3.784 9.737 1.00 . A A . 3 THR O 1 1 2 375 1 1 3 THR OG1 O -3.533 7.949 11.006 1.00 . A A . 3 THR OG1 1 1 2 376 1 1 4 ARG C C -7.015 1.938 10.890 1.00 . A A . 4 ARG C 1 1 2 377 1 1 4 ARG CA C -6.010 2.427 11.980 1.00 . A A . 4 ARG CA 1 1 2 378 1 1 4 ARG CB C -6.527 2.060 13.403 1.00 . A A . 4 ARG CB 1 1 2 379 1 1 4 ARG CD C -5.614 3.753 15.165 1.00 . A A . 4 ARG CD 1 1 2 380 1 1 4 ARG CG C -5.565 2.306 14.592 1.00 . A A . 4 ARG CG 1 1 2 381 1 1 4 ARG CZ C -4.603 5.001 17.086 1.00 . A A . 4 ARG CZ 1 1 2 382 1 1 4 ARG H H -6.045 4.537 12.562 1.00 . A A . 4 ARG H 1 1 2 383 1 1 4 ARG HA H -5.040 1.941 11.791 1.00 . A A . 4 ARG HA 1 1 2 384 1 1 4 ARG HB2 H -7.504 2.548 13.609 1.00 . A A . 4 ARG HB2 1 1 2 385 1 1 4 ARG HB3 H -6.779 0.982 13.409 1.00 . A A . 4 ARG HB3 1 1 2 386 1 1 4 ARG HD2 H -5.331 4.517 14.408 1.00 . A A . 4 ARG HD2 1 1 2 387 1 1 4 ARG HD3 H -6.649 4.034 15.456 1.00 . A A . 4 ARG HD3 1 1 2 388 1 1 4 ARG HE H -4.160 3.087 16.596 1.00 . A A . 4 ARG HE 1 1 2 389 1 1 4 ARG HG2 H -5.824 1.575 15.388 1.00 . A A . 4 ARG HG2 1 1 2 390 1 1 4 ARG HG3 H -4.535 2.002 14.303 1.00 . A A . 4 ARG HG3 1 1 2 391 1 1 4 ARG HH11 H -5.106 6.906 17.501 1.00 . A A . 4 ARG HH11 1 1 2 392 1 1 4 ARG HH12 H -5.928 6.119 16.062 1.00 . A A . 4 ARG HH12 1 1 2 393 1 1 4 ARG HH21 H -3.253 4.105 18.262 1.00 . A A . 4 ARG HH21 1 1 2 394 1 1 4 ARG HH22 H -3.694 5.840 18.662 1.00 . A A . 4 ARG HH22 1 1 2 395 1 1 4 ARG N N -5.774 3.890 11.821 1.00 . A A . 4 ARG N 1 1 2 396 1 1 4 ARG NE N -4.720 3.887 16.338 1.00 . A A . 4 ARG NE 1 1 2 397 1 1 4 ARG NH1 N -5.284 6.126 16.860 1.00 . A A . 4 ARG NH1 1 1 2 398 1 1 4 ARG NH2 N -3.765 4.980 18.106 1.00 . A A . 4 ARG NH2 1 1 2 399 1 1 4 ARG O O -6.706 1.016 10.133 1.00 . A A . 4 ARG O 1 1 2 400 1 1 5 TYR C C -8.841 2.790 8.361 1.00 . A A . 5 TYR C 1 1 2 401 1 1 5 TYR CA C -9.241 2.335 9.813 1.00 . A A . 5 TYR CA 1 1 2 402 1 1 5 TYR CB C -10.590 2.950 10.235 1.00 . A A . 5 TYR CB 1 1 2 403 1 1 5 TYR CD1 C -11.615 1.254 11.852 1.00 . A A . 5 TYR CD1 1 1 2 404 1 1 5 TYR CD2 C -11.304 3.523 12.616 1.00 . A A . 5 TYR CD2 1 1 2 405 1 1 5 TYR CE1 C -12.150 0.910 13.093 1.00 . A A . 5 TYR CE1 1 1 2 406 1 1 5 TYR CE2 C -11.838 3.179 13.856 1.00 . A A . 5 TYR CE2 1 1 2 407 1 1 5 TYR CG C -11.182 2.562 11.607 1.00 . A A . 5 TYR CG 1 1 2 408 1 1 5 TYR CZ C -12.260 1.873 14.095 1.00 . A A . 5 TYR CZ 1 1 2 409 1 1 5 TYR H H -8.366 3.239 11.589 1.00 . A A . 5 TYR H 1 1 2 410 1 1 5 TYR HA H -9.420 1.264 9.795 1.00 . A A . 5 TYR HA 1 1 2 411 1 1 5 TYR HB2 H -10.523 4.038 10.122 1.00 . A A . 5 TYR HB2 1 1 2 412 1 1 5 TYR HB3 H -11.324 2.664 9.478 1.00 . A A . 5 TYR HB3 1 1 2 413 1 1 5 TYR HD1 H -11.538 0.497 11.085 1.00 . A A . 5 TYR HD1 1 1 2 414 1 1 5 TYR HD2 H -10.986 4.542 12.445 1.00 . A A . 5 TYR HD2 1 1 2 415 1 1 5 TYR HE1 H -12.478 -0.102 13.274 1.00 . A A . 5 TYR HE1 1 1 2 416 1 1 5 TYR HE2 H -11.922 3.929 14.629 1.00 . A A . 5 TYR HE2 1 1 2 417 1 1 5 TYR HH H -12.788 2.311 15.881 1.00 . A A . 5 TYR HH 1 1 2 418 1 1 5 TYR N N -8.188 2.602 10.817 1.00 . A A . 5 TYR N 1 1 2 419 1 1 5 TYR O O -9.335 2.202 7.396 1.00 . A A . 5 TYR O 1 1 2 420 1 1 5 TYR OH O -12.786 1.536 15.316 1.00 . A A . 5 TYR OH 1 1 2 421 1 1 6 ASN C C -6.415 3.400 6.186 1.00 . A A . 6 ASN C 1 1 2 422 1 1 6 ASN CA C -7.482 4.306 6.889 1.00 . A A . 6 ASN CA 1 1 2 423 1 1 6 ASN CB C -6.905 5.753 6.966 1.00 . A A . 6 ASN CB 1 1 2 424 1 1 6 ASN CG C -7.824 6.890 7.467 1.00 . A A . 6 ASN CG 1 1 2 425 1 1 6 ASN H H -7.642 4.239 9.073 1.00 . A A . 6 ASN H 1 1 2 426 1 1 6 ASN HA H -8.357 4.361 6.234 1.00 . A A . 6 ASN HA 1 1 2 427 1 1 6 ASN HB2 H -5.976 5.743 7.567 1.00 . A A . 6 ASN HB2 1 1 2 428 1 1 6 ASN HB3 H -6.551 6.054 5.957 1.00 . A A . 6 ASN HB3 1 1 2 429 1 1 6 ASN HD21 H -9.498 7.942 7.125 1.00 . A A . 6 ASN HD21 1 1 2 430 1 1 6 ASN HD22 H -9.099 6.592 5.946 1.00 . A A . 6 ASN HD22 1 1 2 431 1 1 6 ASN N N -7.974 3.822 8.203 1.00 . A A . 6 ASN N 1 1 2 432 1 1 6 ASN ND2 N -8.918 7.170 6.776 1.00 . A A . 6 ASN ND2 1 1 2 433 1 1 6 ASN O O -6.157 3.640 5.003 1.00 . A A . 6 ASN O 1 1 2 434 1 1 6 ASN OD1 O -7.535 7.555 8.461 1.00 . A A . 6 ASN OD1 1 1 2 435 1 1 7 LYS C C -3.355 2.106 5.992 1.00 . A A . 7 LYS C 1 1 2 436 1 1 7 LYS CA C -4.759 1.501 6.250 1.00 . A A . 7 LYS CA 1 1 2 437 1 1 7 LYS CB C -5.298 0.705 5.023 1.00 . A A . 7 LYS CB 1 1 2 438 1 1 7 LYS CD C -6.729 -1.041 6.355 1.00 . A A . 7 LYS CD 1 1 2 439 1 1 7 LYS CE C -7.818 -0.706 7.387 1.00 . A A . 7 LYS CE 1 1 2 440 1 1 7 LYS CG C -6.648 -0.039 5.177 1.00 . A A . 7 LYS CG 1 1 2 441 1 1 7 LYS H H -6.262 2.114 7.728 1.00 . A A . 7 LYS H 1 1 2 442 1 1 7 LYS HA H -4.514 0.703 6.947 1.00 . A A . 7 LYS HA 1 1 2 443 1 1 7 LYS HB2 H -5.355 1.364 4.136 1.00 . A A . 7 LYS HB2 1 1 2 444 1 1 7 LYS HB3 H -4.539 -0.055 4.774 1.00 . A A . 7 LYS HB3 1 1 2 445 1 1 7 LYS HD2 H -6.910 -2.048 5.946 1.00 . A A . 7 LYS HD2 1 1 2 446 1 1 7 LYS HD3 H -5.757 -1.108 6.878 1.00 . A A . 7 LYS HD3 1 1 2 447 1 1 7 LYS HE2 H -7.608 0.276 7.838 1.00 . A A . 7 LYS HE2 1 1 2 448 1 1 7 LYS HE3 H -8.806 -0.624 6.898 1.00 . A A . 7 LYS HE3 1 1 2 449 1 1 7 LYS HG2 H -7.466 0.706 5.231 1.00 . A A . 7 LYS HG2 1 1 2 450 1 1 7 LYS HG3 H -6.848 -0.582 4.235 1.00 . A A . 7 LYS HG3 1 1 2 451 1 1 7 LYS HZ1 H -7.009 -1.777 8.944 1.00 . A A . 7 LYS HZ1 1 1 2 452 1 1 7 LYS HZ2 H -8.642 -1.474 9.117 1.00 . A A . 7 LYS HZ2 1 1 2 453 1 1 7 LYS HZ3 H -8.150 -2.627 8.069 1.00 . A A . 7 LYS HZ3 1 1 2 454 1 1 7 LYS N N -5.788 2.398 6.863 1.00 . A A . 7 LYS N 1 1 2 455 1 1 7 LYS NZ N -7.893 -1.715 8.460 1.00 . A A . 7 LYS NZ 1 1 2 456 1 1 7 LYS O O -2.458 1.301 5.716 1.00 . A A . 7 LYS O 1 1 2 457 1 1 8 ASP C C -1.252 3.617 4.445 1.00 . A A . 8 ASP C 1 1 2 458 1 1 8 ASP CA C -1.718 4.047 5.889 1.00 . A A . 8 ASP CA 1 1 2 459 1 1 8 ASP CB C -0.852 3.751 7.129 1.00 . A A . 8 ASP CB 1 1 2 460 1 1 8 ASP CG C 0.651 4.039 7.037 1.00 . A A . 8 ASP CG 1 1 2 461 1 1 8 ASP H H -3.771 3.870 6.768 1.00 . A A . 8 ASP H 1 1 2 462 1 1 8 ASP HA H -1.710 5.152 5.873 1.00 . A A . 8 ASP HA 1 1 2 463 1 1 8 ASP HB2 H -1.245 4.353 7.971 1.00 . A A . 8 ASP HB2 1 1 2 464 1 1 8 ASP HB3 H -1.049 2.714 7.417 1.00 . A A . 8 ASP HB3 1 1 2 465 1 1 8 ASP HD2 H 2.334 3.079 6.847 1.00 . A A . 8 ASP HD2 1 1 2 466 1 1 8 ASP N N -3.083 3.437 6.160 1.00 . A A . 8 ASP N 1 1 2 467 1 1 8 ASP O O -0.103 3.231 4.218 1.00 . A A . 8 ASP O 1 1 2 468 1 1 8 ASP OD1 O 1.127 5.174 7.073 1.00 . A A . 8 ASP OD1 1 1 2 469 1 1 8 ASP OD2 O 1.393 2.893 6.906 1.00 . A A . 8 ASP OD2 1 1 2 470 1 1 9 PHE C C -1.662 1.783 1.948 1.00 . A A . 9 PHE C 1 1 2 471 1 1 9 PHE CA C -2.075 3.316 2.067 1.00 . A A . 9 PHE CA 1 1 2 472 1 1 9 PHE CB C -1.178 4.388 1.403 1.00 . A A . 9 PHE CB 1 1 2 473 1 1 9 PHE CD1 C 0.144 4.460 -0.768 1.00 . A A . 9 PHE CD1 1 1 2 474 1 1 9 PHE CD2 C -2.264 4.644 -0.901 1.00 . A A . 9 PHE CD2 1 1 2 475 1 1 9 PHE CE1 C 0.232 4.648 -2.153 1.00 . A A . 9 PHE CE1 1 1 2 476 1 1 9 PHE CE2 C -2.173 4.812 -2.288 1.00 . A A . 9 PHE CE2 1 1 2 477 1 1 9 PHE CG C -1.104 4.458 -0.136 1.00 . A A . 9 PHE CG 1 1 2 478 1 1 9 PHE CZ C -0.927 4.817 -2.904 1.00 . A A . 9 PHE CZ 1 1 2 479 1 1 9 PHE H H -3.113 4.059 3.842 1.00 . A A . 9 PHE H 1 1 2 480 1 1 9 PHE HA H -3.040 3.520 1.572 1.00 . A A . 9 PHE HA 1 1 2 481 1 1 9 PHE HB2 H -1.528 5.377 1.762 1.00 . A A . 9 PHE HB2 1 1 2 482 1 1 9 PHE HB3 H -0.184 4.268 1.838 1.00 . A A . 9 PHE HB3 1 1 2 483 1 1 9 PHE HD1 H 1.036 4.341 -0.158 1.00 . A A . 9 PHE HD1 1 1 2 484 1 1 9 PHE HD2 H -3.222 4.671 -0.391 1.00 . A A . 9 PHE HD2 1 1 2 485 1 1 9 PHE HE1 H 1.178 4.679 -2.682 1.00 . A A . 9 PHE HE1 1 1 2 486 1 1 9 PHE HE2 H -3.045 4.958 -2.919 1.00 . A A . 9 PHE HE2 1 1 2 487 1 1 9 PHE HZ H -0.857 4.958 -3.974 1.00 . A A . 9 PHE HZ 1 1 2 488 1 1 9 PHE N N -2.227 3.682 3.491 1.00 . A A . 9 PHE N 1 1 2 489 1 1 9 PHE O O -0.889 1.491 1.030 1.00 . A A . 9 PHE O 1 1 2 490 1 1 10 ILE C C -0.161 -0.800 2.811 1.00 . A A . 10 ILE C 1 1 2 491 1 1 10 ILE CA C -1.715 -0.650 2.731 1.00 . A A . 10 ILE CA 1 1 2 492 1 1 10 ILE CB C -2.555 -1.309 1.598 1.00 . A A . 10 ILE CB 1 1 2 493 1 1 10 ILE CD1 C -5.000 -0.904 0.827 1.00 . A A . 10 ILE CD1 1 1 2 494 1 1 10 ILE CG1 C -4.067 -1.341 1.955 1.00 . A A . 10 ILE CG1 1 1 2 495 1 1 10 ILE CG2 C -2.086 -2.705 1.122 1.00 . A A . 10 ILE CG2 1 1 2 496 1 1 10 ILE H H -2.995 0.837 3.370 1.00 . A A . 10 ILE H 1 1 2 497 1 1 10 ILE HA H -2.088 -1.151 3.631 1.00 . A A . 10 ILE HA 1 1 2 498 1 1 10 ILE HB H -2.470 -0.617 0.774 1.00 . A A . 10 ILE HB 1 1 2 499 1 1 10 ILE HD11 H -4.780 0.143 0.538 1.00 . A A . 10 ILE HD11 1 1 2 500 1 1 10 ILE HD12 H -4.885 -1.540 -0.065 1.00 . A A . 10 ILE HD12 1 1 2 501 1 1 10 ILE HD13 H -6.050 -0.936 1.160 1.00 . A A . 10 ILE HD13 1 1 2 502 1 1 10 ILE HG12 H -4.314 -2.336 2.329 1.00 . A A . 10 ILE HG12 1 1 2 503 1 1 10 ILE HG13 H -4.294 -0.658 2.786 1.00 . A A . 10 ILE HG13 1 1 2 504 1 1 10 ILE HG21 H -2.057 -3.435 1.952 1.00 . A A . 10 ILE HG21 1 1 2 505 1 1 10 ILE HG22 H -1.076 -2.677 0.673 1.00 . A A . 10 ILE HG22 1 1 2 506 1 1 10 ILE HG23 H -2.753 -3.120 0.344 1.00 . A A . 10 ILE HG23 1 1 2 507 1 1 10 ILE N N -2.109 0.789 2.825 1.00 . A A . 10 ILE N 1 1 2 508 1 1 10 ILE O O 0.499 -1.148 1.827 1.00 . A A . 10 ILE O 1 1 2 509 1 1 11 ASN C C 2.756 0.304 3.282 1.00 . A A . 11 ASN C 1 1 2 510 1 1 11 ASN CA C 1.866 -0.532 4.301 1.00 . A A . 11 ASN CA 1 1 2 511 1 1 11 ASN CB C 2.262 -2.023 4.468 1.00 . A A . 11 ASN CB 1 1 2 512 1 1 11 ASN CG C 3.589 -2.301 5.202 1.00 . A A . 11 ASN CG 1 1 2 513 1 1 11 ASN H H -0.271 -0.364 4.770 1.00 . A A . 11 ASN H 1 1 2 514 1 1 11 ASN HA H 2.030 -0.159 5.329 1.00 . A A . 11 ASN HA 1 1 2 515 1 1 11 ASN HB2 H 1.453 -2.585 4.979 1.00 . A A . 11 ASN HB2 1 1 2 516 1 1 11 ASN HB3 H 2.300 -2.452 3.466 1.00 . A A . 11 ASN HB3 1 1 2 517 1 1 11 ASN HD21 H 4.444 -2.631 6.988 1.00 . A A . 11 ASN HD21 1 1 2 518 1 1 11 ASN HD22 H 2.628 -2.362 6.957 1.00 . A A . 11 ASN HD22 1 1 2 519 1 1 11 ASN N N 0.402 -0.473 4.007 1.00 . A A . 11 ASN N 1 1 2 520 1 1 11 ASN ND2 N 3.551 -2.451 6.517 1.00 . A A . 11 ASN ND2 1 1 2 521 1 1 11 ASN O O 3.932 -0.032 3.119 1.00 . A A . 11 ASN O 1 1 2 522 1 1 11 ASN OD1 O 4.655 -2.380 4.596 1.00 . A A . 11 ASN OD1 1 1 2 523 1 1 12 ASN C C 3.479 1.339 0.412 1.00 . A A . 12 ASN C 1 1 2 524 1 1 12 ASN CA C 3.034 2.210 1.632 1.00 . A A . 12 ASN CA 1 1 2 525 1 1 12 ASN CB C 4.080 3.090 2.341 1.00 . A A . 12 ASN CB 1 1 2 526 1 1 12 ASN CG C 4.860 4.076 1.461 1.00 . A A . 12 ASN CG 1 1 2 527 1 1 12 ASN H H 1.276 1.673 2.730 1.00 . A A . 12 ASN H 1 1 2 528 1 1 12 ASN HA H 2.350 2.954 1.231 1.00 . A A . 12 ASN HA 1 1 2 529 1 1 12 ASN HB2 H 3.581 3.623 3.180 1.00 . A A . 12 ASN HB2 1 1 2 530 1 1 12 ASN HB3 H 4.782 2.466 2.852 1.00 . A A . 12 ASN HB3 1 1 2 531 1 1 12 ASN HD21 H 4.930 6.066 1.149 1.00 . A A . 12 ASN HD21 1 1 2 532 1 1 12 ASN HD22 H 3.682 5.264 2.274 1.00 . A A . 12 ASN HD22 1 1 2 533 1 1 12 ASN N N 2.257 1.397 2.610 1.00 . A A . 12 ASN N 1 1 2 534 1 1 12 ASN ND2 N 4.376 5.287 1.520 1.00 . A A . 12 ASN ND2 1 1 2 535 1 1 12 ASN O O 4.670 1.192 0.150 1.00 . A A . 12 ASN O 1 1 2 536 1 1 12 ASN OD1 O 5.853 3.779 0.799 1.00 . A A . 12 ASN OD1 1 1 2 537 1 1 13 LYS C C 3.494 -1.415 -1.206 1.00 . A A . 13 LYS C 1 1 2 538 1 1 13 LYS CA C 2.712 -0.100 -1.515 1.00 . A A . 13 LYS CA 1 1 2 539 1 1 13 LYS CB C 3.257 0.689 -2.746 1.00 . A A . 13 LYS CB 1 1 2 540 1 1 13 LYS CD C 0.973 1.441 -3.827 1.00 . A A . 13 LYS CD 1 1 2 541 1 1 13 LYS CE C 0.976 0.510 -5.055 1.00 . A A . 13 LYS CE 1 1 2 542 1 1 13 LYS CG C 2.373 1.830 -3.304 1.00 . A A . 13 LYS CG 1 1 2 543 1 1 13 LYS H H 1.544 0.956 0.020 1.00 . A A . 13 LYS H 1 1 2 544 1 1 13 LYS HA H 1.722 -0.464 -1.794 1.00 . A A . 13 LYS HA 1 1 2 545 1 1 13 LYS HB2 H 4.248 1.110 -2.492 1.00 . A A . 13 LYS HB2 1 1 2 546 1 1 13 LYS HB3 H 3.456 -0.017 -3.571 1.00 . A A . 13 LYS HB3 1 1 2 547 1 1 13 LYS HD2 H 0.382 0.993 -3.005 1.00 . A A . 13 LYS HD2 1 1 2 548 1 1 13 LYS HD3 H 0.439 2.375 -4.086 1.00 . A A . 13 LYS HD3 1 1 2 549 1 1 13 LYS HE2 H 1.563 0.959 -5.877 1.00 . A A . 13 LYS HE2 1 1 2 550 1 1 13 LYS HE3 H 1.464 -0.453 -4.813 1.00 . A A . 13 LYS HE3 1 1 2 551 1 1 13 LYS HG2 H 2.258 2.593 -2.515 1.00 . A A . 13 LYS HG2 1 1 2 552 1 1 13 LYS HG3 H 2.927 2.346 -4.110 1.00 . A A . 13 LYS HG3 1 1 2 553 1 1 13 LYS HZ1 H -0.937 -0.201 -4.806 1.00 . A A . 13 LYS HZ1 1 1 2 554 1 1 13 LYS HZ2 H -0.363 -0.351 -6.369 1.00 . A A . 13 LYS HZ2 1 1 2 555 1 1 13 LYS HZ3 H -0.840 1.116 -5.829 1.00 . A A . 13 LYS HZ3 1 1 2 556 1 1 13 LYS N N 2.493 0.773 -0.323 1.00 . A A . 13 LYS N 1 1 2 557 1 1 13 LYS NZ N -0.392 0.243 -5.532 1.00 . A A . 13 LYS NZ 1 1 2 558 1 1 13 LYS O O 4.393 -1.799 -1.960 1.00 . A A . 13 LYS O 1 1 2 559 1 1 14 HIS C C 5.293 -3.199 0.491 1.00 . A A . 14 HIS C 1 1 2 560 1 1 14 HIS CA C 3.756 -3.416 0.327 1.00 . A A . 14 HIS CA 1 1 2 561 1 1 14 HIS CB C 3.366 -4.642 -0.551 1.00 . A A . 14 HIS CB 1 1 2 562 1 1 14 HIS CD2 C 1.240 -5.738 0.497 1.00 . A A . 14 HIS CD2 1 1 2 563 1 1 14 HIS CE1 C -0.152 -5.266 -1.008 1.00 . A A . 14 HIS CE1 1 1 2 564 1 1 14 HIS CG C 1.878 -5.016 -0.529 1.00 . A A . 14 HIS CG 1 1 2 565 1 1 14 HIS H H 2.342 -1.712 0.414 1.00 . A A . 14 HIS H 1 1 2 566 1 1 14 HIS HA H 3.370 -3.621 1.338 1.00 . A A . 14 HIS HA 1 1 2 567 1 1 14 HIS HB2 H 3.696 -4.478 -1.595 1.00 . A A . 14 HIS HB2 1 1 2 568 1 1 14 HIS HB3 H 3.944 -5.524 -0.217 1.00 . A A . 14 HIS HB3 1 1 2 569 1 1 14 HIS HD2 H 1.720 -6.108 1.392 1.00 . A A . 14 HIS HD2 1 1 2 570 1 1 14 HIS HE1 H -1.089 -5.206 -1.542 1.00 . A A . 14 HIS HE1 1 1 2 571 1 1 14 HIS HE2 H -0.834 -6.386 0.728 1.00 . A A . 14 HIS HE2 1 1 2 572 1 1 14 HIS N N 3.108 -2.138 -0.120 1.00 . A A . 14 HIS N 1 1 2 573 1 1 14 HIS ND1 N 0.977 -4.692 -1.539 1.00 . A A . 14 HIS ND1 1 1 2 574 1 1 14 HIS NE2 N -0.096 -5.912 0.198 1.00 . A A . 14 HIS NE2 1 1 2 575 1 1 14 HIS O O 6.102 -3.794 -0.229 1.00 . A A . 14 HIS O 1 1 2 576 1 1 15 LEU C C 7.759 -1.274 0.478 1.00 . A A . 15 LEU C 1 1 2 577 1 1 15 LEU CA C 7.084 -1.945 1.736 1.00 . A A . 15 LEU CA 1 1 2 578 1 1 15 LEU CB C 7.932 -3.111 2.342 1.00 . A A . 15 LEU CB 1 1 2 579 1 1 15 LEU CD1 C 6.379 -4.894 3.428 1.00 . A A . 15 LEU CD1 1 1 2 580 1 1 15 LEU CD2 C 8.715 -4.577 4.248 1.00 . A A . 15 LEU CD2 1 1 2 581 1 1 15 LEU CG C 7.486 -3.822 3.665 1.00 . A A . 15 LEU CG 1 1 2 582 1 1 15 LEU H H 4.915 -1.923 2.017 1.00 . A A . 15 LEU H 1 1 2 583 1 1 15 LEU HA H 7.044 -1.129 2.475 1.00 . A A . 15 LEU HA 1 1 2 584 1 1 15 LEU HB2 H 8.098 -3.874 1.557 1.00 . A A . 15 LEU HB2 1 1 2 585 1 1 15 LEU HB3 H 8.938 -2.684 2.511 1.00 . A A . 15 LEU HB3 1 1 2 586 1 1 15 LEU HD11 H 6.667 -5.644 2.661 1.00 . A A . 15 LEU HD11 1 1 2 587 1 1 15 LEU HD12 H 6.138 -5.473 4.340 1.00 . A A . 15 LEU HD12 1 1 2 588 1 1 15 LEU HD13 H 5.418 -4.471 3.087 1.00 . A A . 15 LEU HD13 1 1 2 589 1 1 15 LEU HD21 H 9.564 -3.903 4.472 1.00 . A A . 15 LEU HD21 1 1 2 590 1 1 15 LEU HD22 H 8.485 -5.113 5.188 1.00 . A A . 15 LEU HD22 1 1 2 591 1 1 15 LEU HD23 H 9.112 -5.343 3.549 1.00 . A A . 15 LEU HD23 1 1 2 592 1 1 15 LEU HG H 7.136 -3.041 4.406 1.00 . A A . 15 LEU HG 1 1 2 593 1 1 15 LEU N N 5.671 -2.310 1.444 1.00 . A A . 15 LEU N 1 1 2 594 1 1 15 LEU O O 8.951 -1.486 0.230 1.00 . A A . 15 LEU O 1 1 2 595 1 1 16 ASN C C 8.132 -0.764 -2.538 1.00 . A A . 16 ASN C 1 1 2 596 1 1 16 ASN CA C 7.496 0.253 -1.535 1.00 . A A . 16 ASN CA 1 1 2 597 1 1 16 ASN CB C 8.292 1.500 -1.133 1.00 . A A . 16 ASN CB 1 1 2 598 1 1 16 ASN CG C 8.649 2.469 -2.263 1.00 . A A . 16 ASN CG 1 1 2 599 1 1 16 ASN H H 6.035 -0.272 -0.009 1.00 . A A . 16 ASN H 1 1 2 600 1 1 16 ASN HA H 6.618 0.693 -2.020 1.00 . A A . 16 ASN HA 1 1 2 601 1 1 16 ASN HB2 H 7.732 2.018 -0.323 1.00 . A A . 16 ASN HB2 1 1 2 602 1 1 16 ASN HB3 H 9.200 1.208 -0.648 1.00 . A A . 16 ASN HB3 1 1 2 603 1 1 16 ASN HD21 H 8.110 4.317 -2.875 1.00 . A A . 16 ASN HD21 1 1 2 604 1 1 16 ASN HD22 H 7.273 3.436 -1.462 1.00 . A A . 16 ASN HD22 1 1 2 605 1 1 16 ASN N N 7.008 -0.442 -0.307 1.00 . A A . 16 ASN N 1 1 2 606 1 1 16 ASN ND2 N 7.855 3.504 -2.302 1.00 . A A . 16 ASN ND2 1 1 2 607 1 1 16 ASN O O 9.321 -0.692 -2.860 1.00 . A A . 16 ASN O 1 1 2 608 1 1 16 ASN OD1 O 9.600 2.316 -3.031 1.00 . A A . 16 ASN OD1 1 1 2 609 1 1 17 GLU C C 8.870 -3.702 -3.394 1.00 . A A . 17 GLU C 1 1 2 610 1 1 17 GLU CA C 7.674 -2.832 -3.891 1.00 . A A . 17 GLU CA 1 1 2 611 1 1 17 GLU CB C 7.703 -2.336 -5.339 1.00 . A A . 17 GLU CB 1 1 2 612 1 1 17 GLU CD C 6.384 -1.278 -7.277 1.00 . A A . 17 GLU CD 1 1 2 613 1 1 17 GLU CG C 6.370 -1.724 -5.815 1.00 . A A . 17 GLU CG 1 1 2 614 1 1 17 GLU H H 6.305 -1.572 -2.960 1.00 . A A . 17 GLU H 1 1 2 615 1 1 17 GLU HA H 6.793 -3.475 -3.917 1.00 . A A . 17 GLU HA 1 1 2 616 1 1 17 GLU HB2 H 8.542 -1.646 -5.469 1.00 . A A . 17 GLU HB2 1 1 2 617 1 1 17 GLU HB3 H 7.901 -3.215 -5.947 1.00 . A A . 17 GLU HB3 1 1 2 618 1 1 17 GLU HE2 H 6.042 -2.006 -9.049 1.00 . A A . 17 GLU HE2 1 1 2 619 1 1 17 GLU HG2 H 5.546 -2.436 -5.625 1.00 . A A . 17 GLU HG2 1 1 2 620 1 1 17 GLU HG3 H 6.123 -0.876 -5.162 1.00 . A A . 17 GLU HG3 1 1 2 621 1 1 17 GLU N N 7.310 -1.754 -2.960 1.00 . A A . 17 GLU N 1 1 2 622 1 1 17 GLU O O 9.948 -3.706 -3.997 1.00 . A A . 17 GLU O 1 1 2 623 1 1 17 GLU OE1 O 6.682 -0.139 -7.633 1.00 . A A . 17 GLU OE1 1 1 2 624 1 1 17 GLU OE2 O 6.031 -2.290 -8.131 1.00 . A A . 17 GLU OE2 1 1 2 625 1 1 18 HIS C C 10.929 -4.598 -1.141 1.00 . A A . 18 HIS C 1 1 2 626 1 1 18 HIS CA C 9.620 -5.317 -1.595 1.00 . A A . 18 HIS CA 1 1 2 627 1 1 18 HIS CB C 9.802 -6.589 -2.453 1.00 . A A . 18 HIS CB 1 1 2 628 1 1 18 HIS CD2 C 10.737 -8.972 -2.407 1.00 . A A . 18 HIS CD2 1 1 2 629 1 1 18 HIS CE1 C 11.322 -9.113 -0.395 1.00 . A A . 18 HIS CE1 1 1 2 630 1 1 18 HIS CG C 10.471 -7.764 -1.755 1.00 . A A . 18 HIS CG 1 1 2 631 1 1 18 HIS H H 7.676 -4.431 -1.948 1.00 . A A . 18 HIS H 1 1 2 632 1 1 18 HIS HA H 9.103 -5.677 -0.683 1.00 . A A . 18 HIS HA 1 1 2 633 1 1 18 HIS HB2 H 8.807 -6.938 -2.793 1.00 . A A . 18 HIS HB2 1 1 2 634 1 1 18 HIS HB3 H 10.342 -6.337 -3.381 1.00 . A A . 18 HIS HB3 1 1 2 635 1 1 18 HIS HD2 H 10.488 -9.159 -3.440 1.00 . A A . 18 HIS HD2 1 1 2 636 1 1 18 HIS HE1 H 11.709 -9.526 0.526 1.00 . A A . 18 HIS HE1 1 1 2 637 1 1 18 HIS HE2 H 11.599 -10.847 -1.681 1.00 . A A . 18 HIS HE2 1 1 2 638 1 1 18 HIS N N 8.648 -4.411 -2.258 1.00 . A A . 18 HIS N 1 1 2 639 1 1 18 HIS ND1 N 10.836 -7.827 -0.416 1.00 . A A . 18 HIS ND1 1 1 2 640 1 1 18 HIS NE2 N 11.306 -9.876 -1.532 1.00 . A A . 18 HIS NE2 1 1 2 641 1 1 18 HIS O O 11.880 -4.473 -1.918 1.00 . A A . 18 HIS O 1 1 2 642 1 1 19 ALA C C 12.358 -2.044 0.246 1.00 . A A . 19 ALA C 1 1 2 643 1 1 19 ALA CA C 12.100 -3.478 0.791 1.00 . A A . 19 ALA CA 1 1 2 644 1 1 19 ALA CB C 13.389 -4.329 0.821 1.00 . A A . 19 ALA CB 1 1 2 645 1 1 19 ALA H H 10.055 -4.270 0.630 1.00 . A A . 19 ALA H 1 1 2 646 1 1 19 ALA HA H 11.799 -3.395 1.854 1.00 . A A . 19 ALA HA 1 1 2 647 1 1 19 ALA HB1 H 14.171 -3.855 1.444 1.00 . A A . 19 ALA HB1 1 1 2 648 1 1 19 ALA HB2 H 13.825 -4.477 -0.185 1.00 . A A . 19 ALA HB2 1 1 2 649 1 1 19 ALA HB3 H 13.206 -5.332 1.250 1.00 . A A . 19 ALA HB3 1 1 2 650 1 1 19 ALA N N 10.944 -4.150 0.133 1.00 . A A . 19 ALA N 1 1 2 651 1 1 19 ALA O O 12.863 -1.874 -0.869 1.00 . A A . 19 ALA O 1 1 2 652 1 1 20 HIS C C 13.714 0.817 0.916 1.00 . A A . 20 HIS C 1 1 2 653 1 1 20 HIS CA C 12.226 0.404 0.712 1.00 . A A . 20 HIS CA 1 1 2 654 1 1 20 HIS CB C 11.245 1.263 1.552 1.00 . A A . 20 HIS CB 1 1 2 655 1 1 20 HIS CD2 C 10.218 3.611 1.680 1.00 . A A . 20 HIS CD2 1 1 2 656 1 1 20 HIS CE1 C 11.009 4.465 -0.069 1.00 . A A . 20 HIS CE1 1 1 2 657 1 1 20 HIS CG C 11.059 2.688 1.047 1.00 . A A . 20 HIS CG 1 1 2 658 1 1 20 HIS H H 11.472 -1.292 1.875 1.00 . A A . 20 HIS H 1 1 2 659 1 1 20 HIS HXT H 15.373 1.398 0.071 1.00 . A A . 20 HIS HXT 1 1 2 660 1 1 20 HIS HA H 11.916 0.526 -0.339 1.00 . A A . 20 HIS HA 1 1 2 661 1 1 20 HIS HB2 H 10.239 0.800 1.566 1.00 . A A . 20 HIS HB2 1 1 2 662 1 1 20 HIS HB3 H 11.557 1.293 2.613 1.00 . A A . 20 HIS HB3 1 1 2 663 1 1 20 HIS HD2 H 9.659 3.393 2.578 1.00 . A A . 20 HIS HD2 1 1 2 664 1 1 20 HIS HE1 H 11.197 5.181 -0.856 1.00 . A A . 20 HIS HE1 1 1 2 665 1 1 20 HIS HE2 H 9.641 5.651 1.140 1.00 . A A . 20 HIS HE2 1 1 2 666 1 1 20 HIS N N 12.032 -1.023 1.063 1.00 . A A . 20 HIS N 1 1 2 667 1 1 20 HIS ND1 N 11.593 3.221 -0.121 1.00 . A A . 20 HIS ND1 1 1 2 668 1 1 20 HIS NE2 N 10.175 4.792 0.967 1.00 . A A . 20 HIS NE2 1 1 2 669 1 1 20 HIS O O 14.239 0.844 2.031 1.00 . A A . 20 HIS O 1 1 2 670 1 1 20 HIS OXT O 14.484 1.169 -0.209 1.00 . A A . 20 HIS OXT 1 1 3 671 1 1 1 SER C C -2.956 1.012 14.193 1.00 . A A . 1 SER C 1 1 3 672 1 1 1 SER CA C -3.595 1.335 15.586 1.00 . A A . 1 SER CA 1 1 3 673 1 1 1 SER CB C -3.015 0.524 16.755 1.00 . A A . 1 SER CB 1 1 3 674 1 1 1 SER H1 H -5.116 1.325 14.639 1.00 . A A . 1 SER H1 1 1 3 675 1 1 1 SER H2 H -5.669 1.964 15.789 1.00 . A A . 1 SER H2 1 1 3 676 1 1 1 SER H3 H -5.451 0.245 15.511 1.00 . A A . 1 SER H3 1 1 3 677 1 1 1 SER HA H -3.356 2.360 15.827 1.00 . A A . 1 SER HA 1 1 3 678 1 1 1 SER HB2 H -3.617 0.652 17.675 1.00 . A A . 1 SER HB2 1 1 3 679 1 1 1 SER HB3 H -3.053 -0.537 16.491 1.00 . A A . 1 SER HB3 1 1 3 680 1 1 1 SER HG H -1.696 1.830 17.263 1.00 . A A . 1 SER HG 1 1 3 681 1 1 1 SER N N -5.065 1.170 15.635 1.00 . A A . 1 SER N 1 1 3 682 1 1 1 SER O O -1.879 0.411 14.117 1.00 . A A . 1 SER O 1 1 3 683 1 1 1 SER OG O -1.669 0.900 17.025 1.00 . A A . 1 SER OG 1 1 3 684 1 1 2 ASP C C -3.018 -0.146 11.033 1.00 . A A . 2 ASP C 1 1 3 685 1 1 2 ASP CA C -3.172 1.297 11.666 1.00 . A A . 2 ASP CA 1 1 3 686 1 1 2 ASP CB C -1.899 2.204 11.524 1.00 . A A . 2 ASP CB 1 1 3 687 1 1 2 ASP CG C -1.415 2.575 10.122 1.00 . A A . 2 ASP CG 1 1 3 688 1 1 2 ASP H H -4.517 1.866 13.323 1.00 . A A . 2 ASP H 1 1 3 689 1 1 2 ASP HA H -4.025 1.710 11.106 1.00 . A A . 2 ASP HA 1 1 3 690 1 1 2 ASP HB2 H -1.998 3.170 12.072 1.00 . A A . 2 ASP HB2 1 1 3 691 1 1 2 ASP HB3 H -1.089 1.700 12.069 1.00 . A A . 2 ASP HB3 1 1 3 692 1 1 2 ASP HD2 H -0.296 1.859 8.699 1.00 . A A . 2 ASP HD2 1 1 3 693 1 1 2 ASP N N -3.616 1.454 13.093 1.00 . A A . 2 ASP N 1 1 3 694 1 1 2 ASP O O -2.744 -0.329 9.828 1.00 . A A . 2 ASP O 1 1 3 695 1 1 2 ASP OD1 O -1.714 3.632 9.568 1.00 . A A . 2 ASP OD1 1 1 3 696 1 1 2 ASP OD2 O -0.602 1.614 9.575 1.00 . A A . 2 ASP OD2 1 1 3 697 1 1 3 THR C C -1.879 -3.164 10.950 1.00 . A A . 3 THR C 1 1 3 698 1 1 3 THR CA C -3.219 -2.612 11.565 1.00 . A A . 3 THR CA 1 1 3 699 1 1 3 THR CB C -4.554 -3.126 10.944 1.00 . A A . 3 THR CB 1 1 3 700 1 1 3 THR CG2 C -4.864 -2.640 9.531 1.00 . A A . 3 THR CG2 1 1 3 701 1 1 3 THR H H -3.953 -0.808 12.566 1.00 . A A . 3 THR H 1 1 3 702 1 1 3 THR HA H -3.225 -3.059 12.558 1.00 . A A . 3 THR HA 1 1 3 703 1 1 3 THR HB H -5.389 -2.795 11.592 1.00 . A A . 3 THR HB 1 1 3 704 1 1 3 THR HG1 H -4.454 -4.819 11.854 1.00 . A A . 3 THR HG1 1 1 3 705 1 1 3 THR HG21 H -4.046 -2.907 8.843 1.00 . A A . 3 THR HG21 1 1 3 706 1 1 3 THR HG22 H -5.802 -3.081 9.158 1.00 . A A . 3 THR HG22 1 1 3 707 1 1 3 THR HG23 H -4.988 -1.546 9.509 1.00 . A A . 3 THR HG23 1 1 3 708 1 1 3 THR N N -3.290 -1.158 11.871 1.00 . A A . 3 THR N 1 1 3 709 1 1 3 THR O O -1.788 -4.370 10.700 1.00 . A A . 3 THR O 1 1 3 710 1 1 3 THR OG1 O -4.583 -4.550 10.942 1.00 . A A . 3 THR OG1 1 1 3 711 1 1 4 ARG C C 0.464 -3.481 8.858 1.00 . A A . 4 ARG C 1 1 3 712 1 1 4 ARG CA C 0.509 -2.678 10.204 1.00 . A A . 4 ARG CA 1 1 3 713 1 1 4 ARG CB C 1.424 -3.345 11.279 1.00 . A A . 4 ARG CB 1 1 3 714 1 1 4 ARG CD C 0.817 -2.451 13.671 1.00 . A A . 4 ARG CD 1 1 3 715 1 1 4 ARG CG C 1.831 -2.459 12.486 1.00 . A A . 4 ARG CG 1 1 3 716 1 1 4 ARG CZ C 0.750 -1.540 16.004 1.00 . A A . 4 ARG CZ 1 1 3 717 1 1 4 ARG H H -1.026 -1.347 11.021 1.00 . A A . 4 ARG H 1 1 3 718 1 1 4 ARG HA H 0.957 -1.697 9.917 1.00 . A A . 4 ARG HA 1 1 3 719 1 1 4 ARG HB2 H 0.987 -4.300 11.636 1.00 . A A . 4 ARG HB2 1 1 3 720 1 1 4 ARG HB3 H 2.364 -3.662 10.787 1.00 . A A . 4 ARG HB3 1 1 3 721 1 1 4 ARG HD2 H -0.173 -2.046 13.377 1.00 . A A . 4 ARG HD2 1 1 3 722 1 1 4 ARG HD3 H 0.596 -3.484 14.015 1.00 . A A . 4 ARG HD3 1 1 3 723 1 1 4 ARG HE H 2.212 -1.151 14.657 1.00 . A A . 4 ARG HE 1 1 3 724 1 1 4 ARG HG2 H 2.821 -2.816 12.837 1.00 . A A . 4 ARG HG2 1 1 3 725 1 1 4 ARG HG3 H 2.050 -1.431 12.124 1.00 . A A . 4 ARG HG3 1 1 3 726 1 1 4 ARG HH11 H -0.742 -1.985 17.277 1.00 . A A . 4 ARG HH11 1 1 3 727 1 1 4 ARG HH12 H -0.825 -2.726 15.601 1.00 . A A . 4 ARG HH12 1 1 3 728 1 1 4 ARG HH21 H 2.212 -0.331 16.645 1.00 . A A . 4 ARG HH21 1 1 3 729 1 1 4 ARG HH22 H 0.863 -0.719 17.826 1.00 . A A . 4 ARG HH22 1 1 3 730 1 1 4 ARG N N -0.824 -2.320 10.782 1.00 . A A . 4 ARG N 1 1 3 731 1 1 4 ARG NE N 1.346 -1.650 14.800 1.00 . A A . 4 ARG NE 1 1 3 732 1 1 4 ARG NH1 N -0.390 -2.146 16.328 1.00 . A A . 4 ARG NH1 1 1 3 733 1 1 4 ARG NH2 N 1.335 -0.787 16.918 1.00 . A A . 4 ARG NH2 1 1 3 734 1 1 4 ARG O O 1.371 -4.254 8.543 1.00 . A A . 4 ARG O 1 1 3 735 1 1 5 TYR C C -1.994 -3.151 5.963 1.00 . A A . 5 TYR C 1 1 3 736 1 1 5 TYR CA C -0.878 -3.873 6.775 1.00 . A A . 5 TYR CA 1 1 3 737 1 1 5 TYR CB C -1.180 -5.390 6.944 1.00 . A A . 5 TYR CB 1 1 3 738 1 1 5 TYR CD1 C -0.073 -6.577 4.976 1.00 . A A . 5 TYR CD1 1 1 3 739 1 1 5 TYR CD2 C -2.479 -6.678 5.165 1.00 . A A . 5 TYR CD2 1 1 3 740 1 1 5 TYR CE1 C -0.135 -7.324 3.800 1.00 . A A . 5 TYR CE1 1 1 3 741 1 1 5 TYR CE2 C -2.540 -7.423 3.990 1.00 . A A . 5 TYR CE2 1 1 3 742 1 1 5 TYR CG C -1.245 -6.245 5.664 1.00 . A A . 5 TYR CG 1 1 3 743 1 1 5 TYR CZ C -1.369 -7.747 3.309 1.00 . A A . 5 TYR CZ 1 1 3 744 1 1 5 TYR H H -1.253 -2.544 8.451 1.00 . A A . 5 TYR H 1 1 3 745 1 1 5 TYR HA H 0.029 -3.790 6.197 1.00 . A A . 5 TYR HA 1 1 3 746 1 1 5 TYR HB2 H -0.442 -5.858 7.623 1.00 . A A . 5 TYR HB2 1 1 3 747 1 1 5 TYR HB3 H -2.122 -5.445 7.496 1.00 . A A . 5 TYR HB3 1 1 3 748 1 1 5 TYR HD1 H 0.890 -6.250 5.342 1.00 . A A . 5 TYR HD1 1 1 3 749 1 1 5 TYR HD2 H -3.397 -6.428 5.678 1.00 . A A . 5 TYR HD2 1 1 3 750 1 1 5 TYR HE1 H 0.775 -7.572 3.273 1.00 . A A . 5 TYR HE1 1 1 3 751 1 1 5 TYR HE2 H -3.498 -7.746 3.609 1.00 . A A . 5 TYR HE2 1 1 3 752 1 1 5 TYR HH H -0.540 -8.606 1.812 1.00 . A A . 5 TYR HH 1 1 3 753 1 1 5 TYR N N -0.605 -3.239 8.071 1.00 . A A . 5 TYR N 1 1 3 754 1 1 5 TYR O O -2.033 -3.446 4.764 1.00 . A A . 5 TYR O 1 1 3 755 1 1 5 TYR OH O -1.430 -8.477 2.148 1.00 . A A . 5 TYR OH 1 1 3 756 1 1 6 ASN C C -4.141 -0.103 5.771 1.00 . A A . 6 ASN C 1 1 3 757 1 1 6 ASN CA C -3.926 -1.616 5.652 1.00 . A A . 6 ASN CA 1 1 3 758 1 1 6 ASN CB C -5.350 -2.231 5.687 1.00 . A A . 6 ASN CB 1 1 3 759 1 1 6 ASN CG C -5.468 -3.767 5.602 1.00 . A A . 6 ASN CG 1 1 3 760 1 1 6 ASN H H -2.676 -1.872 7.442 1.00 . A A . 6 ASN H 1 1 3 761 1 1 6 ASN HA H -3.629 -1.775 4.630 1.00 . A A . 6 ASN HA 1 1 3 762 1 1 6 ASN HB2 H -5.882 -1.853 6.577 1.00 . A A . 6 ASN HB2 1 1 3 763 1 1 6 ASN HB3 H -5.907 -1.774 4.834 1.00 . A A . 6 ASN HB3 1 1 3 764 1 1 6 ASN HD21 H -5.550 -5.349 4.370 1.00 . A A . 6 ASN HD21 1 1 3 765 1 1 6 ASN HD22 H -5.398 -3.689 3.599 1.00 . A A . 6 ASN HD22 1 1 3 766 1 1 6 ASN N N -2.881 -2.258 6.504 1.00 . A A . 6 ASN N 1 1 3 767 1 1 6 ASN ND2 N -5.477 -4.326 4.401 1.00 . A A . 6 ASN ND2 1 1 3 768 1 1 6 ASN O O -4.498 0.507 4.754 1.00 . A A . 6 ASN O 1 1 3 769 1 1 6 ASN OD1 O -5.539 -4.460 6.616 1.00 . A A . 6 ASN OD1 1 1 3 770 1 1 7 LYS C C -3.164 3.051 6.561 1.00 . A A . 7 LYS C 1 1 3 771 1 1 7 LYS CA C -4.183 1.990 7.042 1.00 . A A . 7 LYS CA 1 1 3 772 1 1 7 LYS CB C -4.687 2.317 8.452 1.00 . A A . 7 LYS CB 1 1 3 773 1 1 7 LYS CD C -7.216 1.643 8.105 1.00 . A A . 7 LYS CD 1 1 3 774 1 1 7 LYS CE C -7.816 3.046 7.899 1.00 . A A . 7 LYS CE 1 1 3 775 1 1 7 LYS CG C -5.956 1.611 8.996 1.00 . A A . 7 LYS CG 1 1 3 776 1 1 7 LYS H H -3.811 -0.087 7.750 1.00 . A A . 7 LYS H 1 1 3 777 1 1 7 LYS HA H -5.014 2.143 6.338 1.00 . A A . 7 LYS HA 1 1 3 778 1 1 7 LYS HB2 H -3.839 2.084 9.108 1.00 . A A . 7 LYS HB2 1 1 3 779 1 1 7 LYS HB3 H -4.840 3.405 8.520 1.00 . A A . 7 LYS HB3 1 1 3 780 1 1 7 LYS HD2 H -6.981 1.174 7.129 1.00 . A A . 7 LYS HD2 1 1 3 781 1 1 7 LYS HD3 H -7.969 0.979 8.566 1.00 . A A . 7 LYS HD3 1 1 3 782 1 1 7 LYS HE2 H -8.058 3.509 8.874 1.00 . A A . 7 LYS HE2 1 1 3 783 1 1 7 LYS HE3 H -7.083 3.715 7.412 1.00 . A A . 7 LYS HE3 1 1 3 784 1 1 7 LYS HG2 H -5.707 0.554 9.193 1.00 . A A . 7 LYS HG2 1 1 3 785 1 1 7 LYS HG3 H -6.201 2.025 9.992 1.00 . A A . 7 LYS HG3 1 1 3 786 1 1 7 LYS HZ1 H -9.416 3.921 6.951 1.00 . A A . 7 LYS HZ1 1 1 3 787 1 1 7 LYS HZ2 H -8.828 2.568 6.164 1.00 . A A . 7 LYS HZ2 1 1 3 788 1 1 7 LYS HZ3 H -9.731 2.380 7.514 1.00 . A A . 7 LYS HZ3 1 1 3 789 1 1 7 LYS N N -3.942 0.530 6.935 1.00 . A A . 7 LYS N 1 1 3 790 1 1 7 LYS NZ N -9.037 2.993 7.076 1.00 . A A . 7 LYS NZ 1 1 3 791 1 1 7 LYS O O -3.609 4.171 6.280 1.00 . A A . 7 LYS O 1 1 3 792 1 1 8 ASP C C -0.788 3.492 4.418 1.00 . A A . 8 ASP C 1 1 3 793 1 1 8 ASP CA C -0.861 3.787 5.966 1.00 . A A . 8 ASP CA 1 1 3 794 1 1 8 ASP CB C 0.462 3.572 6.724 1.00 . A A . 8 ASP CB 1 1 3 795 1 1 8 ASP CG C 1.516 4.668 6.516 1.00 . A A . 8 ASP CG 1 1 3 796 1 1 8 ASP H H -1.627 1.797 6.428 1.00 . A A . 8 ASP H 1 1 3 797 1 1 8 ASP HA H -1.150 4.821 6.187 1.00 . A A . 8 ASP HA 1 1 3 798 1 1 8 ASP HB2 H 0.268 3.465 7.808 1.00 . A A . 8 ASP HB2 1 1 3 799 1 1 8 ASP HB3 H 0.877 2.613 6.397 1.00 . A A . 8 ASP HB3 1 1 3 800 1 1 8 ASP HD2 H 1.965 6.436 7.198 1.00 . A A . 8 ASP HD2 1 1 3 801 1 1 8 ASP N N -1.844 2.787 6.495 1.00 . A A . 8 ASP N 1 1 3 802 1 1 8 ASP O O 0.291 3.304 3.855 1.00 . A A . 8 ASP O 1 1 3 803 1 1 8 ASP OD1 O 2.442 4.575 5.711 1.00 . A A . 8 ASP OD1 1 1 3 804 1 1 8 ASP OD2 O 1.305 5.753 7.329 1.00 . A A . 8 ASP OD2 1 1 3 805 1 1 9 PHE C C -1.674 1.707 2.086 1.00 . A A . 9 PHE C 1 1 3 806 1 1 9 PHE CA C -2.181 3.193 2.298 1.00 . A A . 9 PHE CA 1 1 3 807 1 1 9 PHE CB C -1.580 4.351 1.481 1.00 . A A . 9 PHE CB 1 1 3 808 1 1 9 PHE CD1 C -0.793 4.266 -0.937 1.00 . A A . 9 PHE CD1 1 1 3 809 1 1 9 PHE CD2 C -3.151 4.602 -0.516 1.00 . A A . 9 PHE CD2 1 1 3 810 1 1 9 PHE CE1 C -1.026 4.377 -2.312 1.00 . A A . 9 PHE CE1 1 1 3 811 1 1 9 PHE CE2 C -3.383 4.697 -1.893 1.00 . A A . 9 PHE CE2 1 1 3 812 1 1 9 PHE CG C -1.855 4.382 -0.033 1.00 . A A . 9 PHE CG 1 1 3 813 1 1 9 PHE CZ C -2.318 4.586 -2.783 1.00 . A A . 9 PHE CZ 1 1 3 814 1 1 9 PHE H H -2.767 3.692 4.330 1.00 . A A . 9 PHE H 1 1 3 815 1 1 9 PHE HA H -3.259 3.297 2.070 1.00 . A A . 9 PHE HA 1 1 3 816 1 1 9 PHE HB2 H -1.975 5.278 1.942 1.00 . A A . 9 PHE HB2 1 1 3 817 1 1 9 PHE HB3 H -0.508 4.371 1.684 1.00 . A A . 9 PHE HB3 1 1 3 818 1 1 9 PHE HD1 H 0.207 4.110 -0.543 1.00 . A A . 9 PHE HD1 1 1 3 819 1 1 9 PHE HD2 H -3.958 4.704 0.205 1.00 . A A . 9 PHE HD2 1 1 3 820 1 1 9 PHE HE1 H -0.228 4.318 -3.046 1.00 . A A . 9 PHE HE1 1 1 3 821 1 1 9 PHE HE2 H -4.369 4.867 -2.310 1.00 . A A . 9 PHE HE2 1 1 3 822 1 1 9 PHE HZ H -2.496 4.669 -3.845 1.00 . A A . 9 PHE HZ 1 1 3 823 1 1 9 PHE N N -1.975 3.477 3.740 1.00 . A A . 9 PHE N 1 1 3 824 1 1 9 PHE O O -0.896 1.483 1.152 1.00 . A A . 9 PHE O 1 1 3 825 1 1 10 ILE C C -0.056 -0.807 2.988 1.00 . A A . 10 ILE C 1 1 3 826 1 1 10 ILE CA C -1.610 -0.711 2.877 1.00 . A A . 10 ILE CA 1 1 3 827 1 1 10 ILE CB C -2.384 -1.421 1.730 1.00 . A A . 10 ILE CB 1 1 3 828 1 1 10 ILE CD1 C -4.789 -1.120 0.810 1.00 . A A . 10 ILE CD1 1 1 3 829 1 1 10 ILE CG1 C -3.909 -1.489 1.999 1.00 . A A . 10 ILE CG1 1 1 3 830 1 1 10 ILE CG2 C -1.862 -2.816 1.304 1.00 . A A . 10 ILE CG2 1 1 3 831 1 1 10 ILE H H -2.953 0.677 3.475 1.00 . A A . 10 ILE H 1 1 3 832 1 1 10 ILE HA H -1.998 -1.130 3.808 1.00 . A A . 10 ILE HA 1 1 3 833 1 1 10 ILE HB H -2.273 -0.744 0.898 1.00 . A A . 10 ILE HB 1 1 3 834 1 1 10 ILE HD11 H -5.855 -1.174 1.090 1.00 . A A . 10 ILE HD11 1 1 3 835 1 1 10 ILE HD12 H -4.584 -0.077 0.500 1.00 . A A . 10 ILE HD12 1 1 3 836 1 1 10 ILE HD13 H -4.605 -1.782 -0.052 1.00 . A A . 10 ILE HD13 1 1 3 837 1 1 10 ILE HG12 H -4.141 -2.476 2.408 1.00 . A A . 10 ILE HG12 1 1 3 838 1 1 10 ILE HG13 H -4.213 -0.776 2.781 1.00 . A A . 10 ILE HG13 1 1 3 839 1 1 10 ILE HG21 H -2.484 -3.261 0.505 1.00 . A A . 10 ILE HG21 1 1 3 840 1 1 10 ILE HG22 H -0.836 -2.778 0.899 1.00 . A A . 10 ILE HG22 1 1 3 841 1 1 10 ILE HG23 H -1.854 -3.532 2.146 1.00 . A A . 10 ILE HG23 1 1 3 842 1 1 10 ILE N N -2.046 0.698 2.967 1.00 . A A . 10 ILE N 1 1 3 843 1 1 10 ILE O O 0.628 -1.162 2.025 1.00 . A A . 10 ILE O 1 1 3 844 1 1 11 ASN C C 2.843 0.355 3.433 1.00 . A A . 11 ASN C 1 1 3 845 1 1 11 ASN CA C 1.952 -0.444 4.483 1.00 . A A . 11 ASN CA 1 1 3 846 1 1 11 ASN CB C 2.366 -1.917 4.733 1.00 . A A . 11 ASN CB 1 1 3 847 1 1 11 ASN CG C 3.689 -2.141 5.491 1.00 . A A . 11 ASN CG 1 1 3 848 1 1 11 ASN H H -0.206 -0.275 4.921 1.00 . A A . 11 ASN H 1 1 3 849 1 1 11 ASN HA H 2.099 -0.016 5.492 1.00 . A A . 11 ASN HA 1 1 3 850 1 1 11 ASN HB2 H 1.561 -2.458 5.270 1.00 . A A . 11 ASN HB2 1 1 3 851 1 1 11 ASN HB3 H 2.411 -2.399 3.756 1.00 . A A . 11 ASN HB3 1 1 3 852 1 1 11 ASN HD21 H 4.532 -2.369 7.297 1.00 . A A . 11 ASN HD21 1 1 3 853 1 1 11 ASN HD22 H 2.713 -2.123 7.239 1.00 . A A . 11 ASN HD22 1 1 3 854 1 1 11 ASN N N 0.484 -0.433 4.180 1.00 . A A . 11 ASN N 1 1 3 855 1 1 11 ASN ND2 N 3.640 -2.222 6.811 1.00 . A A . 11 ASN ND2 1 1 3 856 1 1 11 ASN O O 4.023 0.023 3.278 1.00 . A A . 11 ASN O 1 1 3 857 1 1 11 ASN OD1 O 4.760 -2.240 4.898 1.00 . A A . 11 ASN OD1 1 1 3 858 1 1 12 ASN C C 3.407 1.331 0.468 1.00 . A A . 12 ASN C 1 1 3 859 1 1 12 ASN CA C 3.061 2.211 1.708 1.00 . A A . 12 ASN CA 1 1 3 860 1 1 12 ASN CB C 4.167 3.061 2.362 1.00 . A A . 12 ASN CB 1 1 3 861 1 1 12 ASN CG C 4.946 4.008 1.440 1.00 . A A . 12 ASN CG 1 1 3 862 1 1 12 ASN H H 1.322 1.601 2.767 1.00 . A A . 12 ASN H 1 1 3 863 1 1 12 ASN HA H 2.373 2.981 1.356 1.00 . A A . 12 ASN HA 1 1 3 864 1 1 12 ASN HB2 H 3.731 3.616 3.220 1.00 . A A . 12 ASN HB2 1 1 3 865 1 1 12 ASN HB3 H 4.863 2.410 2.843 1.00 . A A . 12 ASN HB3 1 1 3 866 1 1 12 ASN HD21 H 5.094 5.996 1.125 1.00 . A A . 12 ASN HD21 1 1 3 867 1 1 12 ASN HD22 H 3.862 5.249 2.309 1.00 . A A . 12 ASN HD22 1 1 3 868 1 1 12 ASN N N 2.325 1.406 2.720 1.00 . A A . 12 ASN N 1 1 3 869 1 1 12 ASN ND2 N 4.532 5.242 1.532 1.00 . A A . 12 ASN ND2 1 1 3 870 1 1 12 ASN O O 4.579 1.133 0.159 1.00 . A A . 12 ASN O 1 1 3 871 1 1 12 ASN OD1 O 5.878 3.663 0.715 1.00 . A A . 12 ASN OD1 1 1 3 872 1 1 13 LYS C C 3.322 -1.367 -1.193 1.00 . A A . 13 LYS C 1 1 3 873 1 1 13 LYS CA C 2.520 -0.052 -1.445 1.00 . A A . 13 LYS CA 1 1 3 874 1 1 13 LYS CB C 2.976 0.752 -2.703 1.00 . A A . 13 LYS CB 1 1 3 875 1 1 13 LYS CD C 0.601 1.321 -3.694 1.00 . A A . 13 LYS CD 1 1 3 876 1 1 13 LYS CE C 0.561 0.290 -4.842 1.00 . A A . 13 LYS CE 1 1 3 877 1 1 13 LYS CG C 1.994 1.822 -3.239 1.00 . A A . 13 LYS CG 1 1 3 878 1 1 13 LYS H H 1.437 1.038 0.131 1.00 . A A . 13 LYS H 1 1 3 879 1 1 13 LYS HA H 1.518 -0.426 -1.659 1.00 . A A . 13 LYS HA 1 1 3 880 1 1 13 LYS HB2 H 3.950 1.233 -2.497 1.00 . A A . 13 LYS HB2 1 1 3 881 1 1 13 LYS HB3 H 3.186 0.050 -3.531 1.00 . A A . 13 LYS HB3 1 1 3 882 1 1 13 LYS HD2 H 0.076 0.897 -2.817 1.00 . A A . 13 LYS HD2 1 1 3 883 1 1 13 LYS HD3 H -0.013 2.193 -3.977 1.00 . A A . 13 LYS HD3 1 1 3 884 1 1 13 LYS HE2 H 1.153 -0.605 -4.585 1.00 . A A . 13 LYS HE2 1 1 3 885 1 1 13 LYS HE3 H -0.476 -0.071 -4.968 1.00 . A A . 13 LYS HE3 1 1 3 886 1 1 13 LYS HG2 H 1.854 2.602 -2.465 1.00 . A A . 13 LYS HG2 1 1 3 887 1 1 13 LYS HG3 H 2.476 2.354 -4.080 1.00 . A A . 13 LYS HG3 1 1 3 888 1 1 13 LYS HZ1 H 0.456 1.623 -6.407 1.00 . A A . 13 LYS HZ1 1 1 3 889 1 1 13 LYS HZ2 H 2.010 1.111 -6.064 1.00 . A A . 13 LYS HZ2 1 1 3 890 1 1 13 LYS HZ3 H 0.993 0.105 -6.854 1.00 . A A . 13 LYS HZ3 1 1 3 891 1 1 13 LYS N N 2.370 0.819 -0.238 1.00 . A A . 13 LYS N 1 1 3 892 1 1 13 LYS NZ N 1.025 0.833 -6.133 1.00 . A A . 13 LYS NZ 1 1 3 893 1 1 13 LYS O O 4.227 -1.712 -1.960 1.00 . A A . 13 LYS O 1 1 3 894 1 1 14 HIS C C 5.134 -3.212 0.428 1.00 . A A . 14 HIS C 1 1 3 895 1 1 14 HIS CA C 3.593 -3.413 0.284 1.00 . A A . 14 HIS CA 1 1 3 896 1 1 14 HIS CB C 3.183 -4.616 -0.615 1.00 . A A . 14 HIS CB 1 1 3 897 1 1 14 HIS CD2 C 1.167 -5.806 0.531 1.00 . A A . 14 HIS CD2 1 1 3 898 1 1 14 HIS CE1 C -0.323 -5.391 -0.892 1.00 . A A . 14 HIS CE1 1 1 3 899 1 1 14 HIS CG C 1.713 -5.035 -0.511 1.00 . A A . 14 HIS CG 1 1 3 900 1 1 14 HIS H H 2.192 -1.691 0.426 1.00 . A A . 14 HIS H 1 1 3 901 1 1 14 HIS HA H 3.223 -3.638 1.296 1.00 . A A . 14 HIS HA 1 1 3 902 1 1 14 HIS HB2 H 3.446 -4.409 -1.670 1.00 . A A . 14 HIS HB2 1 1 3 903 1 1 14 HIS HB3 H 3.803 -5.494 -0.348 1.00 . A A . 14 HIS HB3 1 1 3 904 1 1 14 HIS HD2 H 1.714 -6.174 1.389 1.00 . A A . 14 HIS HD2 1 1 3 905 1 1 14 HIS HE1 H -1.288 -5.376 -1.378 1.00 . A A . 14 HIS HE1 1 1 3 906 1 1 14 HIS HE2 H -0.854 -6.574 0.853 1.00 . A A . 14 HIS HE2 1 1 3 907 1 1 14 HIS N N 2.940 -2.123 -0.129 1.00 . A A . 14 HIS N 1 1 3 908 1 1 14 HIS ND1 N 0.745 -4.747 -1.470 1.00 . A A . 14 HIS ND1 1 1 3 909 1 1 14 HIS NE2 N -0.172 -6.046 0.298 1.00 . A A . 14 HIS NE2 1 1 3 910 1 1 14 HIS O O 5.928 -3.799 -0.317 1.00 . A A . 14 HIS O 1 1 3 911 1 1 15 LEU C C 7.623 -1.344 0.398 1.00 . A A . 15 LEU C 1 1 3 912 1 1 15 LEU CA C 6.953 -1.998 1.668 1.00 . A A . 15 LEU CA 1 1 3 913 1 1 15 LEU CB C 7.790 -3.178 2.265 1.00 . A A . 15 LEU CB 1 1 3 914 1 1 15 LEU CD1 C 6.177 -4.840 3.456 1.00 . A A . 15 LEU CD1 1 1 3 915 1 1 15 LEU CD2 C 8.581 -4.696 4.123 1.00 . A A . 15 LEU CD2 1 1 3 916 1 1 15 LEU CG C 7.375 -3.854 3.615 1.00 . A A . 15 LEU CG 1 1 3 917 1 1 15 LEU H H 4.788 -1.976 1.992 1.00 . A A . 15 LEU H 1 1 3 918 1 1 15 LEU HA H 6.935 -1.180 2.406 1.00 . A A . 15 LEU HA 1 1 3 919 1 1 15 LEU HB2 H 7.908 -3.959 1.487 1.00 . A A . 15 LEU HB2 1 1 3 920 1 1 15 LEU HB3 H 8.816 -2.781 2.392 1.00 . A A . 15 LEU HB3 1 1 3 921 1 1 15 LEU HD11 H 6.354 -5.603 2.669 1.00 . A A . 15 LEU HD11 1 1 3 922 1 1 15 LEU HD12 H 5.960 -5.407 4.381 1.00 . A A . 15 LEU HD12 1 1 3 923 1 1 15 LEU HD13 H 5.229 -4.343 3.185 1.00 . A A . 15 LEU HD13 1 1 3 924 1 1 15 LEU HD21 H 9.491 -4.088 4.286 1.00 . A A . 15 LEU HD21 1 1 3 925 1 1 15 LEU HD22 H 8.875 -5.492 3.405 1.00 . A A . 15 LEU HD22 1 1 3 926 1 1 15 LEU HD23 H 8.375 -5.212 5.080 1.00 . A A . 15 LEU HD23 1 1 3 927 1 1 15 LEU HG H 7.130 -3.048 4.372 1.00 . A A . 15 LEU HG 1 1 3 928 1 1 15 LEU N N 5.532 -2.344 1.392 1.00 . A A . 15 LEU N 1 1 3 929 1 1 15 LEU O O 8.794 -1.607 0.117 1.00 . A A . 15 LEU O 1 1 3 930 1 1 16 ASN C C 8.020 -0.814 -2.604 1.00 . A A . 16 ASN C 1 1 3 931 1 1 16 ASN CA C 7.380 0.203 -1.602 1.00 . A A . 16 ASN CA 1 1 3 932 1 1 16 ASN CB C 8.210 1.448 -1.196 1.00 . A A . 16 ASN CB 1 1 3 933 1 1 16 ASN CG C 8.691 2.520 -2.186 1.00 . A A . 16 ASN CG 1 1 3 934 1 1 16 ASN H H 5.917 -0.299 -0.063 1.00 . A A . 16 ASN H 1 1 3 935 1 1 16 ASN HA H 6.495 0.619 -2.094 1.00 . A A . 16 ASN HA 1 1 3 936 1 1 16 ASN HB2 H 7.654 1.978 -0.407 1.00 . A A . 16 ASN HB2 1 1 3 937 1 1 16 ASN HB3 H 9.105 1.039 -0.763 1.00 . A A . 16 ASN HB3 1 1 3 938 1 1 16 ASN HD21 H 8.481 3.040 -4.116 1.00 . A A . 16 ASN HD21 1 1 3 939 1 1 16 ASN HD22 H 7.525 1.666 -3.299 1.00 . A A . 16 ASN HD22 1 1 3 940 1 1 16 ASN N N 6.889 -0.479 -0.366 1.00 . A A . 16 ASN N 1 1 3 941 1 1 16 ASN ND2 N 8.061 2.538 -3.325 1.00 . A A . 16 ASN ND2 1 1 3 942 1 1 16 ASN O O 9.193 -0.701 -2.970 1.00 . A A . 16 ASN O 1 1 3 943 1 1 16 ASN OD1 O 9.605 3.301 -1.927 1.00 . A A . 16 ASN OD1 1 1 3 944 1 1 17 GLU C C 8.839 -3.739 -3.397 1.00 . A A . 17 GLU C 1 1 3 945 1 1 17 GLU CA C 7.603 -2.929 -3.895 1.00 . A A . 17 GLU CA 1 1 3 946 1 1 17 GLU CB C 7.592 -2.464 -5.354 1.00 . A A . 17 GLU CB 1 1 3 947 1 1 17 GLU CD C 6.206 -1.498 -7.294 1.00 . A A . 17 GLU CD 1 1 3 948 1 1 17 GLU CG C 6.232 -1.906 -5.821 1.00 . A A . 17 GLU CG 1 1 3 949 1 1 17 GLU H H 6.214 -1.679 -2.984 1.00 . A A . 17 GLU H 1 1 3 950 1 1 17 GLU HA H 6.744 -3.604 -3.891 1.00 . A A . 17 GLU HA 1 1 3 951 1 1 17 GLU HB2 H 8.404 -1.749 -5.511 1.00 . A A . 17 GLU HB2 1 1 3 952 1 1 17 GLU HB3 H 7.811 -3.348 -5.949 1.00 . A A . 17 GLU HB3 1 1 3 953 1 1 17 GLU HE2 H 6.891 0.210 -6.656 1.00 . A A . 17 GLU HE2 1 1 3 954 1 1 17 GLU HG2 H 5.439 -2.644 -5.608 1.00 . A A . 17 GLU HG2 1 1 3 955 1 1 17 GLU HG3 H 5.963 -1.057 -5.175 1.00 . A A . 17 GLU HG3 1 1 3 956 1 1 17 GLU N N 7.223 -1.845 -2.979 1.00 . A A . 17 GLU N 1 1 3 957 1 1 17 GLU O O 9.914 -3.683 -4.001 1.00 . A A . 17 GLU O 1 1 3 958 1 1 17 GLU OE1 O 5.833 -2.245 -8.197 1.00 . A A . 17 GLU OE1 1 1 3 959 1 1 17 GLU OE2 O 6.643 -0.212 -7.482 1.00 . A A . 17 GLU OE2 1 1 3 960 1 1 18 HIS C C 10.896 -4.491 -1.064 1.00 . A A . 18 HIS C 1 1 3 961 1 1 18 HIS CA C 9.681 -5.310 -1.600 1.00 . A A . 18 HIS CA 1 1 3 962 1 1 18 HIS CB C 10.005 -6.521 -2.497 1.00 . A A . 18 HIS CB 1 1 3 963 1 1 18 HIS CD2 C 11.139 -8.817 -2.519 1.00 . A A . 18 HIS CD2 1 1 3 964 1 1 18 HIS CE1 C 11.680 -8.994 -0.497 1.00 . A A . 18 HIS CE1 1 1 3 965 1 1 18 HIS CG C 10.754 -7.664 -1.827 1.00 . A A . 18 HIS CG 1 1 3 966 1 1 18 HIS H H 7.694 -4.549 -1.943 1.00 . A A . 18 HIS H 1 1 3 967 1 1 18 HIS HA H 9.159 -5.756 -0.730 1.00 . A A . 18 HIS HA 1 1 3 968 1 1 18 HIS HB2 H 9.053 -6.936 -2.881 1.00 . A A . 18 HIS HB2 1 1 3 969 1 1 18 HIS HB3 H 10.546 -6.182 -3.395 1.00 . A A . 18 HIS HB3 1 1 3 970 1 1 18 HIS HD2 H 10.934 -8.978 -3.567 1.00 . A A . 18 HIS HD2 1 1 3 971 1 1 18 HIS HE1 H 12.076 -9.412 0.417 1.00 . A A . 18 HIS HE1 1 1 3 972 1 1 18 HIS HE2 H 12.139 -10.642 -1.845 1.00 . A A . 18 HIS HE2 1 1 3 973 1 1 18 HIS N N 8.659 -4.459 -2.259 1.00 . A A . 18 HIS N 1 1 3 974 1 1 18 HIS ND1 N 11.088 -7.753 -0.481 1.00 . A A . 18 HIS ND1 1 1 3 975 1 1 18 HIS NE2 N 11.759 -9.706 -1.665 1.00 . A A . 18 HIS NE2 1 1 3 976 1 1 18 HIS O O 11.795 -4.119 -1.823 1.00 . A A . 18 HIS O 1 1 3 977 1 1 19 ALA C C 11.889 -1.985 0.773 1.00 . A A . 19 ALA C 1 1 3 978 1 1 19 ALA CA C 11.950 -3.520 1.015 1.00 . A A . 19 ALA CA 1 1 3 979 1 1 19 ALA CB C 13.380 -4.084 0.830 1.00 . A A . 19 ALA CB 1 1 3 980 1 1 19 ALA H H 10.024 -4.561 0.723 1.00 . A A . 19 ALA H 1 1 3 981 1 1 19 ALA HA H 11.716 -3.715 2.080 1.00 . A A . 19 ALA HA 1 1 3 982 1 1 19 ALA HB1 H 13.773 -3.923 -0.191 1.00 . A A . 19 ALA HB1 1 1 3 983 1 1 19 ALA HB2 H 14.092 -3.609 1.529 1.00 . A A . 19 ALA HB2 1 1 3 984 1 1 19 ALA HB3 H 13.416 -5.172 1.029 1.00 . A A . 19 ALA HB3 1 1 3 985 1 1 19 ALA N N 10.886 -4.246 0.263 1.00 . A A . 19 ALA N 1 1 3 986 1 1 19 ALA O O 12.259 -1.501 -0.301 1.00 . A A . 19 ALA O 1 1 3 987 1 1 20 HIS C C 12.675 0.960 1.920 1.00 . A A . 20 HIS C 1 1 3 988 1 1 20 HIS CA C 11.303 0.242 1.739 1.00 . A A . 20 HIS CA 1 1 3 989 1 1 20 HIS CB C 10.186 0.682 2.724 1.00 . A A . 20 HIS CB 1 1 3 990 1 1 20 HIS CD2 C 8.671 2.665 3.319 1.00 . A A . 20 HIS CD2 1 1 3 991 1 1 20 HIS CE1 C 9.168 3.996 1.772 1.00 . A A . 20 HIS CE1 1 1 3 992 1 1 20 HIS CG C 9.658 2.094 2.508 1.00 . A A . 20 HIS CG 1 1 3 993 1 1 20 HIS H H 11.033 -1.759 2.574 1.00 . A A . 20 HIS H 1 1 3 994 1 1 20 HIS HXT H 14.136 1.442 3.121 1.00 . A A . 20 HIS HXT 1 1 3 995 1 1 20 HIS HA H 10.918 0.488 0.737 1.00 . A A . 20 HIS HA 1 1 3 996 1 1 20 HIS HB2 H 9.308 0.010 2.647 1.00 . A A . 20 HIS HB2 1 1 3 997 1 1 20 HIS HB3 H 10.525 0.576 3.772 1.00 . A A . 20 HIS HB3 1 1 3 998 1 1 20 HIS HD2 H 8.216 2.159 4.158 1.00 . A A . 20 HIS HD2 1 1 3 999 1 1 20 HIS HE1 H 9.150 4.872 1.139 1.00 . A A . 20 HIS HE1 1 1 3 1000 1 1 20 HIS HE2 H 7.640 4.589 3.204 1.00 . A A . 20 HIS HE2 1 1 3 1001 1 1 20 HIS N N 11.432 -1.234 1.795 1.00 . A A . 20 HIS N 1 1 3 1002 1 1 20 HIS ND1 N 10.009 2.950 1.471 1.00 . A A . 20 HIS ND1 1 1 3 1003 1 1 20 HIS NE2 N 8.342 3.924 2.863 1.00 . A A . 20 HIS NE2 1 1 3 1004 1 1 20 HIS O O 13.207 1.529 0.966 1.00 . A A . 20 HIS O 1 1 3 1005 1 1 20 HIS OXT O 13.307 0.961 3.179 1.00 . A A . 20 HIS OXT 1 1 4 1006 1 1 1 SER C C -7.410 -0.925 11.675 1.00 . A A . 1 SER C 1 1 4 1007 1 1 1 SER CA C -8.850 -1.515 11.857 1.00 . A A . 1 SER CA 1 1 4 1008 1 1 1 SER CB C -8.897 -3.051 11.906 1.00 . A A . 1 SER CB 1 1 4 1009 1 1 1 SER H1 H -10.370 -1.933 11.002 1.00 . A A . 1 SER H1 1 1 4 1010 1 1 1 SER H2 H -10.643 -0.535 11.106 1.00 . A A . 1 SER H2 1 1 4 1011 1 1 1 SER H3 H -9.696 -1.361 9.880 1.00 . A A . 1 SER H3 1 1 4 1012 1 1 1 SER HA H -9.200 -1.199 12.825 1.00 . A A . 1 SER HA 1 1 4 1013 1 1 1 SER HB2 H -9.937 -3.429 11.843 1.00 . A A . 1 SER HB2 1 1 4 1014 1 1 1 SER HB3 H -8.362 -3.439 11.033 1.00 . A A . 1 SER HB3 1 1 4 1015 1 1 1 SER HG H -8.808 -3.194 13.821 1.00 . A A . 1 SER HG 1 1 4 1016 1 1 1 SER N N -9.841 -1.087 10.842 1.00 . A A . 1 SER N 1 1 4 1017 1 1 1 SER O O -6.413 -1.583 11.991 1.00 . A A . 1 SER O 1 1 4 1018 1 1 1 SER OG O -8.294 -3.550 13.094 1.00 . A A . 1 SER OG 1 1 4 1019 1 1 2 ASP C C -6.396 2.565 10.877 1.00 . A A . 2 ASP C 1 1 4 1020 1 1 2 ASP CA C -6.035 1.054 11.002 1.00 . A A . 2 ASP CA 1 1 4 1021 1 1 2 ASP CB C -5.235 0.497 9.784 1.00 . A A . 2 ASP CB 1 1 4 1022 1 1 2 ASP CG C -3.767 0.934 9.762 1.00 . A A . 2 ASP CG 1 1 4 1023 1 1 2 ASP H H -8.209 0.797 11.076 1.00 . A A . 2 ASP H 1 1 4 1024 1 1 2 ASP HA H -5.452 0.917 11.937 1.00 . A A . 2 ASP HA 1 1 4 1025 1 1 2 ASP HB2 H -5.277 -0.610 9.716 1.00 . A A . 2 ASP HB2 1 1 4 1026 1 1 2 ASP HB3 H -5.727 0.826 8.855 1.00 . A A . 2 ASP HB3 1 1 4 1027 1 1 2 ASP HD2 H -3.451 -0.673 10.814 1.00 . A A . 2 ASP HD2 1 1 4 1028 1 1 2 ASP N N -7.310 0.329 11.191 1.00 . A A . 2 ASP N 1 1 4 1029 1 1 2 ASP O O -6.480 3.148 9.781 1.00 . A A . 2 ASP O 1 1 4 1030 1 1 2 ASP OD1 O -3.370 1.955 9.201 1.00 . A A . 2 ASP OD1 1 1 4 1031 1 1 2 ASP OD2 O -2.957 0.063 10.443 1.00 . A A . 2 ASP OD2 1 1 4 1032 1 1 3 THR C C -5.777 5.690 11.864 1.00 . A A . 3 THR C 1 1 4 1033 1 1 3 THR CA C -6.900 4.633 12.164 1.00 . A A . 3 THR CA 1 1 4 1034 1 1 3 THR CB C -7.616 4.813 13.539 1.00 . A A . 3 THR CB 1 1 4 1035 1 1 3 THR CG2 C -8.779 5.791 13.428 1.00 . A A . 3 THR CG2 1 1 4 1036 1 1 3 THR H H -6.926 2.657 12.829 1.00 . A A . 3 THR H 1 1 4 1037 1 1 3 THR HA H -7.667 4.828 11.404 1.00 . A A . 3 THR HA 1 1 4 1038 1 1 3 THR HB H -6.862 5.183 14.233 1.00 . A A . 3 THR HB 1 1 4 1039 1 1 3 THR HG1 H -8.847 3.323 13.501 1.00 . A A . 3 THR HG1 1 1 4 1040 1 1 3 THR HG21 H -9.544 5.375 12.744 1.00 . A A . 3 THR HG21 1 1 4 1041 1 1 3 THR HG22 H -9.247 5.949 14.412 1.00 . A A . 3 THR HG22 1 1 4 1042 1 1 3 THR HG23 H -8.446 6.759 13.020 1.00 . A A . 3 THR HG23 1 1 4 1043 1 1 3 THR N N -6.554 3.207 12.051 1.00 . A A . 3 THR N 1 1 4 1044 1 1 3 THR O O -5.934 6.860 12.224 1.00 . A A . 3 THR O 1 1 4 1045 1 1 3 THR OG1 O -8.182 3.631 14.121 1.00 . A A . 3 THR OG1 1 1 4 1046 1 1 4 ARG C C -4.125 7.204 9.716 1.00 . A A . 4 ARG C 1 1 4 1047 1 1 4 ARG CA C -3.569 6.219 10.778 1.00 . A A . 4 ARG CA 1 1 4 1048 1 1 4 ARG CB C -2.358 5.395 10.261 1.00 . A A . 4 ARG CB 1 1 4 1049 1 1 4 ARG CD C -2.028 3.601 12.170 1.00 . A A . 4 ARG CD 1 1 4 1050 1 1 4 ARG CG C -1.433 4.782 11.340 1.00 . A A . 4 ARG CG 1 1 4 1051 1 1 4 ARG CZ C -0.166 2.008 12.738 1.00 . A A . 4 ARG CZ 1 1 4 1052 1 1 4 ARG H H -4.558 4.303 11.038 1.00 . A A . 4 ARG H 1 1 4 1053 1 1 4 ARG HA H -3.261 6.791 11.655 1.00 . A A . 4 ARG HA 1 1 4 1054 1 1 4 ARG HB2 H -2.683 4.606 9.553 1.00 . A A . 4 ARG HB2 1 1 4 1055 1 1 4 ARG HB3 H -1.723 6.057 9.641 1.00 . A A . 4 ARG HB3 1 1 4 1056 1 1 4 ARG HD2 H -2.879 3.936 12.795 1.00 . A A . 4 ARG HD2 1 1 4 1057 1 1 4 ARG HD3 H -2.487 2.824 11.526 1.00 . A A . 4 ARG HD3 1 1 4 1058 1 1 4 ARG HE H -0.971 3.350 14.020 1.00 . A A . 4 ARG HE 1 1 4 1059 1 1 4 ARG HG2 H -0.512 4.452 10.819 1.00 . A A . 4 ARG HG2 1 1 4 1060 1 1 4 ARG HG3 H -1.075 5.595 12.004 1.00 . A A . 4 ARG HG3 1 1 4 1061 1 1 4 ARG HH11 H 1.310 0.816 13.380 1.00 . A A . 4 ARG HH11 1 1 4 1062 1 1 4 ARG HH12 H 0.607 2.009 14.585 1.00 . A A . 4 ARG HH12 1 1 4 1063 1 1 4 ARG HH21 H 0.588 0.712 11.396 1.00 . A A . 4 ARG HH21 1 1 4 1064 1 1 4 ARG HH22 H -0.764 1.813 10.826 1.00 . A A . 4 ARG HH22 1 1 4 1065 1 1 4 ARG N N -4.673 5.309 11.177 1.00 . A A . 4 ARG N 1 1 4 1066 1 1 4 ARG NE N -1.021 2.995 13.076 1.00 . A A . 4 ARG NE 1 1 4 1067 1 1 4 ARG NH1 N 0.668 1.565 13.662 1.00 . A A . 4 ARG NH1 1 1 4 1068 1 1 4 ARG NH2 N -0.108 1.453 11.528 1.00 . A A . 4 ARG NH2 1 1 4 1069 1 1 4 ARG O O -4.224 8.411 9.961 1.00 . A A . 4 ARG O 1 1 4 1070 1 1 5 TYR C C -5.899 6.347 6.569 1.00 . A A . 5 TYR C 1 1 4 1071 1 1 5 TYR CA C -5.088 7.377 7.423 1.00 . A A . 5 TYR CA 1 1 4 1072 1 1 5 TYR CB C -4.052 8.245 6.663 1.00 . A A . 5 TYR CB 1 1 4 1073 1 1 5 TYR CD1 C -5.185 10.496 6.290 1.00 . A A . 5 TYR CD1 1 1 4 1074 1 1 5 TYR CD2 C -4.593 9.186 4.350 1.00 . A A . 5 TYR CD2 1 1 4 1075 1 1 5 TYR CE1 C -5.701 11.491 5.459 1.00 . A A . 5 TYR CE1 1 1 4 1076 1 1 5 TYR CE2 C -5.109 10.180 3.521 1.00 . A A . 5 TYR CE2 1 1 4 1077 1 1 5 TYR CG C -4.632 9.334 5.741 1.00 . A A . 5 TYR CG 1 1 4 1078 1 1 5 TYR CZ C -5.663 11.331 4.075 1.00 . A A . 5 TYR CZ 1 1 4 1079 1 1 5 TYR H H -4.446 5.625 8.554 1.00 . A A . 5 TYR H 1 1 4 1080 1 1 5 TYR HA H -5.819 8.061 7.845 1.00 . A A . 5 TYR HA 1 1 4 1081 1 1 5 TYR HB2 H -3.363 8.740 7.375 1.00 . A A . 5 TYR HB2 1 1 4 1082 1 1 5 TYR HB3 H -3.420 7.551 6.105 1.00 . A A . 5 TYR HB3 1 1 4 1083 1 1 5 TYR HD1 H -5.219 10.634 7.362 1.00 . A A . 5 TYR HD1 1 1 4 1084 1 1 5 TYR HD2 H -4.164 8.299 3.903 1.00 . A A . 5 TYR HD2 1 1 4 1085 1 1 5 TYR HE1 H -6.128 12.383 5.892 1.00 . A A . 5 TYR HE1 1 1 4 1086 1 1 5 TYR HE2 H -5.076 10.054 2.449 1.00 . A A . 5 TYR HE2 1 1 4 1087 1 1 5 TYR HH H -6.507 13.027 3.802 1.00 . A A . 5 TYR HH 1 1 4 1088 1 1 5 TYR N N -4.477 6.646 8.550 1.00 . A A . 5 TYR N 1 1 4 1089 1 1 5 TYR O O -5.791 6.373 5.338 1.00 . A A . 5 TYR O 1 1 4 1090 1 1 5 TYR OH O -6.170 12.311 3.259 1.00 . A A . 5 TYR OH 1 1 4 1091 1 1 6 ASN C C -6.512 3.426 5.857 1.00 . A A . 6 ASN C 1 1 4 1092 1 1 6 ASN CA C -7.554 4.429 6.469 1.00 . A A . 6 ASN CA 1 1 4 1093 1 1 6 ASN CB C -8.575 4.982 5.424 1.00 . A A . 6 ASN CB 1 1 4 1094 1 1 6 ASN CG C -9.680 5.895 5.991 1.00 . A A . 6 ASN CG 1 1 4 1095 1 1 6 ASN H H -6.536 5.273 8.186 1.00 . A A . 6 ASN H 1 1 4 1096 1 1 6 ASN HA H -8.198 3.943 7.235 1.00 . A A . 6 ASN HA 1 1 4 1097 1 1 6 ASN HB2 H -8.046 5.529 4.620 1.00 . A A . 6 ASN HB2 1 1 4 1098 1 1 6 ASN HB3 H -9.040 4.128 4.893 1.00 . A A . 6 ASN HB3 1 1 4 1099 1 1 6 ASN HD21 H -11.510 5.959 6.807 1.00 . A A . 6 ASN HD21 1 1 4 1100 1 1 6 ASN HD22 H -10.840 4.305 6.375 1.00 . A A . 6 ASN HD22 1 1 4 1101 1 1 6 ASN N N -6.744 5.457 7.190 1.00 . A A . 6 ASN N 1 1 4 1102 1 1 6 ASN ND2 N -10.792 5.329 6.433 1.00 . A A . 6 ASN ND2 1 1 4 1103 1 1 6 ASN O O -6.270 3.497 4.646 1.00 . A A . 6 ASN O 1 1 4 1104 1 1 6 ASN OD1 O -9.537 7.117 6.034 1.00 . A A . 6 ASN OD1 1 1 4 1105 1 1 7 LYS C C -3.421 2.181 5.920 1.00 . A A . 7 LYS C 1 1 4 1106 1 1 7 LYS CA C -4.829 1.573 6.160 1.00 . A A . 7 LYS CA 1 1 4 1107 1 1 7 LYS CB C -5.345 0.672 5.005 1.00 . A A . 7 LYS CB 1 1 4 1108 1 1 7 LYS CD C -6.689 -1.155 6.352 1.00 . A A . 7 LYS CD 1 1 4 1109 1 1 7 LYS CE C -5.810 -2.388 6.070 1.00 . A A . 7 LYS CE 1 1 4 1110 1 1 7 LYS CG C -6.677 -0.081 5.242 1.00 . A A . 7 LYS CG 1 1 4 1111 1 1 7 LYS H H -6.059 2.521 7.654 1.00 . A A . 7 LYS H 1 1 4 1112 1 1 7 LYS HA H -4.594 0.832 6.916 1.00 . A A . 7 LYS HA 1 1 4 1113 1 1 7 LYS HB2 H -5.432 1.267 4.081 1.00 . A A . 7 LYS HB2 1 1 4 1114 1 1 7 LYS HB3 H -4.564 -0.075 4.805 1.00 . A A . 7 LYS HB3 1 1 4 1115 1 1 7 LYS HD2 H -6.400 -0.693 7.313 1.00 . A A . 7 LYS HD2 1 1 4 1116 1 1 7 LYS HD3 H -7.737 -1.478 6.498 1.00 . A A . 7 LYS HD3 1 1 4 1117 1 1 7 LYS HE2 H -6.106 -2.862 5.116 1.00 . A A . 7 LYS HE2 1 1 4 1118 1 1 7 LYS HE3 H -4.751 -2.095 5.956 1.00 . A A . 7 LYS HE3 1 1 4 1119 1 1 7 LYS HG2 H -7.465 0.662 5.475 1.00 . A A . 7 LYS HG2 1 1 4 1120 1 1 7 LYS HG3 H -6.998 -0.539 4.292 1.00 . A A . 7 LYS HG3 1 1 4 1121 1 1 7 LYS HZ1 H -5.614 -2.977 8.030 1.00 . A A . 7 LYS HZ1 1 1 4 1122 1 1 7 LYS HZ2 H -6.879 -3.719 7.230 1.00 . A A . 7 LYS HZ2 1 1 4 1123 1 1 7 LYS HZ3 H -5.349 -4.207 6.930 1.00 . A A . 7 LYS HZ3 1 1 4 1124 1 1 7 LYS N N -5.844 2.547 6.659 1.00 . A A . 7 LYS N 1 1 4 1125 1 1 7 LYS NZ N -5.914 -3.380 7.155 1.00 . A A . 7 LYS NZ 1 1 4 1126 1 1 7 LYS O O -2.534 1.368 5.645 1.00 . A A . 7 LYS O 1 1 4 1127 1 1 8 ASP C C -1.257 3.641 4.416 1.00 . A A . 8 ASP C 1 1 4 1128 1 1 8 ASP CA C -1.726 4.081 5.856 1.00 . A A . 8 ASP CA 1 1 4 1129 1 1 8 ASP CB C -0.868 3.769 7.102 1.00 . A A . 8 ASP CB 1 1 4 1130 1 1 8 ASP CG C 0.646 3.999 7.008 1.00 . A A . 8 ASP CG 1 1 4 1131 1 1 8 ASP H H -3.758 3.961 6.778 1.00 . A A . 8 ASP H 1 1 4 1132 1 1 8 ASP HA H -1.691 5.186 5.836 1.00 . A A . 8 ASP HA 1 1 4 1133 1 1 8 ASP HB2 H -1.234 4.398 7.939 1.00 . A A . 8 ASP HB2 1 1 4 1134 1 1 8 ASP HB3 H -1.099 2.741 7.404 1.00 . A A . 8 ASP HB3 1 1 4 1135 1 1 8 ASP HD2 H 2.290 2.972 6.837 1.00 . A A . 8 ASP HD2 1 1 4 1136 1 1 8 ASP N N -3.112 3.510 6.125 1.00 . A A . 8 ASP N 1 1 4 1137 1 1 8 ASP O O -0.107 3.253 4.192 1.00 . A A . 8 ASP O 1 1 4 1138 1 1 8 ASP OD1 O 1.163 5.116 7.028 1.00 . A A . 8 ASP OD1 1 1 4 1139 1 1 8 ASP OD2 O 1.344 2.824 6.897 1.00 . A A . 8 ASP OD2 1 1 4 1140 1 1 9 PHE C C -1.655 1.791 1.929 1.00 . A A . 9 PHE C 1 1 4 1141 1 1 9 PHE CA C -2.070 3.325 2.035 1.00 . A A . 9 PHE CA 1 1 4 1142 1 1 9 PHE CB C -1.170 4.393 1.370 1.00 . A A . 9 PHE CB 1 1 4 1143 1 1 9 PHE CD1 C 0.175 4.462 -0.789 1.00 . A A . 9 PHE CD1 1 1 4 1144 1 1 9 PHE CD2 C -2.233 4.627 -0.947 1.00 . A A . 9 PHE CD2 1 1 4 1145 1 1 9 PHE CE1 C 0.275 4.644 -2.173 1.00 . A A . 9 PHE CE1 1 1 4 1146 1 1 9 PHE CE2 C -2.129 4.789 -2.334 1.00 . A A . 9 PHE CE2 1 1 4 1147 1 1 9 PHE CG C -1.080 4.455 -0.170 1.00 . A A . 9 PHE CG 1 1 4 1148 1 1 9 PHE CZ C -0.876 4.799 -2.937 1.00 . A A . 9 PHE CZ 1 1 4 1149 1 1 9 PHE H H -3.112 4.081 3.815 1.00 . A A . 9 PHE H 1 1 4 1150 1 1 9 PHE HA H -3.027 3.517 1.520 1.00 . A A . 9 PHE HA 1 1 4 1151 1 1 9 PHE HB2 H -1.533 5.383 1.717 1.00 . A A . 9 PHE HB2 1 1 4 1152 1 1 9 PHE HB3 H -0.179 4.288 1.816 1.00 . A A . 9 PHE HB3 1 1 4 1153 1 1 9 PHE HD1 H 1.060 4.354 -0.167 1.00 . A A . 9 PHE HD1 1 1 4 1154 1 1 9 PHE HD2 H -3.197 4.651 -0.448 1.00 . A A . 9 PHE HD2 1 1 4 1155 1 1 9 PHE HE1 H 1.227 4.678 -2.692 1.00 . A A . 9 PHE HE1 1 1 4 1156 1 1 9 PHE HE2 H -2.995 4.926 -2.974 1.00 . A A . 9 PHE HE2 1 1 4 1157 1 1 9 PHE HZ H -0.796 4.935 -4.006 1.00 . A A . 9 PHE HZ 1 1 4 1158 1 1 9 PHE N N -2.228 3.702 3.456 1.00 . A A . 9 PHE N 1 1 4 1159 1 1 9 PHE O O -0.878 1.492 1.017 1.00 . A A . 9 PHE O 1 1 4 1160 1 1 10 ILE C C -0.157 -0.785 2.811 1.00 . A A . 10 ILE C 1 1 4 1161 1 1 10 ILE CA C -1.712 -0.636 2.734 1.00 . A A . 10 ILE CA 1 1 4 1162 1 1 10 ILE CB C -2.557 -1.306 1.613 1.00 . A A . 10 ILE CB 1 1 4 1163 1 1 10 ILE CD1 C -5.007 -0.915 0.852 1.00 . A A . 10 ILE CD1 1 1 4 1164 1 1 10 ILE CG1 C -4.067 -1.337 1.979 1.00 . A A . 10 ILE CG1 1 1 4 1165 1 1 10 ILE CG2 C -2.088 -2.706 1.149 1.00 . A A . 10 ILE CG2 1 1 4 1166 1 1 10 ILE H H -2.991 0.862 3.362 1.00 . A A . 10 ILE H 1 1 4 1167 1 1 10 ILE HA H -2.081 -1.124 3.643 1.00 . A A . 10 ILE HA 1 1 4 1168 1 1 10 ILE HB H -2.479 -0.622 0.781 1.00 . A A . 10 ILE HB 1 1 4 1169 1 1 10 ILE HD11 H -4.897 -1.562 -0.033 1.00 . A A . 10 ILE HD11 1 1 4 1170 1 1 10 ILE HD12 H -4.791 0.129 0.548 1.00 . A A . 10 ILE HD12 1 1 4 1171 1 1 10 ILE HD13 H -6.056 -0.944 1.193 1.00 . A A . 10 ILE HD13 1 1 4 1172 1 1 10 ILE HG12 H -4.310 -2.327 2.369 1.00 . A A . 10 ILE HG12 1 1 4 1173 1 1 10 ILE HG13 H -4.288 -0.642 2.805 1.00 . A A . 10 ILE HG13 1 1 4 1174 1 1 10 ILE HG21 H -2.761 -3.130 0.379 1.00 . A A . 10 ILE HG21 1 1 4 1175 1 1 10 ILE HG22 H -1.083 -2.682 0.693 1.00 . A A . 10 ILE HG22 1 1 4 1176 1 1 10 ILE HG23 H -2.053 -3.428 1.986 1.00 . A A . 10 ILE HG23 1 1 4 1177 1 1 10 ILE N N -2.105 0.805 2.812 1.00 . A A . 10 ILE N 1 1 4 1178 1 1 10 ILE O O 0.498 -1.143 1.830 1.00 . A A . 10 ILE O 1 1 4 1179 1 1 11 ASN C C 2.762 0.320 3.265 1.00 . A A . 11 ASN C 1 1 4 1180 1 1 11 ASN CA C 1.874 -0.506 4.294 1.00 . A A . 11 ASN CA 1 1 4 1181 1 1 11 ASN CB C 2.268 -1.996 4.474 1.00 . A A . 11 ASN CB 1 1 4 1182 1 1 11 ASN CG C 3.596 -2.269 5.208 1.00 . A A . 11 ASN CG 1 1 4 1183 1 1 11 ASN H H -0.262 -0.332 4.766 1.00 . A A . 11 ASN H 1 1 4 1184 1 1 11 ASN HA H 2.040 -0.124 5.318 1.00 . A A . 11 ASN HA 1 1 4 1185 1 1 11 ASN HB2 H 1.460 -2.553 4.992 1.00 . A A . 11 ASN HB2 1 1 4 1186 1 1 11 ASN HB3 H 2.303 -2.434 3.474 1.00 . A A . 11 ASN HB3 1 1 4 1187 1 1 11 ASN HD21 H 4.455 -2.583 6.994 1.00 . A A . 11 ASN HD21 1 1 4 1188 1 1 11 ASN HD22 H 2.639 -2.313 6.965 1.00 . A A . 11 ASN HD22 1 1 4 1189 1 1 11 ASN N N 0.409 -0.449 4.003 1.00 . A A . 11 ASN N 1 1 4 1190 1 1 11 ASN ND2 N 3.560 -2.406 6.524 1.00 . A A . 11 ASN ND2 1 1 4 1191 1 1 11 ASN O O 3.937 -0.020 3.102 1.00 . A A . 11 ASN O 1 1 4 1192 1 1 11 ASN OD1 O 4.661 -2.353 4.601 1.00 . A A . 11 ASN OD1 1 1 4 1193 1 1 12 ASN C C 3.478 1.328 0.385 1.00 . A A . 12 ASN C 1 1 4 1194 1 1 12 ASN CA C 3.038 2.211 1.597 1.00 . A A . 12 ASN CA 1 1 4 1195 1 1 12 ASN CB C 4.086 3.096 2.299 1.00 . A A . 12 ASN CB 1 1 4 1196 1 1 12 ASN CG C 4.866 4.074 1.408 1.00 . A A . 12 ASN CG 1 1 4 1197 1 1 12 ASN H H 1.281 1.686 2.705 1.00 . A A . 12 ASN H 1 1 4 1198 1 1 12 ASN HA H 2.354 2.952 1.192 1.00 . A A . 12 ASN HA 1 1 4 1199 1 1 12 ASN HB2 H 3.596 3.637 3.137 1.00 . A A . 12 ASN HB2 1 1 4 1200 1 1 12 ASN HB3 H 4.790 2.474 2.807 1.00 . A A . 12 ASN HB3 1 1 4 1201 1 1 12 ASN HD21 H 4.938 6.060 1.077 1.00 . A A . 12 ASN HD21 1 1 4 1202 1 1 12 ASN HD22 H 3.690 5.269 2.211 1.00 . A A . 12 ASN HD22 1 1 4 1203 1 1 12 ASN N N 2.262 1.406 2.585 1.00 . A A . 12 ASN N 1 1 4 1204 1 1 12 ASN ND2 N 4.383 5.284 1.456 1.00 . A A . 12 ASN ND2 1 1 4 1205 1 1 12 ASN O O 4.669 1.178 0.122 1.00 . A A . 12 ASN O 1 1 4 1206 1 1 12 ASN OD1 O 5.859 3.768 0.748 1.00 . A A . 12 ASN OD1 1 1 4 1207 1 1 13 LYS C C 3.483 -1.438 -1.212 1.00 . A A . 13 LYS C 1 1 4 1208 1 1 13 LYS CA C 2.703 -0.123 -1.530 1.00 . A A . 13 LYS CA 1 1 4 1209 1 1 13 LYS CB C 3.247 0.654 -2.768 1.00 . A A . 13 LYS CB 1 1 4 1210 1 1 13 LYS CD C 0.962 1.410 -3.848 1.00 . A A . 13 LYS CD 1 1 4 1211 1 1 13 LYS CE C 0.958 0.470 -5.068 1.00 . A A . 13 LYS CE 1 1 4 1212 1 1 13 LYS CG C 2.367 1.795 -3.330 1.00 . A A . 13 LYS CG 1 1 4 1213 1 1 13 LYS H H 1.542 0.946 0.002 1.00 . A A . 13 LYS H 1 1 4 1214 1 1 13 LYS HA H 1.712 -0.487 -1.803 1.00 . A A . 13 LYS HA 1 1 4 1215 1 1 13 LYS HB2 H 4.241 1.073 -2.520 1.00 . A A . 13 LYS HB2 1 1 4 1216 1 1 13 LYS HB3 H 3.440 -0.059 -3.588 1.00 . A A . 13 LYS HB3 1 1 4 1217 1 1 13 LYS HD2 H 0.372 0.969 -3.021 1.00 . A A . 13 LYS HD2 1 1 4 1218 1 1 13 LYS HD3 H 0.432 2.344 -4.110 1.00 . A A . 13 LYS HD3 1 1 4 1219 1 1 13 LYS HE2 H 1.545 0.910 -5.896 1.00 . A A . 13 LYS HE2 1 1 4 1220 1 1 13 LYS HE3 H 1.443 -0.492 -4.822 1.00 . A A . 13 LYS HE3 1 1 4 1221 1 1 13 LYS HG2 H 2.257 2.565 -2.547 1.00 . A A . 13 LYS HG2 1 1 4 1222 1 1 13 LYS HG3 H 2.921 2.303 -4.141 1.00 . A A . 13 LYS HG3 1 1 4 1223 1 1 13 LYS HZ1 H -0.957 -0.230 -4.810 1.00 . A A . 13 LYS HZ1 1 1 4 1224 1 1 13 LYS HZ2 H -0.389 -0.394 -6.373 1.00 . A A . 13 LYS HZ2 1 1 4 1225 1 1 13 LYS HZ3 H -0.857 1.080 -5.840 1.00 . A A . 13 LYS HZ3 1 1 4 1226 1 1 13 LYS N N 2.489 0.761 -0.344 1.00 . A A . 13 LYS N 1 1 4 1227 1 1 13 LYS NZ N -0.412 0.206 -5.541 1.00 . A A . 13 LYS NZ 1 1 4 1228 1 1 13 LYS O O 4.381 -1.829 -1.964 1.00 . A A . 13 LYS O 1 1 4 1229 1 1 14 HIS C C 5.283 -3.214 0.495 1.00 . A A . 14 HIS C 1 1 4 1230 1 1 14 HIS CA C 3.745 -3.429 0.336 1.00 . A A . 14 HIS CA 1 1 4 1231 1 1 14 HIS CB C 3.350 -4.660 -0.533 1.00 . A A . 14 HIS CB 1 1 4 1232 1 1 14 HIS CD2 C 1.225 -5.745 0.526 1.00 . A A . 14 HIS CD2 1 1 4 1233 1 1 14 HIS CE1 C -0.170 -5.283 -0.978 1.00 . A A . 14 HIS CE1 1 1 4 1234 1 1 14 HIS CG C 1.863 -5.030 -0.505 1.00 . A A . 14 HIS CG 1 1 4 1235 1 1 14 HIS H H 2.334 -1.721 0.412 1.00 . A A . 14 HIS H 1 1 4 1236 1 1 14 HIS HA H 3.361 -3.625 1.347 1.00 . A A . 14 HIS HA 1 1 4 1237 1 1 14 HIS HB2 H 3.678 -4.505 -1.580 1.00 . A A . 14 HIS HB2 1 1 4 1238 1 1 14 HIS HB3 H 3.927 -5.541 -0.194 1.00 . A A . 14 HIS HB3 1 1 4 1239 1 1 14 HIS HD2 H 1.706 -6.110 1.423 1.00 . A A . 14 HIS HD2 1 1 4 1240 1 1 14 HIS HE1 H -1.109 -5.224 -1.511 1.00 . A A . 14 HIS HE1 1 1 4 1241 1 1 14 HIS HE2 H -0.851 -6.388 0.768 1.00 . A A . 14 HIS HE2 1 1 4 1242 1 1 14 HIS N N 3.098 -2.153 -0.120 1.00 . A A . 14 HIS N 1 1 4 1243 1 1 14 HIS ND1 N 0.959 -4.712 -1.515 1.00 . A A . 14 HIS ND1 1 1 4 1244 1 1 14 HIS NE2 N -0.113 -5.918 0.233 1.00 . A A . 14 HIS NE2 1 1 4 1245 1 1 14 HIS O O 6.088 -3.816 -0.222 1.00 . A A . 14 HIS O 1 1 4 1246 1 1 15 LEU C C 7.753 -1.294 0.460 1.00 . A A . 15 LEU C 1 1 4 1247 1 1 15 LEU CA C 7.079 -1.953 1.726 1.00 . A A . 15 LEU CA 1 1 4 1248 1 1 15 LEU CB C 7.924 -3.118 2.340 1.00 . A A . 15 LEU CB 1 1 4 1249 1 1 15 LEU CD1 C 6.369 -4.885 3.446 1.00 . A A . 15 LEU CD1 1 1 4 1250 1 1 15 LEU CD2 C 8.708 -4.573 4.254 1.00 . A A . 15 LEU CD2 1 1 4 1251 1 1 15 LEU CG C 7.481 -3.817 3.669 1.00 . A A . 15 LEU CG 1 1 4 1252 1 1 15 LEU H H 4.909 -1.924 2.011 1.00 . A A . 15 LEU H 1 1 4 1253 1 1 15 LEU HA H 7.041 -1.132 2.459 1.00 . A A . 15 LEU HA 1 1 4 1254 1 1 15 LEU HB2 H 8.087 -3.887 1.560 1.00 . A A . 15 LEU HB2 1 1 4 1255 1 1 15 LEU HB3 H 8.933 -2.691 2.503 1.00 . A A . 15 LEU HB3 1 1 4 1256 1 1 15 LEU HD11 H 6.128 -5.459 4.362 1.00 . A A . 15 LEU HD11 1 1 4 1257 1 1 15 LEU HD12 H 6.649 -5.642 2.683 1.00 . A A . 15 LEU HD12 1 1 4 1258 1 1 15 LEU HD13 H 5.407 -4.461 3.104 1.00 . A A . 15 LEU HD13 1 1 4 1259 1 1 15 LEU HD21 H 8.479 -5.100 5.199 1.00 . A A . 15 LEU HD21 1 1 4 1260 1 1 15 LEU HD22 H 9.100 -5.345 3.558 1.00 . A A . 15 LEU HD22 1 1 4 1261 1 1 15 LEU HD23 H 9.561 -3.901 4.468 1.00 . A A . 15 LEU HD23 1 1 4 1262 1 1 15 LEU HG H 7.137 -3.029 4.406 1.00 . A A . 15 LEU HG 1 1 4 1263 1 1 15 LEU N N 5.663 -2.319 1.441 1.00 . A A . 15 LEU N 1 1 4 1264 1 1 15 LEU O O 8.943 -1.511 0.213 1.00 . A A . 15 LEU O 1 1 4 1265 1 1 16 ASN C C 8.121 -0.807 -2.559 1.00 . A A . 16 ASN C 1 1 4 1266 1 1 16 ASN CA C 7.487 0.217 -1.561 1.00 . A A . 16 ASN CA 1 1 4 1267 1 1 16 ASN CB C 8.285 1.468 -1.169 1.00 . A A . 16 ASN CB 1 1 4 1268 1 1 16 ASN CG C 8.644 2.428 -2.307 1.00 . A A . 16 ASN CG 1 1 4 1269 1 1 16 ASN H H 6.029 -0.290 -0.028 1.00 . A A . 16 ASN H 1 1 4 1270 1 1 16 ASN HA H 6.609 0.656 -2.049 1.00 . A A . 16 ASN HA 1 1 4 1271 1 1 16 ASN HB2 H 7.733 1.991 -0.358 1.00 . A A . 16 ASN HB2 1 1 4 1272 1 1 16 ASN HB3 H 9.197 1.176 -0.689 1.00 . A A . 16 ASN HB3 1 1 4 1273 1 1 16 ASN HD21 H 8.106 4.272 -2.930 1.00 . A A . 16 ASN HD21 1 1 4 1274 1 1 16 ASN HD22 H 7.268 3.401 -1.511 1.00 . A A . 16 ASN HD22 1 1 4 1275 1 1 16 ASN N N 7.000 -0.466 -0.328 1.00 . A A . 16 ASN N 1 1 4 1276 1 1 16 ASN ND2 N 7.852 3.464 -2.351 1.00 . A A . 16 ASN ND2 1 1 4 1277 1 1 16 ASN O O 9.310 -0.737 -2.885 1.00 . A A . 16 ASN O 1 1 4 1278 1 1 16 ASN OD1 O 9.594 2.269 -3.073 1.00 . A A . 16 ASN OD1 1 1 4 1279 1 1 17 GLU C C 8.856 -3.752 -3.393 1.00 . A A . 17 GLU C 1 1 4 1280 1 1 17 GLU CA C 7.657 -2.886 -3.893 1.00 . A A . 17 GLU CA 1 1 4 1281 1 1 17 GLU CB C 7.683 -2.402 -5.346 1.00 . A A . 17 GLU CB 1 1 4 1282 1 1 17 GLU CD C 6.354 -1.370 -7.291 1.00 . A A . 17 GLU CD 1 1 4 1283 1 1 17 GLU CG C 6.348 -1.792 -5.823 1.00 . A A . 17 GLU CG 1 1 4 1284 1 1 17 GLU H H 6.292 -1.617 -2.970 1.00 . A A . 17 GLU H 1 1 4 1285 1 1 17 GLU HA H 6.777 -3.530 -3.911 1.00 . A A . 17 GLU HA 1 1 4 1286 1 1 17 GLU HB2 H 8.523 -1.713 -5.483 1.00 . A A . 17 GLU HB2 1 1 4 1287 1 1 17 GLU HB3 H 7.878 -3.287 -5.947 1.00 . A A . 17 GLU HB3 1 1 4 1288 1 1 17 GLU HE2 H 6.840 0.163 -8.387 1.00 . A A . 17 GLU HE2 1 1 4 1289 1 1 17 GLU HG2 H 5.529 -2.507 -5.626 1.00 . A A . 17 GLU HG2 1 1 4 1290 1 1 17 GLU HG3 H 6.098 -0.941 -5.173 1.00 . A A . 17 GLU HG3 1 1 4 1291 1 1 17 GLU N N 7.298 -1.801 -2.971 1.00 . A A . 17 GLU N 1 1 4 1292 1 1 17 GLU O O 9.931 -3.760 -4.000 1.00 . A A . 17 GLU O 1 1 4 1293 1 1 17 GLU OE1 O 5.966 -2.097 -8.205 1.00 . A A . 17 GLU OE1 1 1 4 1294 1 1 17 GLU OE2 O 6.838 -0.099 -7.464 1.00 . A A . 17 GLU OE2 1 1 4 1295 1 1 18 HIS C C 10.921 -4.627 -1.139 1.00 . A A . 18 HIS C 1 1 4 1296 1 1 18 HIS CA C 9.612 -5.351 -1.583 1.00 . A A . 18 HIS CA 1 1 4 1297 1 1 18 HIS CB C 9.794 -6.630 -2.432 1.00 . A A . 18 HIS CB 1 1 4 1298 1 1 18 HIS CD2 C 10.733 -9.012 -2.368 1.00 . A A . 18 HIS CD2 1 1 4 1299 1 1 18 HIS CE1 C 11.324 -9.135 -0.356 1.00 . A A . 18 HIS CE1 1 1 4 1300 1 1 18 HIS CG C 10.467 -7.798 -1.726 1.00 . A A . 18 HIS CG 1 1 4 1301 1 1 18 HIS H H 7.665 -4.469 -1.937 1.00 . A A . 18 HIS H 1 1 4 1302 1 1 18 HIS HA H 9.099 -5.705 -0.667 1.00 . A A . 18 HIS HA 1 1 4 1303 1 1 18 HIS HB2 H 8.799 -6.983 -2.766 1.00 . A A . 18 HIS HB2 1 1 4 1304 1 1 18 HIS HB3 H 10.330 -6.384 -3.363 1.00 . A A . 18 HIS HB3 1 1 4 1305 1 1 18 HIS HD2 H 10.481 -9.206 -3.400 1.00 . A A . 18 HIS HD2 1 1 4 1306 1 1 18 HIS HE1 H 11.715 -9.540 0.567 1.00 . A A . 18 HIS HE1 1 1 4 1307 1 1 18 HIS HE2 H 11.600 -10.879 -1.631 1.00 . A A . 18 HIS HE2 1 1 4 1308 1 1 18 HIS N N 8.637 -4.451 -2.250 1.00 . A A . 18 HIS N 1 1 4 1309 1 1 18 HIS ND1 N 10.836 -7.849 -0.387 1.00 . A A . 18 HIS ND1 1 1 4 1310 1 1 18 HIS NE2 N 11.305 -9.907 -1.487 1.00 . A A . 18 HIS NE2 1 1 4 1311 1 1 18 HIS O O 11.870 -4.505 -1.919 1.00 . A A . 18 HIS O 1 1 4 1312 1 1 19 ALA C C 12.347 -2.058 0.227 1.00 . A A . 19 ALA C 1 1 4 1313 1 1 19 ALA CA C 12.096 -3.490 0.781 1.00 . A A . 19 ALA CA 1 1 4 1314 1 1 19 ALA CB C 13.390 -4.337 0.811 1.00 . A A . 19 ALA CB 1 1 4 1315 1 1 19 ALA H H 10.053 -4.287 0.634 1.00 . A A . 19 ALA H 1 1 4 1316 1 1 19 ALA HA H 11.801 -3.403 1.846 1.00 . A A . 19 ALA HA 1 1 4 1317 1 1 19 ALA HB1 H 13.821 -4.488 -0.196 1.00 . A A . 19 ALA HB1 1 1 4 1318 1 1 19 ALA HB2 H 13.212 -5.338 1.245 1.00 . A A . 19 ALA HB2 1 1 4 1319 1 1 19 ALA HB3 H 14.171 -3.857 1.427 1.00 . A A . 19 ALA HB3 1 1 4 1320 1 1 19 ALA N N 10.940 -4.170 0.132 1.00 . A A . 19 ALA N 1 1 4 1321 1 1 19 ALA O O 12.845 -1.892 -0.891 1.00 . A A . 19 ALA O 1 1 4 1322 1 1 20 HIS C C 13.704 0.823 0.753 1.00 . A A . 20 HIS C 1 1 4 1323 1 1 20 HIS CA C 12.203 0.393 0.678 1.00 . A A . 20 HIS CA 1 1 4 1324 1 1 20 HIS CB C 11.225 1.261 1.516 1.00 . A A . 20 HIS CB 1 1 4 1325 1 1 20 HIS CD2 C 10.198 3.609 1.631 1.00 . A A . 20 HIS CD2 1 1 4 1326 1 1 20 HIS CE1 C 10.998 4.457 -0.117 1.00 . A A . 20 HIS CE1 1 1 4 1327 1 1 20 HIS CG C 11.039 2.683 1.003 1.00 . A A . 20 HIS CG 1 1 4 1328 1 1 20 HIS H H 11.470 -1.303 1.859 1.00 . A A . 20 HIS H 1 1 4 1329 1 1 20 HIS HXT H 15.248 1.217 1.878 1.00 . A A . 20 HIS HXT 1 1 4 1330 1 1 20 HIS HA H 11.867 0.500 -0.365 1.00 . A A . 20 HIS HA 1 1 4 1331 1 1 20 HIS HB2 H 10.221 0.797 1.540 1.00 . A A . 20 HIS HB2 1 1 4 1332 1 1 20 HIS HB3 H 11.542 1.299 2.575 1.00 . A A . 20 HIS HB3 1 1 4 1333 1 1 20 HIS HD2 H 9.639 3.396 2.529 1.00 . A A . 20 HIS HD2 1 1 4 1334 1 1 20 HIS HE1 H 11.192 5.170 -0.904 1.00 . A A . 20 HIS HE1 1 1 4 1335 1 1 20 HIS HE2 H 9.631 5.649 1.086 1.00 . A A . 20 HIS HE2 1 1 4 1336 1 1 20 HIS N N 12.018 -1.036 1.039 1.00 . A A . 20 HIS N 1 1 4 1337 1 1 20 HIS ND1 N 11.580 3.211 -0.164 1.00 . A A . 20 HIS ND1 1 1 4 1338 1 1 20 HIS NE2 N 10.161 4.788 0.914 1.00 . A A . 20 HIS NE2 1 1 4 1339 1 1 20 HIS O O 14.334 1.054 -0.278 1.00 . A A . 20 HIS O 1 1 4 1340 1 1 20 HIS OXT O 14.336 0.948 2.006 1.00 . A A . 20 HIS OXT 1 1 5 1341 1 1 1 SER C C -10.319 11.837 4.011 1.00 . A A . 1 SER C 1 1 5 1342 1 1 1 SER CA C -11.261 12.349 2.883 1.00 . A A . 1 SER CA 1 1 5 1343 1 1 1 SER CB C -11.837 13.771 2.943 1.00 . A A . 1 SER CB 1 1 5 1344 1 1 1 SER H1 H -13.033 12.216 2.610 1.00 . A A . 1 SER H1 1 1 5 1345 1 1 1 SER H2 H -12.912 10.956 3.270 1.00 . A A . 1 SER H2 1 1 5 1346 1 1 1 SER H3 H -12.604 11.334 1.574 1.00 . A A . 1 SER H3 1 1 5 1347 1 1 1 SER HA H -10.633 12.390 1.983 1.00 . A A . 1 SER HA 1 1 5 1348 1 1 1 SER HB2 H -12.099 14.105 1.917 1.00 . A A . 1 SER HB2 1 1 5 1349 1 1 1 SER HB3 H -12.786 13.711 3.483 1.00 . A A . 1 SER HB3 1 1 5 1350 1 1 1 SER HG H -10.167 14.726 2.982 1.00 . A A . 1 SER HG 1 1 5 1351 1 1 1 SER N N -12.390 11.440 2.553 1.00 . A A . 1 SER N 1 1 5 1352 1 1 1 SER O O -10.084 12.485 5.035 1.00 . A A . 1 SER O 1 1 5 1353 1 1 1 SER OG O -10.955 14.722 3.530 1.00 . A A . 1 SER OG 1 1 5 1354 1 1 2 ASP C C -8.180 8.776 3.792 1.00 . A A . 2 ASP C 1 1 5 1355 1 1 2 ASP CA C -8.847 9.914 4.628 1.00 . A A . 2 ASP CA 1 1 5 1356 1 1 2 ASP CB C -9.539 9.409 5.939 1.00 . A A . 2 ASP CB 1 1 5 1357 1 1 2 ASP CG C -8.545 9.073 7.062 1.00 . A A . 2 ASP CG 1 1 5 1358 1 1 2 ASP H H -10.078 10.278 2.828 1.00 . A A . 2 ASP H 1 1 5 1359 1 1 2 ASP HA H -8.048 10.643 4.868 1.00 . A A . 2 ASP HA 1 1 5 1360 1 1 2 ASP HB2 H -10.263 10.146 6.345 1.00 . A A . 2 ASP HB2 1 1 5 1361 1 1 2 ASP HB3 H -10.172 8.526 5.723 1.00 . A A . 2 ASP HB3 1 1 5 1362 1 1 2 ASP HD2 H -8.696 7.241 6.423 1.00 . A A . 2 ASP HD2 1 1 5 1363 1 1 2 ASP N N -9.807 10.623 3.754 1.00 . A A . 2 ASP N 1 1 5 1364 1 1 2 ASP O O -8.404 7.582 4.035 1.00 . A A . 2 ASP O 1 1 5 1365 1 1 2 ASP OD1 O -8.084 9.918 7.829 1.00 . A A . 2 ASP OD1 1 1 5 1366 1 1 2 ASP OD2 O -8.236 7.737 7.104 1.00 . A A . 2 ASP OD2 1 1 5 1367 1 1 3 THR C C -7.370 7.047 1.297 1.00 . A A . 3 THR C 1 1 5 1368 1 1 3 THR CA C -6.565 8.246 1.914 1.00 . A A . 3 THR CA 1 1 5 1369 1 1 3 THR CB C -5.166 7.985 2.566 1.00 . A A . 3 THR CB 1 1 5 1370 1 1 3 THR CG2 C -5.114 7.501 4.022 1.00 . A A . 3 THR CG2 1 1 5 1371 1 1 3 THR H H -7.200 10.182 2.764 1.00 . A A . 3 THR H 1 1 5 1372 1 1 3 THR HA H -6.285 8.822 1.021 1.00 . A A . 3 THR HA 1 1 5 1373 1 1 3 THR HB H -4.636 8.958 2.553 1.00 . A A . 3 THR HB 1 1 5 1374 1 1 3 THR HG1 H -4.866 6.242 1.811 1.00 . A A . 3 THR HG1 1 1 5 1375 1 1 3 THR HG21 H -5.683 6.567 4.160 1.00 . A A . 3 THR HG21 1 1 5 1376 1 1 3 THR HG22 H -5.536 8.265 4.703 1.00 . A A . 3 THR HG22 1 1 5 1377 1 1 3 THR HG23 H -4.072 7.343 4.345 1.00 . A A . 3 THR HG23 1 1 5 1378 1 1 3 THR N N -7.341 9.171 2.802 1.00 . A A . 3 THR N 1 1 5 1379 1 1 3 THR O O -6.904 5.905 1.320 1.00 . A A . 3 THR O 1 1 5 1380 1 1 3 THR OG1 O -4.399 7.081 1.780 1.00 . A A . 3 THR OG1 1 1 5 1381 1 1 4 ARG C C -9.823 5.135 1.048 1.00 . A A . 4 ARG C 1 1 5 1382 1 1 4 ARG CA C -9.483 6.325 0.089 1.00 . A A . 4 ARG CA 1 1 5 1383 1 1 4 ARG CB C -8.917 5.853 -1.296 1.00 . A A . 4 ARG CB 1 1 5 1384 1 1 4 ARG CD C -9.724 7.794 -2.876 1.00 . A A . 4 ARG CD 1 1 5 1385 1 1 4 ARG CG C -8.542 6.928 -2.352 1.00 . A A . 4 ARG CG 1 1 5 1386 1 1 4 ARG CZ C -10.027 9.622 -4.564 1.00 . A A . 4 ARG CZ 1 1 5 1387 1 1 4 ARG H H -8.940 8.281 0.857 1.00 . A A . 4 ARG H 1 1 5 1388 1 1 4 ARG HA H -10.444 6.856 -0.092 1.00 . A A . 4 ARG HA 1 1 5 1389 1 1 4 ARG HB2 H -8.011 5.236 -1.126 1.00 . A A . 4 ARG HB2 1 1 5 1390 1 1 4 ARG HB3 H -9.622 5.141 -1.769 1.00 . A A . 4 ARG HB3 1 1 5 1391 1 1 4 ARG HD2 H -10.539 7.167 -3.294 1.00 . A A . 4 ARG HD2 1 1 5 1392 1 1 4 ARG HD3 H -10.204 8.369 -2.056 1.00 . A A . 4 ARG HD3 1 1 5 1393 1 1 4 ARG HE H -8.265 8.712 -4.156 1.00 . A A . 4 ARG HE 1 1 5 1394 1 1 4 ARG HG2 H -7.728 7.562 -1.940 1.00 . A A . 4 ARG HG2 1 1 5 1395 1 1 4 ARG HG3 H -8.040 6.402 -3.192 1.00 . A A . 4 ARG HG3 1 1 5 1396 1 1 4 ARG HH11 H -11.751 9.144 -3.641 1.00 . A A . 4 ARG HH11 1 1 5 1397 1 1 4 ARG HH12 H -11.820 10.471 -4.906 1.00 . A A . 4 ARG HH12 1 1 5 1398 1 1 4 ARG HH21 H -8.455 10.277 -5.618 1.00 . A A . 4 ARG HH21 1 1 5 1399 1 1 4 ARG HH22 H -10.078 11.067 -5.949 1.00 . A A . 4 ARG HH22 1 1 5 1400 1 1 4 ARG N N -8.577 7.333 0.722 1.00 . A A . 4 ARG N 1 1 5 1401 1 1 4 ARG NE N -9.246 8.736 -3.916 1.00 . A A . 4 ARG NE 1 1 5 1402 1 1 4 ARG NH1 N -11.335 9.760 -4.349 1.00 . A A . 4 ARG NH1 1 1 5 1403 1 1 4 ARG NH2 N -9.463 10.401 -5.470 1.00 . A A . 4 ARG NH2 1 1 5 1404 1 1 4 ARG O O -9.768 3.979 0.623 1.00 . A A . 4 ARG O 1 1 5 1405 1 1 5 TYR C C -9.288 3.448 3.626 1.00 . A A . 5 TYR C 1 1 5 1406 1 1 5 TYR CA C -10.533 4.384 3.356 1.00 . A A . 5 TYR CA 1 1 5 1407 1 1 5 TYR CB C -11.892 3.714 3.039 1.00 . A A . 5 TYR CB 1 1 5 1408 1 1 5 TYR CD1 C -12.986 3.253 5.298 1.00 . A A . 5 TYR CD1 1 1 5 1409 1 1 5 TYR CD2 C -12.491 1.373 3.865 1.00 . A A . 5 TYR CD2 1 1 5 1410 1 1 5 TYR CE1 C -13.514 2.386 6.252 1.00 . A A . 5 TYR CE1 1 1 5 1411 1 1 5 TYR CE2 C -13.016 0.507 4.821 1.00 . A A . 5 TYR CE2 1 1 5 1412 1 1 5 TYR CG C -12.465 2.754 4.098 1.00 . A A . 5 TYR CG 1 1 5 1413 1 1 5 TYR CZ C -13.528 1.013 6.013 1.00 . A A . 5 TYR CZ 1 1 5 1414 1 1 5 TYR H H -10.204 6.406 2.579 1.00 . A A . 5 TYR H 1 1 5 1415 1 1 5 TYR HA H -10.745 4.921 4.288 1.00 . A A . 5 TYR HA 1 1 5 1416 1 1 5 TYR HB2 H -12.653 4.493 2.841 1.00 . A A . 5 TYR HB2 1 1 5 1417 1 1 5 TYR HB3 H -11.761 3.217 2.077 1.00 . A A . 5 TYR HB3 1 1 5 1418 1 1 5 TYR HD1 H -12.983 4.316 5.496 1.00 . A A . 5 TYR HD1 1 1 5 1419 1 1 5 TYR HD2 H -12.096 0.965 2.944 1.00 . A A . 5 TYR HD2 1 1 5 1420 1 1 5 TYR HE1 H -13.911 2.781 7.176 1.00 . A A . 5 TYR HE1 1 1 5 1421 1 1 5 TYR HE2 H -13.027 -0.557 4.633 1.00 . A A . 5 TYR HE2 1 1 5 1422 1 1 5 TYR HH H -14.353 0.671 7.706 1.00 . A A . 5 TYR HH 1 1 5 1423 1 1 5 TYR N N -10.199 5.416 2.326 1.00 . A A . 5 TYR N 1 1 5 1424 1 1 5 TYR O O -9.405 2.220 3.607 1.00 . A A . 5 TYR O 1 1 5 1425 1 1 5 TYR OH O -14.047 0.159 6.954 1.00 . A A . 5 TYR OH 1 1 5 1426 1 1 6 ASN C C -6.240 2.471 2.941 1.00 . A A . 6 ASN C 1 1 5 1427 1 1 6 ASN CA C -6.809 3.324 4.130 1.00 . A A . 6 ASN CA 1 1 5 1428 1 1 6 ASN CB C -6.793 2.552 5.489 1.00 . A A . 6 ASN CB 1 1 5 1429 1 1 6 ASN CG C -7.051 3.396 6.754 1.00 . A A . 6 ASN CG 1 1 5 1430 1 1 6 ASN H H -8.075 5.069 3.724 1.00 . A A . 6 ASN H 1 1 5 1431 1 1 6 ASN HA H -6.054 4.116 4.247 1.00 . A A . 6 ASN HA 1 1 5 1432 1 1 6 ASN HB2 H -7.515 1.718 5.451 1.00 . A A . 6 ASN HB2 1 1 5 1433 1 1 6 ASN HB3 H -5.811 2.052 5.612 1.00 . A A . 6 ASN HB3 1 1 5 1434 1 1 6 ASN HD21 H -6.230 4.608 8.126 1.00 . A A . 6 ASN HD21 1 1 5 1435 1 1 6 ASN HD22 H -5.125 3.956 6.815 1.00 . A A . 6 ASN HD22 1 1 5 1436 1 1 6 ASN N N -8.092 4.050 3.867 1.00 . A A . 6 ASN N 1 1 5 1437 1 1 6 ASN ND2 N -6.031 4.054 7.286 1.00 . A A . 6 ASN ND2 1 1 5 1438 1 1 6 ASN O O -5.346 1.651 3.182 1.00 . A A . 6 ASN O 1 1 5 1439 1 1 6 ASN OD1 O -8.173 3.460 7.258 1.00 . A A . 6 ASN OD1 1 1 5 1440 1 1 7 LYS C C -4.850 2.515 -0.061 1.00 . A A . 7 LYS C 1 1 5 1441 1 1 7 LYS CA C -6.149 1.907 0.497 1.00 . A A . 7 LYS CA 1 1 5 1442 1 1 7 LYS CB C -7.196 1.529 -0.573 1.00 . A A . 7 LYS CB 1 1 5 1443 1 1 7 LYS CD C -8.487 -0.362 0.742 1.00 . A A . 7 LYS CD 1 1 5 1444 1 1 7 LYS CE C -8.379 -1.669 -0.070 1.00 . A A . 7 LYS CE 1 1 5 1445 1 1 7 LYS CG C -8.546 0.944 -0.082 1.00 . A A . 7 LYS CG 1 1 5 1446 1 1 7 LYS H H -7.440 3.346 1.575 1.00 . A A . 7 LYS H 1 1 5 1447 1 1 7 LYS HA H -5.781 0.977 0.956 1.00 . A A . 7 LYS HA 1 1 5 1448 1 1 7 LYS HB2 H -7.394 2.422 -1.185 1.00 . A A . 7 LYS HB2 1 1 5 1449 1 1 7 LYS HB3 H -6.720 0.800 -1.256 1.00 . A A . 7 LYS HB3 1 1 5 1450 1 1 7 LYS HD2 H -7.645 -0.301 1.456 1.00 . A A . 7 LYS HD2 1 1 5 1451 1 1 7 LYS HD3 H -9.381 -0.405 1.392 1.00 . A A . 7 LYS HD3 1 1 5 1452 1 1 7 LYS HE2 H -7.572 -1.601 -0.819 1.00 . A A . 7 LYS HE2 1 1 5 1453 1 1 7 LYS HE3 H -8.093 -2.495 0.607 1.00 . A A . 7 LYS HE3 1 1 5 1454 1 1 7 LYS HG2 H -9.042 1.700 0.549 1.00 . A A . 7 LYS HG2 1 1 5 1455 1 1 7 LYS HG3 H -9.227 0.820 -0.944 1.00 . A A . 7 LYS HG3 1 1 5 1456 1 1 7 LYS HZ1 H -9.907 -1.313 -1.401 1.00 . A A . 7 LYS HZ1 1 1 5 1457 1 1 7 LYS HZ2 H -9.527 -2.932 -1.232 1.00 . A A . 7 LYS HZ2 1 1 5 1458 1 1 7 LYS HZ3 H -10.379 -2.184 -0.056 1.00 . A A . 7 LYS HZ3 1 1 5 1459 1 1 7 LYS N N -6.670 2.681 1.666 1.00 . A A . 7 LYS N 1 1 5 1460 1 1 7 LYS NZ N -9.636 -2.035 -0.747 1.00 . A A . 7 LYS NZ 1 1 5 1461 1 1 7 LYS O O -3.962 1.730 -0.400 1.00 . A A . 7 LYS O 1 1 5 1462 1 1 8 ASP C C -2.273 4.150 0.434 1.00 . A A . 8 ASP C 1 1 5 1463 1 1 8 ASP CA C -3.350 4.373 -0.734 1.00 . A A . 8 ASP CA 1 1 5 1464 1 1 8 ASP CB C -3.459 5.791 -1.312 1.00 . A A . 8 ASP CB 1 1 5 1465 1 1 8 ASP CG C -2.204 6.299 -2.035 1.00 . A A . 8 ASP CG 1 1 5 1466 1 1 8 ASP H H -5.488 4.430 -0.016 1.00 . A A . 8 ASP H 1 1 5 1467 1 1 8 ASP HA H -2.954 3.746 -1.534 1.00 . A A . 8 ASP HA 1 1 5 1468 1 1 8 ASP HB2 H -4.307 5.848 -2.026 1.00 . A A . 8 ASP HB2 1 1 5 1469 1 1 8 ASP HB3 H -3.705 6.457 -0.486 1.00 . A A . 8 ASP HB3 1 1 5 1470 1 1 8 ASP HD2 H -0.624 7.380 -1.681 1.00 . A A . 8 ASP HD2 1 1 5 1471 1 1 8 ASP N N -4.697 3.843 -0.292 1.00 . A A . 8 ASP N 1 1 5 1472 1 1 8 ASP O O -1.064 4.248 0.212 1.00 . A A . 8 ASP O 1 1 5 1473 1 1 8 ASP OD1 O -1.948 6.037 -3.210 1.00 . A A . 8 ASP OD1 1 1 5 1474 1 1 8 ASP OD2 O -1.408 7.066 -1.224 1.00 . A A . 8 ASP OD2 1 1 5 1475 1 1 9 PHE C C -1.992 1.894 2.983 1.00 . A A . 9 PHE C 1 1 5 1476 1 1 9 PHE CA C -2.059 3.478 2.862 1.00 . A A . 9 PHE CA 1 1 5 1477 1 1 9 PHE CB C -2.690 4.231 4.067 1.00 . A A . 9 PHE CB 1 1 5 1478 1 1 9 PHE CD1 C -0.759 5.347 5.298 1.00 . A A . 9 PHE CD1 1 1 5 1479 1 1 9 PHE CD2 C -2.028 3.651 6.466 1.00 . A A . 9 PHE CD2 1 1 5 1480 1 1 9 PHE CE1 C 0.045 5.523 6.431 1.00 . A A . 9 PHE CE1 1 1 5 1481 1 1 9 PHE CE2 C -1.224 3.829 7.597 1.00 . A A . 9 PHE CE2 1 1 5 1482 1 1 9 PHE CG C -1.794 4.404 5.308 1.00 . A A . 9 PHE CG 1 1 5 1483 1 1 9 PHE CZ C -0.192 4.764 7.572 1.00 . A A . 9 PHE CZ 1 1 5 1484 1 1 9 PHE H H -3.791 3.771 1.638 1.00 . A A . 9 PHE H 1 1 5 1485 1 1 9 PHE HA H -1.059 3.874 2.778 1.00 . A A . 9 PHE HA 1 1 5 1486 1 1 9 PHE HB2 H -3.037 5.238 3.761 1.00 . A A . 9 PHE HB2 1 1 5 1487 1 1 9 PHE HB3 H -3.604 3.697 4.350 1.00 . A A . 9 PHE HB3 1 1 5 1488 1 1 9 PHE HD1 H -0.605 5.930 4.395 1.00 . A A . 9 PHE HD1 1 1 5 1489 1 1 9 PHE HD2 H -2.846 2.936 6.460 1.00 . A A . 9 PHE HD2 1 1 5 1490 1 1 9 PHE HE1 H 0.859 6.241 6.466 1.00 . A A . 9 PHE HE1 1 1 5 1491 1 1 9 PHE HE2 H -1.369 3.266 8.513 1.00 . A A . 9 PHE HE2 1 1 5 1492 1 1 9 PHE HZ H 0.429 4.901 8.447 1.00 . A A . 9 PHE HZ 1 1 5 1493 1 1 9 PHE N N -2.774 3.812 1.649 1.00 . A A . 9 PHE N 1 1 5 1494 1 1 9 PHE O O -1.970 1.446 4.132 1.00 . A A . 9 PHE O 1 1 5 1495 1 1 10 ILE C C -0.329 -0.677 2.201 1.00 . A A . 10 ILE C 1 1 5 1496 1 1 10 ILE CA C -1.868 -0.487 2.048 1.00 . A A . 10 ILE CA 1 1 5 1497 1 1 10 ILE CB C -2.436 -1.367 0.898 1.00 . A A . 10 ILE CB 1 1 5 1498 1 1 10 ILE CD1 C -4.382 -1.302 -0.775 1.00 . A A . 10 ILE CD1 1 1 5 1499 1 1 10 ILE CG1 C -3.937 -1.156 0.681 1.00 . A A . 10 ILE CG1 1 1 5 1500 1 1 10 ILE CG2 C -2.160 -2.891 1.044 1.00 . A A . 10 ILE CG2 1 1 5 1501 1 1 10 ILE H H -2.606 1.269 1.106 1.00 . A A . 10 ILE H 1 1 5 1502 1 1 10 ILE HA H -2.439 -0.807 2.918 1.00 . A A . 10 ILE HA 1 1 5 1503 1 1 10 ILE HB H -1.944 -1.019 -0.002 1.00 . A A . 10 ILE HB 1 1 5 1504 1 1 10 ILE HD11 H -5.445 -1.039 -0.879 1.00 . A A . 10 ILE HD11 1 1 5 1505 1 1 10 ILE HD12 H -4.239 -2.330 -1.146 1.00 . A A . 10 ILE HD12 1 1 5 1506 1 1 10 ILE HD13 H -3.813 -0.621 -1.436 1.00 . A A . 10 ILE HD13 1 1 5 1507 1 1 10 ILE HG12 H -4.482 -1.833 1.337 1.00 . A A . 10 ILE HG12 1 1 5 1508 1 1 10 ILE HG13 H -4.208 -0.155 1.037 1.00 . A A . 10 ILE HG13 1 1 5 1509 1 1 10 ILE HG21 H -2.604 -3.303 1.971 1.00 . A A . 10 ILE HG21 1 1 5 1510 1 1 10 ILE HG22 H -1.081 -3.128 1.074 1.00 . A A . 10 ILE HG22 1 1 5 1511 1 1 10 ILE HG23 H -2.574 -3.473 0.199 1.00 . A A . 10 ILE HG23 1 1 5 1512 1 1 10 ILE N N -2.010 1.011 1.899 1.00 . A A . 10 ILE N 1 1 5 1513 1 1 10 ILE O O 0.410 -1.082 1.297 1.00 . A A . 10 ILE O 1 1 5 1514 1 1 11 ASN C C 2.480 0.456 2.920 1.00 . A A . 11 ASN C 1 1 5 1515 1 1 11 ASN CA C 1.494 -0.336 3.889 1.00 . A A . 11 ASN CA 1 1 5 1516 1 1 11 ASN CB C 1.822 -1.806 4.220 1.00 . A A . 11 ASN CB 1 1 5 1517 1 1 11 ASN CG C 3.096 -2.061 5.043 1.00 . A A . 11 ASN CG 1 1 5 1518 1 1 11 ASN H H -0.764 -0.013 3.911 1.00 . A A . 11 ASN H 1 1 5 1519 1 1 11 ASN HA H 1.530 0.131 4.887 1.00 . A A . 11 ASN HA 1 1 5 1520 1 1 11 ASN HB2 H 0.946 -2.249 4.742 1.00 . A A . 11 ASN HB2 1 1 5 1521 1 1 11 ASN HB3 H 1.881 -2.335 3.269 1.00 . A A . 11 ASN HB3 1 1 5 1522 1 1 11 ASN HD21 H 3.852 -2.240 6.894 1.00 . A A . 11 ASN HD21 1 1 5 1523 1 1 11 ASN HD22 H 2.055 -1.900 6.746 1.00 . A A . 11 ASN HD22 1 1 5 1524 1 1 11 ASN N N 0.089 -0.310 3.412 1.00 . A A . 11 ASN N 1 1 5 1525 1 1 11 ASN ND2 N 2.990 -2.070 6.363 1.00 . A A . 11 ASN ND2 1 1 5 1526 1 1 11 ASN O O 3.669 0.128 2.906 1.00 . A A . 11 ASN O 1 1 5 1527 1 1 11 ASN OD1 O 4.181 -2.251 4.501 1.00 . A A . 11 ASN OD1 1 1 5 1528 1 1 12 ASN C C 3.398 1.365 0.032 1.00 . A A . 12 ASN C 1 1 5 1529 1 1 12 ASN CA C 2.899 2.275 1.194 1.00 . A A . 12 ASN CA 1 1 5 1530 1 1 12 ASN CB C 3.907 3.150 1.961 1.00 . A A . 12 ASN CB 1 1 5 1531 1 1 12 ASN CG C 4.823 4.055 1.126 1.00 . A A . 12 ASN CG 1 1 5 1532 1 1 12 ASN H H 1.027 1.658 1.976 1.00 . A A . 12 ASN H 1 1 5 1533 1 1 12 ASN HA H 2.263 3.029 0.731 1.00 . A A . 12 ASN HA 1 1 5 1534 1 1 12 ASN HB2 H 3.351 3.744 2.716 1.00 . A A . 12 ASN HB2 1 1 5 1535 1 1 12 ASN HB3 H 4.517 2.521 2.573 1.00 . A A . 12 ASN HB3 1 1 5 1536 1 1 12 ASN HD21 H 5.023 6.024 0.737 1.00 . A A . 12 ASN HD21 1 1 5 1537 1 1 12 ASN HD22 H 3.625 5.332 1.755 1.00 . A A . 12 ASN HD22 1 1 5 1538 1 1 12 ASN N N 2.037 1.502 2.130 1.00 . A A . 12 ASN N 1 1 5 1539 1 1 12 ASN ND2 N 4.395 5.288 1.081 1.00 . A A . 12 ASN ND2 1 1 5 1540 1 1 12 ASN O O 4.600 1.168 -0.140 1.00 . A A . 12 ASN O 1 1 5 1541 1 1 12 ASN OD1 O 5.865 3.683 0.588 1.00 . A A . 12 ASN OD1 1 1 5 1542 1 1 13 LYS C C 3.446 -1.403 -1.549 1.00 . A A . 13 LYS C 1 1 5 1543 1 1 13 LYS CA C 2.713 -0.080 -1.918 1.00 . A A . 13 LYS CA 1 1 5 1544 1 1 13 LYS CB C 3.316 0.685 -3.137 1.00 . A A . 13 LYS CB 1 1 5 1545 1 1 13 LYS CD C 1.091 1.876 -3.876 1.00 . A A . 13 LYS CD 1 1 5 1546 1 1 13 LYS CE C 0.211 2.755 -2.968 1.00 . A A . 13 LYS CE 1 1 5 1547 1 1 13 LYS CG C 2.611 1.989 -3.593 1.00 . A A . 13 LYS CG 1 1 5 1548 1 1 13 LYS H H 1.475 1.062 -0.539 1.00 . A A . 13 LYS H 1 1 5 1549 1 1 13 LYS HA H 1.729 -0.427 -2.232 1.00 . A A . 13 LYS HA 1 1 5 1550 1 1 13 LYS HB2 H 4.375 0.925 -2.927 1.00 . A A . 13 LYS HB2 1 1 5 1551 1 1 13 LYS HB3 H 3.348 -0.004 -4.001 1.00 . A A . 13 LYS HB3 1 1 5 1552 1 1 13 LYS HD2 H 0.912 2.146 -4.930 1.00 . A A . 13 LYS HD2 1 1 5 1553 1 1 13 LYS HD3 H 0.760 0.822 -3.790 1.00 . A A . 13 LYS HD3 1 1 5 1554 1 1 13 LYS HE2 H 0.354 2.479 -1.907 1.00 . A A . 13 LYS HE2 1 1 5 1555 1 1 13 LYS HE3 H 0.501 3.817 -3.057 1.00 . A A . 13 LYS HE3 1 1 5 1556 1 1 13 LYS HG2 H 2.811 2.782 -2.850 1.00 . A A . 13 LYS HG2 1 1 5 1557 1 1 13 LYS HG3 H 3.117 2.351 -4.508 1.00 . A A . 13 LYS HG3 1 1 5 1558 1 1 13 LYS HZ1 H -1.374 2.891 -4.269 1.00 . A A . 13 LYS HZ1 1 1 5 1559 1 1 13 LYS HZ2 H -1.787 3.178 -2.674 1.00 . A A . 13 LYS HZ2 1 1 5 1560 1 1 13 LYS HZ3 H -1.517 1.643 -3.167 1.00 . A A . 13 LYS HZ3 1 1 5 1561 1 1 13 LYS N N 2.447 0.821 -0.762 1.00 . A A . 13 LYS N 1 1 5 1562 1 1 13 LYS NZ N -1.214 2.613 -3.311 1.00 . A A . 13 LYS NZ 1 1 5 1563 1 1 13 LYS O O 4.376 -1.816 -2.246 1.00 . A A . 13 LYS O 1 1 5 1564 1 1 14 HIS C C 5.089 -3.183 0.309 1.00 . A A . 14 HIS C 1 1 5 1565 1 1 14 HIS CA C 3.566 -3.384 0.024 1.00 . A A . 14 HIS CA 1 1 5 1566 1 1 14 HIS CB C 3.211 -4.587 -0.889 1.00 . A A . 14 HIS CB 1 1 5 1567 1 1 14 HIS CD2 C 4.297 -6.948 -0.680 1.00 . A A . 14 HIS CD2 1 1 5 1568 1 1 14 HIS CE1 C 3.531 -7.486 1.203 1.00 . A A . 14 HIS CE1 1 1 5 1569 1 1 14 HIS CG C 3.467 -5.922 -0.196 1.00 . A A . 14 HIS CG 1 1 5 1570 1 1 14 HIS H H 2.190 -1.638 0.000 1.00 . A A . 14 HIS H 1 1 5 1571 1 1 14 HIS HA H 3.081 -3.582 0.992 1.00 . A A . 14 HIS HA 1 1 5 1572 1 1 14 HIS HB2 H 2.144 -4.548 -1.178 1.00 . A A . 14 HIS HB2 1 1 5 1573 1 1 14 HIS HB3 H 3.771 -4.525 -1.844 1.00 . A A . 14 HIS HB3 1 1 5 1574 1 1 14 HIS HD2 H 4.839 -6.925 -1.615 1.00 . A A . 14 HIS HD2 1 1 5 1575 1 1 14 HIS HE1 H 3.349 -8.060 2.101 1.00 . A A . 14 HIS HE1 1 1 5 1576 1 1 14 HIS HE2 H 4.867 -8.872 0.189 1.00 . A A . 14 HIS HE2 1 1 5 1577 1 1 14 HIS N N 2.974 -2.100 -0.479 1.00 . A A . 14 HIS N 1 1 5 1578 1 1 14 HIS ND1 N 2.948 -6.251 1.052 1.00 . A A . 14 HIS ND1 1 1 5 1579 1 1 14 HIS NE2 N 4.349 -7.988 0.226 1.00 . A A . 14 HIS NE2 1 1 5 1580 1 1 14 HIS O O 5.941 -3.805 -0.335 1.00 . A A . 14 HIS O 1 1 5 1581 1 1 15 LEU C C 7.598 -1.336 0.442 1.00 . A A . 15 LEU C 1 1 5 1582 1 1 15 LEU CA C 6.808 -1.948 1.665 1.00 . A A . 15 LEU CA 1 1 5 1583 1 1 15 LEU CB C 7.572 -3.119 2.369 1.00 . A A . 15 LEU CB 1 1 5 1584 1 1 15 LEU CD1 C 5.884 -4.838 3.354 1.00 . A A . 15 LEU CD1 1 1 5 1585 1 1 15 LEU CD2 C 8.151 -4.560 4.369 1.00 . A A . 15 LEU CD2 1 1 5 1586 1 1 15 LEU CG C 6.999 -3.791 3.663 1.00 . A A . 15 LEU CG 1 1 5 1587 1 1 15 LEU H H 4.620 -1.884 1.787 1.00 . A A . 15 LEU H 1 1 5 1588 1 1 15 LEU HA H 6.733 -1.111 2.376 1.00 . A A . 15 LEU HA 1 1 5 1589 1 1 15 LEU HB2 H 7.790 -3.904 1.617 1.00 . A A . 15 LEU HB2 1 1 5 1590 1 1 15 LEU HB3 H 8.570 -2.710 2.615 1.00 . A A . 15 LEU HB3 1 1 5 1591 1 1 15 LEU HD11 H 4.962 -4.393 2.937 1.00 . A A . 15 LEU HD11 1 1 5 1592 1 1 15 LEU HD12 H 6.208 -5.605 2.618 1.00 . A A . 15 LEU HD12 1 1 5 1593 1 1 15 LEU HD13 H 5.559 -5.402 4.250 1.00 . A A . 15 LEU HD13 1 1 5 1594 1 1 15 LEU HD21 H 8.600 -5.345 3.724 1.00 . A A . 15 LEU HD21 1 1 5 1595 1 1 15 LEU HD22 H 8.987 -3.898 4.661 1.00 . A A . 15 LEU HD22 1 1 5 1596 1 1 15 LEU HD23 H 7.827 -5.077 5.294 1.00 . A A . 15 LEU HD23 1 1 5 1597 1 1 15 LEU HG H 6.608 -2.983 4.353 1.00 . A A . 15 LEU HG 1 1 5 1598 1 1 15 LEU N N 5.410 -2.289 1.276 1.00 . A A . 15 LEU N 1 1 5 1599 1 1 15 LEU O O 8.798 -1.590 0.293 1.00 . A A . 15 LEU O 1 1 5 1600 1 1 16 ASN C C 8.149 -0.953 -2.576 1.00 . A A . 16 ASN C 1 1 5 1601 1 1 16 ASN CA C 7.541 0.130 -1.625 1.00 . A A . 16 ASN CA 1 1 5 1602 1 1 16 ASN CB C 8.400 1.330 -1.201 1.00 . A A . 16 ASN CB 1 1 5 1603 1 1 16 ASN CG C 8.910 2.228 -2.333 1.00 . A A . 16 ASN CG 1 1 5 1604 1 1 16 ASN H H 5.954 -0.287 -0.201 1.00 . A A . 16 ASN H 1 1 5 1605 1 1 16 ASN HA H 6.727 0.625 -2.166 1.00 . A A . 16 ASN HA 1 1 5 1606 1 1 16 ASN HB2 H 7.805 1.908 -0.459 1.00 . A A . 16 ASN HB2 1 1 5 1607 1 1 16 ASN HB3 H 9.242 1.001 -0.627 1.00 . A A . 16 ASN HB3 1 1 5 1608 1 1 16 ASN HD21 H 8.561 4.085 -3.043 1.00 . A A . 16 ASN HD21 1 1 5 1609 1 1 16 ASN HD22 H 7.563 3.330 -1.661 1.00 . A A . 16 ASN HD22 1 1 5 1610 1 1 16 ASN N N 6.937 -0.507 -0.421 1.00 . A A . 16 ASN N 1 1 5 1611 1 1 16 ASN ND2 N 8.208 3.320 -2.458 1.00 . A A . 16 ASN ND2 1 1 5 1612 1 1 16 ASN O O 9.359 -0.993 -2.821 1.00 . A A . 16 ASN O 1 1 5 1613 1 1 16 ASN OD1 O 9.889 1.967 -3.033 1.00 . A A . 16 ASN OD1 1 1 5 1614 1 1 17 GLU C C 8.721 -3.915 -3.436 1.00 . A A . 17 GLU C 1 1 5 1615 1 1 17 GLU CA C 7.569 -2.992 -3.943 1.00 . A A . 17 GLU CA 1 1 5 1616 1 1 17 GLU CB C 7.621 -2.527 -5.401 1.00 . A A . 17 GLU CB 1 1 5 1617 1 1 17 GLU CD C 6.359 -1.451 -7.366 1.00 . A A . 17 GLU CD 1 1 5 1618 1 1 17 GLU CG C 6.314 -1.876 -5.900 1.00 . A A . 17 GLU CG 1 1 5 1619 1 1 17 GLU H H 6.285 -1.586 -3.103 1.00 . A A . 17 GLU H 1 1 5 1620 1 1 17 GLU HA H 6.652 -3.589 -3.946 1.00 . A A . 17 GLU HA 1 1 5 1621 1 1 17 GLU HB2 H 8.484 -1.868 -5.533 1.00 . A A . 17 GLU HB2 1 1 5 1622 1 1 17 GLU HB3 H 7.798 -3.419 -5.999 1.00 . A A . 17 GLU HB3 1 1 5 1623 1 1 17 GLU HE2 H 6.008 -2.192 -9.132 1.00 . A A . 17 GLU HE2 1 1 5 1624 1 1 17 GLU HG2 H 5.464 -2.554 -5.708 1.00 . A A . 17 GLU HG2 1 1 5 1625 1 1 17 GLU HG3 H 6.091 -1.009 -5.260 1.00 . A A . 17 GLU HG3 1 1 5 1626 1 1 17 GLU N N 7.265 -1.867 -3.045 1.00 . A A . 17 GLU N 1 1 5 1627 1 1 17 GLU O O 9.786 -4.000 -4.053 1.00 . A A . 17 GLU O 1 1 5 1628 1 1 17 GLU OE1 O 6.698 -0.327 -7.737 1.00 . A A . 17 GLU OE1 1 1 5 1629 1 1 17 GLU OE2 O 5.979 -2.463 -8.211 1.00 . A A . 17 GLU OE2 1 1 5 1630 1 1 18 HIS C C 10.788 -4.836 -1.252 1.00 . A A . 18 HIS C 1 1 5 1631 1 1 18 HIS CA C 9.418 -5.504 -1.597 1.00 . A A . 18 HIS CA 1 1 5 1632 1 1 18 HIS CB C 9.469 -6.834 -2.383 1.00 . A A . 18 HIS CB 1 1 5 1633 1 1 18 HIS CD2 C 10.237 -9.274 -2.226 1.00 . A A . 18 HIS CD2 1 1 5 1634 1 1 18 HIS CE1 C 10.890 -9.337 -0.230 1.00 . A A . 18 HIS CE1 1 1 5 1635 1 1 18 HIS CG C 10.087 -8.011 -1.642 1.00 . A A . 18 HIS CG 1 1 5 1636 1 1 18 HIS H H 7.510 -4.518 -1.946 1.00 . A A . 18 HIS H 1 1 5 1637 1 1 18 HIS HA H 8.937 -5.766 -0.635 1.00 . A A . 18 HIS HA 1 1 5 1638 1 1 18 HIS HB2 H 8.441 -7.135 -2.659 1.00 . A A . 18 HIS HB2 1 1 5 1639 1 1 18 HIS HB3 H 9.981 -6.679 -3.348 1.00 . A A . 18 HIS HB3 1 1 5 1640 1 1 18 HIS HD2 H 9.933 -9.503 -3.237 1.00 . A A . 18 HIS HD2 1 1 5 1641 1 1 18 HIS HE1 H 11.281 -9.725 0.700 1.00 . A A . 18 HIS HE1 1 1 5 1642 1 1 18 HIS HE2 H 10.987 -11.161 -1.417 1.00 . A A . 18 HIS HE2 1 1 5 1643 1 1 18 HIS N N 8.476 -4.574 -2.276 1.00 . A A . 18 HIS N 1 1 5 1644 1 1 18 HIS ND1 N 10.499 -8.021 -0.316 1.00 . A A . 18 HIS ND1 1 1 5 1645 1 1 18 HIS NE2 N 10.773 -10.164 -1.318 1.00 . A A . 18 HIS NE2 1 1 5 1646 1 1 18 HIS O O 11.782 -5.025 -1.960 1.00 . A A . 18 HIS O 1 1 5 1647 1 1 19 ALA C C 11.778 -2.954 1.804 1.00 . A A . 19 ALA C 1 1 5 1648 1 1 19 ALA CA C 12.001 -3.325 0.315 1.00 . A A . 19 ALA CA 1 1 5 1649 1 1 19 ALA CB C 12.316 -2.084 -0.553 1.00 . A A . 19 ALA CB 1 1 5 1650 1 1 19 ALA H H 9.951 -4.061 0.401 1.00 . A A . 19 ALA H 1 1 5 1651 1 1 19 ALA HA H 12.852 -4.020 0.238 1.00 . A A . 19 ALA HA 1 1 5 1652 1 1 19 ALA HB1 H 11.486 -1.353 -0.562 1.00 . A A . 19 ALA HB1 1 1 5 1653 1 1 19 ALA HB2 H 12.519 -2.360 -1.605 1.00 . A A . 19 ALA HB2 1 1 5 1654 1 1 19 ALA HB3 H 13.215 -1.554 -0.186 1.00 . A A . 19 ALA HB3 1 1 5 1655 1 1 19 ALA N N 10.799 -4.038 -0.167 1.00 . A A . 19 ALA N 1 1 5 1656 1 1 19 ALA O O 11.169 -1.923 2.121 1.00 . A A . 19 ALA O 1 1 5 1657 1 1 20 HIS C C 13.322 -2.699 4.705 1.00 . A A . 20 HIS C 1 1 5 1658 1 1 20 HIS CA C 12.168 -3.600 4.182 1.00 . A A . 20 HIS CA 1 1 5 1659 1 1 20 HIS CB C 12.113 -4.985 4.878 1.00 . A A . 20 HIS CB 1 1 5 1660 1 1 20 HIS CD2 C 11.437 -6.089 7.091 1.00 . A A . 20 HIS CD2 1 1 5 1661 1 1 20 HIS CE1 C 10.592 -4.445 8.089 1.00 . A A . 20 HIS CE1 1 1 5 1662 1 1 20 HIS CG C 11.549 -4.947 6.291 1.00 . A A . 20 HIS CG 1 1 5 1663 1 1 20 HIS H H 12.646 -4.682 2.352 1.00 . A A . 20 HIS H 1 1 5 1664 1 1 20 HIS HXT H 13.822 -0.989 5.497 1.00 . A A . 20 HIS HXT 1 1 5 1665 1 1 20 HIS HA H 11.189 -3.135 4.366 1.00 . A A . 20 HIS HA 1 1 5 1666 1 1 20 HIS HB2 H 11.473 -5.686 4.307 1.00 . A A . 20 HIS HB2 1 1 5 1667 1 1 20 HIS HB3 H 13.112 -5.461 4.892 1.00 . A A . 20 HIS HB3 1 1 5 1668 1 1 20 HIS HD2 H 11.757 -7.072 6.779 1.00 . A A . 20 HIS HD2 1 1 5 1669 1 1 20 HIS HE1 H 10.091 -3.865 8.851 1.00 . A A . 20 HIS HE1 1 1 5 1670 1 1 20 HIS HE2 H 10.562 -6.386 9.073 1.00 . A A . 20 HIS HE2 1 1 5 1671 1 1 20 HIS N N 12.290 -3.801 2.720 1.00 . A A . 20 HIS N 1 1 5 1672 1 1 20 HIS ND1 N 10.990 -3.840 6.919 1.00 . A A . 20 HIS ND1 1 1 5 1673 1 1 20 HIS NE2 N 10.818 -5.781 8.286 1.00 . A A . 20 HIS NE2 1 1 5 1674 1 1 20 HIS O O 14.499 -3.068 4.689 1.00 . A A . 20 HIS O 1 1 5 1675 1 1 20 HIS OXT O 13.015 -1.424 5.215 1.00 . A A . 20 HIS OXT 1 1 6 1676 1 1 1 SER C C -2.306 13.128 -3.444 1.00 . A A . 1 SER C 1 1 6 1677 1 1 1 SER CA C -3.586 13.721 -2.758 1.00 . A A . 1 SER CA 1 1 6 1678 1 1 1 SER CB C -3.894 15.174 -3.157 1.00 . A A . 1 SER CB 1 1 6 1679 1 1 1 SER H1 H -4.326 14.374 -1.256 1.00 . A A . 1 SER H1 1 1 6 1680 1 1 1 SER H2 H -4.231 13.027 -0.789 1.00 . A A . 1 SER H2 1 1 6 1681 1 1 1 SER H3 H -2.987 14.273 -0.764 1.00 . A A . 1 SER H3 1 1 6 1682 1 1 1 SER HA H -4.430 13.164 -3.127 1.00 . A A . 1 SER HA 1 1 6 1683 1 1 1 SER HB2 H -4.725 15.598 -2.558 1.00 . A A . 1 SER HB2 1 1 6 1684 1 1 1 SER HB3 H -3.006 15.781 -2.957 1.00 . A A . 1 SER HB3 1 1 6 1685 1 1 1 SER HG H -3.481 14.928 -5.020 1.00 . A A . 1 SER HG 1 1 6 1686 1 1 1 SER N N -3.611 13.661 -1.273 1.00 . A A . 1 SER N 1 1 6 1687 1 1 1 SER O O -1.892 13.568 -4.522 1.00 . A A . 1 SER O 1 1 6 1688 1 1 1 SER OG O -4.235 15.271 -4.535 1.00 . A A . 1 SER OG 1 1 6 1689 1 1 2 ASP C C -0.501 10.063 -2.479 1.00 . A A . 2 ASP C 1 1 6 1690 1 1 2 ASP CA C -0.520 11.377 -3.310 1.00 . A A . 2 ASP CA 1 1 6 1691 1 1 2 ASP CB C 0.782 12.231 -3.163 1.00 . A A . 2 ASP CB 1 1 6 1692 1 1 2 ASP CG C 1.978 11.654 -3.932 1.00 . A A . 2 ASP CG 1 1 6 1693 1 1 2 ASP H H -2.217 11.782 -1.997 1.00 . A A . 2 ASP H 1 1 6 1694 1 1 2 ASP HA H -0.713 11.112 -4.369 1.00 . A A . 2 ASP HA 1 1 6 1695 1 1 2 ASP HB2 H 0.627 13.278 -3.495 1.00 . A A . 2 ASP HB2 1 1 6 1696 1 1 2 ASP HB3 H 1.049 12.343 -2.094 1.00 . A A . 2 ASP HB3 1 1 6 1697 1 1 2 ASP HD2 H 3.500 10.476 -3.637 1.00 . A A . 2 ASP HD2 1 1 6 1698 1 1 2 ASP N N -1.704 12.106 -2.816 1.00 . A A . 2 ASP N 1 1 6 1699 1 1 2 ASP O O 0.242 9.939 -1.495 1.00 . A A . 2 ASP O 1 1 6 1700 1 1 2 ASP OD1 O 2.203 11.901 -5.116 1.00 . A A . 2 ASP OD1 1 1 6 1701 1 1 2 ASP OD2 O 2.754 10.835 -3.151 1.00 . A A . 2 ASP OD2 1 1 6 1702 1 1 3 THR C C -0.120 6.875 -2.122 1.00 . A A . 3 THR C 1 1 6 1703 1 1 3 THR CA C -1.405 7.753 -2.238 1.00 . A A . 3 THR CA 1 1 6 1704 1 1 3 THR CB C -2.652 7.031 -2.807 1.00 . A A . 3 THR CB 1 1 6 1705 1 1 3 THR CG2 C -3.331 6.214 -1.715 1.00 . A A . 3 THR CG2 1 1 6 1706 1 1 3 THR H H -2.144 9.295 -3.426 1.00 . A A . 3 THR H 1 1 6 1707 1 1 3 THR HA H -1.659 7.990 -1.203 1.00 . A A . 3 THR HA 1 1 6 1708 1 1 3 THR HB H -2.302 6.402 -3.625 1.00 . A A . 3 THR HB 1 1 6 1709 1 1 3 THR HG1 H -4.368 7.305 -3.651 1.00 . A A . 3 THR HG1 1 1 6 1710 1 1 3 THR HG21 H -4.211 5.692 -2.118 1.00 . A A . 3 THR HG21 1 1 6 1711 1 1 3 THR HG22 H -3.670 6.891 -0.906 1.00 . A A . 3 THR HG22 1 1 6 1712 1 1 3 THR HG23 H -2.633 5.485 -1.274 1.00 . A A . 3 THR HG23 1 1 6 1713 1 1 3 THR N N -1.295 9.060 -2.907 1.00 . A A . 3 THR N 1 1 6 1714 1 1 3 THR O O -0.066 6.029 -1.224 1.00 . A A . 3 THR O 1 1 6 1715 1 1 3 THR OG1 O -3.677 7.887 -3.326 1.00 . A A . 3 THR OG1 1 1 6 1716 1 1 4 ARG C C 2.903 6.585 -1.557 1.00 . A A . 4 ARG C 1 1 6 1717 1 1 4 ARG CA C 2.195 6.328 -2.923 1.00 . A A . 4 ARG CA 1 1 6 1718 1 1 4 ARG CB C 3.136 6.712 -4.110 1.00 . A A . 4 ARG CB 1 1 6 1719 1 1 4 ARG CD C 2.030 5.245 -5.982 1.00 . A A . 4 ARG CD 1 1 6 1720 1 1 4 ARG CG C 2.555 6.646 -5.547 1.00 . A A . 4 ARG CG 1 1 6 1721 1 1 4 ARG CZ C 0.034 5.510 -7.489 1.00 . A A . 4 ARG CZ 1 1 6 1722 1 1 4 ARG H H 0.720 7.714 -3.758 1.00 . A A . 4 ARG H 1 1 6 1723 1 1 4 ARG HA H 1.932 5.258 -2.963 1.00 . A A . 4 ARG HA 1 1 6 1724 1 1 4 ARG HB2 H 3.514 7.745 -3.963 1.00 . A A . 4 ARG HB2 1 1 6 1725 1 1 4 ARG HB3 H 4.054 6.094 -4.075 1.00 . A A . 4 ARG HB3 1 1 6 1726 1 1 4 ARG HD2 H 2.857 4.511 -6.046 1.00 . A A . 4 ARG HD2 1 1 6 1727 1 1 4 ARG HD3 H 1.351 4.799 -5.226 1.00 . A A . 4 ARG HD3 1 1 6 1728 1 1 4 ARG HE H 1.925 5.154 -8.123 1.00 . A A . 4 ARG HE 1 1 6 1729 1 1 4 ARG HG2 H 1.760 7.417 -5.634 1.00 . A A . 4 ARG HG2 1 1 6 1730 1 1 4 ARG HG3 H 3.329 7.013 -6.252 1.00 . A A . 4 ARG HG3 1 1 6 1731 1 1 4 ARG HH11 H 0.264 5.354 -9.472 1.00 . A A . 4 ARG HH11 1 1 6 1732 1 1 4 ARG HH12 H -1.428 5.682 -8.845 1.00 . A A . 4 ARG HH12 1 1 6 1733 1 1 4 ARG HH21 H -1.812 5.873 -6.774 1.00 . A A . 4 ARG HH21 1 1 6 1734 1 1 4 ARG HH22 H -0.457 5.712 -5.547 1.00 . A A . 4 ARG HH22 1 1 6 1735 1 1 4 ARG N N 0.903 7.071 -2.986 1.00 . A A . 4 ARG N 1 1 6 1736 1 1 4 ARG NE N 1.354 5.294 -7.302 1.00 . A A . 4 ARG NE 1 1 6 1737 1 1 4 ARG NH1 N -0.423 5.516 -8.728 1.00 . A A . 4 ARG NH1 1 1 6 1738 1 1 4 ARG NH2 N -0.836 5.719 -6.500 1.00 . A A . 4 ARG NH2 1 1 6 1739 1 1 4 ARG O O 3.238 5.634 -0.849 1.00 . A A . 4 ARG O 1 1 6 1740 1 1 5 TYR C C 2.691 8.175 1.306 1.00 . A A . 5 TYR C 1 1 6 1741 1 1 5 TYR CA C 3.680 8.308 0.082 1.00 . A A . 5 TYR CA 1 1 6 1742 1 1 5 TYR CB C 4.325 9.715 -0.023 1.00 . A A . 5 TYR CB 1 1 6 1743 1 1 5 TYR CD1 C 6.562 9.606 1.202 1.00 . A A . 5 TYR CD1 1 1 6 1744 1 1 5 TYR CD2 C 4.815 10.984 2.141 1.00 . A A . 5 TYR CD2 1 1 6 1745 1 1 5 TYR CE1 C 7.405 9.959 2.252 1.00 . A A . 5 TYR CE1 1 1 6 1746 1 1 5 TYR CE2 C 5.659 11.336 3.192 1.00 . A A . 5 TYR CE2 1 1 6 1747 1 1 5 TYR CG C 5.259 10.113 1.139 1.00 . A A . 5 TYR CG 1 1 6 1748 1 1 5 TYR CZ C 6.954 10.824 3.247 1.00 . A A . 5 TYR CZ 1 1 6 1749 1 1 5 TYR H H 2.679 8.521 -1.885 1.00 . A A . 5 TYR H 1 1 6 1750 1 1 5 TYR HA H 4.524 7.652 0.249 1.00 . A A . 5 TYR HA 1 1 6 1751 1 1 5 TYR HB2 H 4.910 9.815 -0.959 1.00 . A A . 5 TYR HB2 1 1 6 1752 1 1 5 TYR HB3 H 3.514 10.443 -0.115 1.00 . A A . 5 TYR HB3 1 1 6 1753 1 1 5 TYR HD1 H 6.925 8.931 0.439 1.00 . A A . 5 TYR HD1 1 1 6 1754 1 1 5 TYR HD2 H 3.812 11.385 2.114 1.00 . A A . 5 TYR HD2 1 1 6 1755 1 1 5 TYR HE1 H 8.409 9.561 2.294 1.00 . A A . 5 TYR HE1 1 1 6 1756 1 1 5 TYR HE2 H 5.306 12.006 3.962 1.00 . A A . 5 TYR HE2 1 1 6 1757 1 1 5 TYR HH H 7.318 11.769 4.871 1.00 . A A . 5 TYR HH 1 1 6 1758 1 1 5 TYR N N 3.084 7.876 -1.209 1.00 . A A . 5 TYR N 1 1 6 1759 1 1 5 TYR O O 3.170 8.020 2.435 1.00 . A A . 5 TYR O 1 1 6 1760 1 1 5 TYR OH O 7.785 11.173 4.283 1.00 . A A . 5 TYR OH 1 1 6 1761 1 1 6 ASN C C 0.209 6.676 2.852 1.00 . A A . 6 ASN C 1 1 6 1762 1 1 6 ASN CA C 0.338 8.061 2.184 1.00 . A A . 6 ASN CA 1 1 6 1763 1 1 6 ASN CB C -1.136 8.295 1.685 1.00 . A A . 6 ASN CB 1 1 6 1764 1 1 6 ASN CG C -1.570 9.682 1.147 1.00 . A A . 6 ASN CG 1 1 6 1765 1 1 6 ASN H H 1.057 8.194 0.134 1.00 . A A . 6 ASN H 1 1 6 1766 1 1 6 ASN HA H 0.552 8.816 2.943 1.00 . A A . 6 ASN HA 1 1 6 1767 1 1 6 ASN HB2 H -1.401 7.488 0.964 1.00 . A A . 6 ASN HB2 1 1 6 1768 1 1 6 ASN HB3 H -1.850 8.066 2.512 1.00 . A A . 6 ASN HB3 1 1 6 1769 1 1 6 ASN HD21 H -1.360 11.676 1.252 1.00 . A A . 6 ASN HD21 1 1 6 1770 1 1 6 ASN HD22 H -0.287 10.660 2.340 1.00 . A A . 6 ASN HD22 1 1 6 1771 1 1 6 ASN N N 1.349 8.223 1.107 1.00 . A A . 6 ASN N 1 1 6 1772 1 1 6 ASN ND2 N -1.015 10.786 1.629 1.00 . A A . 6 ASN ND2 1 1 6 1773 1 1 6 ASN O O -0.432 6.640 3.908 1.00 . A A . 6 ASN O 1 1 6 1774 1 1 6 ASN OD1 O -2.467 9.777 0.310 1.00 . A A . 6 ASN OD1 1 1 6 1775 1 1 7 LYS C C -0.734 3.810 2.297 1.00 . A A . 7 LYS C 1 1 6 1776 1 1 7 LYS CA C 0.647 4.202 2.883 1.00 . A A . 7 LYS CA 1 1 6 1777 1 1 7 LYS CB C 0.763 4.080 4.437 1.00 . A A . 7 LYS CB 1 1 6 1778 1 1 7 LYS CD C 3.329 4.395 4.936 1.00 . A A . 7 LYS CD 1 1 6 1779 1 1 7 LYS CE C 3.704 3.099 5.677 1.00 . A A . 7 LYS CE 1 1 6 1780 1 1 7 LYS CG C 1.889 4.883 5.144 1.00 . A A . 7 LYS CG 1 1 6 1781 1 1 7 LYS H H 1.505 5.751 1.621 1.00 . A A . 7 LYS H 1 1 6 1782 1 1 7 LYS HA H 1.362 3.420 2.544 1.00 . A A . 7 LYS HA 1 1 6 1783 1 1 7 LYS HB2 H -0.187 4.410 4.888 1.00 . A A . 7 LYS HB2 1 1 6 1784 1 1 7 LYS HB3 H 0.843 3.013 4.693 1.00 . A A . 7 LYS HB3 1 1 6 1785 1 1 7 LYS HD2 H 3.474 4.265 3.851 1.00 . A A . 7 LYS HD2 1 1 6 1786 1 1 7 LYS HD3 H 4.036 5.201 5.214 1.00 . A A . 7 LYS HD3 1 1 6 1787 1 1 7 LYS HE2 H 2.932 2.329 5.500 1.00 . A A . 7 LYS HE2 1 1 6 1788 1 1 7 LYS HE3 H 4.639 2.694 5.252 1.00 . A A . 7 LYS HE3 1 1 6 1789 1 1 7 LYS HG2 H 1.856 5.936 4.814 1.00 . A A . 7 LYS HG2 1 1 6 1790 1 1 7 LYS HG3 H 1.666 4.931 6.222 1.00 . A A . 7 LYS HG3 1 1 6 1791 1 1 7 LYS HZ1 H 3.031 3.619 7.550 1.00 . A A . 7 LYS HZ1 1 1 6 1792 1 1 7 LYS HZ2 H 4.653 3.940 7.307 1.00 . A A . 7 LYS HZ2 1 1 6 1793 1 1 7 LYS HZ3 H 4.172 2.398 7.562 1.00 . A A . 7 LYS HZ3 1 1 6 1794 1 1 7 LYS N N 0.770 5.564 2.296 1.00 . A A . 7 LYS N 1 1 6 1795 1 1 7 LYS NZ N 3.885 3.283 7.130 1.00 . A A . 7 LYS NZ 1 1 6 1796 1 1 7 LYS O O -1.728 4.283 2.872 1.00 . A A . 7 LYS O 1 1 6 1797 1 1 8 ASP C C -2.838 1.468 1.570 1.00 . A A . 8 ASP C 1 1 6 1798 1 1 8 ASP CA C -2.273 2.666 0.673 1.00 . A A . 8 ASP CA 1 1 6 1799 1 1 8 ASP CB C -2.236 2.353 -0.832 1.00 . A A . 8 ASP CB 1 1 6 1800 1 1 8 ASP CG C -3.577 2.065 -1.526 1.00 . A A . 8 ASP CG 1 1 6 1801 1 1 8 ASP H H -0.093 2.706 0.640 1.00 . A A . 8 ASP H 1 1 6 1802 1 1 8 ASP HA H -2.900 3.542 0.752 1.00 . A A . 8 ASP HA 1 1 6 1803 1 1 8 ASP HB2 H -1.751 3.184 -1.382 1.00 . A A . 8 ASP HB2 1 1 6 1804 1 1 8 ASP HB3 H -1.592 1.476 -0.946 1.00 . A A . 8 ASP HB3 1 1 6 1805 1 1 8 ASP HD2 H -5.282 2.931 -1.883 1.00 . A A . 8 ASP HD2 1 1 6 1806 1 1 8 ASP N N -0.894 3.077 1.140 1.00 . A A . 8 ASP N 1 1 6 1807 1 1 8 ASP O O -3.505 0.520 1.149 1.00 . A A . 8 ASP O 1 1 6 1808 1 1 8 ASP OD1 O -3.830 0.998 -2.085 1.00 . A A . 8 ASP OD1 1 1 6 1809 1 1 8 ASP OD2 O -4.448 3.120 -1.447 1.00 . A A . 8 ASP OD2 1 1 6 1810 1 1 9 PHE C C -1.910 -0.461 4.017 1.00 . A A . 9 PHE C 1 1 6 1811 1 1 9 PHE CA C -2.711 0.894 4.058 1.00 . A A . 9 PHE CA 1 1 6 1812 1 1 9 PHE CB C -4.198 0.916 4.431 1.00 . A A . 9 PHE CB 1 1 6 1813 1 1 9 PHE CD1 C -4.300 1.258 6.956 1.00 . A A . 9 PHE CD1 1 1 6 1814 1 1 9 PHE CD2 C -5.188 -0.797 6.038 1.00 . A A . 9 PHE CD2 1 1 6 1815 1 1 9 PHE CE1 C -4.642 0.829 8.243 1.00 . A A . 9 PHE CE1 1 1 6 1816 1 1 9 PHE CE2 C -5.529 -1.223 7.327 1.00 . A A . 9 PHE CE2 1 1 6 1817 1 1 9 PHE CG C -4.569 0.443 5.849 1.00 . A A . 9 PHE CG 1 1 6 1818 1 1 9 PHE CZ C -5.254 -0.408 8.421 1.00 . A A . 9 PHE CZ 1 1 6 1819 1 1 9 PHE H H -1.941 2.478 2.981 1.00 . A A . 9 PHE H 1 1 6 1820 1 1 9 PHE HA H -2.211 1.636 4.711 1.00 . A A . 9 PHE HA 1 1 6 1821 1 1 9 PHE HB2 H -4.543 1.961 4.300 1.00 . A A . 9 PHE HB2 1 1 6 1822 1 1 9 PHE HB3 H -4.713 0.345 3.660 1.00 . A A . 9 PHE HB3 1 1 6 1823 1 1 9 PHE HD1 H -3.822 2.219 6.782 1.00 . A A . 9 PHE HD1 1 1 6 1824 1 1 9 PHE HD2 H -5.388 -1.411 5.165 1.00 . A A . 9 PHE HD2 1 1 6 1825 1 1 9 PHE HE1 H -4.452 1.427 9.129 1.00 . A A . 9 PHE HE1 1 1 6 1826 1 1 9 PHE HE2 H -6.008 -2.178 7.519 1.00 . A A . 9 PHE HE2 1 1 6 1827 1 1 9 PHE HZ H -5.519 -0.738 9.416 1.00 . A A . 9 PHE HZ 1 1 6 1828 1 1 9 PHE N N -2.503 1.640 2.854 1.00 . A A . 9 PHE N 1 1 6 1829 1 1 9 PHE O O -2.266 -1.364 4.780 1.00 . A A . 9 PHE O 1 1 6 1830 1 1 10 ILE C C 1.477 -1.515 3.248 1.00 . A A . 10 ILE C 1 1 6 1831 1 1 10 ILE CA C -0.035 -1.873 3.124 1.00 . A A . 10 ILE CA 1 1 6 1832 1 1 10 ILE CB C -0.369 -2.635 1.801 1.00 . A A . 10 ILE CB 1 1 6 1833 1 1 10 ILE CD1 C -2.078 -2.486 -0.126 1.00 . A A . 10 ILE CD1 1 1 6 1834 1 1 10 ILE CG1 C -1.853 -2.596 1.377 1.00 . A A . 10 ILE CG1 1 1 6 1835 1 1 10 ILE CG2 C 0.123 -4.108 1.834 1.00 . A A . 10 ILE CG2 1 1 6 1836 1 1 10 ILE H H -0.693 -0.040 2.351 1.00 . A A . 10 ILE H 1 1 6 1837 1 1 10 ILE HA H -0.403 -2.553 3.874 1.00 . A A . 10 ILE HA 1 1 6 1838 1 1 10 ILE HB H 0.170 -2.117 1.015 1.00 . A A . 10 ILE HB 1 1 6 1839 1 1 10 ILE HD11 H -1.636 -1.538 -0.499 1.00 . A A . 10 ILE HD11 1 1 6 1840 1 1 10 ILE HD12 H -1.609 -3.320 -0.674 1.00 . A A . 10 ILE HD12 1 1 6 1841 1 1 10 ILE HD13 H -3.156 -2.453 -0.356 1.00 . A A . 10 ILE HD13 1 1 6 1842 1 1 10 ILE HG12 H -2.324 -3.434 1.867 1.00 . A A . 10 ILE HG12 1 1 6 1843 1 1 10 ILE HG13 H -2.386 -1.738 1.802 1.00 . A A . 10 ILE HG13 1 1 6 1844 1 1 10 ILE HG21 H 0.021 -4.596 0.846 1.00 . A A . 10 ILE HG21 1 1 6 1845 1 1 10 ILE HG22 H -0.450 -4.719 2.557 1.00 . A A . 10 ILE HG22 1 1 6 1846 1 1 10 ILE HG23 H 1.183 -4.194 2.128 1.00 . A A . 10 ILE HG23 1 1 6 1847 1 1 10 ILE N N -0.802 -0.614 3.203 1.00 . A A . 10 ILE N 1 1 6 1848 1 1 10 ILE O O 2.261 -1.831 2.348 1.00 . A A . 10 ILE O 1 1 6 1849 1 1 11 ASN C C 3.920 0.414 3.332 1.00 . A A . 11 ASN C 1 1 6 1850 1 1 11 ASN CA C 3.340 -0.450 4.537 1.00 . A A . 11 ASN CA 1 1 6 1851 1 1 11 ASN CB C 4.152 -1.711 4.944 1.00 . A A . 11 ASN CB 1 1 6 1852 1 1 11 ASN CG C 5.561 -1.479 5.526 1.00 . A A . 11 ASN CG 1 1 6 1853 1 1 11 ASN H H 1.244 -0.788 5.111 1.00 . A A . 11 ASN H 1 1 6 1854 1 1 11 ASN HA H 3.405 0.133 5.470 1.00 . A A . 11 ASN HA 1 1 6 1855 1 1 11 ASN HB2 H 3.567 -2.319 5.665 1.00 . A A . 11 ASN HB2 1 1 6 1856 1 1 11 ASN HB3 H 4.236 -2.341 4.056 1.00 . A A . 11 ASN HB3 1 1 6 1857 1 1 11 ASN HD21 H 6.595 -1.032 7.189 1.00 . A A . 11 ASN HD21 1 1 6 1858 1 1 11 ASN HD22 H 4.765 -1.132 7.325 1.00 . A A . 11 ASN HD22 1 1 6 1859 1 1 11 ASN N N 1.917 -0.844 4.341 1.00 . A A . 11 ASN N 1 1 6 1860 1 1 11 ASN ND2 N 5.651 -1.177 6.811 1.00 . A A . 11 ASN ND2 1 1 6 1861 1 1 11 ASN O O 5.080 0.182 2.983 1.00 . A A . 11 ASN O 1 1 6 1862 1 1 11 ASN OD1 O 6.573 -1.576 4.832 1.00 . A A . 11 ASN OD1 1 1 6 1863 1 1 12 ASN C C 3.621 1.419 0.203 1.00 . A A . 12 ASN C 1 1 6 1864 1 1 12 ASN CA C 3.685 2.204 1.541 1.00 . A A . 12 ASN CA 1 1 6 1865 1 1 12 ASN CB C 5.020 2.904 1.857 1.00 . A A . 12 ASN CB 1 1 6 1866 1 1 12 ASN CG C 5.431 4.067 0.947 1.00 . A A . 12 ASN CG 1 1 6 1867 1 1 12 ASN H H 2.151 1.436 2.717 1.00 . A A . 12 ASN H 1 1 6 1868 1 1 12 ASN HA H 3.007 3.051 1.438 1.00 . A A . 12 ASN HA 1 1 6 1869 1 1 12 ASN HB2 H 5.063 3.196 2.924 1.00 . A A . 12 ASN HB2 1 1 6 1870 1 1 12 ASN HB3 H 5.764 2.150 1.814 1.00 . A A . 12 ASN HB3 1 1 6 1871 1 1 12 ASN HD21 H 5.368 6.089 1.008 1.00 . A A . 12 ASN HD21 1 1 6 1872 1 1 12 ASN HD22 H 4.868 5.011 2.448 1.00 . A A . 12 ASN HD22 1 1 6 1873 1 1 12 ASN N N 3.180 1.379 2.671 1.00 . A A . 12 ASN N 1 1 6 1874 1 1 12 ASN ND2 N 5.303 5.218 1.544 1.00 . A A . 12 ASN ND2 1 1 6 1875 1 1 12 ASN O O 4.658 1.213 -0.429 1.00 . A A . 12 ASN O 1 1 6 1876 1 1 12 ASN OD1 O 5.825 3.942 -0.211 1.00 . A A . 12 ASN OD1 1 1 6 1877 1 1 13 LYS C C 2.900 -1.122 -1.580 1.00 . A A . 13 LYS C 1 1 6 1878 1 1 13 LYS CA C 2.235 0.284 -1.553 1.00 . A A . 13 LYS CA 1 1 6 1879 1 1 13 LYS CB C 2.623 1.150 -2.790 1.00 . A A . 13 LYS CB 1 1 6 1880 1 1 13 LYS CD C 0.439 2.520 -3.218 1.00 . A A . 13 LYS CD 1 1 6 1881 1 1 13 LYS CE C 0.032 1.968 -4.597 1.00 . A A . 13 LYS CE 1 1 6 1882 1 1 13 LYS CG C 1.952 2.530 -2.942 1.00 . A A . 13 LYS CG 1 1 6 1883 1 1 13 LYS H H 1.599 1.185 0.368 1.00 . A A . 13 LYS H 1 1 6 1884 1 1 13 LYS HA H 1.163 0.089 -1.638 1.00 . A A . 13 LYS HA 1 1 6 1885 1 1 13 LYS HB2 H 3.716 1.315 -2.773 1.00 . A A . 13 LYS HB2 1 1 6 1886 1 1 13 LYS HB3 H 2.437 0.562 -3.704 1.00 . A A . 13 LYS HB3 1 1 6 1887 1 1 13 LYS HD2 H -0.050 1.931 -2.426 1.00 . A A . 13 LYS HD2 1 1 6 1888 1 1 13 LYS HD3 H 0.065 3.553 -3.096 1.00 . A A . 13 LYS HD3 1 1 6 1889 1 1 13 LYS HE2 H 0.586 2.487 -5.400 1.00 . A A . 13 LYS HE2 1 1 6 1890 1 1 13 LYS HE3 H 0.298 0.899 -4.675 1.00 . A A . 13 LYS HE3 1 1 6 1891 1 1 13 LYS HG2 H 2.140 3.119 -2.025 1.00 . A A . 13 LYS HG2 1 1 6 1892 1 1 13 LYS HG3 H 2.467 3.088 -3.745 1.00 . A A . 13 LYS HG3 1 1 6 1893 1 1 13 LYS HZ1 H -1.673 3.097 -4.799 1.00 . A A . 13 LYS HZ1 1 1 6 1894 1 1 13 LYS HZ2 H -1.943 1.588 -4.133 1.00 . A A . 13 LYS HZ2 1 1 6 1895 1 1 13 LYS HZ3 H -1.667 1.716 -5.739 1.00 . A A . 13 LYS HZ3 1 1 6 1896 1 1 13 LYS N N 2.409 1.007 -0.253 1.00 . A A . 13 LYS N 1 1 6 1897 1 1 13 LYS NZ N -1.414 2.122 -4.832 1.00 . A A . 13 LYS NZ 1 1 6 1898 1 1 13 LYS O O 3.830 -1.380 -2.352 1.00 . A A . 13 LYS O 1 1 6 1899 1 1 14 HIS C C 4.403 -3.467 -0.257 1.00 . A A . 14 HIS C 1 1 6 1900 1 1 14 HIS CA C 2.880 -3.444 -0.594 1.00 . A A . 14 HIS CA 1 1 6 1901 1 1 14 HIS CB C 2.449 -4.331 -1.795 1.00 . A A . 14 HIS CB 1 1 6 1902 1 1 14 HIS CD2 C 2.248 -6.859 -2.370 1.00 . A A . 14 HIS CD2 1 1 6 1903 1 1 14 HIS CE1 C 2.155 -7.638 -0.417 1.00 . A A . 14 HIS CE1 1 1 6 1904 1 1 14 HIS CG C 2.368 -5.812 -1.437 1.00 . A A . 14 HIS CG 1 1 6 1905 1 1 14 HIS H H 1.684 -1.638 -0.089 1.00 . A A . 14 HIS H 1 1 6 1906 1 1 14 HIS HA H 2.373 -3.865 0.280 1.00 . A A . 14 HIS HA 1 1 6 1907 1 1 14 HIS HB2 H 1.453 -4.024 -2.166 1.00 . A A . 14 HIS HB2 1 1 6 1908 1 1 14 HIS HB3 H 3.131 -4.177 -2.655 1.00 . A A . 14 HIS HB3 1 1 6 1909 1 1 14 HIS HD2 H 2.235 -6.739 -3.444 1.00 . A A . 14 HIS HD2 1 1 6 1910 1 1 14 HIS HE1 H 2.073 -8.352 0.389 1.00 . A A . 14 HIS HE1 1 1 6 1911 1 1 14 HIS HE2 H 1.989 -9.013 -2.096 1.00 . A A . 14 HIS HE2 1 1 6 1912 1 1 14 HIS N N 2.380 -2.036 -0.733 1.00 . A A . 14 HIS N 1 1 6 1913 1 1 14 HIS ND1 N 2.308 -6.302 -0.137 1.00 . A A . 14 HIS ND1 1 1 6 1914 1 1 14 HIS NE2 N 2.109 -8.067 -1.718 1.00 . A A . 14 HIS NE2 1 1 6 1915 1 1 14 HIS O O 5.200 -4.060 -0.992 1.00 . A A . 14 HIS O 1 1 6 1916 1 1 15 LEU C C 7.108 -1.996 0.244 1.00 . A A . 15 LEU C 1 1 6 1917 1 1 15 LEU CA C 6.208 -2.701 1.325 1.00 . A A . 15 LEU CA 1 1 6 1918 1 1 15 LEU CB C 6.780 -4.082 1.797 1.00 . A A . 15 LEU CB 1 1 6 1919 1 1 15 LEU CD1 C 4.807 -5.554 2.645 1.00 . A A . 15 LEU CD1 1 1 6 1920 1 1 15 LEU CD2 C 7.134 -5.909 3.518 1.00 . A A . 15 LEU CD2 1 1 6 1921 1 1 15 LEU CG C 6.135 -4.825 3.018 1.00 . A A . 15 LEU CG 1 1 6 1922 1 1 15 LEU H H 4.037 -2.402 1.429 1.00 . A A . 15 LEU H 1 1 6 1923 1 1 15 LEU HA H 6.222 -1.995 2.166 1.00 . A A . 15 LEU HA 1 1 6 1924 1 1 15 LEU HB2 H 6.821 -4.766 0.920 1.00 . A A . 15 LEU HB2 1 1 6 1925 1 1 15 LEU HB3 H 7.853 -3.918 2.019 1.00 . A A . 15 LEU HB3 1 1 6 1926 1 1 15 LEU HD11 H 3.976 -4.863 2.413 1.00 . A A . 15 LEU HD11 1 1 6 1927 1 1 15 LEU HD12 H 4.912 -6.207 1.753 1.00 . A A . 15 LEU HD12 1 1 6 1928 1 1 15 LEU HD13 H 4.430 -6.210 3.452 1.00 . A A . 15 LEU HD13 1 1 6 1929 1 1 15 LEU HD21 H 6.744 -6.497 4.370 1.00 . A A . 15 LEU HD21 1 1 6 1930 1 1 15 LEU HD22 H 8.100 -5.481 3.847 1.00 . A A . 15 LEU HD22 1 1 6 1931 1 1 15 LEU HD23 H 7.390 -6.647 2.732 1.00 . A A . 15 LEU HD23 1 1 6 1932 1 1 15 LEU HG H 5.949 -4.081 3.850 1.00 . A A . 15 LEU HG 1 1 6 1933 1 1 15 LEU N N 4.792 -2.804 0.866 1.00 . A A . 15 LEU N 1 1 6 1934 1 1 15 LEU O O 8.308 -2.274 0.172 1.00 . A A . 15 LEU O 1 1 6 1935 1 1 16 ASN C C 7.908 -1.361 -2.623 1.00 . A A . 16 ASN C 1 1 6 1936 1 1 16 ASN CA C 7.282 -0.306 -1.643 1.00 . A A . 16 ASN CA 1 1 6 1937 1 1 16 ASN CB C 8.164 0.796 -1.043 1.00 . A A . 16 ASN CB 1 1 6 1938 1 1 16 ASN CG C 8.832 1.739 -2.049 1.00 . A A . 16 ASN CG 1 1 6 1939 1 1 16 ASN H H 5.583 -0.772 -0.332 1.00 . A A . 16 ASN H 1 1 6 1940 1 1 16 ASN HA H 6.541 0.276 -2.202 1.00 . A A . 16 ASN HA 1 1 6 1941 1 1 16 ASN HB2 H 7.537 1.351 -0.311 1.00 . A A . 16 ASN HB2 1 1 6 1942 1 1 16 ASN HB3 H 8.931 0.369 -0.428 1.00 . A A . 16 ASN HB3 1 1 6 1943 1 1 16 ASN HD21 H 8.663 3.661 -2.640 1.00 . A A . 16 ASN HD21 1 1 6 1944 1 1 16 ASN HD22 H 7.494 2.873 -1.421 1.00 . A A . 16 ASN HD22 1 1 6 1945 1 1 16 ASN N N 6.554 -1.035 -0.560 1.00 . A A . 16 ASN N 1 1 6 1946 1 1 16 ASN ND2 N 8.210 2.880 -2.154 1.00 . A A . 16 ASN ND2 1 1 6 1947 1 1 16 ASN O O 9.128 -1.439 -2.792 1.00 . A A . 16 ASN O 1 1 6 1948 1 1 16 ASN OD1 O 9.861 1.470 -2.669 1.00 . A A . 16 ASN OD1 1 1 6 1949 1 1 17 GLU C C 8.363 -4.370 -3.550 1.00 . A A . 17 GLU C 1 1 6 1950 1 1 17 GLU CA C 7.363 -3.302 -4.130 1.00 . A A . 17 GLU CA 1 1 6 1951 1 1 17 GLU CB C 7.641 -2.757 -5.535 1.00 . A A . 17 GLU CB 1 1 6 1952 1 1 17 GLU CD C 6.740 -1.452 -7.559 1.00 . A A . 17 GLU CD 1 1 6 1953 1 1 17 GLU CG C 6.468 -1.963 -6.145 1.00 . A A . 17 GLU CG 1 1 6 1954 1 1 17 GLU H H 6.077 -1.864 -3.353 1.00 . A A . 17 GLU H 1 1 6 1955 1 1 17 GLU HA H 6.412 -3.819 -4.286 1.00 . A A . 17 GLU HA 1 1 6 1956 1 1 17 GLU HB2 H 8.566 -2.176 -5.515 1.00 . A A . 17 GLU HB2 1 1 6 1957 1 1 17 GLU HB3 H 7.814 -3.626 -6.169 1.00 . A A . 17 GLU HB3 1 1 6 1958 1 1 17 GLU HE2 H 6.565 -2.045 -9.405 1.00 . A A . 17 GLU HE2 1 1 6 1959 1 1 17 GLU HG2 H 5.549 -2.573 -6.113 1.00 . A A . 17 GLU HG2 1 1 6 1960 1 1 17 GLU HG3 H 6.236 -1.121 -5.476 1.00 . A A . 17 GLU HG3 1 1 6 1961 1 1 17 GLU N N 7.024 -2.216 -3.197 1.00 . A A . 17 GLU N 1 1 6 1962 1 1 17 GLU O O 9.279 -4.817 -4.246 1.00 . A A . 17 GLU O 1 1 6 1963 1 1 17 GLU OE1 O 7.216 -0.342 -7.799 1.00 . A A . 17 GLU OE1 1 1 6 1964 1 1 17 GLU OE2 O 6.394 -2.369 -8.518 1.00 . A A . 17 GLU OE2 1 1 6 1965 1 1 18 HIS C C 8.208 -7.104 -1.376 1.00 . A A . 18 HIS C 1 1 6 1966 1 1 18 HIS CA C 8.974 -5.776 -1.560 1.00 . A A . 18 HIS CA 1 1 6 1967 1 1 18 HIS CB C 9.710 -5.134 -0.347 1.00 . A A . 18 HIS CB 1 1 6 1968 1 1 18 HIS CD2 C 11.592 -5.561 1.348 1.00 . A A . 18 HIS CD2 1 1 6 1969 1 1 18 HIS CE1 C 12.182 -7.500 0.789 1.00 . A A . 18 HIS CE1 1 1 6 1970 1 1 18 HIS CG C 10.848 -5.972 0.235 1.00 . A A . 18 HIS CG 1 1 6 1971 1 1 18 HIS H H 7.494 -4.217 -1.744 1.00 . A A . 18 HIS H 1 1 6 1972 1 1 18 HIS HA H 9.796 -6.045 -2.159 1.00 . A A . 18 HIS HA 1 1 6 1973 1 1 18 HIS HB2 H 10.118 -4.147 -0.630 1.00 . A A . 18 HIS HB2 1 1 6 1974 1 1 18 HIS HB3 H 9.007 -4.921 0.470 1.00 . A A . 18 HIS HB3 1 1 6 1975 1 1 18 HIS HD2 H 11.453 -4.613 1.845 1.00 . A A . 18 HIS HD2 1 1 6 1976 1 1 18 HIS HE1 H 12.694 -8.451 0.803 1.00 . A A . 18 HIS HE1 1 1 6 1977 1 1 18 HIS HE2 H 13.140 -6.579 2.512 1.00 . A A . 18 HIS HE2 1 1 6 1978 1 1 18 HIS N N 8.146 -4.787 -2.276 1.00 . A A . 18 HIS N 1 1 6 1979 1 1 18 HIS ND1 N 11.221 -7.252 -0.164 1.00 . A A . 18 HIS ND1 1 1 6 1980 1 1 18 HIS NE2 N 12.478 -6.550 1.729 1.00 . A A . 18 HIS NE2 1 1 6 1981 1 1 18 HIS O O 8.188 -7.967 -2.259 1.00 . A A . 18 HIS O 1 1 6 1982 1 1 19 ALA C C 7.803 -9.506 0.689 1.00 . A A . 19 ALA C 1 1 6 1983 1 1 19 ALA CA C 6.809 -8.377 0.285 1.00 . A A . 19 ALA CA 1 1 6 1984 1 1 19 ALA CB C 5.676 -8.823 -0.666 1.00 . A A . 19 ALA CB 1 1 6 1985 1 1 19 ALA H H 7.916 -6.395 0.339 1.00 . A A . 19 ALA H 1 1 6 1986 1 1 19 ALA HA H 6.291 -8.037 1.200 1.00 . A A . 19 ALA HA 1 1 6 1987 1 1 19 ALA HB1 H 6.055 -9.267 -1.604 1.00 . A A . 19 ALA HB1 1 1 6 1988 1 1 19 ALA HB2 H 5.030 -7.971 -0.946 1.00 . A A . 19 ALA HB2 1 1 6 1989 1 1 19 ALA HB3 H 5.026 -9.579 -0.189 1.00 . A A . 19 ALA HB3 1 1 6 1990 1 1 19 ALA N N 7.609 -7.213 -0.196 1.00 . A A . 19 ALA N 1 1 6 1991 1 1 19 ALA O O 8.015 -10.472 -0.053 1.00 . A A . 19 ALA O 1 1 6 1992 1 1 20 HIS C C 8.767 -11.625 3.000 1.00 . A A . 20 HIS C 1 1 6 1993 1 1 20 HIS CA C 9.395 -10.316 2.435 1.00 . A A . 20 HIS CA 1 1 6 1994 1 1 20 HIS CB C 10.310 -9.556 3.433 1.00 . A A . 20 HIS CB 1 1 6 1995 1 1 20 HIS CD2 C 12.679 -9.619 4.407 1.00 . A A . 20 HIS CD2 1 1 6 1996 1 1 20 HIS CE1 C 13.542 -11.096 3.188 1.00 . A A . 20 HIS CE1 1 1 6 1997 1 1 20 HIS CG C 11.706 -10.146 3.549 1.00 . A A . 20 HIS CG 1 1 6 1998 1 1 20 HIS H H 8.243 -8.467 2.356 1.00 . A A . 20 HIS H 1 1 6 1999 1 1 20 HIS HXT H 7.602 -12.452 4.328 1.00 . A A . 20 HIS HXT 1 1 6 2000 1 1 20 HIS HA H 10.052 -10.594 1.596 1.00 . A A . 20 HIS HA 1 1 6 2001 1 1 20 HIS HB2 H 10.453 -8.501 3.126 1.00 . A A . 20 HIS HB2 1 1 6 2002 1 1 20 HIS HB3 H 9.841 -9.493 4.431 1.00 . A A . 20 HIS HB3 1 1 6 2003 1 1 20 HIS HD2 H 12.502 -8.792 5.078 1.00 . A A . 20 HIS HD2 1 1 6 2004 1 1 20 HIS HE1 H 14.285 -11.747 2.749 1.00 . A A . 20 HIS HE1 1 1 6 2005 1 1 20 HIS HE2 H 14.810 -10.061 4.622 1.00 . A A . 20 HIS HE2 1 1 6 2006 1 1 20 HIS N N 8.411 -9.357 1.884 1.00 . A A . 20 HIS N 1 1 6 2007 1 1 20 HIS ND1 N 12.248 -11.122 2.720 1.00 . A A . 20 HIS ND1 1 1 6 2008 1 1 20 HIS NE2 N 13.894 -10.239 4.196 1.00 . A A . 20 HIS NE2 1 1 6 2009 1 1 20 HIS O O 9.026 -12.711 2.480 1.00 . A A . 20 HIS O 1 1 6 2010 1 1 20 HIS OXT O 7.900 -11.566 4.107 1.00 . A A . 20 HIS OXT 1 1 7 2011 1 1 1 SER C C -10.069 4.557 -3.039 1.00 . A A . 1 SER C 1 1 7 2012 1 1 1 SER CA C -10.814 4.582 -4.414 1.00 . A A . 1 SER CA 1 1 7 2013 1 1 1 SER CB C -11.627 5.859 -4.666 1.00 . A A . 1 SER CB 1 1 7 2014 1 1 1 SER H1 H -12.356 4.038 -5.143 1.00 . A A . 1 SER H1 1 1 7 2015 1 1 1 SER H2 H -11.634 2.840 -5.433 1.00 . A A . 1 SER H2 1 1 7 2016 1 1 1 SER H3 H -12.449 3.278 -3.938 1.00 . A A . 1 SER H3 1 1 7 2017 1 1 1 SER HA H -10.058 4.567 -5.184 1.00 . A A . 1 SER HA 1 1 7 2018 1 1 1 SER HB2 H -12.337 5.724 -5.505 1.00 . A A . 1 SER HB2 1 1 7 2019 1 1 1 SER HB3 H -12.225 6.069 -3.774 1.00 . A A . 1 SER HB3 1 1 7 2020 1 1 1 SER HG H -10.285 6.731 -5.732 1.00 . A A . 1 SER HG 1 1 7 2021 1 1 1 SER N N -11.728 3.440 -4.626 1.00 . A A . 1 SER N 1 1 7 2022 1 1 1 SER O O -9.902 5.591 -2.384 1.00 . A A . 1 SER O 1 1 7 2023 1 1 1 SER OG O -10.772 6.962 -4.938 1.00 . A A . 1 SER OG 1 1 7 2024 1 1 2 ASP C C -9.419 3.597 -0.036 1.00 . A A . 2 ASP C 1 1 7 2025 1 1 2 ASP CA C -8.816 3.086 -1.394 1.00 . A A . 2 ASP CA 1 1 7 2026 1 1 2 ASP CB C -7.373 3.583 -1.703 1.00 . A A . 2 ASP CB 1 1 7 2027 1 1 2 ASP CG C -6.556 2.824 -2.768 1.00 . A A . 2 ASP CG 1 1 7 2028 1 1 2 ASP H H -9.733 2.565 -3.221 1.00 . A A . 2 ASP H 1 1 7 2029 1 1 2 ASP HA H -8.854 1.974 -1.327 1.00 . A A . 2 ASP HA 1 1 7 2030 1 1 2 ASP HB2 H -7.370 4.664 -1.942 1.00 . A A . 2 ASP HB2 1 1 7 2031 1 1 2 ASP HB3 H -6.816 3.521 -0.785 1.00 . A A . 2 ASP HB3 1 1 7 2032 1 1 2 ASP HD2 H -6.202 2.890 -4.681 1.00 . A A . 2 ASP HD2 1 1 7 2033 1 1 2 ASP N N -9.588 3.361 -2.625 1.00 . A A . 2 ASP N 1 1 7 2034 1 1 2 ASP O O -8.704 3.960 0.916 1.00 . A A . 2 ASP O 1 1 7 2035 1 1 2 ASP OD1 O -5.836 1.858 -2.517 1.00 . A A . 2 ASP OD1 1 1 7 2036 1 1 2 ASP OD2 O -6.715 3.360 -4.021 1.00 . A A . 2 ASP OD2 1 1 7 2037 1 1 3 THR C C -11.361 5.383 1.785 1.00 . A A . 3 THR C 1 1 7 2038 1 1 3 THR CA C -11.636 3.956 1.169 1.00 . A A . 3 THR CA 1 1 7 2039 1 1 3 THR CB C -11.822 2.788 2.180 1.00 . A A . 3 THR CB 1 1 7 2040 1 1 3 THR CG2 C -10.589 2.461 3.022 1.00 . A A . 3 THR CG2 1 1 7 2041 1 1 3 THR H H -11.114 2.847 -0.653 1.00 . A A . 3 THR H 1 1 7 2042 1 1 3 THR HA H -12.628 4.066 0.711 1.00 . A A . 3 THR HA 1 1 7 2043 1 1 3 THR HB H -12.094 1.873 1.620 1.00 . A A . 3 THR HB 1 1 7 2044 1 1 3 THR HG1 H -12.997 2.293 3.620 1.00 . A A . 3 THR HG1 1 1 7 2045 1 1 3 THR HG21 H -10.793 1.617 3.700 1.00 . A A . 3 THR HG21 1 1 7 2046 1 1 3 THR HG22 H -9.746 2.167 2.379 1.00 . A A . 3 THR HG22 1 1 7 2047 1 1 3 THR HG23 H -10.268 3.338 3.608 1.00 . A A . 3 THR HG23 1 1 7 2048 1 1 3 THR N N -10.770 3.530 0.026 1.00 . A A . 3 THR N 1 1 7 2049 1 1 3 THR O O -11.924 5.721 2.830 1.00 . A A . 3 THR O 1 1 7 2050 1 1 3 THR OG1 O -12.908 3.065 3.058 1.00 . A A . 3 THR OG1 1 1 7 2051 1 1 4 ARG C C -9.560 7.720 2.966 1.00 . A A . 4 ARG C 1 1 7 2052 1 1 4 ARG CA C -10.162 7.603 1.523 1.00 . A A . 4 ARG CA 1 1 7 2053 1 1 4 ARG CB C -11.321 8.626 1.277 1.00 . A A . 4 ARG CB 1 1 7 2054 1 1 4 ARG CD C -11.008 9.203 -1.262 1.00 . A A . 4 ARG CD 1 1 7 2055 1 1 4 ARG CG C -11.960 8.711 -0.133 1.00 . A A . 4 ARG CG 1 1 7 2056 1 1 4 ARG CZ C -11.264 9.950 -3.643 1.00 . A A . 4 ARG CZ 1 1 7 2057 1 1 4 ARG H H -10.110 5.808 0.280 1.00 . A A . 4 ARG H 1 1 7 2058 1 1 4 ARG HA H -9.295 7.836 0.865 1.00 . A A . 4 ARG HA 1 1 7 2059 1 1 4 ARG HB2 H -12.139 8.416 1.997 1.00 . A A . 4 ARG HB2 1 1 7 2060 1 1 4 ARG HB3 H -10.989 9.644 1.557 1.00 . A A . 4 ARG HB3 1 1 7 2061 1 1 4 ARG HD2 H -10.504 10.153 -0.980 1.00 . A A . 4 ARG HD2 1 1 7 2062 1 1 4 ARG HD3 H -10.175 8.490 -1.442 1.00 . A A . 4 ARG HD3 1 1 7 2063 1 1 4 ARG HE H -12.730 9.097 -2.538 1.00 . A A . 4 ARG HE 1 1 7 2064 1 1 4 ARG HG2 H -12.419 7.732 -0.387 1.00 . A A . 4 ARG HG2 1 1 7 2065 1 1 4 ARG HG3 H -12.843 9.381 -0.049 1.00 . A A . 4 ARG HG3 1 1 7 2066 1 1 4 ARG HH11 H -9.404 10.266 -2.942 1.00 . A A . 4 ARG HH11 1 1 7 2067 1 1 4 ARG HH12 H -9.744 10.775 -4.672 1.00 . A A . 4 ARG HH12 1 1 7 2068 1 1 4 ARG HH21 H -13.028 9.740 -4.567 1.00 . A A . 4 ARG HH21 1 1 7 2069 1 1 4 ARG HH22 H -11.659 10.496 -5.528 1.00 . A A . 4 ARG HH22 1 1 7 2070 1 1 4 ARG N N -10.553 6.231 1.102 1.00 . A A . 4 ARG N 1 1 7 2071 1 1 4 ARG NE N -11.767 9.399 -2.521 1.00 . A A . 4 ARG NE 1 1 7 2072 1 1 4 ARG NH1 N -10.008 10.374 -3.765 1.00 . A A . 4 ARG NH1 1 1 7 2073 1 1 4 ARG NH2 N -12.065 10.074 -4.685 1.00 . A A . 4 ARG NH2 1 1 7 2074 1 1 4 ARG O O -9.601 8.800 3.565 1.00 . A A . 4 ARG O 1 1 7 2075 1 1 5 TYR C C -7.449 5.361 5.133 1.00 . A A . 5 TYR C 1 1 7 2076 1 1 5 TYR CA C -8.371 6.579 4.845 1.00 . A A . 5 TYR CA 1 1 7 2077 1 1 5 TYR CB C -9.446 6.735 5.962 1.00 . A A . 5 TYR CB 1 1 7 2078 1 1 5 TYR CD1 C -8.538 8.519 7.543 1.00 . A A . 5 TYR CD1 1 1 7 2079 1 1 5 TYR CD2 C -8.894 6.296 8.418 1.00 . A A . 5 TYR CD2 1 1 7 2080 1 1 5 TYR CE1 C -8.081 8.936 8.791 1.00 . A A . 5 TYR CE1 1 1 7 2081 1 1 5 TYR CE2 C -8.434 6.714 9.664 1.00 . A A . 5 TYR CE2 1 1 7 2082 1 1 5 TYR CG C -8.944 7.194 7.345 1.00 . A A . 5 TYR CG 1 1 7 2083 1 1 5 TYR CZ C -8.028 8.033 9.851 1.00 . A A . 5 TYR CZ 1 1 7 2084 1 1 5 TYR H H -8.928 5.820 2.864 1.00 . A A . 5 TYR H 1 1 7 2085 1 1 5 TYR HA H -7.725 7.445 4.900 1.00 . A A . 5 TYR HA 1 1 7 2086 1 1 5 TYR HB2 H -10.244 7.436 5.656 1.00 . A A . 5 TYR HB2 1 1 7 2087 1 1 5 TYR HB3 H -9.953 5.769 6.029 1.00 . A A . 5 TYR HB3 1 1 7 2088 1 1 5 TYR HD1 H -8.573 9.230 6.729 1.00 . A A . 5 TYR HD1 1 1 7 2089 1 1 5 TYR HD2 H -9.211 5.271 8.291 1.00 . A A . 5 TYR HD2 1 1 7 2090 1 1 5 TYR HE1 H -7.768 9.960 8.934 1.00 . A A . 5 TYR HE1 1 1 7 2091 1 1 5 TYR HE2 H -8.396 6.011 10.485 1.00 . A A . 5 TYR HE2 1 1 7 2092 1 1 5 TYR HH H -7.606 7.702 11.688 1.00 . A A . 5 TYR HH 1 1 7 2093 1 1 5 TYR N N -8.973 6.622 3.499 1.00 . A A . 5 TYR N 1 1 7 2094 1 1 5 TYR O O -6.627 5.536 6.041 1.00 . A A . 5 TYR O 1 1 7 2095 1 1 5 TYR OH O -7.576 8.445 11.080 1.00 . A A . 5 TYR OH 1 1 7 2096 1 1 6 ASN C C -6.046 2.161 3.687 1.00 . A A . 6 ASN C 1 1 7 2097 1 1 6 ASN CA C -6.595 3.053 4.818 1.00 . A A . 6 ASN CA 1 1 7 2098 1 1 6 ASN CB C -7.082 2.094 5.943 1.00 . A A . 6 ASN CB 1 1 7 2099 1 1 6 ASN CG C -7.678 2.694 7.233 1.00 . A A . 6 ASN CG 1 1 7 2100 1 1 6 ASN H H -7.977 4.207 3.535 1.00 . A A . 6 ASN H 1 1 7 2101 1 1 6 ASN HA H -5.689 3.535 5.201 1.00 . A A . 6 ASN HA 1 1 7 2102 1 1 6 ASN HB2 H -7.805 1.381 5.513 1.00 . A A . 6 ASN HB2 1 1 7 2103 1 1 6 ASN HB3 H -6.212 1.463 6.231 1.00 . A A . 6 ASN HB3 1 1 7 2104 1 1 6 ASN HD21 H -7.258 3.499 9.023 1.00 . A A . 6 ASN HD21 1 1 7 2105 1 1 6 ASN HD22 H -5.840 3.015 7.960 1.00 . A A . 6 ASN HD22 1 1 7 2106 1 1 6 ASN N N -7.522 4.174 4.462 1.00 . A A . 6 ASN N 1 1 7 2107 1 1 6 ASN ND2 N -6.841 3.098 8.175 1.00 . A A . 6 ASN ND2 1 1 7 2108 1 1 6 ASN O O -4.980 1.584 3.934 1.00 . A A . 6 ASN O 1 1 7 2109 1 1 6 ASN OD1 O -8.895 2.792 7.385 1.00 . A A . 6 ASN OD1 1 1 7 2110 1 1 7 LYS C C -4.791 1.797 0.839 1.00 . A A . 7 LYS C 1 1 7 2111 1 1 7 LYS CA C -6.050 1.119 1.439 1.00 . A A . 7 LYS CA 1 1 7 2112 1 1 7 LYS CB C -6.982 0.456 0.401 1.00 . A A . 7 LYS CB 1 1 7 2113 1 1 7 LYS CD C -8.416 -1.037 2.079 1.00 . A A . 7 LYS CD 1 1 7 2114 1 1 7 LYS CE C -7.654 -2.368 1.960 1.00 . A A . 7 LYS CE 1 1 7 2115 1 1 7 LYS CG C -8.350 -0.132 0.829 1.00 . A A . 7 LYS CG 1 1 7 2116 1 1 7 LYS H H -7.575 2.454 2.401 1.00 . A A . 7 LYS H 1 1 7 2117 1 1 7 LYS HA H -5.580 0.296 2.025 1.00 . A A . 7 LYS HA 1 1 7 2118 1 1 7 LYS HB2 H -7.161 1.175 -0.404 1.00 . A A . 7 LYS HB2 1 1 7 2119 1 1 7 LYS HB3 H -6.409 -0.345 -0.093 1.00 . A A . 7 LYS HB3 1 1 7 2120 1 1 7 LYS HD2 H -8.062 -0.477 2.965 1.00 . A A . 7 LYS HD2 1 1 7 2121 1 1 7 LYS HD3 H -9.483 -1.247 2.283 1.00 . A A . 7 LYS HD3 1 1 7 2122 1 1 7 LYS HE2 H -7.975 -2.922 1.060 1.00 . A A . 7 LYS HE2 1 1 7 2123 1 1 7 LYS HE3 H -6.574 -2.177 1.846 1.00 . A A . 7 LYS HE3 1 1 7 2124 1 1 7 LYS HG2 H -9.048 0.708 0.976 1.00 . A A . 7 LYS HG2 1 1 7 2125 1 1 7 LYS HG3 H -8.777 -0.680 -0.031 1.00 . A A . 7 LYS HG3 1 1 7 2126 1 1 7 LYS HZ1 H -7.345 -4.082 3.053 1.00 . A A . 7 LYS HZ1 1 1 7 2127 1 1 7 LYS HZ2 H -7.559 -2.717 3.993 1.00 . A A . 7 LYS HZ2 1 1 7 2128 1 1 7 LYS HZ3 H -8.857 -3.407 3.277 1.00 . A A . 7 LYS HZ3 1 1 7 2129 1 1 7 LYS N N -6.683 1.966 2.506 1.00 . A A . 7 LYS N 1 1 7 2130 1 1 7 LYS NZ N -7.857 -3.217 3.148 1.00 . A A . 7 LYS NZ 1 1 7 2131 1 1 7 LYS O O -3.885 1.068 0.427 1.00 . A A . 7 LYS O 1 1 7 2132 1 1 8 ASP C C -2.312 3.525 1.335 1.00 . A A . 8 ASP C 1 1 7 2133 1 1 8 ASP CA C -3.426 3.782 0.216 1.00 . A A . 8 ASP CA 1 1 7 2134 1 1 8 ASP CB C -3.654 5.250 -0.169 1.00 . A A . 8 ASP CB 1 1 7 2135 1 1 8 ASP CG C -2.469 5.931 -0.866 1.00 . A A . 8 ASP CG 1 1 7 2136 1 1 8 ASP H H -5.530 3.689 0.981 1.00 . A A . 8 ASP H 1 1 7 2137 1 1 8 ASP HA H -3.043 3.267 -0.667 1.00 . A A . 8 ASP HA 1 1 7 2138 1 1 8 ASP HB2 H -4.537 5.338 -0.836 1.00 . A A . 8 ASP HB2 1 1 7 2139 1 1 8 ASP HB3 H -3.905 5.783 0.752 1.00 . A A . 8 ASP HB3 1 1 7 2140 1 1 8 ASP HD2 H -1.977 6.530 0.919 1.00 . A A . 8 ASP HD2 1 1 7 2141 1 1 8 ASP N N -4.705 3.146 0.691 1.00 . A A . 8 ASP N 1 1 7 2142 1 1 8 ASP O O -1.117 3.509 1.036 1.00 . A A . 8 ASP O 1 1 7 2143 1 1 8 ASP OD1 O -2.274 5.873 -2.080 1.00 . A A . 8 ASP OD1 1 1 7 2144 1 1 8 ASP OD2 O -1.660 6.602 0.016 1.00 . A A . 8 ASP OD2 1 1 7 2145 1 1 9 PHE C C -1.772 1.385 3.882 1.00 . A A . 9 PHE C 1 1 7 2146 1 1 9 PHE CA C -1.968 2.951 3.765 1.00 . A A . 9 PHE CA 1 1 7 2147 1 1 9 PHE CB C -2.576 3.645 5.010 1.00 . A A . 9 PHE CB 1 1 7 2148 1 1 9 PHE CD1 C -3.699 5.882 4.496 1.00 . A A . 9 PHE CD1 1 1 7 2149 1 1 9 PHE CD2 C -1.527 5.909 5.560 1.00 . A A . 9 PHE CD2 1 1 7 2150 1 1 9 PHE CE1 C -3.723 7.281 4.508 1.00 . A A . 9 PHE CE1 1 1 7 2151 1 1 9 PHE CE2 C -1.554 7.310 5.570 1.00 . A A . 9 PHE CE2 1 1 7 2152 1 1 9 PHE CG C -2.602 5.191 5.024 1.00 . A A . 9 PHE CG 1 1 7 2153 1 1 9 PHE CZ C -2.650 7.986 5.045 1.00 . A A . 9 PHE CZ 1 1 7 2154 1 1 9 PHE H H -3.746 3.458 2.754 1.00 . A A . 9 PHE H 1 1 7 2155 1 1 9 PHE HA H -1.002 3.410 3.685 1.00 . A A . 9 PHE HA 1 1 7 2156 1 1 9 PHE HB2 H -3.580 3.249 5.161 1.00 . A A . 9 PHE HB2 1 1 7 2157 1 1 9 PHE HB3 H -2.032 3.300 5.900 1.00 . A A . 9 PHE HB3 1 1 7 2158 1 1 9 PHE HD1 H -4.515 5.305 4.072 1.00 . A A . 9 PHE HD1 1 1 7 2159 1 1 9 PHE HD2 H -0.684 5.352 5.959 1.00 . A A . 9 PHE HD2 1 1 7 2160 1 1 9 PHE HE1 H -4.554 7.855 4.109 1.00 . A A . 9 PHE HE1 1 1 7 2161 1 1 9 PHE HE2 H -0.742 7.906 5.977 1.00 . A A . 9 PHE HE2 1 1 7 2162 1 1 9 PHE HZ H -2.669 9.066 5.054 1.00 . A A . 9 PHE HZ 1 1 7 2163 1 1 9 PHE N N -2.755 3.280 2.598 1.00 . A A . 9 PHE N 1 1 7 2164 1 1 9 PHE O O -1.627 0.953 5.031 1.00 . A A . 9 PHE O 1 1 7 2165 1 1 10 ILE C C 0.033 -1.050 2.988 1.00 . A A . 10 ILE C 1 1 7 2166 1 1 10 ILE CA C -1.527 -0.984 2.964 1.00 . A A . 10 ILE CA 1 1 7 2167 1 1 10 ILE CB C -2.096 -1.933 1.874 1.00 . A A . 10 ILE CB 1 1 7 2168 1 1 10 ILE CD1 C -4.041 -2.080 0.233 1.00 . A A . 10 ILE CD1 1 1 7 2169 1 1 10 ILE CG1 C -3.607 -1.804 1.676 1.00 . A A . 10 ILE CG1 1 1 7 2170 1 1 10 ILE CG2 C -1.734 -3.432 2.094 1.00 . A A . 10 ILE CG2 1 1 7 2171 1 1 10 ILE H H -2.433 0.710 2.027 1.00 . A A . 10 ILE H 1 1 7 2172 1 1 10 ILE HA H -1.986 -1.341 3.886 1.00 . A A . 10 ILE HA 1 1 7 2173 1 1 10 ILE HB H -1.641 -1.608 0.946 1.00 . A A . 10 ILE HB 1 1 7 2174 1 1 10 ILE HD11 H -5.135 -2.052 0.135 1.00 . A A . 10 ILE HD11 1 1 7 2175 1 1 10 ILE HD12 H -3.622 -1.318 -0.449 1.00 . A A . 10 ILE HD12 1 1 7 2176 1 1 10 ILE HD13 H -3.694 -3.066 -0.115 1.00 . A A . 10 ILE HD13 1 1 7 2177 1 1 10 ILE HG12 H -4.100 -2.467 2.388 1.00 . A A . 10 ILE HG12 1 1 7 2178 1 1 10 ILE HG13 H -3.940 -0.794 1.954 1.00 . A A . 10 ILE HG13 1 1 7 2179 1 1 10 ILE HG21 H -2.130 -4.080 1.291 1.00 . A A . 10 ILE HG21 1 1 7 2180 1 1 10 ILE HG22 H -2.137 -3.817 3.050 1.00 . A A . 10 ILE HG22 1 1 7 2181 1 1 10 ILE HG23 H -0.644 -3.608 2.112 1.00 . A A . 10 ILE HG23 1 1 7 2182 1 1 10 ILE N N -1.800 0.494 2.807 1.00 . A A . 10 ILE N 1 1 7 2183 1 1 10 ILE O O 0.726 -1.427 2.037 1.00 . A A . 10 ILE O 1 1 7 2184 1 1 11 ASN C C 2.805 0.309 3.441 1.00 . A A . 11 ASN C 1 1 7 2185 1 1 11 ASN CA C 1.960 -0.521 4.507 1.00 . A A . 11 ASN CA 1 1 7 2186 1 1 11 ASN CB C 2.421 -1.951 4.850 1.00 . A A . 11 ASN CB 1 1 7 2187 1 1 11 ASN CG C 3.772 -2.085 5.576 1.00 . A A . 11 ASN CG 1 1 7 2188 1 1 11 ASN H H -0.310 -0.354 4.699 1.00 . A A . 11 ASN H 1 1 7 2189 1 1 11 ASN HA H 2.040 -0.024 5.489 1.00 . A A . 11 ASN HA 1 1 7 2190 1 1 11 ASN HB2 H 1.624 -2.438 5.451 1.00 . A A . 11 ASN HB2 1 1 7 2191 1 1 11 ASN HB3 H 2.446 -2.505 3.910 1.00 . A A . 11 ASN HB3 1 1 7 2192 1 1 11 ASN HD21 H 4.678 -2.155 7.366 1.00 . A A . 11 ASN HD21 1 1 7 2193 1 1 11 ASN HD22 H 2.852 -1.958 7.350 1.00 . A A . 11 ASN HD22 1 1 7 2194 1 1 11 ASN N N 0.522 -0.615 4.149 1.00 . A A . 11 ASN N 1 1 7 2195 1 1 11 ASN ND2 N 3.768 -2.068 6.900 1.00 . A A . 11 ASN ND2 1 1 7 2196 1 1 11 ASN O O 4.007 0.053 3.324 1.00 . A A . 11 ASN O 1 1 7 2197 1 1 11 ASN OD1 O 4.825 -2.202 4.955 1.00 . A A . 11 ASN OD1 1 1 7 2198 1 1 12 ASN C C 3.398 1.229 0.458 1.00 . A A . 12 ASN C 1 1 7 2199 1 1 12 ASN CA C 2.954 2.115 1.659 1.00 . A A . 12 ASN CA 1 1 7 2200 1 1 12 ASN CB C 3.976 3.059 2.320 1.00 . A A . 12 ASN CB 1 1 7 2201 1 1 12 ASN CG C 4.751 4.007 1.396 1.00 . A A . 12 ASN CG 1 1 7 2202 1 1 12 ASN H H 1.206 1.400 2.615 1.00 . A A . 12 ASN H 1 1 7 2203 1 1 12 ASN HA H 2.235 2.825 1.254 1.00 . A A . 12 ASN HA 1 1 7 2204 1 1 12 ASN HB2 H 3.458 3.630 3.121 1.00 . A A . 12 ASN HB2 1 1 7 2205 1 1 12 ASN HB3 H 4.678 2.476 2.875 1.00 . A A . 12 ASN HB3 1 1 7 2206 1 1 12 ASN HD21 H 4.794 5.978 0.975 1.00 . A A . 12 ASN HD21 1 1 7 2207 1 1 12 ASN HD22 H 3.543 5.218 2.126 1.00 . A A . 12 ASN HD22 1 1 7 2208 1 1 12 ASN N N 2.230 1.307 2.678 1.00 . A A . 12 ASN N 1 1 7 2209 1 1 12 ASN ND2 N 4.248 5.211 1.383 1.00 . A A . 12 ASN ND2 1 1 7 2210 1 1 12 ASN O O 4.589 1.082 0.193 1.00 . A A . 12 ASN O 1 1 7 2211 1 1 12 ASN OD1 O 5.758 3.689 0.763 1.00 . A A . 12 ASN OD1 1 1 7 2212 1 1 13 LYS C C 3.440 -1.524 -1.148 1.00 . A A . 13 LYS C 1 1 7 2213 1 1 13 LYS CA C 2.623 -0.231 -1.449 1.00 . A A . 13 LYS CA 1 1 7 2214 1 1 13 LYS CB C 3.121 0.570 -2.694 1.00 . A A . 13 LYS CB 1 1 7 2215 1 1 13 LYS CD C 0.808 1.317 -3.722 1.00 . A A . 13 LYS CD 1 1 7 2216 1 1 13 LYS CE C 0.734 0.358 -4.931 1.00 . A A . 13 LYS CE 1 1 7 2217 1 1 13 LYS CG C 2.217 1.713 -3.222 1.00 . A A . 13 LYS CG 1 1 7 2218 1 1 13 LYS H H 1.464 0.807 0.104 1.00 . A A . 13 LYS H 1 1 7 2219 1 1 13 LYS HA H 1.635 -0.618 -1.705 1.00 . A A . 13 LYS HA 1 1 7 2220 1 1 13 LYS HB2 H 4.117 0.993 -2.469 1.00 . A A . 13 LYS HB2 1 1 7 2221 1 1 13 LYS HB3 H 3.298 -0.133 -3.527 1.00 . A A . 13 LYS HB3 1 1 7 2222 1 1 13 LYS HD2 H 0.246 0.866 -2.884 1.00 . A A . 13 LYS HD2 1 1 7 2223 1 1 13 LYS HD3 H 0.245 2.240 -3.960 1.00 . A A . 13 LYS HD3 1 1 7 2224 1 1 13 LYS HE2 H 1.278 -0.580 -4.719 1.00 . A A . 13 LYS HE2 1 1 7 2225 1 1 13 LYS HE3 H -0.316 0.059 -5.092 1.00 . A A . 13 LYS HE3 1 1 7 2226 1 1 13 LYS HG2 H 2.108 2.477 -2.430 1.00 . A A . 13 LYS HG2 1 1 7 2227 1 1 13 LYS HG3 H 2.753 2.235 -4.036 1.00 . A A . 13 LYS HG3 1 1 7 2228 1 1 13 LYS HZ1 H 2.220 1.204 -6.078 1.00 . A A . 13 LYS HZ1 1 1 7 2229 1 1 13 LYS HZ2 H 0.690 1.776 -6.433 1.00 . A A . 13 LYS HZ2 1 1 7 2230 1 1 13 LYS HZ3 H 1.129 0.291 -6.958 1.00 . A A . 13 LYS HZ3 1 1 7 2231 1 1 13 LYS N N 2.408 0.656 -0.267 1.00 . A A . 13 LYS N 1 1 7 2232 1 1 13 LYS NZ N 1.247 0.952 -6.182 1.00 . A A . 13 LYS NZ 1 1 7 2233 1 1 13 LYS O O 4.346 -1.882 -1.906 1.00 . A A . 13 LYS O 1 1 7 2234 1 1 14 HIS C C 5.288 -3.265 0.545 1.00 . A A . 14 HIS C 1 1 7 2235 1 1 14 HIS CA C 3.757 -3.518 0.386 1.00 . A A . 14 HIS CA 1 1 7 2236 1 1 14 HIS CB C 3.389 -4.751 -0.490 1.00 . A A . 14 HIS CB 1 1 7 2237 1 1 14 HIS CD2 C 0.926 -4.807 -1.352 1.00 . A A . 14 HIS CD2 1 1 7 2238 1 1 14 HIS CE1 C 0.092 -6.066 0.114 1.00 . A A . 14 HIS CE1 1 1 7 2239 1 1 14 HIS CG C 1.918 -5.170 -0.420 1.00 . A A . 14 HIS CG 1 1 7 2240 1 1 14 HIS H H 2.300 -1.851 0.476 1.00 . A A . 14 HIS H 1 1 7 2241 1 1 14 HIS HA H 3.378 -3.732 1.396 1.00 . A A . 14 HIS HA 1 1 7 2242 1 1 14 HIS HB2 H 3.682 -4.571 -1.543 1.00 . A A . 14 HIS HB2 1 1 7 2243 1 1 14 HIS HB3 H 4.008 -5.615 -0.178 1.00 . A A . 14 HIS HB3 1 1 7 2244 1 1 14 HIS HD2 H 1.082 -4.177 -2.215 1.00 . A A . 14 HIS HD2 1 1 7 2245 1 1 14 HIS HE1 H -0.638 -6.648 0.657 1.00 . A A . 14 HIS HE1 1 1 7 2246 1 1 14 HIS HE2 H -1.194 -5.328 -1.480 1.00 . A A . 14 HIS HE2 1 1 7 2247 1 1 14 HIS N N 3.076 -2.257 -0.061 1.00 . A A . 14 HIS N 1 1 7 2248 1 1 14 HIS ND1 N 1.390 -6.004 0.562 1.00 . A A . 14 HIS ND1 1 1 7 2249 1 1 14 HIS NE2 N -0.282 -5.385 -1.014 1.00 . A A . 14 HIS NE2 1 1 7 2250 1 1 14 HIS O O 6.109 -3.846 -0.174 1.00 . A A . 14 HIS O 1 1 7 2251 1 1 15 LEU C C 7.720 -1.297 0.513 1.00 . A A . 15 LEU C 1 1 7 2252 1 1 15 LEU CA C 7.054 -1.965 1.778 1.00 . A A . 15 LEU CA 1 1 7 2253 1 1 15 LEU CB C 7.919 -3.110 2.405 1.00 . A A . 15 LEU CB 1 1 7 2254 1 1 15 LEU CD1 C 6.342 -4.811 3.592 1.00 . A A . 15 LEU CD1 1 1 7 2255 1 1 15 LEU CD2 C 8.723 -4.570 4.307 1.00 . A A . 15 LEU CD2 1 1 7 2256 1 1 15 LEU CG C 7.500 -3.780 3.758 1.00 . A A . 15 LEU CG 1 1 7 2257 1 1 15 LEU H H 4.884 -1.995 2.067 1.00 . A A . 15 LEU H 1 1 7 2258 1 1 15 LEU HA H 6.999 -1.140 2.505 1.00 . A A . 15 LEU HA 1 1 7 2259 1 1 15 LEU HB2 H 8.077 -3.896 1.639 1.00 . A A . 15 LEU HB2 1 1 7 2260 1 1 15 LEU HB3 H 8.928 -2.677 2.546 1.00 . A A . 15 LEU HB3 1 1 7 2261 1 1 15 LEU HD11 H 5.380 -4.353 3.300 1.00 . A A . 15 LEU HD11 1 1 7 2262 1 1 15 LEU HD12 H 6.559 -5.577 2.817 1.00 . A A . 15 LEU HD12 1 1 7 2263 1 1 15 LEU HD13 H 6.129 -5.376 4.519 1.00 . A A . 15 LEU HD13 1 1 7 2264 1 1 15 LEU HD21 H 9.068 -5.362 3.608 1.00 . A A . 15 LEU HD21 1 1 7 2265 1 1 15 LEU HD22 H 8.513 -5.083 5.266 1.00 . A A . 15 LEU HD22 1 1 7 2266 1 1 15 LEU HD23 H 9.600 -3.924 4.487 1.00 . A A . 15 LEU HD23 1 1 7 2267 1 1 15 LEU HG H 7.211 -2.974 4.497 1.00 . A A . 15 LEU HG 1 1 7 2268 1 1 15 LEU N N 5.648 -2.362 1.493 1.00 . A A . 15 LEU N 1 1 7 2269 1 1 15 LEU O O 8.916 -1.484 0.270 1.00 . A A . 15 LEU O 1 1 7 2270 1 1 16 ASN C C 8.046 -0.820 -2.528 1.00 . A A . 16 ASN C 1 1 7 2271 1 1 16 ASN CA C 7.431 0.200 -1.515 1.00 . A A . 16 ASN CA 1 1 7 2272 1 1 16 ASN CB C 8.232 1.452 -1.129 1.00 . A A . 16 ASN CB 1 1 7 2273 1 1 16 ASN CG C 8.591 2.403 -2.276 1.00 . A A . 16 ASN CG 1 1 7 2274 1 1 16 ASN H H 5.980 -0.328 0.014 1.00 . A A . 16 ASN H 1 1 7 2275 1 1 16 ASN HA H 6.549 0.644 -1.991 1.00 . A A . 16 ASN HA 1 1 7 2276 1 1 16 ASN HB2 H 7.662 1.977 -0.331 1.00 . A A . 16 ASN HB2 1 1 7 2277 1 1 16 ASN HB3 H 9.137 1.172 -0.629 1.00 . A A . 16 ASN HB3 1 1 7 2278 1 1 16 ASN HD21 H 8.056 4.242 -2.918 1.00 . A A . 16 ASN HD21 1 1 7 2279 1 1 16 ASN HD22 H 7.223 3.392 -1.482 1.00 . A A . 16 ASN HD22 1 1 7 2280 1 1 16 ASN N N 6.955 -0.488 -0.283 1.00 . A A . 16 ASN N 1 1 7 2281 1 1 16 ASN ND2 N 7.803 3.443 -2.326 1.00 . A A . 16 ASN ND2 1 1 7 2282 1 1 16 ASN O O 9.234 -0.762 -2.856 1.00 . A A . 16 ASN O 1 1 7 2283 1 1 16 ASN OD1 O 9.530 2.228 -3.051 1.00 . A A . 16 ASN OD1 1 1 7 2284 1 1 17 GLU C C 8.782 -3.719 -3.475 1.00 . A A . 17 GLU C 1 1 7 2285 1 1 17 GLU CA C 7.540 -2.874 -3.895 1.00 . A A . 17 GLU CA 1 1 7 2286 1 1 17 GLU CB C 7.473 -2.375 -5.341 1.00 . A A . 17 GLU CB 1 1 7 2287 1 1 17 GLU CD C 6.021 -1.354 -7.205 1.00 . A A . 17 GLU CD 1 1 7 2288 1 1 17 GLU CG C 6.097 -1.807 -5.746 1.00 . A A . 17 GLU CG 1 1 7 2289 1 1 17 GLU H H 6.201 -1.602 -2.925 1.00 . A A . 17 GLU H 1 1 7 2290 1 1 17 GLU HA H 6.674 -3.537 -3.869 1.00 . A A . 17 GLU HA 1 1 7 2291 1 1 17 GLU HB2 H 8.280 -1.655 -5.511 1.00 . A A . 17 GLU HB2 1 1 7 2292 1 1 17 GLU HB3 H 7.672 -3.242 -5.967 1.00 . A A . 17 GLU HB3 1 1 7 2293 1 1 17 GLU HE2 H 5.613 -2.088 -8.961 1.00 . A A . 17 GLU HE2 1 1 7 2294 1 1 17 GLU HG2 H 5.307 -2.546 -5.518 1.00 . A A . 17 GLU HG2 1 1 7 2295 1 1 17 GLU HG3 H 5.857 -0.970 -5.077 1.00 . A A . 17 GLU HG3 1 1 7 2296 1 1 17 GLU N N 7.205 -1.793 -2.955 1.00 . A A . 17 GLU N 1 1 7 2297 1 1 17 GLU O O 9.811 -3.720 -4.157 1.00 . A A . 17 GLU O 1 1 7 2298 1 1 17 GLU OE1 O 6.258 -0.203 -7.570 1.00 . A A . 17 GLU OE1 1 1 7 2299 1 1 17 GLU OE2 O 5.660 -2.375 -8.046 1.00 . A A . 17 GLU OE2 1 1 7 2300 1 1 18 HIS C C 11.043 -4.522 -1.441 1.00 . A A . 18 HIS C 1 1 7 2301 1 1 18 HIS CA C 9.704 -5.279 -1.710 1.00 . A A . 18 HIS CA 1 1 7 2302 1 1 18 HIS CB C 9.796 -6.594 -2.520 1.00 . A A . 18 HIS CB 1 1 7 2303 1 1 18 HIS CD2 C 10.740 -8.972 -2.450 1.00 . A A . 18 HIS CD2 1 1 7 2304 1 1 18 HIS CE1 C 11.522 -9.015 -0.501 1.00 . A A . 18 HIS CE1 1 1 7 2305 1 1 18 HIS CG C 10.540 -7.731 -1.837 1.00 . A A . 18 HIS CG 1 1 7 2306 1 1 18 HIS H H 7.713 -4.424 -1.922 1.00 . A A . 18 HIS H 1 1 7 2307 1 1 18 HIS HA H 9.304 -5.586 -0.724 1.00 . A A . 18 HIS HA 1 1 7 2308 1 1 18 HIS HB2 H 8.774 -6.960 -2.736 1.00 . A A . 18 HIS HB2 1 1 7 2309 1 1 18 HIS HB3 H 10.235 -6.389 -3.511 1.00 . A A . 18 HIS HB3 1 1 7 2310 1 1 18 HIS HD2 H 10.388 -9.210 -3.443 1.00 . A A . 18 HIS HD2 1 1 7 2311 1 1 18 HIS HE1 H 11.997 -9.384 0.397 1.00 . A A . 18 HIS HE1 1 1 7 2312 1 1 18 HIS HE2 H 11.670 -10.813 -1.721 1.00 . A A . 18 HIS HE2 1 1 7 2313 1 1 18 HIS N N 8.656 -4.410 -2.314 1.00 . A A . 18 HIS N 1 1 7 2314 1 1 18 HIS ND1 N 11.036 -7.729 -0.539 1.00 . A A . 18 HIS ND1 1 1 7 2315 1 1 18 HIS NE2 N 11.394 -9.833 -1.592 1.00 . A A . 18 HIS NE2 1 1 7 2316 1 1 18 HIS O O 12.001 -4.633 -2.212 1.00 . A A . 18 HIS O 1 1 7 2317 1 1 19 ALA C C 12.082 -2.600 1.576 1.00 . A A . 19 ALA C 1 1 7 2318 1 1 19 ALA CA C 12.243 -2.945 0.071 1.00 . A A . 19 ALA CA 1 1 7 2319 1 1 19 ALA CB C 12.421 -1.679 -0.799 1.00 . A A . 19 ALA CB 1 1 7 2320 1 1 19 ALA H H 10.260 -3.826 0.273 1.00 . A A . 19 ALA H 1 1 7 2321 1 1 19 ALA HA H 13.135 -3.579 -0.063 1.00 . A A . 19 ALA HA 1 1 7 2322 1 1 19 ALA HB1 H 13.301 -1.090 -0.480 1.00 . A A . 19 ALA HB1 1 1 7 2323 1 1 19 ALA HB2 H 12.580 -1.932 -1.864 1.00 . A A . 19 ALA HB2 1 1 7 2324 1 1 19 ALA HB3 H 11.542 -1.008 -0.752 1.00 . A A . 19 ALA HB3 1 1 7 2325 1 1 19 ALA N N 11.067 -3.737 -0.345 1.00 . A A . 19 ALA N 1 1 7 2326 1 1 19 ALA O O 11.419 -1.621 1.937 1.00 . A A . 19 ALA O 1 1 7 2327 1 1 20 HIS C C 13.689 -2.165 4.411 1.00 . A A . 20 HIS C 1 1 7 2328 1 1 20 HIS CA C 12.660 -3.229 3.921 1.00 . A A . 20 HIS CA 1 1 7 2329 1 1 20 HIS CB C 12.753 -4.614 4.615 1.00 . A A . 20 HIS CB 1 1 7 2330 1 1 20 HIS CD2 C 12.282 -5.771 6.854 1.00 . A A . 20 HIS CD2 1 1 7 2331 1 1 20 HIS CE1 C 11.363 -4.199 7.900 1.00 . A A . 20 HIS CE1 1 1 7 2332 1 1 20 HIS CG C 12.261 -4.623 6.054 1.00 . A A . 20 HIS CG 1 1 7 2333 1 1 20 HIS H H 13.113 -4.260 2.051 1.00 . A A . 20 HIS H 1 1 7 2334 1 1 20 HIS HXT H 15.559 -1.704 4.722 1.00 . A A . 20 HIS HXT 1 1 7 2335 1 1 20 HIS HA H 11.652 -2.860 4.159 1.00 . A A . 20 HIS HA 1 1 7 2336 1 1 20 HIS HB2 H 12.145 -5.366 4.075 1.00 . A A . 20 HIS HB2 1 1 7 2337 1 1 20 HIS HB3 H 13.785 -5.010 4.574 1.00 . A A . 20 HIS HB3 1 1 7 2338 1 1 20 HIS HD2 H 12.664 -6.725 6.522 1.00 . A A . 20 HIS HD2 1 1 7 2339 1 1 20 HIS HE1 H 10.858 -3.661 8.690 1.00 . A A . 20 HIS HE1 1 1 7 2340 1 1 20 HIS HE2 H 11.539 -6.137 8.878 1.00 . A A . 20 HIS HE2 1 1 7 2341 1 1 20 HIS N N 12.710 -3.413 2.451 1.00 . A A . 20 HIS N 1 1 7 2342 1 1 20 HIS ND1 N 11.649 -3.564 6.714 1.00 . A A . 20 HIS ND1 1 1 7 2343 1 1 20 HIS NE2 N 11.703 -5.514 8.080 1.00 . A A . 20 HIS NE2 1 1 7 2344 1 1 20 HIS O O 13.301 -1.070 4.817 1.00 . A A . 20 HIS O 1 1 7 2345 1 1 20 HIS OXT O 15.066 -2.458 4.390 1.00 . A A . 20 HIS OXT 1 1 8 2346 1 1 1 SER C C -11.851 -1.001 2.324 1.00 . A A . 1 SER C 1 1 8 2347 1 1 1 SER CA C -13.358 -1.415 2.388 1.00 . A A . 1 SER CA 1 1 8 2348 1 1 1 SER CB C -13.993 -1.291 3.780 1.00 . A A . 1 SER CB 1 1 8 2349 1 1 1 SER H1 H -12.809 -2.741 1.317 1.00 . A A . 1 SER H1 1 1 8 2350 1 1 1 SER H2 H -14.206 -2.955 1.105 1.00 . A A . 1 SER H2 1 1 8 2351 1 1 1 SER H3 H -13.207 -3.560 2.417 1.00 . A A . 1 SER H3 1 1 8 2352 1 1 1 SER HA H -13.912 -0.724 1.771 1.00 . A A . 1 SER HA 1 1 8 2353 1 1 1 SER HB2 H -14.985 -1.784 3.816 1.00 . A A . 1 SER HB2 1 1 8 2354 1 1 1 SER HB3 H -13.352 -1.811 4.499 1.00 . A A . 1 SER HB3 1 1 8 2355 1 1 1 SER HG H -14.712 0.473 3.514 1.00 . A A . 1 SER HG 1 1 8 2356 1 1 1 SER N N -13.623 -2.790 1.913 1.00 . A A . 1 SER N 1 1 8 2357 1 1 1 SER O O -11.315 -0.388 3.254 1.00 . A A . 1 SER O 1 1 8 2358 1 1 1 SER OG O -14.132 0.071 4.165 1.00 . A A . 1 SER OG 1 1 8 2359 1 1 2 ASP C C -9.371 -0.499 -0.496 1.00 . A A . 2 ASP C 1 1 8 2360 1 1 2 ASP CA C -9.756 -1.012 0.933 1.00 . A A . 2 ASP CA 1 1 8 2361 1 1 2 ASP CB C -8.895 -2.234 1.375 1.00 . A A . 2 ASP CB 1 1 8 2362 1 1 2 ASP CG C -8.568 -2.286 2.876 1.00 . A A . 2 ASP CG 1 1 8 2363 1 1 2 ASP H H -11.670 -1.952 0.574 1.00 . A A . 2 ASP H 1 1 8 2364 1 1 2 ASP HA H -9.556 -0.128 1.525 1.00 . A A . 2 ASP HA 1 1 8 2365 1 1 2 ASP HB2 H -9.342 -3.202 1.077 1.00 . A A . 2 ASP HB2 1 1 8 2366 1 1 2 ASP HB3 H -7.969 -2.248 0.797 1.00 . A A . 2 ASP HB3 1 1 8 2367 1 1 2 ASP HD2 H -7.540 -0.666 2.549 1.00 . A A . 2 ASP HD2 1 1 8 2368 1 1 2 ASP N N -11.185 -1.314 1.195 1.00 . A A . 2 ASP N 1 1 8 2369 1 1 2 ASP O O -8.351 0.176 -0.663 1.00 . A A . 2 ASP O 1 1 8 2370 1 1 2 ASP OD1 O -8.994 -3.163 3.627 1.00 . A A . 2 ASP OD1 1 1 8 2371 1 1 2 ASP OD2 O -7.765 -1.249 3.278 1.00 . A A . 2 ASP OD2 1 1 8 2372 1 1 3 THR C C -8.969 0.290 -3.491 1.00 . A A . 3 THR C 1 1 8 2373 1 1 3 THR CA C -10.223 -0.446 -2.901 1.00 . A A . 3 THR CA 1 1 8 2374 1 1 3 THR CB C -11.676 0.171 -3.064 1.00 . A A . 3 THR CB 1 1 8 2375 1 1 3 THR CG2 C -11.922 1.512 -2.322 1.00 . A A . 3 THR CG2 1 1 8 2376 1 1 3 THR H H -11.132 -0.571 -1.033 1.00 . A A . 3 THR H 1 1 8 2377 1 1 3 THR HA H -10.251 -1.393 -3.448 1.00 . A A . 3 THR HA 1 1 8 2378 1 1 3 THR HB H -12.426 -0.552 -2.684 1.00 . A A . 3 THR HB 1 1 8 2379 1 1 3 THR HG1 H -11.360 0.989 -4.775 1.00 . A A . 3 THR HG1 1 1 8 2380 1 1 3 THR HG21 H -11.273 2.326 -2.689 1.00 . A A . 3 THR HG21 1 1 8 2381 1 1 3 THR HG22 H -11.710 1.421 -1.240 1.00 . A A . 3 THR HG22 1 1 8 2382 1 1 3 THR HG23 H -12.965 1.846 -2.424 1.00 . A A . 3 THR HG23 1 1 8 2383 1 1 3 THR N N -10.240 -0.803 -1.464 1.00 . A A . 3 THR N 1 1 8 2384 1 1 3 THR O O -7.836 -0.194 -3.438 1.00 . A A . 3 THR O 1 1 8 2385 1 1 3 THR OG1 O -11.992 0.349 -4.439 1.00 . A A . 3 THR OG1 1 1 8 2386 1 1 4 ARG C C -7.951 3.530 -3.674 1.00 . A A . 4 ARG C 1 1 8 2387 1 1 4 ARG CA C -8.332 2.408 -4.683 1.00 . A A . 4 ARG CA 1 1 8 2388 1 1 4 ARG CB C -8.995 3.050 -5.933 1.00 . A A . 4 ARG CB 1 1 8 2389 1 1 4 ARG CD C -10.429 1.211 -7.157 1.00 . A A . 4 ARG CD 1 1 8 2390 1 1 4 ARG CG C -9.173 2.130 -7.161 1.00 . A A . 4 ARG CG 1 1 8 2391 1 1 4 ARG CZ C -11.569 -0.333 -8.768 1.00 . A A . 4 ARG CZ 1 1 8 2392 1 1 4 ARG H H -10.263 1.591 -4.056 1.00 . A A . 4 ARG H 1 1 8 2393 1 1 4 ARG HA H -7.423 1.862 -4.965 1.00 . A A . 4 ARG HA 1 1 8 2394 1 1 4 ARG HB2 H -9.962 3.531 -5.678 1.00 . A A . 4 ARG HB2 1 1 8 2395 1 1 4 ARG HB3 H -8.363 3.899 -6.259 1.00 . A A . 4 ARG HB3 1 1 8 2396 1 1 4 ARG HD2 H -10.362 0.437 -6.366 1.00 . A A . 4 ARG HD2 1 1 8 2397 1 1 4 ARG HD3 H -11.355 1.777 -6.915 1.00 . A A . 4 ARG HD3 1 1 8 2398 1 1 4 ARG HE H -9.911 0.752 -9.189 1.00 . A A . 4 ARG HE 1 1 8 2399 1 1 4 ARG HG2 H -9.199 2.798 -8.043 1.00 . A A . 4 ARG HG2 1 1 8 2400 1 1 4 ARG HG3 H -8.244 1.538 -7.288 1.00 . A A . 4 ARG HG3 1 1 8 2401 1 1 4 ARG HH11 H -10.842 -0.558 -10.620 1.00 . A A . 4 ARG HH11 1 1 8 2402 1 1 4 ARG HH12 H -12.343 -1.518 -10.184 1.00 . A A . 4 ARG HH12 1 1 8 2403 1 1 4 ARG HH21 H -13.215 -1.375 -8.261 1.00 . A A . 4 ARG HH21 1 1 8 2404 1 1 4 ARG HH22 H -12.489 -0.283 -6.978 1.00 . A A . 4 ARG HH22 1 1 8 2405 1 1 4 ARG N N -9.260 1.441 -4.074 1.00 . A A . 4 ARG N 1 1 8 2406 1 1 4 ARG NE N -10.587 0.540 -8.469 1.00 . A A . 4 ARG NE 1 1 8 2407 1 1 4 ARG NH1 N -11.586 -0.856 -9.980 1.00 . A A . 4 ARG NH1 1 1 8 2408 1 1 4 ARG NH2 N -12.523 -0.702 -7.914 1.00 . A A . 4 ARG NH2 1 1 8 2409 1 1 4 ARG O O -6.788 3.938 -3.628 1.00 . A A . 4 ARG O 1 1 8 2410 1 1 5 TYR C C -7.746 4.633 -0.724 1.00 . A A . 5 TYR C 1 1 8 2411 1 1 5 TYR CA C -8.721 5.074 -1.856 1.00 . A A . 5 TYR CA 1 1 8 2412 1 1 5 TYR CB C -10.050 5.662 -1.305 1.00 . A A . 5 TYR CB 1 1 8 2413 1 1 5 TYR CD1 C -9.757 8.171 -0.928 1.00 . A A . 5 TYR CD1 1 1 8 2414 1 1 5 TYR CD2 C -9.949 6.740 1.009 1.00 . A A . 5 TYR CD2 1 1 8 2415 1 1 5 TYR CE1 C -9.627 9.280 -0.095 1.00 . A A . 5 TYR CE1 1 1 8 2416 1 1 5 TYR CE2 C -9.817 7.850 1.840 1.00 . A A . 5 TYR CE2 1 1 8 2417 1 1 5 TYR CG C -9.919 6.893 -0.383 1.00 . A A . 5 TYR CG 1 1 8 2418 1 1 5 TYR CZ C -9.657 9.119 1.289 1.00 . A A . 5 TYR CZ 1 1 8 2419 1 1 5 TYR H H -9.816 3.537 -3.025 1.00 . A A . 5 TYR H 1 1 8 2420 1 1 5 TYR HA H -8.267 5.904 -2.375 1.00 . A A . 5 TYR HA 1 1 8 2421 1 1 5 TYR HB2 H -10.731 5.942 -2.134 1.00 . A A . 5 TYR HB2 1 1 8 2422 1 1 5 TYR HB3 H -10.568 4.862 -0.767 1.00 . A A . 5 TYR HB3 1 1 8 2423 1 1 5 TYR HD1 H -9.727 8.311 -2.000 1.00 . A A . 5 TYR HD1 1 1 8 2424 1 1 5 TYR HD2 H -10.066 5.761 1.452 1.00 . A A . 5 TYR HD2 1 1 8 2425 1 1 5 TYR HE1 H -9.501 10.263 -0.525 1.00 . A A . 5 TYR HE1 1 1 8 2426 1 1 5 TYR HE2 H -9.839 7.721 2.913 1.00 . A A . 5 TYR HE2 1 1 8 2427 1 1 5 TYR HH H -9.427 10.999 1.569 1.00 . A A . 5 TYR HH 1 1 8 2428 1 1 5 TYR N N -8.936 4.038 -2.896 1.00 . A A . 5 TYR N 1 1 8 2429 1 1 5 TYR O O -6.881 5.440 -0.367 1.00 . A A . 5 TYR O 1 1 8 2430 1 1 5 TYR OH O -9.528 10.212 2.110 1.00 . A A . 5 TYR OH 1 1 8 2431 1 1 6 ASN C C -5.599 2.335 0.460 1.00 . A A . 6 ASN C 1 1 8 2432 1 1 6 ASN CA C -6.965 2.934 0.908 1.00 . A A . 6 ASN CA 1 1 8 2433 1 1 6 ASN CB C -7.607 2.040 2.000 1.00 . A A . 6 ASN CB 1 1 8 2434 1 1 6 ASN CG C -8.935 2.546 2.607 1.00 . A A . 6 ASN CG 1 1 8 2435 1 1 6 ASN H H -8.526 2.772 -0.633 1.00 . A A . 6 ASN H 1 1 8 2436 1 1 6 ASN HA H -6.739 3.848 1.451 1.00 . A A . 6 ASN HA 1 1 8 2437 1 1 6 ASN HB2 H -7.724 1.014 1.625 1.00 . A A . 6 ASN HB2 1 1 8 2438 1 1 6 ASN HB3 H -6.863 1.927 2.821 1.00 . A A . 6 ASN HB3 1 1 8 2439 1 1 6 ASN HD21 H -9.762 3.692 4.032 1.00 . A A . 6 ASN HD21 1 1 8 2440 1 1 6 ASN HD22 H -7.930 3.601 3.982 1.00 . A A . 6 ASN HD22 1 1 8 2441 1 1 6 ASN N N -7.866 3.400 -0.175 1.00 . A A . 6 ASN N 1 1 8 2442 1 1 6 ASN ND2 N -8.870 3.354 3.655 1.00 . A A . 6 ASN ND2 1 1 8 2443 1 1 6 ASN O O -4.721 2.317 1.320 1.00 . A A . 6 ASN O 1 1 8 2444 1 1 6 ASN OD1 O -10.024 2.238 2.125 1.00 . A A . 6 ASN OD1 1 1 8 2445 1 1 7 LYS C C -2.789 2.249 -0.981 1.00 . A A . 7 LYS C 1 1 8 2446 1 1 7 LYS CA C -4.024 1.331 -1.237 1.00 . A A . 7 LYS CA 1 1 8 2447 1 1 7 LYS CB C -4.123 0.466 -2.514 1.00 . A A . 7 LYS CB 1 1 8 2448 1 1 7 LYS CD C -3.977 2.433 -4.090 1.00 . A A . 7 LYS CD 1 1 8 2449 1 1 7 LYS CE C -2.478 2.265 -4.378 1.00 . A A . 7 LYS CE 1 1 8 2450 1 1 7 LYS CG C -4.690 1.128 -3.763 1.00 . A A . 7 LYS CG 1 1 8 2451 1 1 7 LYS H H -6.200 1.781 -1.379 1.00 . A A . 7 LYS H 1 1 8 2452 1 1 7 LYS HA H -3.729 0.569 -0.570 1.00 . A A . 7 LYS HA 1 1 8 2453 1 1 7 LYS HB2 H -3.127 0.039 -2.742 1.00 . A A . 7 LYS HB2 1 1 8 2454 1 1 7 LYS HB3 H -4.748 -0.422 -2.299 1.00 . A A . 7 LYS HB3 1 1 8 2455 1 1 7 LYS HD2 H -4.520 2.876 -4.920 1.00 . A A . 7 LYS HD2 1 1 8 2456 1 1 7 LYS HD3 H -4.119 3.103 -3.222 1.00 . A A . 7 LYS HD3 1 1 8 2457 1 1 7 LYS HE2 H -1.936 2.129 -3.422 1.00 . A A . 7 LYS HE2 1 1 8 2458 1 1 7 LYS HE3 H -2.312 1.321 -4.920 1.00 . A A . 7 LYS HE3 1 1 8 2459 1 1 7 LYS HG2 H -4.645 0.426 -4.616 1.00 . A A . 7 LYS HG2 1 1 8 2460 1 1 7 LYS HG3 H -5.759 1.335 -3.593 1.00 . A A . 7 LYS HG3 1 1 8 2461 1 1 7 LYS HZ1 H -2.389 3.526 -6.000 1.00 . A A . 7 LYS HZ1 1 1 8 2462 1 1 7 LYS HZ2 H -0.914 3.292 -5.248 1.00 . A A . 7 LYS HZ2 1 1 8 2463 1 1 7 LYS HZ3 H -2.021 4.270 -4.549 1.00 . A A . 7 LYS HZ3 1 1 8 2464 1 1 7 LYS N N -5.364 1.864 -0.793 1.00 . A A . 7 LYS N 1 1 8 2465 1 1 7 LYS NZ N -1.923 3.417 -5.110 1.00 . A A . 7 LYS NZ 1 1 8 2466 1 1 7 LYS O O -1.689 1.711 -0.798 1.00 . A A . 7 LYS O 1 1 8 2467 1 1 8 ASP C C -1.391 4.241 0.870 1.00 . A A . 8 ASP C 1 1 8 2468 1 1 8 ASP CA C -1.799 4.518 -0.640 1.00 . A A . 8 ASP CA 1 1 8 2469 1 1 8 ASP CB C -2.170 5.974 -0.969 1.00 . A A . 8 ASP CB 1 1 8 2470 1 1 8 ASP CG C -1.023 6.983 -0.819 1.00 . A A . 8 ASP CG 1 1 8 2471 1 1 8 ASP H H -3.869 3.927 -1.236 1.00 . A A . 8 ASP H 1 1 8 2472 1 1 8 ASP HA H -0.955 4.283 -1.288 1.00 . A A . 8 ASP HA 1 1 8 2473 1 1 8 ASP HB2 H -2.570 6.047 -2.001 1.00 . A A . 8 ASP HB2 1 1 8 2474 1 1 8 ASP HB3 H -2.988 6.257 -0.299 1.00 . A A . 8 ASP HB3 1 1 8 2475 1 1 8 ASP HD2 H 0.485 7.671 -1.839 1.00 . A A . 8 ASP HD2 1 1 8 2476 1 1 8 ASP N N -2.933 3.595 -0.971 1.00 . A A . 8 ASP N 1 1 8 2477 1 1 8 ASP O O -0.204 4.142 1.188 1.00 . A A . 8 ASP O 1 1 8 2478 1 1 8 ASP OD1 O -0.842 7.656 0.196 1.00 . A A . 8 ASP OD1 1 1 8 2479 1 1 8 ASP OD2 O -0.232 7.040 -1.937 1.00 . A A . 8 ASP OD2 1 1 8 2480 1 1 9 PHE C C -1.958 2.241 3.465 1.00 . A A . 9 PHE C 1 1 8 2481 1 1 9 PHE CA C -2.276 3.758 3.184 1.00 . A A . 9 PHE CA 1 1 8 2482 1 1 9 PHE CB C -3.509 4.271 3.970 1.00 . A A . 9 PHE CB 1 1 8 2483 1 1 9 PHE CD1 C -2.681 5.609 5.976 1.00 . A A . 9 PHE CD1 1 1 8 2484 1 1 9 PHE CD2 C -3.769 3.488 6.388 1.00 . A A . 9 PHE CD2 1 1 8 2485 1 1 9 PHE CE1 C -2.503 5.783 7.354 1.00 . A A . 9 PHE CE1 1 1 8 2486 1 1 9 PHE CE2 C -3.589 3.665 7.765 1.00 . A A . 9 PHE CE2 1 1 8 2487 1 1 9 PHE CG C -3.312 4.459 5.488 1.00 . A A . 9 PHE CG 1 1 8 2488 1 1 9 PHE CZ C -2.957 4.810 8.239 1.00 . A A . 9 PHE CZ 1 1 8 2489 1 1 9 PHE H H -3.319 4.294 1.336 1.00 . A A . 9 PHE H 1 1 8 2490 1 1 9 PHE HA H -1.445 4.338 3.542 1.00 . A A . 9 PHE HA 1 1 8 2491 1 1 9 PHE HB2 H -3.868 5.232 3.552 1.00 . A A . 9 PHE HB2 1 1 8 2492 1 1 9 PHE HB3 H -4.327 3.567 3.788 1.00 . A A . 9 PHE HB3 1 1 8 2493 1 1 9 PHE HD1 H -2.340 6.351 5.260 1.00 . A A . 9 PHE HD1 1 1 8 2494 1 1 9 PHE HD2 H -4.258 2.604 5.988 1.00 . A A . 9 PHE HD2 1 1 8 2495 1 1 9 PHE HE1 H -2.019 6.658 7.775 1.00 . A A . 9 PHE HE1 1 1 8 2496 1 1 9 PHE HE2 H -3.925 2.937 8.497 1.00 . A A . 9 PHE HE2 1 1 8 2497 1 1 9 PHE HZ H -2.819 4.945 9.302 1.00 . A A . 9 PHE HZ 1 1 8 2498 1 1 9 PHE N N -2.410 4.088 1.753 1.00 . A A . 9 PHE N 1 1 8 2499 1 1 9 PHE O O -1.454 1.983 4.560 1.00 . A A . 9 PHE O 1 1 8 2500 1 1 10 ILE C C -0.363 -0.410 2.562 1.00 . A A . 10 ILE C 1 1 8 2501 1 1 10 ILE CA C -1.895 -0.187 2.725 1.00 . A A . 10 ILE CA 1 1 8 2502 1 1 10 ILE CB C -2.807 -1.114 1.867 1.00 . A A . 10 ILE CB 1 1 8 2503 1 1 10 ILE CD1 C -5.269 -1.337 1.085 1.00 . A A . 10 ILE CD1 1 1 8 2504 1 1 10 ILE CG1 C -4.308 -0.930 2.198 1.00 . A A . 10 ILE CG1 1 1 8 2505 1 1 10 ILE CG2 C -2.440 -2.622 1.941 1.00 . A A . 10 ILE CG2 1 1 8 2506 1 1 10 ILE H H -3.012 1.450 1.933 1.00 . A A . 10 ILE H 1 1 8 2507 1 1 10 ILE HA H -2.189 -0.468 3.737 1.00 . A A . 10 ILE HA 1 1 8 2508 1 1 10 ILE HB H -2.678 -0.792 0.844 1.00 . A A . 10 ILE HB 1 1 8 2509 1 1 10 ILE HD11 H -6.235 -0.824 1.221 1.00 . A A . 10 ILE HD11 1 1 8 2510 1 1 10 ILE HD12 H -5.434 -2.426 1.080 1.00 . A A . 10 ILE HD12 1 1 8 2511 1 1 10 ILE HD13 H -4.897 -1.051 0.090 1.00 . A A . 10 ILE HD13 1 1 8 2512 1 1 10 ILE HG12 H -4.523 -1.499 3.107 1.00 . A A . 10 ILE HG12 1 1 8 2513 1 1 10 ILE HG13 H -4.538 0.122 2.447 1.00 . A A . 10 ILE HG13 1 1 8 2514 1 1 10 ILE HG21 H -2.515 -3.014 2.973 1.00 . A A . 10 ILE HG21 1 1 8 2515 1 1 10 ILE HG22 H -3.100 -3.242 1.306 1.00 . A A . 10 ILE HG22 1 1 8 2516 1 1 10 ILE HG23 H -1.410 -2.819 1.593 1.00 . A A . 10 ILE HG23 1 1 8 2517 1 1 10 ILE N N -2.214 1.261 2.541 1.00 . A A . 10 ILE N 1 1 8 2518 1 1 10 ILE O O 0.208 -0.722 1.515 1.00 . A A . 10 ILE O 1 1 8 2519 1 1 11 ASN C C 2.614 0.510 3.149 1.00 . A A . 11 ASN C 1 1 8 2520 1 1 11 ASN CA C 1.643 -0.280 4.109 1.00 . A A . 11 ASN CA 1 1 8 2521 1 1 11 ASN CB C 1.922 -1.787 4.310 1.00 . A A . 11 ASN CB 1 1 8 2522 1 1 11 ASN CG C 3.206 -2.153 5.080 1.00 . A A . 11 ASN CG 1 1 8 2523 1 1 11 ASN H H -0.581 0.112 4.316 1.00 . A A . 11 ASN H 1 1 8 2524 1 1 11 ASN HA H 1.768 0.086 5.147 1.00 . A A . 11 ASN HA 1 1 8 2525 1 1 11 ASN HB2 H 1.053 -2.252 4.825 1.00 . A A . 11 ASN HB2 1 1 8 2526 1 1 11 ASN HB3 H 1.935 -2.240 3.318 1.00 . A A . 11 ASN HB3 1 1 8 2527 1 1 11 ASN HD21 H 3.994 -2.527 6.887 1.00 . A A . 11 ASN HD21 1 1 8 2528 1 1 11 ASN HD22 H 2.203 -2.128 6.813 1.00 . A A . 11 ASN HD22 1 1 8 2529 1 1 11 ASN N N 0.205 -0.195 3.745 1.00 . A A . 11 ASN N 1 1 8 2530 1 1 11 ASN ND2 N 3.126 -2.288 6.394 1.00 . A A . 11 ASN ND2 1 1 8 2531 1 1 11 ASN O O 3.771 0.100 3.016 1.00 . A A . 11 ASN O 1 1 8 2532 1 1 11 ASN OD1 O 4.277 -2.311 4.501 1.00 . A A . 11 ASN OD1 1 1 8 2533 1 1 12 ASN C C 3.447 1.560 0.355 1.00 . A A . 12 ASN C 1 1 8 2534 1 1 12 ASN CA C 3.057 2.443 1.577 1.00 . A A . 12 ASN CA 1 1 8 2535 1 1 12 ASN CB C 4.158 3.207 2.338 1.00 . A A . 12 ASN CB 1 1 8 2536 1 1 12 ASN CG C 5.085 4.105 1.507 1.00 . A A . 12 ASN CG 1 1 8 2537 1 1 12 ASN H H 1.214 1.912 2.509 1.00 . A A . 12 ASN H 1 1 8 2538 1 1 12 ASN HA H 2.446 3.256 1.189 1.00 . A A . 12 ASN HA 1 1 8 2539 1 1 12 ASN HB2 H 3.678 3.787 3.156 1.00 . A A . 12 ASN HB2 1 1 8 2540 1 1 12 ASN HB3 H 4.760 2.508 2.877 1.00 . A A . 12 ASN HB3 1 1 8 2541 1 1 12 ASN HD21 H 5.393 6.079 1.227 1.00 . A A . 12 ASN HD21 1 1 8 2542 1 1 12 ASN HD22 H 4.004 5.410 2.274 1.00 . A A . 12 ASN HD22 1 1 8 2543 1 1 12 ASN N N 2.205 1.654 2.507 1.00 . A A . 12 ASN N 1 1 8 2544 1 1 12 ASN ND2 N 4.741 5.362 1.564 1.00 . A A . 12 ASN ND2 1 1 8 2545 1 1 12 ASN O O 4.631 1.323 0.123 1.00 . A A . 12 ASN O 1 1 8 2546 1 1 12 ASN OD1 O 6.066 3.702 0.882 1.00 . A A . 12 ASN OD1 1 1 8 2547 1 1 13 LYS C C 3.305 -1.180 -1.273 1.00 . A A . 13 LYS C 1 1 8 2548 1 1 13 LYS CA C 2.655 0.200 -1.605 1.00 . A A . 13 LYS CA 1 1 8 2549 1 1 13 LYS CB C 3.356 0.971 -2.769 1.00 . A A . 13 LYS CB 1 1 8 2550 1 1 13 LYS CD C 1.267 1.790 -4.097 1.00 . A A . 13 LYS CD 1 1 8 2551 1 1 13 LYS CE C 1.480 0.997 -5.405 1.00 . A A . 13 LYS CE 1 1 8 2552 1 1 13 LYS CG C 2.578 2.160 -3.377 1.00 . A A . 13 LYS CG 1 1 8 2553 1 1 13 LYS H H 1.486 1.317 -0.106 1.00 . A A . 13 LYS H 1 1 8 2554 1 1 13 LYS HA H 1.662 -0.080 -1.957 1.00 . A A . 13 LYS HA 1 1 8 2555 1 1 13 LYS HB2 H 4.339 1.340 -2.424 1.00 . A A . 13 LYS HB2 1 1 8 2556 1 1 13 LYS HB3 H 3.600 0.267 -3.584 1.00 . A A . 13 LYS HB3 1 1 8 2557 1 1 13 LYS HD2 H 0.605 1.236 -3.402 1.00 . A A . 13 LYS HD2 1 1 8 2558 1 1 13 LYS HD3 H 0.731 2.732 -4.306 1.00 . A A . 13 LYS HD3 1 1 8 2559 1 1 13 LYS HE2 H 2.151 1.554 -6.085 1.00 . A A . 13 LYS HE2 1 1 8 2560 1 1 13 LYS HE3 H 1.982 0.035 -5.197 1.00 . A A . 13 LYS HE3 1 1 8 2561 1 1 13 LYS HG2 H 2.356 2.894 -2.581 1.00 . A A . 13 LYS HG2 1 1 8 2562 1 1 13 LYS HG3 H 3.239 2.702 -4.079 1.00 . A A . 13 LYS HG3 1 1 8 2563 1 1 13 LYS HZ1 H -0.399 0.175 -5.518 1.00 . A A . 13 LYS HZ1 1 1 8 2564 1 1 13 LYS HZ2 H 0.403 0.222 -6.984 1.00 . A A . 13 LYS HZ2 1 1 8 2565 1 1 13 LYS HZ3 H -0.236 1.599 -6.378 1.00 . A A . 13 LYS HZ3 1 1 8 2566 1 1 13 LYS N N 2.439 1.071 -0.411 1.00 . A A . 13 LYS N 1 1 8 2567 1 1 13 LYS NZ N 0.216 0.719 -6.106 1.00 . A A . 13 LYS NZ 1 1 8 2568 1 1 13 LYS O O 4.182 -1.640 -2.009 1.00 . A A . 13 LYS O 1 1 8 2569 1 1 14 HIS C C 4.917 -3.107 0.452 1.00 . A A . 14 HIS C 1 1 8 2570 1 1 14 HIS CA C 3.372 -3.211 0.238 1.00 . A A . 14 HIS CA 1 1 8 2571 1 1 14 HIS CB C 2.917 -4.364 -0.695 1.00 . A A . 14 HIS CB 1 1 8 2572 1 1 14 HIS CD2 C 2.558 -6.036 1.249 1.00 . A A . 14 HIS CD2 1 1 8 2573 1 1 14 HIS CE1 C 3.713 -7.642 0.537 1.00 . A A . 14 HIS CE1 1 1 8 2574 1 1 14 HIS CG C 3.086 -5.717 -0.013 1.00 . A A . 14 HIS CG 1 1 8 2575 1 1 14 HIS H H 2.082 -1.406 0.318 1.00 . A A . 14 HIS H 1 1 8 2576 1 1 14 HIS HA H 2.918 -3.417 1.222 1.00 . A A . 14 HIS HA 1 1 8 2577 1 1 14 HIS HB2 H 1.855 -4.244 -0.976 1.00 . A A . 14 HIS HB2 1 1 8 2578 1 1 14 HIS HB3 H 3.474 -4.330 -1.653 1.00 . A A . 14 HIS HB3 1 1 8 2579 1 1 14 HIS HD2 H 1.953 -5.379 1.857 1.00 . A A . 14 HIS HD2 1 1 8 2580 1 1 14 HIS HE1 H 4.203 -8.605 0.502 1.00 . A A . 14 HIS HE1 1 1 8 2581 1 1 14 HIS HE2 H 2.762 -7.827 2.486 1.00 . A A . 14 HIS HE2 1 1 8 2582 1 1 14 HIS N N 2.832 -1.881 -0.203 1.00 . A A . 14 HIS N 1 1 8 2583 1 1 14 HIS ND1 N 3.859 -6.762 -0.508 1.00 . A A . 14 HIS ND1 1 1 8 2584 1 1 14 HIS NE2 N 2.955 -7.303 1.626 1.00 . A A . 14 HIS NE2 1 1 8 2585 1 1 14 HIS O O 5.699 -3.757 -0.252 1.00 . A A . 14 HIS O 1 1 8 2586 1 1 15 LEU C C 7.513 -1.388 0.505 1.00 . A A . 15 LEU C 1 1 8 2587 1 1 15 LEU CA C 6.771 -2.015 1.748 1.00 . A A . 15 LEU CA 1 1 8 2588 1 1 15 LEU CB C 7.514 -3.256 2.345 1.00 . A A . 15 LEU CB 1 1 8 2589 1 1 15 LEU CD1 C 5.804 -4.960 3.320 1.00 . A A . 15 LEU CD1 1 1 8 2590 1 1 15 LEU CD2 C 8.128 -4.828 4.226 1.00 . A A . 15 LEU CD2 1 1 8 2591 1 1 15 LEU CG C 6.975 -3.974 3.627 1.00 . A A . 15 LEU CG 1 1 8 2592 1 1 15 LEU H H 4.605 -1.819 1.983 1.00 . A A . 15 LEU H 1 1 8 2593 1 1 15 LEU HA H 6.784 -1.213 2.502 1.00 . A A . 15 LEU HA 1 1 8 2594 1 1 15 LEU HB2 H 7.654 -4.006 1.541 1.00 . A A . 15 LEU HB2 1 1 8 2595 1 1 15 LEU HB3 H 8.541 -2.903 2.556 1.00 . A A . 15 LEU HB3 1 1 8 2596 1 1 15 LEU HD11 H 4.883 -4.460 2.974 1.00 . A A . 15 LEU HD11 1 1 8 2597 1 1 15 LEU HD12 H 6.061 -5.697 2.530 1.00 . A A . 15 LEU HD12 1 1 8 2598 1 1 15 LEU HD13 H 5.501 -5.558 4.201 1.00 . A A . 15 LEU HD13 1 1 8 2599 1 1 15 LEU HD21 H 9.012 -4.221 4.498 1.00 . A A . 15 LEU HD21 1 1 8 2600 1 1 15 LEU HD22 H 8.496 -5.599 3.516 1.00 . A A . 15 LEU HD22 1 1 8 2601 1 1 15 LEU HD23 H 7.829 -5.373 5.141 1.00 . A A . 15 LEU HD23 1 1 8 2602 1 1 15 LEU HG H 6.654 -3.191 4.378 1.00 . A A . 15 LEU HG 1 1 8 2603 1 1 15 LEU N N 5.339 -2.262 1.423 1.00 . A A . 15 LEU N 1 1 8 2604 1 1 15 LEU O O 8.669 -1.731 0.241 1.00 . A A . 15 LEU O 1 1 8 2605 1 1 16 ASN C C 7.968 -0.842 -2.490 1.00 . A A . 16 ASN C 1 1 8 2606 1 1 16 ASN CA C 7.424 0.210 -1.467 1.00 . A A . 16 ASN CA 1 1 8 2607 1 1 16 ASN CB C 8.333 1.362 -1.022 1.00 . A A . 16 ASN CB 1 1 8 2608 1 1 16 ASN CG C 8.798 2.326 -2.117 1.00 . A A . 16 ASN CG 1 1 8 2609 1 1 16 ASN H H 5.898 -0.216 0.025 1.00 . A A . 16 ASN H 1 1 8 2610 1 1 16 ASN HA H 6.601 0.747 -1.951 1.00 . A A . 16 ASN HA 1 1 8 2611 1 1 16 ASN HB2 H 7.818 1.908 -0.201 1.00 . A A . 16 ASN HB2 1 1 8 2612 1 1 16 ASN HB3 H 9.203 0.970 -0.537 1.00 . A A . 16 ASN HB3 1 1 8 2613 1 1 16 ASN HD21 H 8.446 4.236 -2.673 1.00 . A A . 16 ASN HD21 1 1 8 2614 1 1 16 ASN HD22 H 7.511 3.397 -1.296 1.00 . A A . 16 ASN HD22 1 1 8 2615 1 1 16 ASN N N 6.860 -0.457 -0.256 1.00 . A A . 16 ASN N 1 1 8 2616 1 1 16 ASN ND2 N 8.111 3.436 -2.125 1.00 . A A . 16 ASN ND2 1 1 8 2617 1 1 16 ASN O O 9.151 -0.849 -2.843 1.00 . A A . 16 ASN O 1 1 8 2618 1 1 16 ASN OD1 O 9.733 2.102 -2.885 1.00 . A A . 16 ASN OD1 1 1 8 2619 1 1 17 GLU C C 8.518 -3.773 -3.410 1.00 . A A . 17 GLU C 1 1 8 2620 1 1 17 GLU CA C 7.313 -2.874 -3.828 1.00 . A A . 17 GLU CA 1 1 8 2621 1 1 17 GLU CB C 7.249 -2.389 -5.280 1.00 . A A . 17 GLU CB 1 1 8 2622 1 1 17 GLU CD C 5.825 -1.296 -7.123 1.00 . A A . 17 GLU CD 1 1 8 2623 1 1 17 GLU CG C 5.896 -1.753 -5.667 1.00 . A A . 17 GLU CG 1 1 8 2624 1 1 17 GLU H H 6.086 -1.478 -2.900 1.00 . A A . 17 GLU H 1 1 8 2625 1 1 17 GLU HA H 6.407 -3.485 -3.767 1.00 . A A . 17 GLU HA 1 1 8 2626 1 1 17 GLU HB2 H 8.087 -1.710 -5.464 1.00 . A A . 17 GLU HB2 1 1 8 2627 1 1 17 GLU HB3 H 7.398 -3.268 -5.904 1.00 . A A . 17 GLU HB3 1 1 8 2628 1 1 17 GLU HE2 H 5.363 -2.008 -8.875 1.00 . A A . 17 GLU HE2 1 1 8 2629 1 1 17 GLU HG2 H 5.075 -2.452 -5.430 1.00 . A A . 17 GLU HG2 1 1 8 2630 1 1 17 GLU HG3 H 5.706 -0.903 -4.995 1.00 . A A . 17 GLU HG3 1 1 8 2631 1 1 17 GLU N N 7.066 -1.770 -2.891 1.00 . A A . 17 GLU N 1 1 8 2632 1 1 17 GLU O O 9.559 -3.783 -4.072 1.00 . A A . 17 GLU O 1 1 8 2633 1 1 17 GLU OE1 O 6.110 -0.156 -7.491 1.00 . A A . 17 GLU OE1 1 1 8 2634 1 1 17 GLU OE2 O 5.408 -2.298 -7.961 1.00 . A A . 17 GLU OE2 1 1 8 2635 1 1 18 HIS C C 10.627 -4.655 -1.172 1.00 . A A . 18 HIS C 1 1 8 2636 1 1 18 HIS CA C 9.351 -5.405 -1.665 1.00 . A A . 18 HIS CA 1 1 8 2637 1 1 18 HIS CB C 9.572 -6.620 -2.590 1.00 . A A . 18 HIS CB 1 1 8 2638 1 1 18 HIS CD2 C 10.574 -8.973 -2.685 1.00 . A A . 18 HIS CD2 1 1 8 2639 1 1 18 HIS CE1 C 11.193 -9.204 -0.690 1.00 . A A . 18 HIS CE1 1 1 8 2640 1 1 18 HIS CG C 10.284 -7.810 -1.966 1.00 . A A . 18 HIS CG 1 1 8 2641 1 1 18 HIS H H 7.397 -4.532 -1.915 1.00 . A A . 18 HIS H 1 1 8 2642 1 1 18 HIS HA H 8.844 -5.835 -0.778 1.00 . A A . 18 HIS HA 1 1 8 2643 1 1 18 HIS HB2 H 8.583 -6.976 -2.938 1.00 . A A . 18 HIS HB2 1 1 8 2644 1 1 18 HIS HB3 H 10.090 -6.300 -3.508 1.00 . A A . 18 HIS HB3 1 1 8 2645 1 1 18 HIS HD2 H 10.316 -9.110 -3.724 1.00 . A A . 18 HIS HD2 1 1 8 2646 1 1 18 HIS HE1 H 11.606 -9.655 0.201 1.00 . A A . 18 HIS HE1 1 1 8 2647 1 1 18 HIS HE2 H 11.501 -10.858 -2.074 1.00 . A A . 18 HIS HE2 1 1 8 2648 1 1 18 HIS N N 8.353 -4.486 -2.266 1.00 . A A . 18 HIS N 1 1 8 2649 1 1 18 HIS ND1 N 10.671 -7.933 -0.636 1.00 . A A . 18 HIS ND1 1 1 8 2650 1 1 18 HIS NE2 N 11.181 -9.905 -1.868 1.00 . A A . 18 HIS NE2 1 1 8 2651 1 1 18 HIS O O 11.515 -4.328 -1.964 1.00 . A A . 18 HIS O 1 1 8 2652 1 1 19 ALA C C 11.814 -2.207 0.645 1.00 . A A . 19 ALA C 1 1 8 2653 1 1 19 ALA CA C 11.809 -3.746 0.867 1.00 . A A . 19 ALA CA 1 1 8 2654 1 1 19 ALA CB C 13.200 -4.376 0.619 1.00 . A A . 19 ALA CB 1 1 8 2655 1 1 19 ALA H H 9.825 -4.687 0.651 1.00 . A A . 19 ALA H 1 1 8 2656 1 1 19 ALA HA H 11.609 -3.943 1.939 1.00 . A A . 19 ALA HA 1 1 8 2657 1 1 19 ALA HB1 H 13.963 -3.945 1.294 1.00 . A A . 19 ALA HB1 1 1 8 2658 1 1 19 ALA HB2 H 13.561 -4.219 -0.415 1.00 . A A . 19 ALA HB2 1 1 8 2659 1 1 19 ALA HB3 H 13.192 -5.467 0.802 1.00 . A A . 19 ALA HB3 1 1 8 2660 1 1 19 ALA N N 10.680 -4.412 0.155 1.00 . A A . 19 ALA N 1 1 8 2661 1 1 19 ALA O O 12.153 -1.728 -0.442 1.00 . A A . 19 ALA O 1 1 8 2662 1 1 20 HIS C C 12.805 0.635 1.942 1.00 . A A . 20 HIS C 1 1 8 2663 1 1 20 HIS CA C 11.397 0.032 1.669 1.00 . A A . 20 HIS CA 1 1 8 2664 1 1 20 HIS CB C 10.324 0.506 2.683 1.00 . A A . 20 HIS CB 1 1 8 2665 1 1 20 HIS CD2 C 8.907 2.540 3.345 1.00 . A A . 20 HIS CD2 1 1 8 2666 1 1 20 HIS CE1 C 9.457 3.892 1.835 1.00 . A A . 20 HIS CE1 1 1 8 2667 1 1 20 HIS CG C 9.869 1.950 2.515 1.00 . A A . 20 HIS CG 1 1 8 2668 1 1 20 HIS H H 11.054 -1.962 2.485 1.00 . A A . 20 HIS H 1 1 8 2669 1 1 20 HIS HXT H 14.308 1.653 1.227 1.00 . A A . 20 HIS HXT 1 1 8 2670 1 1 20 HIS HA H 11.024 0.324 0.675 1.00 . A A . 20 HIS HA 1 1 8 2671 1 1 20 HIS HB2 H 9.413 -0.120 2.601 1.00 . A A . 20 HIS HB2 1 1 8 2672 1 1 20 HIS HB3 H 10.674 0.357 3.723 1.00 . A A . 20 HIS HB3 1 1 8 2673 1 1 20 HIS HD2 H 8.435 2.032 4.172 1.00 . A A . 20 HIS HD2 1 1 8 2674 1 1 20 HIS HE1 H 9.476 4.786 1.228 1.00 . A A . 20 HIS HE1 1 1 8 2675 1 1 20 HIS HE2 H 7.957 4.509 3.287 1.00 . A A . 20 HIS HE2 1 1 8 2676 1 1 20 HIS N N 11.452 -1.448 1.699 1.00 . A A . 20 HIS N 1 1 8 2677 1 1 20 HIS ND1 N 10.255 2.822 1.504 1.00 . A A . 20 HIS ND1 1 1 8 2678 1 1 20 HIS NE2 N 8.629 3.824 2.924 1.00 . A A . 20 HIS NE2 1 1 8 2679 1 1 20 HIS O O 13.369 0.512 3.031 1.00 . A A . 20 HIS O 1 1 8 2680 1 1 20 HIS OXT O 13.455 1.343 0.913 1.00 . A A . 20 HIS OXT 1 1 9 2681 1 1 1 SER C C -6.675 -4.670 -3.181 1.00 . A A . 1 SER C 1 1 9 2682 1 1 1 SER CA C -5.209 -4.813 -3.722 1.00 . A A . 1 SER CA 1 1 9 2683 1 1 1 SER CB C -4.953 -6.120 -4.493 1.00 . A A . 1 SER CB 1 1 9 2684 1 1 1 SER H1 H -4.763 -4.235 -2.079 1.00 . A A . 1 SER H1 1 1 9 2685 1 1 1 SER H2 H -3.536 -3.850 -2.700 1.00 . A A . 1 SER H2 1 1 9 2686 1 1 1 SER H3 H -3.974 -5.427 -2.059 1.00 . A A . 1 SER H3 1 1 9 2687 1 1 1 SER HA H -5.077 -4.043 -4.461 1.00 . A A . 1 SER HA 1 1 9 2688 1 1 1 SER HB2 H -3.882 -6.239 -4.758 1.00 . A A . 1 SER HB2 1 1 9 2689 1 1 1 SER HB3 H -5.222 -6.961 -3.844 1.00 . A A . 1 SER HB3 1 1 9 2690 1 1 1 SER HG H -5.434 -5.433 -6.223 1.00 . A A . 1 SER HG 1 1 9 2691 1 1 1 SER N N -4.118 -4.674 -2.720 1.00 . A A . 1 SER N 1 1 9 2692 1 1 1 SER O O -7.618 -5.254 -3.726 1.00 . A A . 1 SER O 1 1 9 2693 1 1 1 SER OG O -5.721 -6.177 -5.690 1.00 . A A . 1 SER OG 1 1 9 2694 1 1 2 ASP C C -7.976 -2.253 -0.660 1.00 . A A . 2 ASP C 1 1 9 2695 1 1 2 ASP CA C -8.162 -3.559 -1.498 1.00 . A A . 2 ASP CA 1 1 9 2696 1 1 2 ASP CB C -8.684 -4.776 -0.659 1.00 . A A . 2 ASP CB 1 1 9 2697 1 1 2 ASP CG C -10.149 -4.698 -0.197 1.00 . A A . 2 ASP CG 1 1 9 2698 1 1 2 ASP H H -5.998 -3.392 -1.836 1.00 . A A . 2 ASP H 1 1 9 2699 1 1 2 ASP HA H -8.862 -3.314 -2.320 1.00 . A A . 2 ASP HA 1 1 9 2700 1 1 2 ASP HB2 H -8.552 -5.737 -1.200 1.00 . A A . 2 ASP HB2 1 1 9 2701 1 1 2 ASP HB3 H -8.047 -4.898 0.238 1.00 . A A . 2 ASP HB3 1 1 9 2702 1 1 2 ASP HD2 H -9.788 -6.433 0.604 1.00 . A A . 2 ASP HD2 1 1 9 2703 1 1 2 ASP N N -6.855 -3.862 -2.123 1.00 . A A . 2 ASP N 1 1 9 2704 1 1 2 ASP O O -8.007 -2.276 0.578 1.00 . A A . 2 ASP O 1 1 9 2705 1 1 2 ASP OD1 O -10.906 -3.755 -0.434 1.00 . A A . 2 ASP OD1 1 1 9 2706 1 1 2 ASP OD2 O -10.512 -5.808 0.522 1.00 . A A . 2 ASP OD2 1 1 9 2707 1 1 3 THR C C -8.631 0.645 0.407 1.00 . A A . 3 THR C 1 1 9 2708 1 1 3 THR CA C -7.640 0.235 -0.716 1.00 . A A . 3 THR CA 1 1 9 2709 1 1 3 THR CB C -7.489 1.351 -1.792 1.00 . A A . 3 THR CB 1 1 9 2710 1 1 3 THR CG2 C -8.796 1.823 -2.432 1.00 . A A . 3 THR CG2 1 1 9 2711 1 1 3 THR H H -7.750 -1.236 -2.369 1.00 . A A . 3 THR H 1 1 9 2712 1 1 3 THR HA H -6.662 0.172 -0.223 1.00 . A A . 3 THR HA 1 1 9 2713 1 1 3 THR HB H -6.820 0.998 -2.600 1.00 . A A . 3 THR HB 1 1 9 2714 1 1 3 THR HG1 H -6.782 3.137 -1.922 1.00 . A A . 3 THR HG1 1 1 9 2715 1 1 3 THR HG21 H -9.375 0.964 -2.812 1.00 . A A . 3 THR HG21 1 1 9 2716 1 1 3 THR HG22 H -9.420 2.344 -1.682 1.00 . A A . 3 THR HG22 1 1 9 2717 1 1 3 THR HG23 H -8.598 2.528 -3.253 1.00 . A A . 3 THR HG23 1 1 9 2718 1 1 3 THR N N -7.831 -1.103 -1.355 1.00 . A A . 3 THR N 1 1 9 2719 1 1 3 THR O O -8.194 1.221 1.408 1.00 . A A . 3 THR O 1 1 9 2720 1 1 3 THR OG1 O -6.881 2.501 -1.210 1.00 . A A . 3 THR OG1 1 1 9 2721 1 1 4 ARG C C -10.858 -0.108 2.541 1.00 . A A . 4 ARG C 1 1 9 2722 1 1 4 ARG CA C -10.975 0.696 1.233 1.00 . A A . 4 ARG CA 1 1 9 2723 1 1 4 ARG CB C -12.424 0.629 0.660 1.00 . A A . 4 ARG CB 1 1 9 2724 1 1 4 ARG CD C -12.421 2.830 -0.750 1.00 . A A . 4 ARG CD 1 1 9 2725 1 1 4 ARG CG C -12.714 1.305 -0.704 1.00 . A A . 4 ARG CG 1 1 9 2726 1 1 4 ARG CZ C -12.462 4.631 -2.494 1.00 . A A . 4 ARG CZ 1 1 9 2727 1 1 4 ARG H H -10.178 -0.041 -0.677 1.00 . A A . 4 ARG H 1 1 9 2728 1 1 4 ARG HA H -10.657 1.723 1.501 1.00 . A A . 4 ARG HA 1 1 9 2729 1 1 4 ARG HB2 H -12.722 -0.435 0.561 1.00 . A A . 4 ARG HB2 1 1 9 2730 1 1 4 ARG HB3 H -13.135 1.033 1.406 1.00 . A A . 4 ARG HB3 1 1 9 2731 1 1 4 ARG HD2 H -13.011 3.384 0.010 1.00 . A A . 4 ARG HD2 1 1 9 2732 1 1 4 ARG HD3 H -11.363 3.048 -0.492 1.00 . A A . 4 ARG HD3 1 1 9 2733 1 1 4 ARG HE H -13.146 2.747 -2.769 1.00 . A A . 4 ARG HE 1 1 9 2734 1 1 4 ARG HG2 H -12.152 0.762 -1.494 1.00 . A A . 4 ARG HG2 1 1 9 2735 1 1 4 ARG HG3 H -13.773 1.095 -0.968 1.00 . A A . 4 ARG HG3 1 1 9 2736 1 1 4 ARG HH11 H -11.760 6.482 -2.132 1.00 . A A . 4 ARG HH11 1 1 9 2737 1 1 4 ARG HH12 H -11.666 5.269 -0.759 1.00 . A A . 4 ARG HH12 1 1 9 2738 1 1 4 ARG HH21 H -13.208 4.243 -4.311 1.00 . A A . 4 ARG HH21 1 1 9 2739 1 1 4 ARG HH22 H -12.575 5.938 -4.006 1.00 . A A . 4 ARG HH22 1 1 9 2740 1 1 4 ARG N N -9.939 0.352 0.235 1.00 . A A . 4 ARG N 1 1 9 2741 1 1 4 ARG NE N -12.720 3.369 -2.099 1.00 . A A . 4 ARG NE 1 1 9 2742 1 1 4 ARG NH1 N -11.906 5.557 -1.714 1.00 . A A . 4 ARG NH1 1 1 9 2743 1 1 4 ARG NH2 N -12.780 4.972 -3.729 1.00 . A A . 4 ARG NH2 1 1 9 2744 1 1 4 ARG O O -10.963 0.497 3.613 1.00 . A A . 4 ARG O 1 1 9 2745 1 1 5 TYR C C -9.107 -1.904 4.455 1.00 . A A . 5 TYR C 1 1 9 2746 1 1 5 TYR CA C -10.469 -2.278 3.701 1.00 . A A . 5 TYR CA 1 1 9 2747 1 1 5 TYR CB C -10.662 -3.793 3.435 1.00 . A A . 5 TYR CB 1 1 9 2748 1 1 5 TYR CD1 C -9.891 -5.663 4.997 1.00 . A A . 5 TYR CD1 1 1 9 2749 1 1 5 TYR CD2 C -11.976 -4.554 5.493 1.00 . A A . 5 TYR CD2 1 1 9 2750 1 1 5 TYR CE1 C -10.055 -6.475 6.116 1.00 . A A . 5 TYR CE1 1 1 9 2751 1 1 5 TYR CE2 C -12.141 -5.367 6.613 1.00 . A A . 5 TYR CE2 1 1 9 2752 1 1 5 TYR CG C -10.841 -4.686 4.681 1.00 . A A . 5 TYR CG 1 1 9 2753 1 1 5 TYR CZ C -11.180 -6.325 6.926 1.00 . A A . 5 TYR CZ 1 1 9 2754 1 1 5 TYR H H -10.544 -1.792 1.518 1.00 . A A . 5 TYR H 1 1 9 2755 1 1 5 TYR HA H -11.295 -2.021 4.356 1.00 . A A . 5 TYR HA 1 1 9 2756 1 1 5 TYR HB2 H -11.547 -3.975 2.793 1.00 . A A . 5 TYR HB2 1 1 9 2757 1 1 5 TYR HB3 H -9.803 -4.117 2.840 1.00 . A A . 5 TYR HB3 1 1 9 2758 1 1 5 TYR HD1 H -9.023 -5.806 4.373 1.00 . A A . 5 TYR HD1 1 1 9 2759 1 1 5 TYR HD2 H -12.732 -3.818 5.262 1.00 . A A . 5 TYR HD2 1 1 9 2760 1 1 5 TYR HE1 H -9.311 -7.222 6.351 1.00 . A A . 5 TYR HE1 1 1 9 2761 1 1 5 TYR HE2 H -13.017 -5.251 7.234 1.00 . A A . 5 TYR HE2 1 1 9 2762 1 1 5 TYR HH H -12.167 -6.893 8.464 1.00 . A A . 5 TYR HH 1 1 9 2763 1 1 5 TYR N N -10.675 -1.449 2.469 1.00 . A A . 5 TYR N 1 1 9 2764 1 1 5 TYR O O -8.900 -2.300 5.602 1.00 . A A . 5 TYR O 1 1 9 2765 1 1 5 TYR OH O -11.344 -7.127 8.027 1.00 . A A . 5 TYR OH 1 1 9 2766 1 1 6 ASN C C -5.654 -1.287 3.689 1.00 . A A . 6 ASN C 1 1 9 2767 1 1 6 ASN CA C -6.926 -0.543 4.192 1.00 . A A . 6 ASN CA 1 1 9 2768 1 1 6 ASN CB C -6.820 -0.076 5.681 1.00 . A A . 6 ASN CB 1 1 9 2769 1 1 6 ASN CG C -7.885 0.936 6.156 1.00 . A A . 6 ASN CG 1 1 9 2770 1 1 6 ASN H H -8.497 -1.038 2.783 1.00 . A A . 6 ASN H 1 1 9 2771 1 1 6 ASN HA H -6.911 0.385 3.567 1.00 . A A . 6 ASN HA 1 1 9 2772 1 1 6 ASN HB2 H -6.832 -0.957 6.350 1.00 . A A . 6 ASN HB2 1 1 9 2773 1 1 6 ASN HB3 H -5.824 0.376 5.859 1.00 . A A . 6 ASN HB3 1 1 9 2774 1 1 6 ASN HD21 H -8.434 2.867 6.175 1.00 . A A . 6 ASN HD21 1 1 9 2775 1 1 6 ASN HD22 H -6.873 2.447 5.308 1.00 . A A . 6 ASN HD22 1 1 9 2776 1 1 6 ASN N N -8.232 -1.116 3.775 1.00 . A A . 6 ASN N 1 1 9 2777 1 1 6 ASN ND2 N -7.712 2.214 5.849 1.00 . A A . 6 ASN ND2 1 1 9 2778 1 1 6 ASN O O -4.579 -1.161 4.286 1.00 . A A . 6 ASN O 1 1 9 2779 1 1 6 ASN OD1 O -8.868 0.576 6.803 1.00 . A A . 6 ASN OD1 1 1 9 2780 1 1 7 LYS C C -3.731 -1.709 1.127 1.00 . A A . 7 LYS C 1 1 9 2781 1 1 7 LYS CA C -4.601 -2.703 1.928 1.00 . A A . 7 LYS CA 1 1 9 2782 1 1 7 LYS CB C -5.024 -3.954 1.135 1.00 . A A . 7 LYS CB 1 1 9 2783 1 1 7 LYS CD C -6.615 -5.053 2.950 1.00 . A A . 7 LYS CD 1 1 9 2784 1 1 7 LYS CE C -6.204 -4.866 4.428 1.00 . A A . 7 LYS CE 1 1 9 2785 1 1 7 LYS CG C -5.457 -5.202 1.940 1.00 . A A . 7 LYS CG 1 1 9 2786 1 1 7 LYS H H -6.692 -2.277 2.277 1.00 . A A . 7 LYS H 1 1 9 2787 1 1 7 LYS HA H -3.931 -3.006 2.764 1.00 . A A . 7 LYS HA 1 1 9 2788 1 1 7 LYS HB2 H -5.807 -3.682 0.417 1.00 . A A . 7 LYS HB2 1 1 9 2789 1 1 7 LYS HB3 H -4.173 -4.266 0.502 1.00 . A A . 7 LYS HB3 1 1 9 2790 1 1 7 LYS HD2 H -7.257 -4.206 2.645 1.00 . A A . 7 LYS HD2 1 1 9 2791 1 1 7 LYS HD3 H -7.267 -5.937 2.865 1.00 . A A . 7 LYS HD3 1 1 9 2792 1 1 7 LYS HE2 H -5.425 -4.089 4.528 1.00 . A A . 7 LYS HE2 1 1 9 2793 1 1 7 LYS HE3 H -7.068 -4.492 5.006 1.00 . A A . 7 LYS HE3 1 1 9 2794 1 1 7 LYS HG2 H -5.754 -5.965 1.198 1.00 . A A . 7 LYS HG2 1 1 9 2795 1 1 7 LYS HG3 H -4.582 -5.634 2.453 1.00 . A A . 7 LYS HG3 1 1 9 2796 1 1 7 LYS HZ1 H -4.909 -6.457 4.571 1.00 . A A . 7 LYS HZ1 1 1 9 2797 1 1 7 LYS HZ2 H -5.509 -5.948 6.046 1.00 . A A . 7 LYS HZ2 1 1 9 2798 1 1 7 LYS HZ3 H -6.469 -6.818 5.049 1.00 . A A . 7 LYS HZ3 1 1 9 2799 1 1 7 LYS N N -5.747 -1.999 2.545 1.00 . A A . 7 LYS N 1 1 9 2800 1 1 7 LYS NZ N -5.724 -6.112 5.056 1.00 . A A . 7 LYS NZ 1 1 9 2801 1 1 7 LYS O O -2.568 -2.063 0.912 1.00 . A A . 7 LYS O 1 1 9 2802 1 1 8 ASP C C -2.156 0.904 0.983 1.00 . A A . 8 ASP C 1 1 9 2803 1 1 8 ASP CA C -3.231 0.405 -0.081 1.00 . A A . 8 ASP CA 1 1 9 2804 1 1 8 ASP CB C -3.955 1.505 -0.858 1.00 . A A . 8 ASP CB 1 1 9 2805 1 1 8 ASP CG C -3.086 2.362 -1.788 1.00 . A A . 8 ASP CG 1 1 9 2806 1 1 8 ASP H H -5.195 -0.293 0.821 1.00 . A A . 8 ASP H 1 1 9 2807 1 1 8 ASP HA H -2.626 -0.141 -0.807 1.00 . A A . 8 ASP HA 1 1 9 2808 1 1 8 ASP HB2 H -4.756 1.045 -1.468 1.00 . A A . 8 ASP HB2 1 1 9 2809 1 1 8 ASP HB3 H -4.441 2.148 -0.121 1.00 . A A . 8 ASP HB3 1 1 9 2810 1 1 8 ASP HD2 H -2.628 2.497 -3.675 1.00 . A A . 8 ASP HD2 1 1 9 2811 1 1 8 ASP N N -4.204 -0.540 0.592 1.00 . A A . 8 ASP N 1 1 9 2812 1 1 8 ASP O O -1.039 1.276 0.616 1.00 . A A . 8 ASP O 1 1 9 2813 1 1 8 ASP OD1 O -2.398 3.304 -1.396 1.00 . A A . 8 ASP OD1 1 1 9 2814 1 1 8 ASP OD2 O -3.171 1.959 -3.096 1.00 . A A . 8 ASP OD2 1 1 9 2815 1 1 9 PHE C C -0.889 -0.103 3.914 1.00 . A A . 9 PHE C 1 1 9 2816 1 1 9 PHE CA C -1.693 1.177 3.434 1.00 . A A . 9 PHE CA 1 1 9 2817 1 1 9 PHE CB C -2.551 1.886 4.521 1.00 . A A . 9 PHE CB 1 1 9 2818 1 1 9 PHE CD1 C -1.555 2.386 6.825 1.00 . A A . 9 PHE CD1 1 1 9 2819 1 1 9 PHE CD2 C -1.339 4.057 5.090 1.00 . A A . 9 PHE CD2 1 1 9 2820 1 1 9 PHE CE1 C -0.871 3.223 7.714 1.00 . A A . 9 PHE CE1 1 1 9 2821 1 1 9 PHE CE2 C -0.656 4.893 5.982 1.00 . A A . 9 PHE CE2 1 1 9 2822 1 1 9 PHE CG C -1.782 2.796 5.505 1.00 . A A . 9 PHE CG 1 1 9 2823 1 1 9 PHE CZ C -0.425 4.470 7.288 1.00 . A A . 9 PHE CZ 1 1 9 2824 1 1 9 PHE H H -3.501 0.589 2.417 1.00 . A A . 9 PHE H 1 1 9 2825 1 1 9 PHE HA H -0.982 1.927 3.107 1.00 . A A . 9 PHE HA 1 1 9 2826 1 1 9 PHE HB2 H -3.353 2.497 4.059 1.00 . A A . 9 PHE HB2 1 1 9 2827 1 1 9 PHE HB3 H -3.080 1.104 5.075 1.00 . A A . 9 PHE HB3 1 1 9 2828 1 1 9 PHE HD1 H -1.922 1.412 7.136 1.00 . A A . 9 PHE HD1 1 1 9 2829 1 1 9 PHE HD2 H -1.544 4.363 4.069 1.00 . A A . 9 PHE HD2 1 1 9 2830 1 1 9 PHE HE1 H -0.670 2.944 8.744 1.00 . A A . 9 PHE HE1 1 1 9 2831 1 1 9 PHE HE2 H -0.293 5.876 5.701 1.00 . A A . 9 PHE HE2 1 1 9 2832 1 1 9 PHE HZ H 0.101 5.117 7.975 1.00 . A A . 9 PHE HZ 1 1 9 2833 1 1 9 PHE N N -2.525 0.849 2.289 1.00 . A A . 9 PHE N 1 1 9 2834 1 1 9 PHE O O -0.581 -0.123 5.110 1.00 . A A . 9 PHE O 1 1 9 2835 1 1 10 ILE C C 1.714 -1.788 3.468 1.00 . A A . 10 ILE C 1 1 9 2836 1 1 10 ILE CA C 0.269 -2.352 3.576 1.00 . A A . 10 ILE CA 1 1 9 2837 1 1 10 ILE CB C 0.141 -3.683 2.785 1.00 . A A . 10 ILE CB 1 1 9 2838 1 1 10 ILE CD1 C -1.592 -5.046 1.519 1.00 . A A . 10 ILE CD1 1 1 9 2839 1 1 10 ILE CG1 C -1.284 -4.240 2.779 1.00 . A A . 10 ILE CG1 1 1 9 2840 1 1 10 ILE CG2 C 1.127 -4.800 3.245 1.00 . A A . 10 ILE CG2 1 1 9 2841 1 1 10 ILE H H -1.242 -1.466 2.384 1.00 . A A . 10 ILE H 1 1 9 2842 1 1 10 ILE HA H -0.027 -2.614 4.593 1.00 . A A . 10 ILE HA 1 1 9 2843 1 1 10 ILE HB H 0.373 -3.430 1.758 1.00 . A A . 10 ILE HB 1 1 9 2844 1 1 10 ILE HD11 H -1.536 -4.399 0.625 1.00 . A A . 10 ILE HD11 1 1 9 2845 1 1 10 ILE HD12 H -2.601 -5.474 1.562 1.00 . A A . 10 ILE HD12 1 1 9 2846 1 1 10 ILE HD13 H -0.881 -5.874 1.379 1.00 . A A . 10 ILE HD13 1 1 9 2847 1 1 10 ILE HG12 H -1.424 -4.833 3.680 1.00 . A A . 10 ILE HG12 1 1 9 2848 1 1 10 ILE HG13 H -2.013 -3.422 2.858 1.00 . A A . 10 ILE HG13 1 1 9 2849 1 1 10 ILE HG21 H 1.032 -5.719 2.639 1.00 . A A . 10 ILE HG21 1 1 9 2850 1 1 10 ILE HG22 H 2.184 -4.493 3.161 1.00 . A A . 10 ILE HG22 1 1 9 2851 1 1 10 ILE HG23 H 0.960 -5.085 4.301 1.00 . A A . 10 ILE HG23 1 1 9 2852 1 1 10 ILE N N -0.561 -1.189 3.101 1.00 . A A . 10 ILE N 1 1 9 2853 1 1 10 ILE O O 2.477 -2.013 2.525 1.00 . A A . 10 ILE O 1 1 9 2854 1 1 11 ASN C C 3.697 0.614 3.446 1.00 . A A . 11 ASN C 1 1 9 2855 1 1 11 ASN CA C 3.291 -0.287 4.695 1.00 . A A . 11 ASN CA 1 1 9 2856 1 1 11 ASN CB C 4.298 -1.334 5.213 1.00 . A A . 11 ASN CB 1 1 9 2857 1 1 11 ASN CG C 5.617 -0.802 5.804 1.00 . A A . 11 ASN CG 1 1 9 2858 1 1 11 ASN H H 1.144 -0.987 5.060 1.00 . A A . 11 ASN H 1 1 9 2859 1 1 11 ASN HA H 3.187 0.368 5.575 1.00 . A A . 11 ASN HA 1 1 9 2860 1 1 11 ASN HB2 H 3.778 -1.961 5.970 1.00 . A A . 11 ASN HB2 1 1 9 2861 1 1 11 ASN HB3 H 4.507 -2.008 4.382 1.00 . A A . 11 ASN HB3 1 1 9 2862 1 1 11 ASN HD21 H 6.535 -0.160 7.469 1.00 . A A . 11 ASN HD21 1 1 9 2863 1 1 11 ASN HD22 H 4.775 -0.665 7.614 1.00 . A A . 11 ASN HD22 1 1 9 2864 1 1 11 ASN N N 2.006 -1.003 4.497 1.00 . A A . 11 ASN N 1 1 9 2865 1 1 11 ASN ND2 N 5.646 -0.509 7.093 1.00 . A A . 11 ASN ND2 1 1 9 2866 1 1 11 ASN O O 4.894 0.742 3.176 1.00 . A A . 11 ASN O 1 1 9 2867 1 1 11 ASN OD1 O 6.620 -0.657 5.108 1.00 . A A . 11 ASN OD1 1 1 9 2868 1 1 12 ASN C C 3.337 1.250 0.251 1.00 . A A . 12 ASN C 1 1 9 2869 1 1 12 ASN CA C 2.983 2.102 1.507 1.00 . A A . 12 ASN CA 1 1 9 2870 1 1 12 ASN CB C 3.857 3.322 1.843 1.00 . A A . 12 ASN CB 1 1 9 2871 1 1 12 ASN CG C 4.113 4.331 0.717 1.00 . A A . 12 ASN CG 1 1 9 2872 1 1 12 ASN H H 1.785 0.839 2.642 1.00 . A A . 12 ASN H 1 1 9 2873 1 1 12 ASN HA H 2.025 2.588 1.290 1.00 . A A . 12 ASN HA 1 1 9 2874 1 1 12 ASN HB2 H 3.441 3.826 2.741 1.00 . A A . 12 ASN HB2 1 1 9 2875 1 1 12 ASN HB3 H 4.794 2.962 2.196 1.00 . A A . 12 ASN HB3 1 1 9 2876 1 1 12 ASN HD21 H 3.560 6.212 0.247 1.00 . A A . 12 ASN HD21 1 1 9 2877 1 1 12 ASN HD22 H 2.872 5.294 1.714 1.00 . A A . 12 ASN HD22 1 1 9 2878 1 1 12 ASN N N 2.729 1.241 2.688 1.00 . A A . 12 ASN N 1 1 9 2879 1 1 12 ASN ND2 N 3.345 5.382 0.810 1.00 . A A . 12 ASN ND2 1 1 9 2880 1 1 12 ASN O O 4.466 1.269 -0.240 1.00 . A A . 12 ASN O 1 1 9 2881 1 1 12 ASN OD1 O 4.967 4.191 -0.159 1.00 . A A . 12 ASN OD1 1 1 9 2882 1 1 13 LYS C C 3.297 -1.567 -1.322 1.00 . A A . 13 LYS C 1 1 9 2883 1 1 13 LYS CA C 2.380 -0.326 -1.473 1.00 . A A . 13 LYS CA 1 1 9 2884 1 1 13 LYS CB C 2.610 0.495 -2.774 1.00 . A A . 13 LYS CB 1 1 9 2885 1 1 13 LYS CD C 0.118 1.233 -3.261 1.00 . A A . 13 LYS CD 1 1 9 2886 1 1 13 LYS CE C -0.218 0.262 -4.415 1.00 . A A . 13 LYS CE 1 1 9 2887 1 1 13 LYS CG C 1.601 1.632 -3.076 1.00 . A A . 13 LYS CG 1 1 9 2888 1 1 13 LYS H H 1.464 0.551 0.306 1.00 . A A . 13 LYS H 1 1 9 2889 1 1 13 LYS HA H 1.377 -0.751 -1.564 1.00 . A A . 13 LYS HA 1 1 9 2890 1 1 13 LYS HB2 H 3.623 0.935 -2.744 1.00 . A A . 13 LYS HB2 1 1 9 2891 1 1 13 LYS HB3 H 2.622 -0.198 -3.634 1.00 . A A . 13 LYS HB3 1 1 9 2892 1 1 13 LYS HD2 H -0.254 0.796 -2.316 1.00 . A A . 13 LYS HD2 1 1 9 2893 1 1 13 LYS HD3 H -0.476 2.159 -3.385 1.00 . A A . 13 LYS HD3 1 1 9 2894 1 1 13 LYS HE2 H 0.361 -0.674 -4.318 1.00 . A A . 13 LYS HE2 1 1 9 2895 1 1 13 LYS HE3 H -1.280 -0.037 -4.337 1.00 . A A . 13 LYS HE3 1 1 9 2896 1 1 13 LYS HG2 H 1.657 2.378 -2.261 1.00 . A A . 13 LYS HG2 1 1 9 2897 1 1 13 LYS HG3 H 1.944 2.175 -3.974 1.00 . A A . 13 LYS HG3 1 1 9 2898 1 1 13 LYS HZ1 H -0.241 0.181 -6.470 1.00 . A A . 13 LYS HZ1 1 1 9 2899 1 1 13 LYS HZ2 H 0.986 1.130 -5.850 1.00 . A A . 13 LYS HZ2 1 1 9 2900 1 1 13 LYS HZ3 H -0.543 1.705 -5.856 1.00 . A A . 13 LYS HZ3 1 1 9 2901 1 1 13 LYS N N 2.316 0.530 -0.257 1.00 . A A . 13 LYS N 1 1 9 2902 1 1 13 LYS NZ N 0.006 0.846 -5.751 1.00 . A A . 13 LYS NZ 1 1 9 2903 1 1 13 LYS O O 4.325 -1.689 -1.996 1.00 . A A . 13 LYS O 1 1 9 2904 1 1 14 HIS C C 5.076 -3.488 0.278 1.00 . A A . 14 HIS C 1 1 9 2905 1 1 14 HIS CA C 3.596 -3.777 -0.123 1.00 . A A . 14 HIS CA 1 1 9 2906 1 1 14 HIS CB C 3.428 -4.850 -1.240 1.00 . A A . 14 HIS CB 1 1 9 2907 1 1 14 HIS CD2 C 1.214 -4.849 -2.620 1.00 . A A . 14 HIS CD2 1 1 9 2908 1 1 14 HIS CE1 C 0.104 -6.221 -1.479 1.00 . A A . 14 HIS CE1 1 1 9 2909 1 1 14 HIS CG C 1.986 -5.286 -1.527 1.00 . A A . 14 HIS CG 1 1 9 2910 1 1 14 HIS H H 2.026 -2.221 0.073 1.00 . A A . 14 HIS H 1 1 9 2911 1 1 14 HIS HA H 3.117 -4.191 0.777 1.00 . A A . 14 HIS HA 1 1 9 2912 1 1 14 HIS HB2 H 3.903 -4.494 -2.175 1.00 . A A . 14 HIS HB2 1 1 9 2913 1 1 14 HIS HB3 H 4.010 -5.750 -0.965 1.00 . A A . 14 HIS HB3 1 1 9 2914 1 1 14 HIS HD2 H 1.540 -4.146 -3.373 1.00 . A A . 14 HIS HD2 1 1 9 2915 1 1 14 HIS HE1 H -0.718 -6.846 -1.156 1.00 . A A . 14 HIS HE1 1 1 9 2916 1 1 14 HIS HE2 H -0.817 -5.356 -3.250 1.00 . A A . 14 HIS HE2 1 1 9 2917 1 1 14 HIS N N 2.871 -2.502 -0.440 1.00 . A A . 14 HIS N 1 1 9 2918 1 1 14 HIS ND1 N 1.273 -6.200 -0.756 1.00 . A A . 14 HIS ND1 1 1 9 2919 1 1 14 HIS NE2 N -0.026 -5.455 -2.604 1.00 . A A . 14 HIS NE2 1 1 9 2920 1 1 14 HIS O O 6.013 -3.977 -0.363 1.00 . A A . 14 HIS O 1 1 9 2921 1 1 15 LEU C C 7.431 -1.506 0.744 1.00 . A A . 15 LEU C 1 1 9 2922 1 1 15 LEU CA C 6.611 -2.262 1.856 1.00 . A A . 15 LEU CA 1 1 9 2923 1 1 15 LEU CB C 7.395 -3.439 2.528 1.00 . A A . 15 LEU CB 1 1 9 2924 1 1 15 LEU CD1 C 5.648 -5.133 3.465 1.00 . A A . 15 LEU CD1 1 1 9 2925 1 1 15 LEU CD2 C 7.957 -5.012 4.426 1.00 . A A . 15 LEU CD2 1 1 9 2926 1 1 15 LEU CG C 6.819 -4.157 3.795 1.00 . A A . 15 LEU CG 1 1 9 2927 1 1 15 LEU H H 4.421 -2.383 1.845 1.00 . A A . 15 LEU H 1 1 9 2928 1 1 15 LEU HA H 6.430 -1.485 2.616 1.00 . A A . 15 LEU HA 1 1 9 2929 1 1 15 LEU HB2 H 7.636 -4.195 1.754 1.00 . A A . 15 LEU HB2 1 1 9 2930 1 1 15 LEU HB3 H 8.388 -3.030 2.799 1.00 . A A . 15 LEU HB3 1 1 9 2931 1 1 15 LEU HD11 H 5.332 -5.743 4.333 1.00 . A A . 15 LEU HD11 1 1 9 2932 1 1 15 LEU HD12 H 5.909 -5.859 2.667 1.00 . A A . 15 LEU HD12 1 1 9 2933 1 1 15 LEU HD13 H 4.732 -4.620 3.118 1.00 . A A . 15 LEU HD13 1 1 9 2934 1 1 15 LEU HD21 H 8.839 -4.412 4.716 1.00 . A A . 15 LEU HD21 1 1 9 2935 1 1 15 LEU HD22 H 7.638 -5.555 5.337 1.00 . A A . 15 LEU HD22 1 1 9 2936 1 1 15 LEU HD23 H 8.339 -5.791 3.731 1.00 . A A . 15 LEU HD23 1 1 9 2937 1 1 15 LEU HG H 6.474 -3.378 4.539 1.00 . A A . 15 LEU HG 1 1 9 2938 1 1 15 LEU N N 5.270 -2.669 1.346 1.00 . A A . 15 LEU N 1 1 9 2939 1 1 15 LEU O O 8.654 -1.659 0.663 1.00 . A A . 15 LEU O 1 1 9 2940 1 1 16 ASN C C 8.143 -0.847 -2.191 1.00 . A A . 16 ASN C 1 1 9 2941 1 1 16 ASN CA C 7.391 0.110 -1.208 1.00 . A A . 16 ASN CA 1 1 9 2942 1 1 16 ASN CB C 8.119 1.335 -0.637 1.00 . A A . 16 ASN CB 1 1 9 2943 1 1 16 ASN CG C 8.636 2.350 -1.663 1.00 . A A . 16 ASN CG 1 1 9 2944 1 1 16 ASN H H 5.755 -0.532 0.076 1.00 . A A . 16 ASN H 1 1 9 2945 1 1 16 ASN HA H 6.579 0.583 -1.771 1.00 . A A . 16 ASN HA 1 1 9 2946 1 1 16 ASN HB2 H 7.436 1.814 0.098 1.00 . A A . 16 ASN HB2 1 1 9 2947 1 1 16 ASN HB3 H 8.948 1.026 -0.031 1.00 . A A . 16 ASN HB3 1 1 9 2948 1 1 16 ASN HD21 H 8.191 4.224 -2.269 1.00 . A A . 16 ASN HD21 1 1 9 2949 1 1 16 ASN HD22 H 7.162 3.296 -1.023 1.00 . A A . 16 ASN HD22 1 1 9 2950 1 1 16 ASN N N 6.762 -0.660 -0.099 1.00 . A A . 16 ASN N 1 1 9 2951 1 1 16 ASN ND2 N 7.858 3.393 -1.767 1.00 . A A . 16 ASN ND2 1 1 9 2952 1 1 16 ASN O O 9.366 -0.779 -2.341 1.00 . A A . 16 ASN O 1 1 9 2953 1 1 16 ASN OD1 O 9.680 2.217 -2.300 1.00 . A A . 16 ASN OD1 1 1 9 2954 1 1 17 GLU C C 9.004 -3.688 -3.219 1.00 . A A . 17 GLU C 1 1 9 2955 1 1 17 GLU CA C 7.845 -2.795 -3.761 1.00 . A A . 17 GLU CA 1 1 9 2956 1 1 17 GLU CB C 8.010 -2.194 -5.159 1.00 . A A . 17 GLU CB 1 1 9 2957 1 1 17 GLU CD C 6.877 -1.020 -7.148 1.00 . A A . 17 GLU CD 1 1 9 2958 1 1 17 GLU CG C 6.718 -1.575 -5.733 1.00 . A A . 17 GLU CG 1 1 9 2959 1 1 17 GLU H H 6.378 -1.575 -2.921 1.00 . A A . 17 GLU H 1 1 9 2960 1 1 17 GLU HA H 6.982 -3.445 -3.919 1.00 . A A . 17 GLU HA 1 1 9 2961 1 1 17 GLU HB2 H 8.837 -1.478 -5.148 1.00 . A A . 17 GLU HB2 1 1 9 2962 1 1 17 GLU HB3 H 8.298 -3.018 -5.808 1.00 . A A . 17 GLU HB3 1 1 9 2963 1 1 17 GLU HE2 H 6.745 -1.621 -8.995 1.00 . A A . 17 GLU HE2 1 1 9 2964 1 1 17 GLU HG2 H 5.900 -2.316 -5.686 1.00 . A A . 17 GLU HG2 1 1 9 2965 1 1 17 GLU HG3 H 6.379 -0.783 -5.050 1.00 . A A . 17 GLU HG3 1 1 9 2966 1 1 17 GLU N N 7.373 -1.780 -2.805 1.00 . A A . 17 GLU N 1 1 9 2967 1 1 17 GLU O O 10.122 -3.670 -3.744 1.00 . A A . 17 GLU O 1 1 9 2968 1 1 17 GLU OE1 O 7.179 0.149 -7.387 1.00 . A A . 17 GLU OE1 1 1 9 2969 1 1 17 GLU OE2 O 6.645 -1.972 -8.107 1.00 . A A . 17 GLU OE2 1 1 9 2970 1 1 18 HIS C C 10.974 -4.695 -0.992 1.00 . A A . 18 HIS C 1 1 9 2971 1 1 18 HIS CA C 9.642 -5.376 -1.444 1.00 . A A . 18 HIS CA 1 1 9 2972 1 1 18 HIS CB C 9.773 -6.670 -2.283 1.00 . A A . 18 HIS CB 1 1 9 2973 1 1 18 HIS CD2 C 10.599 -9.094 -2.187 1.00 . A A . 18 HIS CD2 1 1 9 2974 1 1 18 HIS CE1 C 11.107 -9.239 -0.152 1.00 . A A . 18 HIS CE1 1 1 9 2975 1 1 18 HIS CG C 10.371 -7.866 -1.556 1.00 . A A . 18 HIS CG 1 1 9 2976 1 1 18 HIS H H 7.711 -4.456 -1.884 1.00 . A A . 18 HIS H 1 1 9 2977 1 1 18 HIS HA H 9.123 -5.689 -0.517 1.00 . A A . 18 HIS HA 1 1 9 2978 1 1 18 HIS HB2 H 8.775 -6.988 -2.644 1.00 . A A . 18 HIS HB2 1 1 9 2979 1 1 18 HIS HB3 H 10.343 -6.460 -3.205 1.00 . A A . 18 HIS HB3 1 1 9 2980 1 1 18 HIS HD2 H 10.374 -9.284 -3.224 1.00 . A A . 18 HIS HD2 1 1 9 2981 1 1 18 HIS HE1 H 11.439 -9.660 0.785 1.00 . A A . 18 HIS HE1 1 1 9 2982 1 1 18 HIS HE2 H 11.341 -11.001 -1.412 1.00 . A A . 18 HIS HE2 1 1 9 2983 1 1 18 HIS N N 8.702 -4.450 -2.139 1.00 . A A . 18 HIS N 1 1 9 2984 1 1 18 HIS ND1 N 10.686 -7.930 -0.204 1.00 . A A . 18 HIS ND1 1 1 9 2985 1 1 18 HIS NE2 N 11.092 -10.013 -1.283 1.00 . A A . 18 HIS NE2 1 1 9 2986 1 1 18 HIS O O 12.047 -4.971 -1.539 1.00 . A A . 18 HIS O 1 1 9 2987 1 1 19 ALA C C 11.698 -2.803 2.064 1.00 . A A . 19 ALA C 1 1 9 2988 1 1 19 ALA CA C 12.011 -3.044 0.559 1.00 . A A . 19 ALA CA 1 1 9 2989 1 1 19 ALA CB C 12.328 -1.840 -0.377 1.00 . A A . 19 ALA CB 1 1 9 2990 1 1 19 ALA H H 9.964 -3.616 0.417 1.00 . A A . 19 ALA H 1 1 9 2991 1 1 19 ALA HA H 12.899 -3.668 0.580 1.00 . A A . 19 ALA HA 1 1 9 2992 1 1 19 ALA HB1 H 12.573 -2.165 -1.405 1.00 . A A . 19 ALA HB1 1 1 9 2993 1 1 19 ALA HB2 H 13.199 -1.267 -0.012 1.00 . A A . 19 ALA HB2 1 1 9 2994 1 1 19 ALA HB3 H 11.479 -1.132 -0.448 1.00 . A A . 19 ALA HB3 1 1 9 2995 1 1 19 ALA N N 10.876 -3.788 0.002 1.00 . A A . 19 ALA N 1 1 9 2996 1 1 19 ALA O O 11.438 -3.736 2.834 1.00 . A A . 19 ALA O 1 1 9 2997 1 1 20 HIS C C 9.968 -0.898 4.121 1.00 . A A . 20 HIS C 1 1 9 2998 1 1 20 HIS CA C 11.491 -1.049 3.831 1.00 . A A . 20 HIS CA 1 1 9 2999 1 1 20 HIS CB C 12.342 0.223 4.087 1.00 . A A . 20 HIS CB 1 1 9 3000 1 1 20 HIS CD2 C 13.190 1.739 5.977 1.00 . A A . 20 HIS CD2 1 1 9 3001 1 1 20 HIS CE1 C 12.513 0.666 7.652 1.00 . A A . 20 HIS CE1 1 1 9 3002 1 1 20 HIS CG C 12.495 0.598 5.555 1.00 . A A . 20 HIS CG 1 1 9 3003 1 1 20 HIS H H 12.122 -0.990 1.687 1.00 . A A . 20 HIS H 1 1 9 3004 1 1 20 HIS HXT H 8.312 0.069 3.763 1.00 . A A . 20 HIS HXT 1 1 9 3005 1 1 20 HIS HA H 11.899 -1.814 4.506 1.00 . A A . 20 HIS HA 1 1 9 3006 1 1 20 HIS HB2 H 13.369 0.097 3.693 1.00 . A A . 20 HIS HB2 1 1 9 3007 1 1 20 HIS HB3 H 11.934 1.087 3.529 1.00 . A A . 20 HIS HB3 1 1 9 3008 1 1 20 HIS HD2 H 13.666 2.434 5.301 1.00 . A A . 20 HIS HD2 1 1 9 3009 1 1 20 HIS HE1 H 12.343 0.392 8.682 1.00 . A A . 20 HIS HE1 1 1 9 3010 1 1 20 HIS HE2 H 13.645 2.498 7.977 1.00 . A A . 20 HIS HE2 1 1 9 3011 1 1 20 HIS N N 11.745 -1.533 2.456 1.00 . A A . 20 HIS N 1 1 9 3012 1 1 20 HIS ND1 N 12.043 -0.141 6.641 1.00 . A A . 20 HIS ND1 1 1 9 3013 1 1 20 HIS NE2 N 13.209 1.808 7.354 1.00 . A A . 20 HIS NE2 1 1 9 3014 1 1 20 HIS O O 9.410 -1.657 4.913 1.00 . A A . 20 HIS O 1 1 9 3015 1 1 20 HIS OXT O 9.227 0.110 3.476 1.00 . A A . 20 HIS OXT 1 1 10 3016 1 1 1 SER C C -4.622 5.018 2.610 1.00 . A A . 1 SER C 1 1 10 3017 1 1 1 SER CA C -4.016 6.317 1.981 1.00 . A A . 1 SER CA 1 1 10 3018 1 1 1 SER CB C -2.728 6.076 1.176 1.00 . A A . 1 SER CB 1 1 10 3019 1 1 1 SER H1 H -4.353 7.007 3.606 1.00 . A A . 1 SER H1 1 1 10 3020 1 1 1 SER H2 H -4.266 8.267 2.938 1.00 . A A . 1 SER H2 1 1 10 3021 1 1 1 SER H3 H -2.952 7.290 3.582 1.00 . A A . 1 SER H3 1 1 10 3022 1 1 1 SER HA H -4.726 6.682 1.261 1.00 . A A . 1 SER HA 1 1 10 3023 1 1 1 SER HB2 H -2.264 7.028 0.847 1.00 . A A . 1 SER HB2 1 1 10 3024 1 1 1 SER HB3 H -2.007 5.574 1.827 1.00 . A A . 1 SER HB3 1 1 10 3025 1 1 1 SER HG H -2.119 5.156 -0.397 1.00 . A A . 1 SER HG 1 1 10 3026 1 1 1 SER N N -3.719 7.418 2.935 1.00 . A A . 1 SER N 1 1 10 3027 1 1 1 SER O O -4.445 3.912 2.096 1.00 . A A . 1 SER O 1 1 10 3028 1 1 1 SER OG O -2.971 5.272 0.031 1.00 . A A . 1 SER OG 1 1 10 3029 1 1 2 ASP C C -7.538 3.824 4.002 1.00 . A A . 2 ASP C 1 1 10 3030 1 1 2 ASP CA C -6.070 4.108 4.460 1.00 . A A . 2 ASP CA 1 1 10 3031 1 1 2 ASP CB C -5.965 4.583 5.966 1.00 . A A . 2 ASP CB 1 1 10 3032 1 1 2 ASP CG C -6.705 5.885 6.360 1.00 . A A . 2 ASP CG 1 1 10 3033 1 1 2 ASP H H -5.570 6.135 3.949 1.00 . A A . 2 ASP H 1 1 10 3034 1 1 2 ASP HA H -5.507 3.182 4.228 1.00 . A A . 2 ASP HA 1 1 10 3035 1 1 2 ASP HB2 H -6.383 3.815 6.637 1.00 . A A . 2 ASP HB2 1 1 10 3036 1 1 2 ASP HB3 H -4.910 4.697 6.307 1.00 . A A . 2 ASP HB3 1 1 10 3037 1 1 2 ASP HD2 H -6.364 7.798 6.499 1.00 . A A . 2 ASP HD2 1 1 10 3038 1 1 2 ASP N N -5.393 5.177 3.696 1.00 . A A . 2 ASP N 1 1 10 3039 1 1 2 ASP O O -8.439 3.593 4.816 1.00 . A A . 2 ASP O 1 1 10 3040 1 1 2 ASP OD1 O -7.879 5.915 6.724 1.00 . A A . 2 ASP OD1 1 1 10 3041 1 1 2 ASP OD2 O -5.900 6.993 6.254 1.00 . A A . 2 ASP OD2 1 1 10 3042 1 1 3 THR C C -9.821 2.228 2.393 1.00 . A A . 3 THR C 1 1 10 3043 1 1 3 THR CA C -9.037 3.514 2.010 1.00 . A A . 3 THR CA 1 1 10 3044 1 1 3 THR CB C -8.916 3.819 0.484 1.00 . A A . 3 THR CB 1 1 10 3045 1 1 3 THR CG2 C -7.843 3.023 -0.276 1.00 . A A . 3 THR CG2 1 1 10 3046 1 1 3 THR H H -6.927 4.181 2.186 1.00 . A A . 3 THR H 1 1 10 3047 1 1 3 THR HA H -9.668 4.299 2.402 1.00 . A A . 3 THR HA 1 1 10 3048 1 1 3 THR HB H -8.654 4.889 0.374 1.00 . A A . 3 THR HB 1 1 10 3049 1 1 3 THR HG1 H -10.039 3.899 -1.077 1.00 . A A . 3 THR HG1 1 1 10 3050 1 1 3 THR HG21 H -7.836 3.275 -1.350 1.00 . A A . 3 THR HG21 1 1 10 3051 1 1 3 THR HG22 H -7.979 1.934 -0.179 1.00 . A A . 3 THR HG22 1 1 10 3052 1 1 3 THR HG23 H -6.841 3.258 0.123 1.00 . A A . 3 THR HG23 1 1 10 3053 1 1 3 THR N N -7.728 3.761 2.674 1.00 . A A . 3 THR N 1 1 10 3054 1 1 3 THR O O -10.904 2.346 2.976 1.00 . A A . 3 THR O 1 1 10 3055 1 1 3 THR OG1 O -10.172 3.638 -0.163 1.00 . A A . 3 THR OG1 1 1 10 3056 1 1 4 ARG C C -9.428 -0.774 3.834 1.00 . A A . 4 ARG C 1 1 10 3057 1 1 4 ARG CA C -9.924 -0.254 2.443 1.00 . A A . 4 ARG CA 1 1 10 3058 1 1 4 ARG CB C -9.695 -1.257 1.275 1.00 . A A . 4 ARG CB 1 1 10 3059 1 1 4 ARG CD C -10.017 0.019 -1.021 1.00 . A A . 4 ARG CD 1 1 10 3060 1 1 4 ARG CG C -10.543 -1.034 0.003 1.00 . A A . 4 ARG CG 1 1 10 3061 1 1 4 ARG CZ C -10.471 -0.744 -3.374 1.00 . A A . 4 ARG CZ 1 1 10 3062 1 1 4 ARG H H -8.427 1.044 1.591 1.00 . A A . 4 ARG H 1 1 10 3063 1 1 4 ARG HA H -10.997 -0.074 2.502 1.00 . A A . 4 ARG HA 1 1 10 3064 1 1 4 ARG HB2 H -8.631 -1.317 0.988 1.00 . A A . 4 ARG HB2 1 1 10 3065 1 1 4 ARG HB3 H -9.924 -2.277 1.637 1.00 . A A . 4 ARG HB3 1 1 10 3066 1 1 4 ARG HD2 H -10.091 1.043 -0.610 1.00 . A A . 4 ARG HD2 1 1 10 3067 1 1 4 ARG HD3 H -8.928 -0.093 -1.219 1.00 . A A . 4 ARG HD3 1 1 10 3068 1 1 4 ARG HE H -11.613 0.571 -2.344 1.00 . A A . 4 ARG HE 1 1 10 3069 1 1 4 ARG HG2 H -10.612 -2.023 -0.486 1.00 . A A . 4 ARG HG2 1 1 10 3070 1 1 4 ARG HG3 H -11.580 -0.801 0.314 1.00 . A A . 4 ARG HG3 1 1 10 3071 1 1 4 ARG HH11 H -12.061 -0.025 -4.356 1.00 . A A . 4 ARG HH11 1 1 10 3072 1 1 4 ARG HH12 H -10.996 -1.226 -5.245 1.00 . A A . 4 ARG HH12 1 1 10 3073 1 1 4 ARG HH21 H -9.285 -2.064 -4.325 1.00 . A A . 4 ARG HH21 1 1 10 3074 1 1 4 ARG HH22 H -8.822 -1.610 -2.608 1.00 . A A . 4 ARG HH22 1 1 10 3075 1 1 4 ARG N N -9.296 1.034 2.089 1.00 . A A . 4 ARG N 1 1 10 3076 1 1 4 ARG NE N -10.788 -0.008 -2.289 1.00 . A A . 4 ARG NE 1 1 10 3077 1 1 4 ARG NH1 N -11.256 -0.656 -4.433 1.00 . A A . 4 ARG NH1 1 1 10 3078 1 1 4 ARG NH2 N -9.417 -1.557 -3.443 1.00 . A A . 4 ARG NH2 1 1 10 3079 1 1 4 ARG O O -9.092 -1.952 3.985 1.00 . A A . 4 ARG O 1 1 10 3080 1 1 5 TYR C C -7.448 -0.319 6.244 1.00 . A A . 5 TYR C 1 1 10 3081 1 1 5 TYR CA C -9.003 -0.110 6.255 1.00 . A A . 5 TYR CA 1 1 10 3082 1 1 5 TYR CB C -9.885 -1.173 6.948 1.00 . A A . 5 TYR CB 1 1 10 3083 1 1 5 TYR CD1 C -8.967 -2.688 8.786 1.00 . A A . 5 TYR CD1 1 1 10 3084 1 1 5 TYR CD2 C -9.924 -0.565 9.424 1.00 . A A . 5 TYR CD2 1 1 10 3085 1 1 5 TYR CE1 C -8.695 -2.966 10.122 1.00 . A A . 5 TYR CE1 1 1 10 3086 1 1 5 TYR CE2 C -9.653 -0.846 10.761 1.00 . A A . 5 TYR CE2 1 1 10 3087 1 1 5 TYR CG C -9.579 -1.482 8.425 1.00 . A A . 5 TYR CG 1 1 10 3088 1 1 5 TYR CZ C -9.038 -2.047 11.111 1.00 . A A . 5 TYR CZ 1 1 10 3089 1 1 5 TYR H H -9.408 1.065 4.440 1.00 . A A . 5 TYR H 1 1 10 3090 1 1 5 TYR HA H -9.252 0.787 6.839 1.00 . A A . 5 TYR HA 1 1 10 3091 1 1 5 TYR HB2 H -10.950 -0.881 6.868 1.00 . A A . 5 TYR HB2 1 1 10 3092 1 1 5 TYR HB3 H -9.807 -2.061 6.322 1.00 . A A . 5 TYR HB3 1 1 10 3093 1 1 5 TYR HD1 H -8.692 -3.412 8.031 1.00 . A A . 5 TYR HD1 1 1 10 3094 1 1 5 TYR HD2 H -10.403 0.371 9.169 1.00 . A A . 5 TYR HD2 1 1 10 3095 1 1 5 TYR HE1 H -8.219 -3.899 10.390 1.00 . A A . 5 TYR HE1 1 1 10 3096 1 1 5 TYR HE2 H -9.921 -0.131 11.525 1.00 . A A . 5 TYR HE2 1 1 10 3097 1 1 5 TYR HH H -9.071 -1.588 12.968 1.00 . A A . 5 TYR HH 1 1 10 3098 1 1 5 TYR N N -9.436 0.129 4.846 1.00 . A A . 5 TYR N 1 1 10 3099 1 1 5 TYR O O -6.967 -1.409 6.568 1.00 . A A . 5 TYR O 1 1 10 3100 1 1 5 TYR OH O -8.772 -2.323 12.428 1.00 . A A . 5 TYR OH 1 1 10 3101 1 1 6 ASN C C -4.659 -0.341 4.694 1.00 . A A . 6 ASN C 1 1 10 3102 1 1 6 ASN CA C -5.172 0.674 5.775 1.00 . A A . 6 ASN CA 1 1 10 3103 1 1 6 ASN CB C -4.456 0.524 7.154 1.00 . A A . 6 ASN CB 1 1 10 3104 1 1 6 ASN CG C -4.697 1.657 8.169 1.00 . A A . 6 ASN CG 1 1 10 3105 1 1 6 ASN H H -7.138 1.525 5.416 1.00 . A A . 6 ASN H 1 1 10 3106 1 1 6 ASN HA H -4.862 1.660 5.388 1.00 . A A . 6 ASN HA 1 1 10 3107 1 1 6 ASN HB2 H -4.733 -0.438 7.619 1.00 . A A . 6 ASN HB2 1 1 10 3108 1 1 6 ASN HB3 H -3.363 0.433 6.985 1.00 . A A . 6 ASN HB3 1 1 10 3109 1 1 6 ASN HD21 H -4.052 3.446 8.815 1.00 . A A . 6 ASN HD21 1 1 10 3110 1 1 6 ASN HD22 H -3.170 2.692 7.393 1.00 . A A . 6 ASN HD22 1 1 10 3111 1 1 6 ASN N N -6.666 0.726 5.856 1.00 . A A . 6 ASN N 1 1 10 3112 1 1 6 ASN ND2 N -3.871 2.695 8.141 1.00 . A A . 6 ASN ND2 1 1 10 3113 1 1 6 ASN O O -3.602 -0.956 4.873 1.00 . A A . 6 ASN O 1 1 10 3114 1 1 6 ASN OD1 O -5.617 1.606 8.982 1.00 . A A . 6 ASN OD1 1 1 10 3115 1 1 7 LYS C C -4.161 -0.614 1.407 1.00 . A A . 7 LYS C 1 1 10 3116 1 1 7 LYS CA C -4.987 -1.384 2.454 1.00 . A A . 7 LYS CA 1 1 10 3117 1 1 7 LYS CB C -6.336 -2.089 2.275 1.00 . A A . 7 LYS CB 1 1 10 3118 1 1 7 LYS CD C -6.351 -2.401 -0.202 1.00 . A A . 7 LYS CD 1 1 10 3119 1 1 7 LYS CE C -5.256 -2.973 -1.110 1.00 . A A . 7 LYS CE 1 1 10 3120 1 1 7 LYS CG C -6.400 -3.095 1.162 1.00 . A A . 7 LYS CG 1 1 10 3121 1 1 7 LYS H H -6.354 -0.240 3.418 1.00 . A A . 7 LYS H 1 1 10 3122 1 1 7 LYS HA H -4.287 -2.137 2.797 1.00 . A A . 7 LYS HA 1 1 10 3123 1 1 7 LYS HB2 H -6.565 -2.647 3.209 1.00 . A A . 7 LYS HB2 1 1 10 3124 1 1 7 LYS HB3 H -7.153 -1.362 2.142 1.00 . A A . 7 LYS HB3 1 1 10 3125 1 1 7 LYS HD2 H -7.362 -2.457 -0.612 1.00 . A A . 7 LYS HD2 1 1 10 3126 1 1 7 LYS HD3 H -6.186 -1.313 -0.059 1.00 . A A . 7 LYS HD3 1 1 10 3127 1 1 7 LYS HE2 H -4.269 -2.750 -0.664 1.00 . A A . 7 LYS HE2 1 1 10 3128 1 1 7 LYS HE3 H -5.328 -4.075 -1.145 1.00 . A A . 7 LYS HE3 1 1 10 3129 1 1 7 LYS HG2 H -5.587 -3.816 1.329 1.00 . A A . 7 LYS HG2 1 1 10 3130 1 1 7 LYS HG3 H -7.356 -3.630 1.286 1.00 . A A . 7 LYS HG3 1 1 10 3131 1 1 7 LYS HZ1 H -6.211 -2.631 -2.896 1.00 . A A . 7 LYS HZ1 1 1 10 3132 1 1 7 LYS HZ2 H -4.552 -2.777 -3.039 1.00 . A A . 7 LYS HZ2 1 1 10 3133 1 1 7 LYS HZ3 H -5.183 -1.394 -2.436 1.00 . A A . 7 LYS HZ3 1 1 10 3134 1 1 7 LYS N N -5.354 -0.473 3.533 1.00 . A A . 7 LYS N 1 1 10 3135 1 1 7 LYS NZ N -5.323 -2.411 -2.469 1.00 . A A . 7 LYS NZ 1 1 10 3136 1 1 7 LYS O O -3.117 -1.151 1.027 1.00 . A A . 7 LYS O 1 1 10 3137 1 1 8 ASP C C -2.332 1.863 0.671 1.00 . A A . 8 ASP C 1 1 10 3138 1 1 8 ASP CA C -3.614 1.283 -0.086 1.00 . A A . 8 ASP CA 1 1 10 3139 1 1 8 ASP CB C -4.377 2.253 -0.998 1.00 . A A . 8 ASP CB 1 1 10 3140 1 1 8 ASP CG C -3.631 2.771 -2.239 1.00 . A A . 8 ASP CG 1 1 10 3141 1 1 8 ASP H H -5.553 0.787 1.027 1.00 . A A . 8 ASP H 1 1 10 3142 1 1 8 ASP HA H -3.104 0.557 -0.728 1.00 . A A . 8 ASP HA 1 1 10 3143 1 1 8 ASP HB2 H -5.315 1.785 -1.360 1.00 . A A . 8 ASP HB2 1 1 10 3144 1 1 8 ASP HB3 H -4.665 3.089 -0.358 1.00 . A A . 8 ASP HB3 1 1 10 3145 1 1 8 ASP HD2 H -4.592 4.430 -1.906 1.00 . A A . 8 ASP HD2 1 1 10 3146 1 1 8 ASP N N -4.560 0.560 0.856 1.00 . A A . 8 ASP N 1 1 10 3147 1 1 8 ASP O O -1.444 2.472 0.070 1.00 . A A . 8 ASP O 1 1 10 3148 1 1 8 ASP OD1 O -2.846 2.092 -2.900 1.00 . A A . 8 ASP OD1 1 1 10 3149 1 1 8 ASP OD2 O -3.959 4.069 -2.531 1.00 . A A . 8 ASP OD2 1 1 10 3150 1 1 9 PHE C C -0.746 0.498 3.517 1.00 . A A . 9 PHE C 1 1 10 3151 1 1 9 PHE CA C -1.237 1.893 2.940 1.00 . A A . 9 PHE CA 1 1 10 3152 1 1 9 PHE CB C -1.699 2.950 3.972 1.00 . A A . 9 PHE CB 1 1 10 3153 1 1 9 PHE CD1 C 0.243 4.602 4.067 1.00 . A A . 9 PHE CD1 1 1 10 3154 1 1 9 PHE CD2 C -0.323 3.391 6.083 1.00 . A A . 9 PHE CD2 1 1 10 3155 1 1 9 PHE CE1 C 1.295 5.231 4.741 1.00 . A A . 9 PHE CE1 1 1 10 3156 1 1 9 PHE CE2 C 0.727 4.025 6.756 1.00 . A A . 9 PHE CE2 1 1 10 3157 1 1 9 PHE CG C -0.563 3.668 4.732 1.00 . A A . 9 PHE CG 1 1 10 3158 1 1 9 PHE CZ C 1.532 4.938 6.081 1.00 . A A . 9 PHE CZ 1 1 10 3159 1 1 9 PHE H H -3.139 1.202 2.352 1.00 . A A . 9 PHE H 1 1 10 3160 1 1 9 PHE HA H -0.424 2.374 2.409 1.00 . A A . 9 PHE HA 1 1 10 3161 1 1 9 PHE HB2 H -2.318 3.710 3.469 1.00 . A A . 9 PHE HB2 1 1 10 3162 1 1 9 PHE HB3 H -2.379 2.460 4.674 1.00 . A A . 9 PHE HB3 1 1 10 3163 1 1 9 PHE HD1 H 0.030 4.817 3.025 1.00 . A A . 9 PHE HD1 1 1 10 3164 1 1 9 PHE HD2 H -0.967 2.677 6.590 1.00 . A A . 9 PHE HD2 1 1 10 3165 1 1 9 PHE HE1 H 1.950 5.953 4.262 1.00 . A A . 9 PHE HE1 1 1 10 3166 1 1 9 PHE HE2 H 0.953 3.836 7.802 1.00 . A A . 9 PHE HE2 1 1 10 3167 1 1 9 PHE HZ H 2.344 5.425 6.601 1.00 . A A . 9 PHE HZ 1 1 10 3168 1 1 9 PHE N N -2.271 1.586 1.991 1.00 . A A . 9 PHE N 1 1 10 3169 1 1 9 PHE O O -0.583 0.448 4.742 1.00 . A A . 9 PHE O 1 1 10 3170 1 1 10 ILE C C 1.499 -1.611 3.274 1.00 . A A . 10 ILE C 1 1 10 3171 1 1 10 ILE CA C -0.020 -1.957 3.331 1.00 . A A . 10 ILE CA 1 1 10 3172 1 1 10 ILE CB C -0.350 -3.245 2.519 1.00 . A A . 10 ILE CB 1 1 10 3173 1 1 10 ILE CD1 C -2.376 -4.248 1.283 1.00 . A A . 10 ILE CD1 1 1 10 3174 1 1 10 ILE CG1 C -1.845 -3.568 2.547 1.00 . A A . 10 ILE CG1 1 1 10 3175 1 1 10 ILE CG2 C 0.457 -4.511 2.929 1.00 . A A . 10 ILE CG2 1 1 10 3176 1 1 10 ILE H H -1.302 -0.881 2.068 1.00 . A A . 10 ILE H 1 1 10 3177 1 1 10 ILE HA H -0.435 -2.124 4.333 1.00 . A A . 10 ILE HA 1 1 10 3178 1 1 10 ILE HB H -0.105 -3.011 1.493 1.00 . A A . 10 ILE HB 1 1 10 3179 1 1 10 ILE HD11 H -3.461 -4.424 1.360 1.00 . A A . 10 ILE HD11 1 1 10 3180 1 1 10 ILE HD12 H -2.204 -3.615 0.391 1.00 . A A . 10 ILE HD12 1 1 10 3181 1 1 10 ILE HD13 H -1.886 -5.219 1.105 1.00 . A A . 10 ILE HD13 1 1 10 3182 1 1 10 ILE HG12 H -2.046 -4.166 3.434 1.00 . A A . 10 ILE HG12 1 1 10 3183 1 1 10 ILE HG13 H -2.404 -2.638 2.707 1.00 . A A . 10 ILE HG13 1 1 10 3184 1 1 10 ILE HG21 H 1.547 -4.380 2.803 1.00 . A A . 10 ILE HG21 1 1 10 3185 1 1 10 ILE HG22 H 0.286 -4.783 3.988 1.00 . A A . 10 ILE HG22 1 1 10 3186 1 1 10 ILE HG23 H 0.185 -5.392 2.318 1.00 . A A . 10 ILE HG23 1 1 10 3187 1 1 10 ILE N N -0.574 -0.669 2.759 1.00 . A A . 10 ILE N 1 1 10 3188 1 1 10 ILE O O 2.262 -1.977 2.377 1.00 . A A . 10 ILE O 1 1 10 3189 1 1 11 ASN C C 3.650 0.637 3.278 1.00 . A A . 11 ASN C 1 1 10 3190 1 1 11 ASN CA C 3.206 -0.273 4.513 1.00 . A A . 11 ASN CA 1 1 10 3191 1 1 11 ASN CB C 4.118 -1.406 5.008 1.00 . A A . 11 ASN CB 1 1 10 3192 1 1 11 ASN CG C 5.453 -0.977 5.650 1.00 . A A . 11 ASN CG 1 1 10 3193 1 1 11 ASN H H 1.013 -0.725 4.864 1.00 . A A . 11 ASN H 1 1 10 3194 1 1 11 ASN HA H 3.148 0.381 5.394 1.00 . A A . 11 ASN HA 1 1 10 3195 1 1 11 ASN HB2 H 3.531 -2.015 5.727 1.00 . A A . 11 ASN HB2 1 1 10 3196 1 1 11 ASN HB3 H 4.291 -2.060 4.155 1.00 . A A . 11 ASN HB3 1 1 10 3197 1 1 11 ASN HD21 H 6.362 -0.473 7.366 1.00 . A A . 11 ASN HD21 1 1 10 3198 1 1 11 ASN HD22 H 4.574 -0.886 7.447 1.00 . A A . 11 ASN HD22 1 1 10 3199 1 1 11 ASN N N 1.856 -0.824 4.285 1.00 . A A . 11 ASN N 1 1 10 3200 1 1 11 ASN ND2 N 5.467 -0.759 6.955 1.00 . A A . 11 ASN ND2 1 1 10 3201 1 1 11 ASN O O 4.853 0.720 3.025 1.00 . A A . 11 ASN O 1 1 10 3202 1 1 11 ASN OD1 O 6.479 -0.840 4.985 1.00 . A A . 11 ASN OD1 1 1 10 3203 1 1 12 ASN C C 3.434 1.356 0.111 1.00 . A A . 12 ASN C 1 1 10 3204 1 1 12 ASN CA C 3.031 2.197 1.357 1.00 . A A . 12 ASN CA 1 1 10 3205 1 1 12 ASN CB C 3.900 3.398 1.763 1.00 . A A . 12 ASN CB 1 1 10 3206 1 1 12 ASN CG C 4.206 4.431 0.673 1.00 . A A . 12 ASN CG 1 1 10 3207 1 1 12 ASN H H 1.734 1.003 2.459 1.00 . A A . 12 ASN H 1 1 10 3208 1 1 12 ASN HA H 2.091 2.699 1.105 1.00 . A A . 12 ASN HA 1 1 10 3209 1 1 12 ASN HB2 H 3.441 3.883 2.652 1.00 . A A . 12 ASN HB2 1 1 10 3210 1 1 12 ASN HB3 H 4.819 3.027 2.156 1.00 . A A . 12 ASN HB3 1 1 10 3211 1 1 12 ASN HD21 H 3.688 6.331 0.231 1.00 . A A . 12 ASN HD21 1 1 10 3212 1 1 12 ASN HD22 H 2.939 5.385 1.650 1.00 . A A . 12 ASN HD22 1 1 10 3213 1 1 12 ASN N N 2.716 1.328 2.517 1.00 . A A . 12 ASN N 1 1 10 3214 1 1 12 ASN ND2 N 3.448 5.490 0.767 1.00 . A A . 12 ASN ND2 1 1 10 3215 1 1 12 ASN O O 4.584 1.355 -0.324 1.00 . A A . 12 ASN O 1 1 10 3216 1 1 12 ASN OD1 O 5.085 4.301 -0.177 1.00 . A A . 12 ASN OD1 1 1 10 3217 1 1 13 LYS C C 3.360 -1.469 -1.464 1.00 . A A . 13 LYS C 1 1 10 3218 1 1 13 LYS CA C 2.514 -0.186 -1.670 1.00 . A A . 13 LYS CA 1 1 10 3219 1 1 13 LYS CB C 2.854 0.632 -2.951 1.00 . A A . 13 LYS CB 1 1 10 3220 1 1 13 LYS CD C 0.436 1.444 -3.637 1.00 . A A . 13 LYS CD 1 1 10 3221 1 1 13 LYS CE C 0.247 0.604 -4.915 1.00 . A A . 13 LYS CE 1 1 10 3222 1 1 13 LYS CG C 1.904 1.801 -3.313 1.00 . A A . 13 LYS CG 1 1 10 3223 1 1 13 LYS H H 1.542 0.729 0.063 1.00 . A A . 13 LYS H 1 1 10 3224 1 1 13 LYS HA H 1.499 -0.564 -1.823 1.00 . A A . 13 LYS HA 1 1 10 3225 1 1 13 LYS HB2 H 3.878 1.038 -2.849 1.00 . A A . 13 LYS HB2 1 1 10 3226 1 1 13 LYS HB3 H 2.906 -0.060 -3.810 1.00 . A A . 13 LYS HB3 1 1 10 3227 1 1 13 LYS HD2 H -0.022 0.931 -2.770 1.00 . A A . 13 LYS HD2 1 1 10 3228 1 1 13 LYS HD3 H -0.128 2.391 -3.738 1.00 . A A . 13 LYS HD3 1 1 10 3229 1 1 13 LYS HE2 H 0.698 1.118 -5.784 1.00 . A A . 13 LYS HE2 1 1 10 3230 1 1 13 LYS HE3 H 0.767 -0.367 -4.824 1.00 . A A . 13 LYS HE3 1 1 10 3231 1 1 13 LYS HG2 H 1.907 2.528 -2.479 1.00 . A A . 13 LYS HG2 1 1 10 3232 1 1 13 LYS HG3 H 2.335 2.356 -4.164 1.00 . A A . 13 LYS HG3 1 1 10 3233 1 1 13 LYS HZ1 H -1.604 -0.146 -4.427 1.00 . A A . 13 LYS HZ1 1 1 10 3234 1 1 13 LYS HZ2 H -1.667 1.243 -5.353 1.00 . A A . 13 LYS HZ2 1 1 10 3235 1 1 13 LYS HZ3 H -1.280 -0.175 -6.066 1.00 . A A . 13 LYS HZ3 1 1 10 3236 1 1 13 LYS N N 2.421 0.664 -0.451 1.00 . A A . 13 LYS N 1 1 10 3237 1 1 13 LYS NZ N -1.179 0.355 -5.194 1.00 . A A . 13 LYS NZ 1 1 10 3238 1 1 13 LYS O O 4.396 -1.657 -2.108 1.00 . A A . 13 LYS O 1 1 10 3239 1 1 14 HIS C C 5.006 -3.453 0.184 1.00 . A A . 14 HIS C 1 1 10 3240 1 1 14 HIS CA C 3.515 -3.668 -0.211 1.00 . A A . 14 HIS CA 1 1 10 3241 1 1 14 HIS CB C 3.259 -4.781 -1.270 1.00 . A A . 14 HIS CB 1 1 10 3242 1 1 14 HIS CD2 C 1.359 -6.398 -0.515 1.00 . A A . 14 HIS CD2 1 1 10 3243 1 1 14 HIS CE1 C -0.237 -5.584 -1.614 1.00 . A A . 14 HIS CE1 1 1 10 3244 1 1 14 HIS CG C 1.820 -5.312 -1.283 1.00 . A A . 14 HIS CG 1 1 10 3245 1 1 14 HIS H H 2.005 -2.050 -0.110 1.00 . A A . 14 HIS H 1 1 10 3246 1 1 14 HIS HA H 3.022 -4.010 0.714 1.00 . A A . 14 HIS HA 1 1 10 3247 1 1 14 HIS HB2 H 3.547 -4.427 -2.279 1.00 . A A . 14 HIS HB2 1 1 10 3248 1 1 14 HIS HB3 H 3.935 -5.634 -1.076 1.00 . A A . 14 HIS HB3 1 1 10 3249 1 1 14 HIS HD2 H 1.965 -6.987 0.159 1.00 . A A . 14 HIS HD2 1 1 10 3250 1 1 14 HIS HE1 H -1.238 -5.434 -1.992 1.00 . A A . 14 HIS HE1 1 1 10 3251 1 1 14 HIS HE2 H -0.629 -7.283 -0.311 1.00 . A A . 14 HIS HE2 1 1 10 3252 1 1 14 HIS N N 2.863 -2.366 -0.576 1.00 . A A . 14 HIS N 1 1 10 3253 1 1 14 HIS ND1 N 0.781 -4.757 -2.024 1.00 . A A . 14 HIS ND1 1 1 10 3254 1 1 14 HIS NE2 N 0.010 -6.594 -0.726 1.00 . A A . 14 HIS NE2 1 1 10 3255 1 1 14 HIS O O 5.922 -3.973 -0.460 1.00 . A A . 14 HIS O 1 1 10 3256 1 1 15 LEU C C 7.422 -1.554 0.701 1.00 . A A . 15 LEU C 1 1 10 3257 1 1 15 LEU CA C 6.564 -2.300 1.790 1.00 . A A . 15 LEU CA 1 1 10 3258 1 1 15 LEU CB C 7.299 -3.508 2.465 1.00 . A A . 15 LEU CB 1 1 10 3259 1 1 15 LEU CD1 C 5.494 -5.215 3.271 1.00 . A A . 15 LEU CD1 1 1 10 3260 1 1 15 LEU CD2 C 7.751 -5.139 4.346 1.00 . A A . 15 LEU CD2 1 1 10 3261 1 1 15 LEU CG C 6.654 -4.257 3.684 1.00 . A A . 15 LEU CG 1 1 10 3262 1 1 15 LEU H H 4.373 -2.319 1.734 1.00 . A A . 15 LEU H 1 1 10 3263 1 1 15 LEU HA H 6.400 -1.530 2.558 1.00 . A A . 15 LEU HA 1 1 10 3264 1 1 15 LEU HB2 H 7.565 -4.244 1.680 1.00 . A A . 15 LEU HB2 1 1 10 3265 1 1 15 LEU HB3 H 8.279 -3.116 2.796 1.00 . A A . 15 LEU HB3 1 1 10 3266 1 1 15 LEU HD11 H 5.141 -5.852 4.104 1.00 . A A . 15 LEU HD11 1 1 10 3267 1 1 15 LEU HD12 H 5.787 -5.917 2.462 1.00 . A A . 15 LEU HD12 1 1 10 3268 1 1 15 LEU HD13 H 4.597 -4.688 2.903 1.00 . A A . 15 LEU HD13 1 1 10 3269 1 1 15 LEU HD21 H 7.384 -5.709 5.222 1.00 . A A . 15 LEU HD21 1 1 10 3270 1 1 15 LEU HD22 H 8.170 -5.896 3.648 1.00 . A A . 15 LEU HD22 1 1 10 3271 1 1 15 LEU HD23 H 8.615 -4.550 4.702 1.00 . A A . 15 LEU HD23 1 1 10 3272 1 1 15 LEU HG H 6.281 -3.496 4.432 1.00 . A A . 15 LEU HG 1 1 10 3273 1 1 15 LEU N N 5.218 -2.653 1.262 1.00 . A A . 15 LEU N 1 1 10 3274 1 1 15 LEU O O 8.639 -1.754 0.630 1.00 . A A . 15 LEU O 1 1 10 3275 1 1 16 ASN C C 8.219 -0.858 -2.201 1.00 . A A . 16 ASN C 1 1 10 3276 1 1 16 ASN CA C 7.463 0.099 -1.220 1.00 . A A . 16 ASN CA 1 1 10 3277 1 1 16 ASN CB C 8.204 1.302 -0.621 1.00 . A A . 16 ASN CB 1 1 10 3278 1 1 16 ASN CG C 8.755 2.322 -1.624 1.00 . A A . 16 ASN CG 1 1 10 3279 1 1 16 ASN H H 5.789 -0.513 0.028 1.00 . A A . 16 ASN H 1 1 10 3280 1 1 16 ASN HA H 6.673 0.593 -1.796 1.00 . A A . 16 ASN HA 1 1 10 3281 1 1 16 ASN HB2 H 7.521 1.786 0.112 1.00 . A A . 16 ASN HB2 1 1 10 3282 1 1 16 ASN HB3 H 9.019 0.969 -0.007 1.00 . A A . 16 ASN HB3 1 1 10 3283 1 1 16 ASN HD21 H 8.352 4.211 -2.210 1.00 . A A . 16 ASN HD21 1 1 10 3284 1 1 16 ASN HD22 H 7.288 3.284 -0.994 1.00 . A A . 16 ASN HD22 1 1 10 3285 1 1 16 ASN N N 6.796 -0.668 -0.132 1.00 . A A . 16 ASN N 1 1 10 3286 1 1 16 ASN ND2 N 7.997 3.379 -1.727 1.00 . A A . 16 ASN ND2 1 1 10 3287 1 1 16 ASN O O 9.445 -0.804 -2.333 1.00 . A A . 16 ASN O 1 1 10 3288 1 1 16 ASN OD1 O 9.808 2.181 -2.246 1.00 . A A . 16 ASN OD1 1 1 10 3289 1 1 17 GLU C C 9.063 -3.697 -3.238 1.00 . A A . 17 GLU C 1 1 10 3290 1 1 17 GLU CA C 7.916 -2.792 -3.785 1.00 . A A . 17 GLU CA 1 1 10 3291 1 1 17 GLU CB C 8.099 -2.185 -5.179 1.00 . A A . 17 GLU CB 1 1 10 3292 1 1 17 GLU CD C 6.989 -1.002 -7.175 1.00 . A A . 17 GLU CD 1 1 10 3293 1 1 17 GLU CG C 6.817 -1.550 -5.758 1.00 . A A . 17 GLU CG 1 1 10 3294 1 1 17 GLU H H 6.453 -1.563 -2.951 1.00 . A A . 17 GLU H 1 1 10 3295 1 1 17 GLU HA H 7.049 -3.434 -3.954 1.00 . A A . 17 GLU HA 1 1 10 3296 1 1 17 GLU HB2 H 8.933 -1.477 -5.157 1.00 . A A . 17 GLU HB2 1 1 10 3297 1 1 17 GLU HB3 H 8.384 -3.008 -5.830 1.00 . A A . 17 GLU HB3 1 1 10 3298 1 1 17 GLU HE2 H 7.606 0.618 -6.291 1.00 . A A . 17 GLU HE2 1 1 10 3299 1 1 17 GLU HG2 H 5.996 -2.286 -5.724 1.00 . A A . 17 GLU HG2 1 1 10 3300 1 1 17 GLU HG3 H 6.474 -0.761 -5.074 1.00 . A A . 17 GLU HG3 1 1 10 3301 1 1 17 GLU N N 7.445 -1.778 -2.829 1.00 . A A . 17 GLU N 1 1 10 3302 1 1 17 GLU O O 10.190 -3.672 -3.743 1.00 . A A . 17 GLU O 1 1 10 3303 1 1 17 GLU OE1 O 6.726 -1.650 -8.188 1.00 . A A . 17 GLU OE1 1 1 10 3304 1 1 17 GLU OE2 O 7.463 0.286 -7.180 1.00 . A A . 17 GLU OE2 1 1 10 3305 1 1 18 HIS C C 10.958 -4.717 -0.944 1.00 . A A . 18 HIS C 1 1 10 3306 1 1 18 HIS CA C 9.666 -5.412 -1.480 1.00 . A A . 18 HIS CA 1 1 10 3307 1 1 18 HIS CB C 9.868 -6.665 -2.364 1.00 . A A . 18 HIS CB 1 1 10 3308 1 1 18 HIS CD2 C 10.752 -9.070 -2.332 1.00 . A A . 18 HIS CD2 1 1 10 3309 1 1 18 HIS CE1 C 11.208 -9.279 -0.292 1.00 . A A . 18 HIS CE1 1 1 10 3310 1 1 18 HIS CG C 10.474 -7.873 -1.663 1.00 . A A . 18 HIS CG 1 1 10 3311 1 1 18 HIS H H 7.746 -4.495 -1.943 1.00 . A A . 18 HIS H 1 1 10 3312 1 1 18 HIS HA H 9.110 -5.781 -0.596 1.00 . A A . 18 HIS HA 1 1 10 3313 1 1 18 HIS HB2 H 8.889 -6.990 -2.768 1.00 . A A . 18 HIS HB2 1 1 10 3314 1 1 18 HIS HB3 H 10.462 -6.402 -3.254 1.00 . A A . 18 HIS HB3 1 1 10 3315 1 1 18 HIS HD2 H 10.563 -9.223 -3.384 1.00 . A A . 18 HIS HD2 1 1 10 3316 1 1 18 HIS HE1 H 11.526 -9.727 0.638 1.00 . A A . 18 HIS HE1 1 1 10 3317 1 1 18 HIS HE2 H 11.524 -10.984 -1.609 1.00 . A A . 18 HIS HE2 1 1 10 3318 1 1 18 HIS N N 8.742 -4.474 -2.172 1.00 . A A . 18 HIS N 1 1 10 3319 1 1 18 HIS ND1 N 10.754 -7.980 -0.307 1.00 . A A . 18 HIS ND1 1 1 10 3320 1 1 18 HIS NE2 N 11.246 -10.010 -1.450 1.00 . A A . 18 HIS NE2 1 1 10 3321 1 1 18 HIS O O 12.025 -4.797 -1.561 1.00 . A A . 18 HIS O 1 1 10 3322 1 1 19 ALA C C 11.534 -3.049 2.337 1.00 . A A . 19 ALA C 1 1 10 3323 1 1 19 ALA CA C 11.928 -3.289 0.855 1.00 . A A . 19 ALA CA 1 1 10 3324 1 1 19 ALA CB C 12.265 -1.970 0.123 1.00 . A A . 19 ALA CB 1 1 10 3325 1 1 19 ALA H H 9.923 -4.125 0.673 1.00 . A A . 19 ALA H 1 1 10 3326 1 1 19 ALA HA H 12.818 -3.939 0.816 1.00 . A A . 19 ALA HA 1 1 10 3327 1 1 19 ALA HB1 H 12.588 -2.150 -0.920 1.00 . A A . 19 ALA HB1 1 1 10 3328 1 1 19 ALA HB2 H 11.402 -1.279 0.081 1.00 . A A . 19 ALA HB2 1 1 10 3329 1 1 19 ALA HB3 H 13.092 -1.431 0.622 1.00 . A A . 19 ALA HB3 1 1 10 3330 1 1 19 ALA N N 10.819 -4.015 0.198 1.00 . A A . 19 ALA N 1 1 10 3331 1 1 19 ALA O O 10.839 -2.081 2.662 1.00 . A A . 19 ALA O 1 1 10 3332 1 1 20 HIS C C 12.672 -2.859 5.415 1.00 . A A . 20 HIS C 1 1 10 3333 1 1 20 HIS CA C 11.721 -3.860 4.690 1.00 . A A . 20 HIS CA 1 1 10 3334 1 1 20 HIS CB C 11.686 -5.293 5.284 1.00 . A A . 20 HIS CB 1 1 10 3335 1 1 20 HIS CD2 C 10.849 -6.595 7.330 1.00 . A A . 20 HIS CD2 1 1 10 3336 1 1 20 HIS CE1 C 9.792 -5.080 8.330 1.00 . A A . 20 HIS CE1 1 1 10 3337 1 1 20 HIS CG C 10.969 -5.394 6.623 1.00 . A A . 20 HIS CG 1 1 10 3338 1 1 20 HIS H H 12.449 -4.766 2.843 1.00 . A A . 20 HIS H 1 1 10 3339 1 1 20 HIS HXT H 14.475 -2.466 6.048 1.00 . A A . 20 HIS HXT 1 1 10 3340 1 1 20 HIS HA H 10.693 -3.484 4.792 1.00 . A A . 20 HIS HA 1 1 10 3341 1 1 20 HIS HB2 H 11.161 -5.990 4.601 1.00 . A A . 20 HIS HB2 1 1 10 3342 1 1 20 HIS HB3 H 12.707 -5.709 5.379 1.00 . A A . 20 HIS HB3 1 1 10 3343 1 1 20 HIS HD2 H 11.267 -7.532 6.993 1.00 . A A . 20 HIS HD2 1 1 10 3344 1 1 20 HIS HE1 H 9.173 -4.589 9.067 1.00 . A A . 20 HIS HE1 1 1 10 3345 1 1 20 HIS HE2 H 9.786 -7.087 9.177 1.00 . A A . 20 HIS HE2 1 1 10 3346 1 1 20 HIS N N 12.002 -3.940 3.236 1.00 . A A . 20 HIS N 1 1 10 3347 1 1 20 HIS ND1 N 10.273 -4.370 7.256 1.00 . A A . 20 HIS ND1 1 1 10 3348 1 1 20 HIS NE2 N 10.084 -6.412 8.464 1.00 . A A . 20 HIS NE2 1 1 10 3349 1 1 20 HIS O O 12.238 -1.787 5.837 1.00 . A A . 20 HIS O 1 1 10 3350 1 1 20 HIS OXT O 14.031 -3.182 5.587 1.00 . A A . 20 HIS OXT 1 1 11 3351 1 1 1 SER C C 16.163 11.150 4.249 1.00 . A A . 1 SER C 1 1 11 3352 1 1 1 SER CA C 15.543 12.536 4.594 1.00 . A A . 1 SER CA 1 1 11 3353 1 1 1 SER CB C 16.104 13.813 3.955 1.00 . A A . 1 SER CB 1 1 11 3354 1 1 1 SER H1 H 15.839 13.708 5.923 1.00 . A A . 1 SER H1 1 1 11 3355 1 1 1 SER H2 H 16.121 12.551 6.712 1.00 . A A . 1 SER H2 1 1 11 3356 1 1 1 SER H3 H 14.550 13.260 6.336 1.00 . A A . 1 SER H3 1 1 11 3357 1 1 1 SER HA H 14.524 12.502 4.192 1.00 . A A . 1 SER HA 1 1 11 3358 1 1 1 SER HB2 H 15.322 14.599 3.957 1.00 . A A . 1 SER HB2 1 1 11 3359 1 1 1 SER HB3 H 16.895 14.185 4.614 1.00 . A A . 1 SER HB3 1 1 11 3360 1 1 1 SER HG H 17.267 12.966 2.677 1.00 . A A . 1 SER HG 1 1 11 3361 1 1 1 SER N N 15.403 12.806 6.050 1.00 . A A . 1 SER N 1 1 11 3362 1 1 1 SER O O 17.177 11.022 3.556 1.00 . A A . 1 SER O 1 1 11 3363 1 1 1 SER OG O 16.572 13.628 2.624 1.00 . A A . 1 SER OG 1 1 11 3364 1 1 2 ASP C C 14.571 7.870 5.010 1.00 . A A . 2 ASP C 1 1 11 3365 1 1 2 ASP CA C 15.819 8.701 4.586 1.00 . A A . 2 ASP CA 1 1 11 3366 1 1 2 ASP CB C 17.123 8.294 5.351 1.00 . A A . 2 ASP CB 1 1 11 3367 1 1 2 ASP CG C 17.724 6.970 4.858 1.00 . A A . 2 ASP CG 1 1 11 3368 1 1 2 ASP H H 14.653 10.437 5.298 1.00 . A A . 2 ASP H 1 1 11 3369 1 1 2 ASP HA H 15.950 8.564 3.494 1.00 . A A . 2 ASP HA 1 1 11 3370 1 1 2 ASP HB2 H 17.910 9.073 5.279 1.00 . A A . 2 ASP HB2 1 1 11 3371 1 1 2 ASP HB3 H 16.925 8.233 6.439 1.00 . A A . 2 ASP HB3 1 1 11 3372 1 1 2 ASP HD2 H 17.672 5.070 5.279 1.00 . A A . 2 ASP HD2 1 1 11 3373 1 1 2 ASP N N 15.484 10.124 4.787 1.00 . A A . 2 ASP N 1 1 11 3374 1 1 2 ASP O O 14.533 7.259 6.087 1.00 . A A . 2 ASP O 1 1 11 3375 1 1 2 ASP OD1 O 18.503 6.894 3.908 1.00 . A A . 2 ASP OD1 1 1 11 3376 1 1 2 ASP OD2 O 17.293 5.895 5.592 1.00 . A A . 2 ASP OD2 1 1 11 3377 1 1 3 THR C C 12.417 5.522 4.525 1.00 . A A . 3 THR C 1 1 11 3378 1 1 3 THR CA C 12.306 7.076 4.345 1.00 . A A . 3 THR CA 1 1 11 3379 1 1 3 THR CB C 11.278 7.545 3.282 1.00 . A A . 3 THR CB 1 1 11 3380 1 1 3 THR CG2 C 9.875 7.589 3.877 1.00 . A A . 3 THR CG2 1 1 11 3381 1 1 3 THR H H 13.434 8.591 3.468 1.00 . A A . 3 THR H 1 1 11 3382 1 1 3 THR HA H 11.928 7.453 5.301 1.00 . A A . 3 THR HA 1 1 11 3383 1 1 3 THR HB H 11.346 6.836 2.459 1.00 . A A . 3 THR HB 1 1 11 3384 1 1 3 THR HG1 H 12.375 8.830 2.345 1.00 . A A . 3 THR HG1 1 1 11 3385 1 1 3 THR HG21 H 9.134 7.837 3.101 1.00 . A A . 3 THR HG21 1 1 11 3386 1 1 3 THR HG22 H 9.835 8.367 4.665 1.00 . A A . 3 THR HG22 1 1 11 3387 1 1 3 THR HG23 H 9.612 6.628 4.345 1.00 . A A . 3 THR HG23 1 1 11 3388 1 1 3 THR N N 13.561 7.811 4.117 1.00 . A A . 3 THR N 1 1 11 3389 1 1 3 THR O O 11.505 4.924 5.105 1.00 . A A . 3 THR O 1 1 11 3390 1 1 3 THR OG1 O 11.498 8.851 2.738 1.00 . A A . 3 THR OG1 1 1 11 3391 1 1 4 ARG C C 13.884 3.058 5.732 1.00 . A A . 4 ARG C 1 1 11 3392 1 1 4 ARG CA C 13.740 3.405 4.214 1.00 . A A . 4 ARG CA 1 1 11 3393 1 1 4 ARG CB C 14.997 2.936 3.428 1.00 . A A . 4 ARG CB 1 1 11 3394 1 1 4 ARG CD C 14.863 4.247 1.160 1.00 . A A . 4 ARG CD 1 1 11 3395 1 1 4 ARG CG C 14.898 2.867 1.884 1.00 . A A . 4 ARG CG 1 1 11 3396 1 1 4 ARG CZ C 14.949 5.066 -1.207 1.00 . A A . 4 ARG CZ 1 1 11 3397 1 1 4 ARG H H 14.144 5.438 3.493 1.00 . A A . 4 ARG H 1 1 11 3398 1 1 4 ARG HA H 12.834 2.898 3.836 1.00 . A A . 4 ARG HA 1 1 11 3399 1 1 4 ARG HB2 H 15.883 3.541 3.714 1.00 . A A . 4 ARG HB2 1 1 11 3400 1 1 4 ARG HB3 H 15.258 1.916 3.771 1.00 . A A . 4 ARG HB3 1 1 11 3401 1 1 4 ARG HD2 H 13.905 4.778 1.342 1.00 . A A . 4 ARG HD2 1 1 11 3402 1 1 4 ARG HD3 H 15.640 4.937 1.555 1.00 . A A . 4 ARG HD3 1 1 11 3403 1 1 4 ARG HE H 15.316 3.159 -0.635 1.00 . A A . 4 ARG HE 1 1 11 3404 1 1 4 ARG HG2 H 15.767 2.269 1.536 1.00 . A A . 4 ARG HG2 1 1 11 3405 1 1 4 ARG HG3 H 14.033 2.232 1.599 1.00 . A A . 4 ARG HG3 1 1 11 3406 1 1 4 ARG HH11 H 14.561 6.981 -1.686 1.00 . A A . 4 ARG HH11 1 1 11 3407 1 1 4 ARG HH12 H 14.459 6.526 0.088 1.00 . A A . 4 ARG HH12 1 1 11 3408 1 1 4 ARG HH21 H 15.063 5.538 -3.150 1.00 . A A . 4 ARG HH21 1 1 11 3409 1 1 4 ARG HH22 H 15.411 3.797 -2.686 1.00 . A A . 4 ARG HH22 1 1 11 3410 1 1 4 ARG N N 13.502 4.867 4.045 1.00 . A A . 4 ARG N 1 1 11 3411 1 1 4 ARG NE N 15.068 4.078 -0.299 1.00 . A A . 4 ARG NE 1 1 11 3412 1 1 4 ARG NH1 N 14.622 6.321 -0.905 1.00 . A A . 4 ARG NH1 1 1 11 3413 1 1 4 ARG NH2 N 15.163 4.771 -2.477 1.00 . A A . 4 ARG NH2 1 1 11 3414 1 1 4 ARG O O 13.227 2.129 6.209 1.00 . A A . 4 ARG O 1 1 11 3415 1 1 5 TYR C C 13.602 3.974 8.715 1.00 . A A . 5 TYR C 1 1 11 3416 1 1 5 TYR CA C 14.937 3.653 7.941 1.00 . A A . 5 TYR CA 1 1 11 3417 1 1 5 TYR CB C 16.172 4.415 8.482 1.00 . A A . 5 TYR CB 1 1 11 3418 1 1 5 TYR CD1 C 17.284 2.969 10.267 1.00 . A A . 5 TYR CD1 1 1 11 3419 1 1 5 TYR CD2 C 16.162 4.987 10.972 1.00 . A A . 5 TYR CD2 1 1 11 3420 1 1 5 TYR CE1 C 17.622 2.696 11.591 1.00 . A A . 5 TYR CE1 1 1 11 3421 1 1 5 TYR CE2 C 16.498 4.712 12.295 1.00 . A A . 5 TYR CE2 1 1 11 3422 1 1 5 TYR CG C 16.551 4.117 9.947 1.00 . A A . 5 TYR CG 1 1 11 3423 1 1 5 TYR CZ C 17.230 3.567 12.605 1.00 . A A . 5 TYR CZ 1 1 11 3424 1 1 5 TYR H H 15.200 4.527 5.902 1.00 . A A . 5 TYR H 1 1 11 3425 1 1 5 TYR HA H 15.181 2.608 8.091 1.00 . A A . 5 TYR HA 1 1 11 3426 1 1 5 TYR HB2 H 17.067 4.208 7.862 1.00 . A A . 5 TYR HB2 1 1 11 3427 1 1 5 TYR HB3 H 15.980 5.485 8.356 1.00 . A A . 5 TYR HB3 1 1 11 3428 1 1 5 TYR HD1 H 17.595 2.281 9.491 1.00 . A A . 5 TYR HD1 1 1 11 3429 1 1 5 TYR HD2 H 15.591 5.878 10.749 1.00 . A A . 5 TYR HD2 1 1 11 3430 1 1 5 TYR HE1 H 18.188 1.806 11.828 1.00 . A A . 5 TYR HE1 1 1 11 3431 1 1 5 TYR HE2 H 16.191 5.389 13.079 1.00 . A A . 5 TYR HE2 1 1 11 3432 1 1 5 TYR HH H 18.060 2.477 13.941 1.00 . A A . 5 TYR HH 1 1 11 3433 1 1 5 TYR N N 14.741 3.813 6.466 1.00 . A A . 5 TYR N 1 1 11 3434 1 1 5 TYR O O 13.268 3.259 9.664 1.00 . A A . 5 TYR O 1 1 11 3435 1 1 5 TYR OH O 17.561 3.297 13.909 1.00 . A A . 5 TYR OH 1 1 11 3436 1 1 6 ASN C C 10.413 4.360 8.815 1.00 . A A . 6 ASN C 1 1 11 3437 1 1 6 ASN CA C 11.552 5.434 8.886 1.00 . A A . 6 ASN CA 1 1 11 3438 1 1 6 ASN CB C 10.999 6.674 8.101 1.00 . A A . 6 ASN CB 1 1 11 3439 1 1 6 ASN CG C 11.672 8.024 8.420 1.00 . A A . 6 ASN CG 1 1 11 3440 1 1 6 ASN H H 13.266 5.539 7.509 1.00 . A A . 6 ASN H 1 1 11 3441 1 1 6 ASN HA H 11.715 5.721 9.932 1.00 . A A . 6 ASN HA 1 1 11 3442 1 1 6 ASN HB2 H 11.044 6.487 7.009 1.00 . A A . 6 ASN HB2 1 1 11 3443 1 1 6 ASN HB3 H 9.904 6.796 8.244 1.00 . A A . 6 ASN HB3 1 1 11 3444 1 1 6 ASN HD21 H 11.740 9.567 9.701 1.00 . A A . 6 ASN HD21 1 1 11 3445 1 1 6 ASN HD22 H 10.554 8.216 10.076 1.00 . A A . 6 ASN HD22 1 1 11 3446 1 1 6 ASN N N 12.865 5.036 8.303 1.00 . A A . 6 ASN N 1 1 11 3447 1 1 6 ASN ND2 N 11.283 8.668 9.511 1.00 . A A . 6 ASN ND2 1 1 11 3448 1 1 6 ASN O O 9.487 4.401 9.630 1.00 . A A . 6 ASN O 1 1 11 3449 1 1 6 ASN OD1 O 12.536 8.504 7.690 1.00 . A A . 6 ASN OD1 1 1 11 3450 1 1 7 LYS C C 8.206 2.846 6.861 1.00 . A A . 7 LYS C 1 1 11 3451 1 1 7 LYS CA C 9.499 2.351 7.588 1.00 . A A . 7 LYS CA 1 1 11 3452 1 1 7 LYS CB C 9.178 1.369 8.738 1.00 . A A . 7 LYS CB 1 1 11 3453 1 1 7 LYS CD C 11.432 0.031 9.021 1.00 . A A . 7 LYS CD 1 1 11 3454 1 1 7 LYS CE C 11.015 -1.402 8.623 1.00 . A A . 7 LYS CE 1 1 11 3455 1 1 7 LYS CG C 10.337 0.915 9.661 1.00 . A A . 7 LYS CG 1 1 11 3456 1 1 7 LYS H H 11.406 3.385 7.397 1.00 . A A . 7 LYS H 1 1 11 3457 1 1 7 LYS HA H 10.009 1.724 6.834 1.00 . A A . 7 LYS HA 1 1 11 3458 1 1 7 LYS HB2 H 8.381 1.819 9.348 1.00 . A A . 7 LYS HB2 1 1 11 3459 1 1 7 LYS HB3 H 8.719 0.476 8.265 1.00 . A A . 7 LYS HB3 1 1 11 3460 1 1 7 LYS HD2 H 11.834 0.547 8.131 1.00 . A A . 7 LYS HD2 1 1 11 3461 1 1 7 LYS HD3 H 12.292 -0.026 9.715 1.00 . A A . 7 LYS HD3 1 1 11 3462 1 1 7 LYS HE2 H 10.148 -1.380 7.937 1.00 . A A . 7 LYS HE2 1 1 11 3463 1 1 7 LYS HE3 H 11.835 -1.869 8.050 1.00 . A A . 7 LYS HE3 1 1 11 3464 1 1 7 LYS HG2 H 10.821 1.811 10.093 1.00 . A A . 7 LYS HG2 1 1 11 3465 1 1 7 LYS HG3 H 9.909 0.390 10.533 1.00 . A A . 7 LYS HG3 1 1 11 3466 1 1 7 LYS HZ1 H 10.455 -3.194 9.465 1.00 . A A . 7 LYS HZ1 1 1 11 3467 1 1 7 LYS HZ2 H 9.941 -1.858 10.329 1.00 . A A . 7 LYS HZ2 1 1 11 3468 1 1 7 LYS HZ3 H 11.511 -2.309 10.412 1.00 . A A . 7 LYS HZ3 1 1 11 3469 1 1 7 LYS N N 10.484 3.434 7.834 1.00 . A A . 7 LYS N 1 1 11 3470 1 1 7 LYS NZ N 10.705 -2.266 9.779 1.00 . A A . 7 LYS NZ 1 1 11 3471 1 1 7 LYS O O 7.457 1.995 6.381 1.00 . A A . 7 LYS O 1 1 11 3472 1 1 8 ASP C C 6.774 4.315 4.525 1.00 . A A . 8 ASP C 1 1 11 3473 1 1 8 ASP CA C 6.737 4.733 6.042 1.00 . A A . 8 ASP CA 1 1 11 3474 1 1 8 ASP CB C 6.651 6.250 6.285 1.00 . A A . 8 ASP CB 1 1 11 3475 1 1 8 ASP CG C 5.382 6.934 5.756 1.00 . A A . 8 ASP CG 1 1 11 3476 1 1 8 ASP H H 8.705 4.773 7.052 1.00 . A A . 8 ASP H 1 1 11 3477 1 1 8 ASP HA H 5.831 4.324 6.496 1.00 . A A . 8 ASP HA 1 1 11 3478 1 1 8 ASP HB2 H 6.738 6.476 7.369 1.00 . A A . 8 ASP HB2 1 1 11 3479 1 1 8 ASP HB3 H 7.526 6.702 5.808 1.00 . A A . 8 ASP HB3 1 1 11 3480 1 1 8 ASP HD2 H 3.535 7.240 6.288 1.00 . A A . 8 ASP HD2 1 1 11 3481 1 1 8 ASP N N 7.917 4.175 6.777 1.00 . A A . 8 ASP N 1 1 11 3482 1 1 8 ASP O O 5.726 4.050 3.930 1.00 . A A . 8 ASP O 1 1 11 3483 1 1 8 ASP OD1 O 5.328 7.517 4.673 1.00 . A A . 8 ASP OD1 1 1 11 3484 1 1 8 ASP OD2 O 4.326 6.813 6.623 1.00 . A A . 8 ASP OD2 1 1 11 3485 1 1 9 PHE C C 7.754 2.350 2.384 1.00 . A A . 9 PHE C 1 1 11 3486 1 1 9 PHE CA C 8.286 3.816 2.557 1.00 . A A . 9 PHE CA 1 1 11 3487 1 1 9 PHE CB C 9.803 4.017 2.291 1.00 . A A . 9 PHE CB 1 1 11 3488 1 1 9 PHE CD1 C 10.020 5.136 0.018 1.00 . A A . 9 PHE CD1 1 1 11 3489 1 1 9 PHE CD2 C 11.177 3.046 0.386 1.00 . A A . 9 PHE CD2 1 1 11 3490 1 1 9 PHE CE1 C 10.575 5.216 -1.266 1.00 . A A . 9 PHE CE1 1 1 11 3491 1 1 9 PHE CE2 C 11.733 3.129 -0.896 1.00 . A A . 9 PHE CE2 1 1 11 3492 1 1 9 PHE CG C 10.311 4.044 0.842 1.00 . A A . 9 PHE CG 1 1 11 3493 1 1 9 PHE CZ C 11.426 4.211 -1.715 1.00 . A A . 9 PHE CZ 1 1 11 3494 1 1 9 PHE H H 8.733 4.628 4.556 1.00 . A A . 9 PHE H 1 1 11 3495 1 1 9 PHE HA H 7.763 4.506 1.908 1.00 . A A . 9 PHE HA 1 1 11 3496 1 1 9 PHE HB2 H 10.144 4.960 2.751 1.00 . A A . 9 PHE HB2 1 1 11 3497 1 1 9 PHE HB3 H 10.333 3.237 2.847 1.00 . A A . 9 PHE HB3 1 1 11 3498 1 1 9 PHE HD1 H 9.369 5.916 0.407 1.00 . A A . 9 PHE HD1 1 1 11 3499 1 1 9 PHE HD2 H 11.411 2.219 1.050 1.00 . A A . 9 PHE HD2 1 1 11 3500 1 1 9 PHE HE1 H 10.376 6.044 -1.939 1.00 . A A . 9 PHE HE1 1 1 11 3501 1 1 9 PHE HE2 H 12.409 2.377 -1.292 1.00 . A A . 9 PHE HE2 1 1 11 3502 1 1 9 PHE HZ H 11.856 4.275 -2.704 1.00 . A A . 9 PHE HZ 1 1 11 3503 1 1 9 PHE N N 8.001 4.250 3.947 1.00 . A A . 9 PHE N 1 1 11 3504 1 1 9 PHE O O 6.812 2.145 1.617 1.00 . A A . 9 PHE O 1 1 11 3505 1 1 10 ILE C C 6.369 -0.313 3.338 1.00 . A A . 10 ILE C 1 1 11 3506 1 1 10 ILE CA C 7.919 -0.065 3.235 1.00 . A A . 10 ILE CA 1 1 11 3507 1 1 10 ILE CB C 8.865 -0.741 4.297 1.00 . A A . 10 ILE CB 1 1 11 3508 1 1 10 ILE CD1 C 11.365 -0.716 5.071 1.00 . A A . 10 ILE CD1 1 1 11 3509 1 1 10 ILE CG1 C 10.371 -0.673 3.906 1.00 . A A . 10 ILE CG1 1 1 11 3510 1 1 10 ILE CG2 C 8.500 -2.195 4.690 1.00 . A A . 10 ILE CG2 1 1 11 3511 1 1 10 ILE H H 9.129 1.694 3.709 1.00 . A A . 10 ILE H 1 1 11 3512 1 1 10 ILE HA H 8.205 -0.515 2.334 1.00 . A A . 10 ILE HA 1 1 11 3513 1 1 10 ILE HB H 8.770 -0.149 5.199 1.00 . A A . 10 ILE HB 1 1 11 3514 1 1 10 ILE HD11 H 11.190 0.119 5.774 1.00 . A A . 10 ILE HD11 1 1 11 3515 1 1 10 ILE HD12 H 12.404 -0.622 4.706 1.00 . A A . 10 ILE HD12 1 1 11 3516 1 1 10 ILE HD13 H 11.294 -1.660 5.636 1.00 . A A . 10 ILE HD13 1 1 11 3517 1 1 10 ILE HG12 H 10.565 -1.499 3.216 1.00 . A A . 10 ILE HG12 1 1 11 3518 1 1 10 ILE HG13 H 10.602 0.250 3.338 1.00 . A A . 10 ILE HG13 1 1 11 3519 1 1 10 ILE HG21 H 8.698 -2.908 3.870 1.00 . A A . 10 ILE HG21 1 1 11 3520 1 1 10 ILE HG22 H 7.438 -2.300 4.974 1.00 . A A . 10 ILE HG22 1 1 11 3521 1 1 10 ILE HG23 H 9.086 -2.543 5.560 1.00 . A A . 10 ILE HG23 1 1 11 3522 1 1 10 ILE N N 8.303 1.390 3.177 1.00 . A A . 10 ILE N 1 1 11 3523 1 1 10 ILE O O 5.662 -0.887 2.472 1.00 . A A . 10 ILE O 1 1 11 3524 1 1 11 ASN C C 3.473 0.666 3.779 1.00 . A A . 11 ASN C 1 1 11 3525 1 1 11 ASN CA C 4.499 0.355 4.891 1.00 . A A . 11 ASN CA 1 1 11 3526 1 1 11 ASN CB C 4.370 1.209 6.168 1.00 . A A . 11 ASN CB 1 1 11 3527 1 1 11 ASN CG C 3.020 1.153 6.911 1.00 . A A . 11 ASN CG 1 1 11 3528 1 1 11 ASN H H 6.748 0.674 4.890 1.00 . A A . 11 ASN H 1 1 11 3529 1 1 11 ASN HA H 4.254 -0.662 5.158 1.00 . A A . 11 ASN HA 1 1 11 3530 1 1 11 ASN HB2 H 5.175 0.958 6.884 1.00 . A A . 11 ASN HB2 1 1 11 3531 1 1 11 ASN HB3 H 4.566 2.239 5.868 1.00 . A A . 11 ASN HB3 1 1 11 3532 1 1 11 ASN HD21 H 1.932 0.142 8.263 1.00 . A A . 11 ASN HD21 1 1 11 3533 1 1 11 ASN HD22 H 3.616 -0.487 7.882 1.00 . A A . 11 ASN HD22 1 1 11 3534 1 1 11 ASN N N 5.916 0.290 4.441 1.00 . A A . 11 ASN N 1 1 11 3535 1 1 11 ASN ND2 N 2.834 0.168 7.774 1.00 . A A . 11 ASN ND2 1 1 11 3536 1 1 11 ASN O O 2.310 0.278 3.935 1.00 . A A . 11 ASN O 1 1 11 3537 1 1 11 ASN OD1 O 2.141 1.992 6.711 1.00 . A A . 11 ASN OD1 1 1 11 3538 1 1 12 ASN C C 3.064 0.302 0.724 1.00 . A A . 12 ASN C 1 1 11 3539 1 1 12 ASN CA C 2.993 1.616 1.569 1.00 . A A . 12 ASN CA 1 1 11 3540 1 1 12 ASN CB C 3.219 3.042 1.002 1.00 . A A . 12 ASN CB 1 1 11 3541 1 1 12 ASN CG C 2.051 3.616 0.194 1.00 . A A . 12 ASN CG 1 1 11 3542 1 1 12 ASN H H 4.868 1.392 2.459 1.00 . A A . 12 ASN H 1 1 11 3543 1 1 12 ASN HA H 1.992 1.581 1.891 1.00 . A A . 12 ASN HA 1 1 11 3544 1 1 12 ASN HB2 H 3.503 3.744 1.817 1.00 . A A . 12 ASN HB2 1 1 11 3545 1 1 12 ASN HB3 H 4.081 3.054 0.366 1.00 . A A . 12 ASN HB3 1 1 11 3546 1 1 12 ASN HD21 H 0.579 4.966 0.470 1.00 . A A . 12 ASN HD21 1 1 11 3547 1 1 12 ASN HD22 H 1.744 4.434 1.824 1.00 . A A . 12 ASN HD22 1 1 11 3548 1 1 12 ASN N N 3.876 1.369 2.689 1.00 . A A . 12 ASN N 1 1 11 3549 1 1 12 ASN ND2 N 1.257 4.347 0.926 1.00 . A A . 12 ASN ND2 1 1 11 3550 1 1 12 ASN O O 3.242 -0.778 1.285 1.00 . A A . 12 ASN O 1 1 11 3551 1 1 12 ASN OD1 O 1.889 3.448 -1.013 1.00 . A A . 12 ASN OD1 1 1 11 3552 1 1 13 LYS C C 3.510 -2.066 -1.606 1.00 . A A . 13 LYS C 1 1 11 3553 1 1 13 LYS CA C 3.227 -0.518 -1.694 1.00 . A A . 13 LYS CA 1 1 11 3554 1 1 13 LYS CB C 3.976 0.113 -2.917 1.00 . A A . 13 LYS CB 1 1 11 3555 1 1 13 LYS CD C 2.156 1.820 -3.729 1.00 . A A . 13 LYS CD 1 1 11 3556 1 1 13 LYS CE C 1.677 1.132 -5.022 1.00 . A A . 13 LYS CE 1 1 11 3557 1 1 13 LYS CG C 3.632 1.555 -3.370 1.00 . A A . 13 LYS CG 1 1 11 3558 1 1 13 LYS H H 3.941 1.104 -0.350 1.00 . A A . 13 LYS H 1 1 11 3559 1 1 13 LYS HA H 2.171 -0.549 -1.958 1.00 . A A . 13 LYS HA 1 1 11 3560 1 1 13 LYS HB2 H 5.061 0.073 -2.748 1.00 . A A . 13 LYS HB2 1 1 11 3561 1 1 13 LYS HB3 H 3.828 -0.532 -3.803 1.00 . A A . 13 LYS HB3 1 1 11 3562 1 1 13 LYS HD2 H 1.516 1.525 -2.875 1.00 . A A . 13 LYS HD2 1 1 11 3563 1 1 13 LYS HD3 H 2.028 2.915 -3.818 1.00 . A A . 13 LYS HD3 1 1 11 3564 1 1 13 LYS HE2 H 2.312 1.431 -5.876 1.00 . A A . 13 LYS HE2 1 1 11 3565 1 1 13 LYS HE3 H 1.767 0.034 -4.935 1.00 . A A . 13 LYS HE3 1 1 11 3566 1 1 13 LYS HG2 H 3.933 2.259 -2.573 1.00 . A A . 13 LYS HG2 1 1 11 3567 1 1 13 LYS HG3 H 4.273 1.826 -4.230 1.00 . A A . 13 LYS HG3 1 1 11 3568 1 1 13 LYS HZ1 H -0.328 1.175 -4.568 1.00 . A A . 13 LYS HZ1 1 1 11 3569 1 1 13 LYS HZ2 H -0.013 1.031 -6.203 1.00 . A A . 13 LYS HZ2 1 1 11 3570 1 1 13 LYS HZ3 H 0.182 2.482 -5.477 1.00 . A A . 13 LYS HZ3 1 1 11 3571 1 1 13 LYS N N 3.163 0.485 -0.568 1.00 . A A . 13 LYS N 1 1 11 3572 1 1 13 LYS NZ N 0.275 1.472 -5.322 1.00 . A A . 13 LYS NZ 1 1 11 3573 1 1 13 LYS O O 3.830 -2.730 -2.597 1.00 . A A . 13 LYS O 1 1 11 3574 1 1 14 HIS C C 4.915 -4.173 0.196 1.00 . A A . 14 HIS C 1 1 11 3575 1 1 14 HIS CA C 3.407 -4.081 -0.032 1.00 . A A . 14 HIS CA 1 1 11 3576 1 1 14 HIS CB C 2.807 -5.145 -0.998 1.00 . A A . 14 HIS CB 1 1 11 3577 1 1 14 HIS CD2 C 0.323 -5.545 -0.307 1.00 . A A . 14 HIS CD2 1 1 11 3578 1 1 14 HIS CE1 C -0.625 -4.623 -1.943 1.00 . A A . 14 HIS CE1 1 1 11 3579 1 1 14 HIS CG C 1.293 -5.041 -1.195 1.00 . A A . 14 HIS CG 1 1 11 3580 1 1 14 HIS H H 3.581 -1.858 0.250 1.00 . A A . 14 HIS H 1 1 11 3581 1 1 14 HIS HA H 2.893 -4.208 0.939 1.00 . A A . 14 HIS HA 1 1 11 3582 1 1 14 HIS HB2 H 3.313 -5.110 -1.982 1.00 . A A . 14 HIS HB2 1 1 11 3583 1 1 14 HIS HB3 H 3.045 -6.153 -0.613 1.00 . A A . 14 HIS HB3 1 1 11 3584 1 1 14 HIS HD2 H 0.532 -6.065 0.616 1.00 . A A . 14 HIS HD2 1 1 11 3585 1 1 14 HIS HE1 H -1.412 -4.260 -2.589 1.00 . A A . 14 HIS HE1 1 1 11 3586 1 1 14 HIS HE2 H -1.862 -5.504 -0.383 1.00 . A A . 14 HIS HE2 1 1 11 3587 1 1 14 HIS N N 3.272 -2.629 -0.421 1.00 . A A . 14 HIS N 1 1 11 3588 1 1 14 HIS ND1 N 0.689 -4.428 -2.289 1.00 . A A . 14 HIS ND1 1 1 11 3589 1 1 14 HIS NE2 N -0.945 -5.278 -0.784 1.00 . A A . 14 HIS NE2 1 1 11 3590 1 1 14 HIS O O 5.635 -4.693 -0.664 1.00 . A A . 14 HIS O 1 1 11 3591 1 1 15 LEU C C 7.552 -2.733 0.563 1.00 . A A . 15 LEU C 1 1 11 3592 1 1 15 LEU CA C 6.846 -3.616 1.680 1.00 . A A . 15 LEU CA 1 1 11 3593 1 1 15 LEU CB C 7.467 -5.038 1.900 1.00 . A A . 15 LEU CB 1 1 11 3594 1 1 15 LEU CD1 C 5.612 -6.522 2.960 1.00 . A A . 15 LEU CD1 1 1 11 3595 1 1 15 LEU CD2 C 8.040 -7.044 3.339 1.00 . A A . 15 LEU CD2 1 1 11 3596 1 1 15 LEU CG C 7.024 -5.882 3.143 1.00 . A A . 15 LEU CG 1 1 11 3597 1 1 15 LEU H H 4.713 -3.385 2.086 1.00 . A A . 15 LEU H 1 1 11 3598 1 1 15 LEU HA H 6.959 -3.012 2.582 1.00 . A A . 15 LEU HA 1 1 11 3599 1 1 15 LEU HB2 H 7.325 -5.640 0.975 1.00 . A A . 15 LEU HB2 1 1 11 3600 1 1 15 LEU HB3 H 8.569 -4.915 1.925 1.00 . A A . 15 LEU HB3 1 1 11 3601 1 1 15 LEU HD11 H 4.794 -5.780 2.931 1.00 . A A . 15 LEU HD11 1 1 11 3602 1 1 15 LEU HD12 H 5.525 -7.102 2.019 1.00 . A A . 15 LEU HD12 1 1 11 3603 1 1 15 LEU HD13 H 5.348 -7.227 3.770 1.00 . A A . 15 LEU HD13 1 1 11 3604 1 1 15 LEU HD21 H 7.788 -7.704 4.191 1.00 . A A . 15 LEU HD21 1 1 11 3605 1 1 15 LEU HD22 H 9.072 -6.686 3.518 1.00 . A A . 15 LEU HD22 1 1 11 3606 1 1 15 LEU HD23 H 8.108 -7.709 2.453 1.00 . A A . 15 LEU HD23 1 1 11 3607 1 1 15 LEU HG H 7.025 -5.221 4.062 1.00 . A A . 15 LEU HG 1 1 11 3608 1 1 15 LEU N N 5.396 -3.646 1.358 1.00 . A A . 15 LEU N 1 1 11 3609 1 1 15 LEU O O 8.739 -2.942 0.305 1.00 . A A . 15 LEU O 1 1 11 3610 1 1 16 ASN C C 7.915 -1.768 -2.307 1.00 . A A . 16 ASN C 1 1 11 3611 1 1 16 ASN CA C 7.448 -0.844 -1.128 1.00 . A A . 16 ASN CA 1 1 11 3612 1 1 16 ASN CB C 8.445 0.188 -0.617 1.00 . A A . 16 ASN CB 1 1 11 3613 1 1 16 ASN CG C 8.823 1.265 -1.640 1.00 . A A . 16 ASN CG 1 1 11 3614 1 1 16 ASN H H 5.964 -1.391 0.415 1.00 . A A . 16 ASN H 1 1 11 3615 1 1 16 ASN HA H 6.634 -0.213 -1.482 1.00 . A A . 16 ASN HA 1 1 11 3616 1 1 16 ASN HB2 H 8.016 0.624 0.294 1.00 . A A . 16 ASN HB2 1 1 11 3617 1 1 16 ASN HB3 H 9.328 -0.292 -0.255 1.00 . A A . 16 ASN HB3 1 1 11 3618 1 1 16 ASN HD21 H 8.452 3.213 -1.979 1.00 . A A . 16 ASN HD21 1 1 11 3619 1 1 16 ASN HD22 H 7.677 2.271 -0.577 1.00 . A A . 16 ASN HD22 1 1 11 3620 1 1 16 ASN N N 6.866 -1.691 -0.044 1.00 . A A . 16 ASN N 1 1 11 3621 1 1 16 ASN ND2 N 8.145 2.369 -1.484 1.00 . A A . 16 ASN ND2 1 1 11 3622 1 1 16 ASN O O 9.112 -1.905 -2.579 1.00 . A A . 16 ASN O 1 1 11 3623 1 1 16 ASN OD1 O 9.679 1.116 -2.512 1.00 . A A . 16 ASN OD1 1 1 11 3624 1 1 17 GLU C C 8.123 -4.578 -3.777 1.00 . A A . 17 GLU C 1 1 11 3625 1 1 17 GLU CA C 7.135 -3.390 -4.065 1.00 . A A . 17 GLU CA 1 1 11 3626 1 1 17 GLU CB C 7.313 -2.630 -5.384 1.00 . A A . 17 GLU CB 1 1 11 3627 1 1 17 GLU CD C 6.303 -0.969 -7.071 1.00 . A A . 17 GLU CD 1 1 11 3628 1 1 17 GLU CG C 6.126 -1.714 -5.748 1.00 . A A . 17 GLU CG 1 1 11 3629 1 1 17 GLU H H 6.037 -1.968 -3.008 1.00 . A A . 17 GLU H 1 1 11 3630 1 1 17 GLU HA H 6.153 -3.845 -4.201 1.00 . A A . 17 GLU HA 1 1 11 3631 1 1 17 GLU HB2 H 8.258 -2.079 -5.347 1.00 . A A . 17 GLU HB2 1 1 11 3632 1 1 17 GLU HB3 H 7.406 -3.379 -6.170 1.00 . A A . 17 GLU HB3 1 1 11 3633 1 1 17 GLU HE2 H 5.517 -2.557 -7.876 1.00 . A A . 17 GLU HE2 1 1 11 3634 1 1 17 GLU HG2 H 5.190 -2.300 -5.748 1.00 . A A . 17 GLU HG2 1 1 11 3635 1 1 17 GLU HG3 H 5.979 -0.995 -4.932 1.00 . A A . 17 GLU HG3 1 1 11 3636 1 1 17 GLU N N 6.935 -2.449 -2.943 1.00 . A A . 17 GLU N 1 1 11 3637 1 1 17 GLU O O 8.919 -4.971 -4.635 1.00 . A A . 17 GLU O 1 1 11 3638 1 1 17 GLU OE1 O 6.788 0.159 -7.153 1.00 . A A . 17 GLU OE1 1 1 11 3639 1 1 17 GLU OE2 O 5.861 -1.702 -8.143 1.00 . A A . 17 GLU OE2 1 1 11 3640 1 1 18 HIS C C 7.881 -7.491 -1.867 1.00 . A A . 18 HIS C 1 1 11 3641 1 1 18 HIS CA C 8.827 -6.283 -2.074 1.00 . A A . 18 HIS CA 1 1 11 3642 1 1 18 HIS CB C 9.749 -5.785 -0.923 1.00 . A A . 18 HIS CB 1 1 11 3643 1 1 18 HIS CD2 C 11.759 -4.341 -0.234 1.00 . A A . 18 HIS CD2 1 1 11 3644 1 1 18 HIS CE1 C 12.349 -3.554 -2.090 1.00 . A A . 18 HIS CE1 1 1 11 3645 1 1 18 HIS CG C 10.924 -4.847 -1.239 1.00 . A A . 18 HIS CG 1 1 11 3646 1 1 18 HIS H H 7.498 -4.654 -1.857 1.00 . A A . 18 HIS H 1 1 11 3647 1 1 18 HIS HA H 9.513 -6.628 -2.794 1.00 . A A . 18 HIS HA 1 1 11 3648 1 1 18 HIS HB2 H 9.134 -5.303 -0.158 1.00 . A A . 18 HIS HB2 1 1 11 3649 1 1 18 HIS HB3 H 10.160 -6.663 -0.412 1.00 . A A . 18 HIS HB3 1 1 11 3650 1 1 18 HIS HD2 H 11.667 -4.588 0.814 1.00 . A A . 18 HIS HD2 1 1 11 3651 1 1 18 HIS HE1 H 12.900 -2.985 -2.825 1.00 . A A . 18 HIS HE1 1 1 11 3652 1 1 18 HIS HE2 H 13.449 -2.953 -0.311 1.00 . A A . 18 HIS HE2 1 1 11 3653 1 1 18 HIS N N 8.013 -5.165 -2.563 1.00 . A A . 18 HIS N 1 1 11 3654 1 1 18 HIS ND1 N 11.302 -4.351 -2.486 1.00 . A A . 18 HIS ND1 1 1 11 3655 1 1 18 HIS NE2 N 12.702 -3.487 -0.770 1.00 . A A . 18 HIS NE2 1 1 11 3656 1 1 18 HIS O O 7.419 -8.103 -2.835 1.00 . A A . 18 HIS O 1 1 11 3657 1 1 19 ALA C C 7.323 -10.332 -0.488 1.00 . A A . 19 ALA C 1 1 11 3658 1 1 19 ALA CA C 6.753 -8.926 -0.137 1.00 . A A . 19 ALA CA 1 1 11 3659 1 1 19 ALA CB C 5.278 -8.755 -0.570 1.00 . A A . 19 ALA CB 1 1 11 3660 1 1 19 ALA H H 8.207 -7.190 -0.023 1.00 . A A . 19 ALA H 1 1 11 3661 1 1 19 ALA HA H 6.727 -8.838 0.966 1.00 . A A . 19 ALA HA 1 1 11 3662 1 1 19 ALA HB1 H 5.147 -8.842 -1.664 1.00 . A A . 19 ALA HB1 1 1 11 3663 1 1 19 ALA HB2 H 4.630 -9.521 -0.105 1.00 . A A . 19 ALA HB2 1 1 11 3664 1 1 19 ALA HB3 H 4.877 -7.771 -0.268 1.00 . A A . 19 ALA HB3 1 1 11 3665 1 1 19 ALA N N 7.627 -7.811 -0.600 1.00 . A A . 19 ALA N 1 1 11 3666 1 1 19 ALA O O 7.149 -10.819 -1.610 1.00 . A A . 19 ALA O 1 1 11 3667 1 1 20 HIS C C 7.530 -13.455 0.352 1.00 . A A . 20 HIS C 1 1 11 3668 1 1 20 HIS CA C 8.600 -12.318 0.320 1.00 . A A . 20 HIS CA 1 1 11 3669 1 1 20 HIS CB C 9.763 -12.479 1.336 1.00 . A A . 20 HIS CB 1 1 11 3670 1 1 20 HIS CD2 C 11.805 -13.945 1.849 1.00 . A A . 20 HIS CD2 1 1 11 3671 1 1 20 HIS CE1 C 11.806 -15.194 0.162 1.00 . A A . 20 HIS CE1 1 1 11 3672 1 1 20 HIS CG C 10.722 -13.621 1.025 1.00 . A A . 20 HIS CG 1 1 11 3673 1 1 20 HIS H H 8.182 -10.422 1.326 1.00 . A A . 20 HIS H 1 1 11 3674 1 1 20 HIS HXT H 6.259 -14.491 1.409 1.00 . A A . 20 HIS HXT 1 1 11 3675 1 1 20 HIS HA H 9.079 -12.326 -0.671 1.00 . A A . 20 HIS HA 1 1 11 3676 1 1 20 HIS HB2 H 10.378 -11.559 1.379 1.00 . A A . 20 HIS HB2 1 1 11 3677 1 1 20 HIS HB3 H 9.370 -12.604 2.363 1.00 . A A . 20 HIS HB3 1 1 11 3678 1 1 20 HIS HD2 H 12.041 -13.419 2.762 1.00 . A A . 20 HIS HD2 1 1 11 3679 1 1 20 HIS HE1 H 12.112 -15.963 -0.535 1.00 . A A . 20 HIS HE1 1 1 11 3680 1 1 20 HIS HE2 H 13.383 -15.446 1.643 1.00 . A A . 20 HIS HE2 1 1 11 3681 1 1 20 HIS N N 7.993 -10.974 0.489 1.00 . A A . 20 HIS N 1 1 11 3682 1 1 20 HIS ND1 N 10.701 -14.424 -0.110 1.00 . A A . 20 HIS ND1 1 1 11 3683 1 1 20 HIS NE2 N 12.530 -14.986 1.306 1.00 . A A . 20 HIS NE2 1 1 11 3684 1 1 20 HIS O O 7.251 -14.071 -0.678 1.00 . A A . 20 HIS O 1 1 11 3685 1 1 20 HIS OXT O 6.883 -13.776 1.559 1.00 . A A . 20 HIS OXT 1 1 12 3686 1 1 1 SER C C 11.864 2.766 10.248 1.00 . A A . 1 SER C 1 1 12 3687 1 1 1 SER CA C 12.244 3.479 8.911 1.00 . A A . 1 SER CA 1 1 12 3688 1 1 1 SER CB C 12.785 4.906 9.083 1.00 . A A . 1 SER CB 1 1 12 3689 1 1 1 SER H1 H 11.499 4.416 7.577 1.00 . A A . 1 SER H1 1 1 12 3690 1 1 1 SER H2 H 11.163 3.134 7.046 1.00 . A A . 1 SER H2 1 1 12 3691 1 1 1 SER H3 H 10.294 4.067 8.259 1.00 . A A . 1 SER H3 1 1 12 3692 1 1 1 SER HA H 13.057 2.937 8.459 1.00 . A A . 1 SER HA 1 1 12 3693 1 1 1 SER HB2 H 12.830 5.438 8.112 1.00 . A A . 1 SER HB2 1 1 12 3694 1 1 1 SER HB3 H 12.094 5.466 9.722 1.00 . A A . 1 SER HB3 1 1 12 3695 1 1 1 SER HG H 14.335 5.817 9.765 1.00 . A A . 1 SER HG 1 1 12 3696 1 1 1 SER N N 11.115 3.564 7.959 1.00 . A A . 1 SER N 1 1 12 3697 1 1 1 SER O O 12.126 3.267 11.347 1.00 . A A . 1 SER O 1 1 12 3698 1 1 1 SER OG O 14.078 4.896 9.676 1.00 . A A . 1 SER OG 1 1 12 3699 1 1 2 ASP C C 9.787 1.345 12.261 1.00 . A A . 2 ASP C 1 1 12 3700 1 1 2 ASP CA C 10.811 0.698 11.261 1.00 . A A . 2 ASP CA 1 1 12 3701 1 1 2 ASP CB C 12.095 0.072 11.905 1.00 . A A . 2 ASP CB 1 1 12 3702 1 1 2 ASP CG C 11.869 -1.060 12.922 1.00 . A A . 2 ASP CG 1 1 12 3703 1 1 2 ASP H H 10.953 1.388 9.177 1.00 . A A . 2 ASP H 1 1 12 3704 1 1 2 ASP HA H 10.218 -0.101 10.787 1.00 . A A . 2 ASP HA 1 1 12 3705 1 1 2 ASP HB2 H 12.826 -0.315 11.157 1.00 . A A . 2 ASP HB2 1 1 12 3706 1 1 2 ASP HB3 H 12.647 0.902 12.372 1.00 . A A . 2 ASP HB3 1 1 12 3707 1 1 2 ASP HD2 H 12.065 -1.396 14.829 1.00 . A A . 2 ASP HD2 1 1 12 3708 1 1 2 ASP N N 11.263 1.562 10.131 1.00 . A A . 2 ASP N 1 1 12 3709 1 1 2 ASP O O 9.780 0.998 13.443 1.00 . A A . 2 ASP O 1 1 12 3710 1 1 2 ASP OD1 O 11.433 -2.170 12.622 1.00 . A A . 2 ASP OD1 1 1 12 3711 1 1 2 ASP OD2 O 12.208 -0.688 14.196 1.00 . A A . 2 ASP OD2 1 1 12 3712 1 1 3 THR C C 7.069 2.083 13.655 1.00 . A A . 3 THR C 1 1 12 3713 1 1 3 THR CA C 7.785 2.870 12.518 1.00 . A A . 3 THR CA 1 1 12 3714 1 1 3 THR CB C 6.936 3.554 11.419 1.00 . A A . 3 THR CB 1 1 12 3715 1 1 3 THR CG2 C 6.004 4.595 11.990 1.00 . A A . 3 THR CG2 1 1 12 3716 1 1 3 THR H H 8.816 2.371 10.762 1.00 . A A . 3 THR H 1 1 12 3717 1 1 3 THR HA H 8.280 3.688 13.016 1.00 . A A . 3 THR HA 1 1 12 3718 1 1 3 THR HB H 6.352 2.774 10.927 1.00 . A A . 3 THR HB 1 1 12 3719 1 1 3 THR HG1 H 7.088 4.607 9.806 1.00 . A A . 3 THR HG1 1 1 12 3720 1 1 3 THR HG21 H 5.434 5.062 11.172 1.00 . A A . 3 THR HG21 1 1 12 3721 1 1 3 THR HG22 H 6.601 5.364 12.506 1.00 . A A . 3 THR HG22 1 1 12 3722 1 1 3 THR HG23 H 5.311 4.119 12.701 1.00 . A A . 3 THR HG23 1 1 12 3723 1 1 3 THR N N 8.830 2.156 11.760 1.00 . A A . 3 THR N 1 1 12 3724 1 1 3 THR O O 7.458 2.233 14.819 1.00 . A A . 3 THR O 1 1 12 3725 1 1 3 THR OG1 O 7.717 4.245 10.435 1.00 . A A . 3 THR OG1 1 1 12 3726 1 1 4 ARG C C 5.906 -0.995 14.067 1.00 . A A . 4 ARG C 1 1 12 3727 1 1 4 ARG CA C 5.315 0.439 14.311 1.00 . A A . 4 ARG CA 1 1 12 3728 1 1 4 ARG CB C 3.777 0.498 14.040 1.00 . A A . 4 ARG CB 1 1 12 3729 1 1 4 ARG CD C 2.807 2.405 12.573 1.00 . A A . 4 ARG CD 1 1 12 3730 1 1 4 ARG CG C 3.121 1.902 14.015 1.00 . A A . 4 ARG CG 1 1 12 3731 1 1 4 ARG CZ C 1.823 4.457 11.525 1.00 . A A . 4 ARG CZ 1 1 12 3732 1 1 4 ARG H H 5.923 1.130 12.344 1.00 . A A . 4 ARG H 1 1 12 3733 1 1 4 ARG HA H 5.535 0.812 15.313 1.00 . A A . 4 ARG HA 1 1 12 3734 1 1 4 ARG HB2 H 3.529 -0.032 13.098 1.00 . A A . 4 ARG HB2 1 1 12 3735 1 1 4 ARG HB3 H 3.257 -0.112 14.804 1.00 . A A . 4 ARG HB3 1 1 12 3736 1 1 4 ARG HD2 H 3.706 2.379 11.921 1.00 . A A . 4 ARG HD2 1 1 12 3737 1 1 4 ARG HD3 H 2.087 1.731 12.061 1.00 . A A . 4 ARG HD3 1 1 12 3738 1 1 4 ARG HE H 2.226 4.253 13.500 1.00 . A A . 4 ARG HE 1 1 12 3739 1 1 4 ARG HG2 H 2.196 1.867 14.624 1.00 . A A . 4 ARG HG2 1 1 12 3740 1 1 4 ARG HG3 H 3.765 2.616 14.571 1.00 . A A . 4 ARG HG3 1 1 12 3741 1 1 4 ARG HH11 H 1.441 4.566 9.552 1.00 . A A . 4 ARG HH11 1 1 12 3742 1 1 4 ARG HH12 H 2.151 2.997 10.180 1.00 . A A . 4 ARG HH12 1 1 12 3743 1 1 4 ARG HH21 H 1.405 6.054 12.659 1.00 . A A . 4 ARG HH21 1 1 12 3744 1 1 4 ARG HH22 H 1.048 6.180 10.863 1.00 . A A . 4 ARG HH22 1 1 12 3745 1 1 4 ARG N N 6.038 1.290 13.332 1.00 . A A . 4 ARG N 1 1 12 3746 1 1 4 ARG NE N 2.266 3.784 12.606 1.00 . A A . 4 ARG NE 1 1 12 3747 1 1 4 ARG NH1 N 1.802 3.955 10.291 1.00 . A A . 4 ARG NH1 1 1 12 3748 1 1 4 ARG NH2 N 1.380 5.689 11.699 1.00 . A A . 4 ARG NH2 1 1 12 3749 1 1 4 ARG O O 5.156 -1.953 13.882 1.00 . A A . 4 ARG O 1 1 12 3750 1 1 5 TYR C C 7.852 -2.670 12.339 1.00 . A A . 5 TYR C 1 1 12 3751 1 1 5 TYR CA C 8.006 -2.418 13.905 1.00 . A A . 5 TYR CA 1 1 12 3752 1 1 5 TYR CB C 7.655 -3.540 14.901 1.00 . A A . 5 TYR CB 1 1 12 3753 1 1 5 TYR CD1 C 9.772 -4.954 15.051 1.00 . A A . 5 TYR CD1 1 1 12 3754 1 1 5 TYR CD2 C 7.745 -6.009 14.265 1.00 . A A . 5 TYR CD2 1 1 12 3755 1 1 5 TYR CE1 C 10.457 -6.158 14.900 1.00 . A A . 5 TYR CE1 1 1 12 3756 1 1 5 TYR CE2 C 8.432 -7.212 14.113 1.00 . A A . 5 TYR CE2 1 1 12 3757 1 1 5 TYR CG C 8.411 -4.870 14.732 1.00 . A A . 5 TYR CG 1 1 12 3758 1 1 5 TYR CZ C 9.787 -7.286 14.431 1.00 . A A . 5 TYR CZ 1 1 12 3759 1 1 5 TYR H H 7.753 -0.264 14.118 1.00 . A A . 5 TYR H 1 1 12 3760 1 1 5 TYR HA H 9.064 -2.228 14.129 1.00 . A A . 5 TYR HA 1 1 12 3761 1 1 5 TYR HB2 H 7.810 -3.178 15.936 1.00 . A A . 5 TYR HB2 1 1 12 3762 1 1 5 TYR HB3 H 6.579 -3.668 14.819 1.00 . A A . 5 TYR HB3 1 1 12 3763 1 1 5 TYR HD1 H 10.305 -4.087 15.415 1.00 . A A . 5 TYR HD1 1 1 12 3764 1 1 5 TYR HD2 H 6.695 -5.968 14.014 1.00 . A A . 5 TYR HD2 1 1 12 3765 1 1 5 TYR HE1 H 11.506 -6.213 15.146 1.00 . A A . 5 TYR HE1 1 1 12 3766 1 1 5 TYR HE2 H 7.910 -8.085 13.750 1.00 . A A . 5 TYR HE2 1 1 12 3767 1 1 5 TYR HH H 9.854 -9.139 13.953 1.00 . A A . 5 TYR HH 1 1 12 3768 1 1 5 TYR N N 7.258 -1.151 14.151 1.00 . A A . 5 TYR N 1 1 12 3769 1 1 5 TYR O O 7.466 -3.761 11.908 1.00 . A A . 5 TYR O 1 1 12 3770 1 1 5 TYR OH O 10.462 -8.472 14.280 1.00 . A A . 5 TYR OH 1 1 12 3771 1 1 6 ASN C C 6.594 -1.520 9.440 1.00 . A A . 6 ASN C 1 1 12 3772 1 1 6 ASN CA C 8.047 -1.624 10.017 1.00 . A A . 6 ASN CA 1 1 12 3773 1 1 6 ASN CB C 8.857 -2.736 9.268 1.00 . A A . 6 ASN CB 1 1 12 3774 1 1 6 ASN CG C 10.344 -2.923 9.617 1.00 . A A . 6 ASN CG 1 1 12 3775 1 1 6 ASN H H 8.387 -0.738 11.981 1.00 . A A . 6 ASN H 1 1 12 3776 1 1 6 ASN HA H 8.491 -0.654 9.724 1.00 . A A . 6 ASN HA 1 1 12 3777 1 1 6 ASN HB2 H 8.341 -3.705 9.387 1.00 . A A . 6 ASN HB2 1 1 12 3778 1 1 6 ASN HB3 H 8.793 -2.544 8.176 1.00 . A A . 6 ASN HB3 1 1 12 3779 1 1 6 ASN HD21 H 12.213 -2.279 9.272 1.00 . A A . 6 ASN HD21 1 1 12 3780 1 1 6 ASN HD22 H 10.849 -1.410 8.403 1.00 . A A . 6 ASN HD22 1 1 12 3781 1 1 6 ASN N N 8.140 -1.623 11.506 1.00 . A A . 6 ASN N 1 1 12 3782 1 1 6 ASN ND2 N 11.228 -2.128 9.031 1.00 . A A . 6 ASN ND2 1 1 12 3783 1 1 6 ASN O O 6.481 -1.657 8.217 1.00 . A A . 6 ASN O 1 1 12 3784 1 1 6 ASN OD1 O 10.708 -3.807 10.390 1.00 . A A . 6 ASN OD1 1 1 12 3785 1 1 7 LYS C C 3.945 0.046 8.587 1.00 . A A . 7 LYS C 1 1 12 3786 1 1 7 LYS CA C 4.132 -1.147 9.559 1.00 . A A . 7 LYS CA 1 1 12 3787 1 1 7 LYS CB C 2.844 -1.293 10.392 1.00 . A A . 7 LYS CB 1 1 12 3788 1 1 7 LYS CD C 3.029 -3.829 11.101 1.00 . A A . 7 LYS CD 1 1 12 3789 1 1 7 LYS CE C 1.982 -4.434 10.144 1.00 . A A . 7 LYS CE 1 1 12 3790 1 1 7 LYS CG C 2.756 -2.364 11.497 1.00 . A A . 7 LYS CG 1 1 12 3791 1 1 7 LYS H H 5.678 -0.975 11.171 1.00 . A A . 7 LYS H 1 1 12 3792 1 1 7 LYS HA H 4.110 -2.042 8.935 1.00 . A A . 7 LYS HA 1 1 12 3793 1 1 7 LYS HB2 H 2.583 -0.310 10.806 1.00 . A A . 7 LYS HB2 1 1 12 3794 1 1 7 LYS HB3 H 2.044 -1.515 9.651 1.00 . A A . 7 LYS HB3 1 1 12 3795 1 1 7 LYS HD2 H 4.045 -3.908 10.674 1.00 . A A . 7 LYS HD2 1 1 12 3796 1 1 7 LYS HD3 H 3.065 -4.422 12.034 1.00 . A A . 7 LYS HD3 1 1 12 3797 1 1 7 LYS HE2 H 0.964 -4.294 10.548 1.00 . A A . 7 LYS HE2 1 1 12 3798 1 1 7 LYS HE3 H 2.005 -3.915 9.169 1.00 . A A . 7 LYS HE3 1 1 12 3799 1 1 7 LYS HG2 H 3.456 -2.088 12.293 1.00 . A A . 7 LYS HG2 1 1 12 3800 1 1 7 LYS HG3 H 1.759 -2.299 11.973 1.00 . A A . 7 LYS HG3 1 1 12 3801 1 1 7 LYS HZ1 H 2.160 -6.373 10.803 1.00 . A A . 7 LYS HZ1 1 1 12 3802 1 1 7 LYS HZ2 H 3.128 -6.021 9.487 1.00 . A A . 7 LYS HZ2 1 1 12 3803 1 1 7 LYS HZ3 H 1.525 -6.243 9.263 1.00 . A A . 7 LYS HZ3 1 1 12 3804 1 1 7 LYS N N 5.491 -1.227 10.195 1.00 . A A . 7 LYS N 1 1 12 3805 1 1 7 LYS NZ N 2.213 -5.873 9.926 1.00 . A A . 7 LYS NZ 1 1 12 3806 1 1 7 LYS O O 3.215 -0.138 7.606 1.00 . A A . 7 LYS O 1 1 12 3807 1 1 8 ASP C C 4.939 1.959 6.447 1.00 . A A . 8 ASP C 1 1 12 3808 1 1 8 ASP CA C 4.421 2.394 7.869 1.00 . A A . 8 ASP CA 1 1 12 3809 1 1 8 ASP CB C 5.076 3.664 8.424 1.00 . A A . 8 ASP CB 1 1 12 3810 1 1 8 ASP CG C 4.851 4.948 7.612 1.00 . A A . 8 ASP CG 1 1 12 3811 1 1 8 ASP H H 5.038 1.296 9.730 1.00 . A A . 8 ASP H 1 1 12 3812 1 1 8 ASP HA H 3.364 2.648 7.779 1.00 . A A . 8 ASP HA 1 1 12 3813 1 1 8 ASP HB2 H 4.716 3.843 9.454 1.00 . A A . 8 ASP HB2 1 1 12 3814 1 1 8 ASP HB3 H 6.149 3.467 8.491 1.00 . A A . 8 ASP HB3 1 1 12 3815 1 1 8 ASP HD2 H 3.158 5.055 8.568 1.00 . A A . 8 ASP HD2 1 1 12 3816 1 1 8 ASP N N 4.528 1.247 8.837 1.00 . A A . 8 ASP N 1 1 12 3817 1 1 8 ASP O O 4.305 2.286 5.443 1.00 . A A . 8 ASP O 1 1 12 3818 1 1 8 ASP OD1 O 5.661 5.381 6.794 1.00 . A A . 8 ASP OD1 1 1 12 3819 1 1 8 ASP OD2 O 3.651 5.544 7.904 1.00 . A A . 8 ASP OD2 1 1 12 3820 1 1 9 PHE C C 5.746 -0.497 4.624 1.00 . A A . 9 PHE C 1 1 12 3821 1 1 9 PHE CA C 6.666 0.636 5.177 1.00 . A A . 9 PHE CA 1 1 12 3822 1 1 9 PHE CB C 8.139 0.245 5.429 1.00 . A A . 9 PHE CB 1 1 12 3823 1 1 9 PHE CD1 C 9.942 -0.943 4.095 1.00 . A A . 9 PHE CD1 1 1 12 3824 1 1 9 PHE CD2 C 9.238 1.240 3.334 1.00 . A A . 9 PHE CD2 1 1 12 3825 1 1 9 PHE CE1 C 10.905 -0.984 3.080 1.00 . A A . 9 PHE CE1 1 1 12 3826 1 1 9 PHE CE2 C 10.200 1.196 2.318 1.00 . A A . 9 PHE CE2 1 1 12 3827 1 1 9 PHE CG C 9.097 0.165 4.222 1.00 . A A . 9 PHE CG 1 1 12 3828 1 1 9 PHE CZ C 11.026 0.085 2.198 1.00 . A A . 9 PHE CZ 1 1 12 3829 1 1 9 PHE H H 6.503 1.091 7.319 1.00 . A A . 9 PHE H 1 1 12 3830 1 1 9 PHE HA H 6.645 1.415 4.425 1.00 . A A . 9 PHE HA 1 1 12 3831 1 1 9 PHE HB2 H 8.601 0.944 6.154 1.00 . A A . 9 PHE HB2 1 1 12 3832 1 1 9 PHE HB3 H 8.104 -0.713 5.955 1.00 . A A . 9 PHE HB3 1 1 12 3833 1 1 9 PHE HD1 H 9.840 -1.757 4.808 1.00 . A A . 9 PHE HD1 1 1 12 3834 1 1 9 PHE HD2 H 8.604 2.112 3.473 1.00 . A A . 9 PHE HD2 1 1 12 3835 1 1 9 PHE HE1 H 11.578 -1.825 2.944 1.00 . A A . 9 PHE HE1 1 1 12 3836 1 1 9 PHE HE2 H 10.344 2.007 1.611 1.00 . A A . 9 PHE HE2 1 1 12 3837 1 1 9 PHE HZ H 11.773 0.051 1.420 1.00 . A A . 9 PHE HZ 1 1 12 3838 1 1 9 PHE N N 6.063 1.201 6.406 1.00 . A A . 9 PHE N 1 1 12 3839 1 1 9 PHE O O 5.521 -0.487 3.414 1.00 . A A . 9 PHE O 1 1 12 3840 1 1 10 ILE C C 3.043 -1.946 4.141 1.00 . A A . 10 ILE C 1 1 12 3841 1 1 10 ILE CA C 4.245 -2.501 4.985 1.00 . A A . 10 ILE CA 1 1 12 3842 1 1 10 ILE CB C 3.951 -3.500 6.148 1.00 . A A . 10 ILE CB 1 1 12 3843 1 1 10 ILE CD1 C 5.275 -4.795 8.003 1.00 . A A . 10 ILE CD1 1 1 12 3844 1 1 10 ILE CG1 C 5.240 -4.257 6.575 1.00 . A A . 10 ILE CG1 1 1 12 3845 1 1 10 ILE CG2 C 2.806 -4.505 5.862 1.00 . A A . 10 ILE CG2 1 1 12 3846 1 1 10 ILE H H 5.624 -1.558 6.380 1.00 . A A . 10 ILE H 1 1 12 3847 1 1 10 ILE HA H 4.781 -3.060 4.288 1.00 . A A . 10 ILE HA 1 1 12 3848 1 1 10 ILE HB H 3.651 -2.906 6.997 1.00 . A A . 10 ILE HB 1 1 12 3849 1 1 10 ILE HD11 H 4.458 -5.508 8.190 1.00 . A A . 10 ILE HD11 1 1 12 3850 1 1 10 ILE HD12 H 6.234 -5.303 8.200 1.00 . A A . 10 ILE HD12 1 1 12 3851 1 1 10 ILE HD13 H 5.191 -3.973 8.730 1.00 . A A . 10 ILE HD13 1 1 12 3852 1 1 10 ILE HG12 H 5.372 -5.076 5.868 1.00 . A A . 10 ILE HG12 1 1 12 3853 1 1 10 ILE HG13 H 6.141 -3.622 6.465 1.00 . A A . 10 ILE HG13 1 1 12 3854 1 1 10 ILE HG21 H 3.023 -5.140 4.981 1.00 . A A . 10 ILE HG21 1 1 12 3855 1 1 10 ILE HG22 H 2.621 -5.181 6.718 1.00 . A A . 10 ILE HG22 1 1 12 3856 1 1 10 ILE HG23 H 1.849 -3.987 5.665 1.00 . A A . 10 ILE HG23 1 1 12 3857 1 1 10 ILE N N 5.193 -1.431 5.452 1.00 . A A . 10 ILE N 1 1 12 3858 1 1 10 ILE O O 2.687 -2.444 3.069 1.00 . A A . 10 ILE O 1 1 12 3859 1 1 11 ASN C C 1.884 0.914 2.962 1.00 . A A . 11 ASN C 1 1 12 3860 1 1 11 ASN CA C 1.416 -0.055 4.119 1.00 . A A . 11 ASN CA 1 1 12 3861 1 1 11 ASN CB C 0.666 0.661 5.265 1.00 . A A . 11 ASN CB 1 1 12 3862 1 1 11 ASN CG C -0.713 1.250 4.907 1.00 . A A . 11 ASN CG 1 1 12 3863 1 1 11 ASN H H 3.025 -0.720 5.548 1.00 . A A . 11 ASN H 1 1 12 3864 1 1 11 ASN HA H 0.717 -0.775 3.708 1.00 . A A . 11 ASN HA 1 1 12 3865 1 1 11 ASN HB2 H 0.552 -0.006 6.143 1.00 . A A . 11 ASN HB2 1 1 12 3866 1 1 11 ASN HB3 H 1.310 1.471 5.609 1.00 . A A . 11 ASN HB3 1 1 12 3867 1 1 11 ASN HD21 H -2.676 0.858 4.751 1.00 . A A . 11 ASN HD21 1 1 12 3868 1 1 11 ASN HD22 H -1.578 -0.510 5.294 1.00 . A A . 11 ASN HD22 1 1 12 3869 1 1 11 ASN N N 2.512 -0.861 4.685 1.00 . A A . 11 ASN N 1 1 12 3870 1 1 11 ASN ND2 N -1.765 0.452 4.990 1.00 . A A . 11 ASN ND2 1 1 12 3871 1 1 11 ASN O O 1.014 1.399 2.231 1.00 . A A . 11 ASN O 1 1 12 3872 1 1 11 ASN OD1 O -0.839 2.423 4.555 1.00 . A A . 11 ASN OD1 1 1 12 3873 1 1 12 ASN C C 4.043 1.241 0.387 1.00 . A A . 12 ASN C 1 1 12 3874 1 1 12 ASN CA C 3.741 2.070 1.687 1.00 . A A . 12 ASN CA 1 1 12 3875 1 1 12 ASN CB C 4.901 2.955 2.194 1.00 . A A . 12 ASN CB 1 1 12 3876 1 1 12 ASN CG C 5.315 4.111 1.272 1.00 . A A . 12 ASN CG 1 1 12 3877 1 1 12 ASN H H 3.854 0.596 3.252 1.00 . A A . 12 ASN H 1 1 12 3878 1 1 12 ASN HA H 2.979 2.790 1.456 1.00 . A A . 12 ASN HA 1 1 12 3879 1 1 12 ASN HB2 H 4.656 3.340 3.204 1.00 . A A . 12 ASN HB2 1 1 12 3880 1 1 12 ASN HB3 H 5.785 2.369 2.365 1.00 . A A . 12 ASN HB3 1 1 12 3881 1 1 12 ASN HD21 H 5.152 6.121 1.227 1.00 . A A . 12 ASN HD21 1 1 12 3882 1 1 12 ASN HD22 H 4.345 5.070 2.534 1.00 . A A . 12 ASN HD22 1 1 12 3883 1 1 12 ASN N N 3.206 1.215 2.782 1.00 . A A . 12 ASN N 1 1 12 3884 1 1 12 ASN ND2 N 4.788 5.250 1.629 1.00 . A A . 12 ASN ND2 1 1 12 3885 1 1 12 ASN O O 5.100 1.314 -0.240 1.00 . A A . 12 ASN O 1 1 12 3886 1 1 12 ASN OD1 O 6.086 3.996 0.319 1.00 . A A . 12 ASN OD1 1 1 12 3887 1 1 13 LYS C C 3.752 -1.667 -1.098 1.00 . A A . 13 LYS C 1 1 12 3888 1 1 13 LYS CA C 2.890 -0.389 -1.183 1.00 . A A . 13 LYS CA 1 1 12 3889 1 1 13 LYS CB C 2.981 0.416 -2.505 1.00 . A A . 13 LYS CB 1 1 12 3890 1 1 13 LYS CD C 0.478 1.242 -2.649 1.00 . A A . 13 LYS CD 1 1 12 3891 1 1 13 LYS CE C 0.003 0.452 -3.885 1.00 . A A . 13 LYS CE 1 1 12 3892 1 1 13 LYS CG C 1.981 1.593 -2.652 1.00 . A A . 13 LYS CG 1 1 12 3893 1 1 13 LYS H H 2.350 0.457 0.782 1.00 . A A . 13 LYS H 1 1 12 3894 1 1 13 LYS HA H 1.866 -0.771 -1.143 1.00 . A A . 13 LYS HA 1 1 12 3895 1 1 13 LYS HB2 H 4.006 0.816 -2.604 1.00 . A A . 13 LYS HB2 1 1 12 3896 1 1 13 LYS HB3 H 2.848 -0.278 -3.352 1.00 . A A . 13 LYS HB3 1 1 12 3897 1 1 13 LYS HD2 H 0.228 0.694 -1.720 1.00 . A A . 13 LYS HD2 1 1 12 3898 1 1 13 LYS HD3 H -0.089 2.189 -2.578 1.00 . A A . 13 LYS HD3 1 1 12 3899 1 1 13 LYS HE2 H 0.243 1.004 -4.812 1.00 . A A . 13 LYS HE2 1 1 12 3900 1 1 13 LYS HE3 H 0.531 -0.517 -3.954 1.00 . A A . 13 LYS HE3 1 1 12 3901 1 1 13 LYS HG2 H 2.162 2.305 -1.824 1.00 . A A . 13 LYS HG2 1 1 12 3902 1 1 13 LYS HG3 H 2.228 2.158 -3.565 1.00 . A A . 13 LYS HG3 1 1 12 3903 1 1 13 LYS HZ1 H -1.955 1.074 -3.812 1.00 . A A . 13 LYS HZ1 1 1 12 3904 1 1 13 LYS HZ2 H -1.680 -0.371 -3.019 1.00 . A A . 13 LYS HZ2 1 1 12 3905 1 1 13 LYS HZ3 H -1.736 -0.354 -4.653 1.00 . A A . 13 LYS HZ3 1 1 12 3906 1 1 13 LYS N N 3.005 0.489 0.005 1.00 . A A . 13 LYS N 1 1 12 3907 1 1 13 LYS NZ N -1.448 0.201 -3.838 1.00 . A A . 13 LYS NZ 1 1 12 3908 1 1 13 LYS O O 4.660 -1.872 -1.907 1.00 . A A . 13 LYS O 1 1 12 3909 1 1 14 HIS C C 5.644 -3.588 0.341 1.00 . A A . 14 HIS C 1 1 12 3910 1 1 14 HIS CA C 4.120 -3.840 0.146 1.00 . A A . 14 HIS CA 1 1 12 3911 1 1 14 HIS CB C 3.778 -4.943 -0.901 1.00 . A A . 14 HIS CB 1 1 12 3912 1 1 14 HIS CD2 C 1.703 -6.266 -0.029 1.00 . A A . 14 HIS CD2 1 1 12 3913 1 1 14 HIS CE1 C 0.298 -5.671 -1.476 1.00 . A A . 14 HIS CE1 1 1 12 3914 1 1 14 HIS CG C 2.310 -5.381 -0.941 1.00 . A A . 14 HIS CG 1 1 12 3915 1 1 14 HIS H H 2.691 -2.209 0.533 1.00 . A A . 14 HIS H 1 1 12 3916 1 1 14 HIS HA H 3.752 -4.205 1.115 1.00 . A A . 14 HIS HA 1 1 12 3917 1 1 14 HIS HB2 H 4.101 -4.619 -1.909 1.00 . A A . 14 HIS HB2 1 1 12 3918 1 1 14 HIS HB3 H 4.393 -5.840 -0.695 1.00 . A A . 14 HIS HB3 1 1 12 3919 1 1 14 HIS HD2 H 2.197 -6.729 0.813 1.00 . A A . 14 HIS HD2 1 1 12 3920 1 1 14 HIS HE1 H -0.636 -5.592 -2.015 1.00 . A A . 14 HIS HE1 1 1 12 3921 1 1 14 HIS HE2 H -0.336 -7.045 0.086 1.00 . A A . 14 HIS HE2 1 1 12 3922 1 1 14 HIS N N 3.412 -2.547 -0.118 1.00 . A A . 14 HIS N 1 1 12 3923 1 1 14 HIS ND1 N 1.400 -4.975 -1.913 1.00 . A A . 14 HIS ND1 1 1 12 3924 1 1 14 HIS NE2 N 0.380 -6.464 -0.363 1.00 . A A . 14 HIS NE2 1 1 12 3925 1 1 14 HIS O O 6.475 -4.133 -0.397 1.00 . A A . 14 HIS O 1 1 12 3926 1 1 15 LEU C C 8.088 -1.667 0.414 1.00 . A A . 15 LEU C 1 1 12 3927 1 1 15 LEU CA C 7.412 -2.374 1.648 1.00 . A A . 15 LEU CA 1 1 12 3928 1 1 15 LEU CB C 8.223 -3.577 2.230 1.00 . A A . 15 LEU CB 1 1 12 3929 1 1 15 LEU CD1 C 6.657 -5.400 3.207 1.00 . A A . 15 LEU CD1 1 1 12 3930 1 1 15 LEU CD2 C 8.934 -5.039 4.175 1.00 . A A . 15 LEU CD2 1 1 12 3931 1 1 15 LEU CG C 7.726 -4.309 3.525 1.00 . A A . 15 LEU CG 1 1 12 3932 1 1 15 LEU H H 5.221 -2.325 1.882 1.00 . A A . 15 LEU H 1 1 12 3933 1 1 15 LEU HA H 7.402 -1.580 2.409 1.00 . A A . 15 LEU HA 1 1 12 3934 1 1 15 LEU HB2 H 8.383 -4.322 1.428 1.00 . A A . 15 LEU HB2 1 1 12 3935 1 1 15 LEU HB3 H 9.236 -3.184 2.421 1.00 . A A . 15 LEU HB3 1 1 12 3936 1 1 15 LEU HD11 H 5.686 -4.984 2.884 1.00 . A A . 15 LEU HD11 1 1 12 3937 1 1 15 LEU HD12 H 6.428 -6.052 4.072 1.00 . A A . 15 LEU HD12 1 1 12 3938 1 1 15 LEU HD13 H 6.978 -6.089 2.400 1.00 . A A . 15 LEU HD13 1 1 12 3939 1 1 15 LEU HD21 H 8.662 -5.584 5.098 1.00 . A A . 15 LEU HD21 1 1 12 3940 1 1 15 LEU HD22 H 9.390 -5.791 3.498 1.00 . A A . 15 LEU HD22 1 1 12 3941 1 1 15 LEU HD23 H 9.754 -4.347 4.452 1.00 . A A . 15 LEU HD23 1 1 12 3942 1 1 15 LEU HG H 7.312 -3.547 4.251 1.00 . A A . 15 LEU HG 1 1 12 3943 1 1 15 LEU N N 5.997 -2.740 1.344 1.00 . A A . 15 LEU N 1 1 12 3944 1 1 15 LEU O O 9.270 -1.899 0.139 1.00 . A A . 15 LEU O 1 1 12 3945 1 1 16 ASN C C 8.413 -1.013 -2.589 1.00 . A A . 16 ASN C 1 1 12 3946 1 1 16 ASN CA C 7.819 -0.041 -1.516 1.00 . A A . 16 ASN CA 1 1 12 3947 1 1 16 ASN CB C 8.643 1.176 -1.079 1.00 . A A . 16 ASN CB 1 1 12 3948 1 1 16 ASN CG C 8.974 2.184 -2.188 1.00 . A A . 16 ASN CG 1 1 12 3949 1 1 16 ASN H H 6.380 -0.609 0.012 1.00 . A A . 16 ASN H 1 1 12 3950 1 1 16 ASN HA H 6.941 0.441 -1.962 1.00 . A A . 16 ASN HA 1 1 12 3951 1 1 16 ASN HB2 H 8.109 1.663 -0.233 1.00 . A A . 16 ASN HB2 1 1 12 3952 1 1 16 ASN HB3 H 9.561 0.853 -0.633 1.00 . A A . 16 ASN HB3 1 1 12 3953 1 1 16 ASN HD21 H 8.309 3.987 -2.824 1.00 . A A . 16 ASN HD21 1 1 12 3954 1 1 16 ASN HD22 H 7.667 3.156 -1.279 1.00 . A A . 16 ASN HD22 1 1 12 3955 1 1 16 ASN N N 7.341 -0.782 -0.315 1.00 . A A . 16 ASN N 1 1 12 3956 1 1 16 ASN ND2 N 8.309 3.297 -2.064 1.00 . A A . 16 ASN ND2 1 1 12 3957 1 1 16 ASN O O 9.603 -0.957 -2.910 1.00 . A A . 16 ASN O 1 1 12 3958 1 1 16 ASN OD1 O 9.763 1.969 -3.109 1.00 . A A . 16 ASN OD1 1 1 12 3959 1 1 17 GLU C C 9.157 -3.814 -3.767 1.00 . A A . 17 GLU C 1 1 12 3960 1 1 17 GLU CA C 7.880 -2.973 -4.079 1.00 . A A . 17 GLU CA 1 1 12 3961 1 1 17 GLU CB C 7.747 -2.394 -5.493 1.00 . A A . 17 GLU CB 1 1 12 3962 1 1 17 GLU CD C 6.202 -1.325 -7.250 1.00 . A A . 17 GLU CD 1 1 12 3963 1 1 17 GLU CG C 6.342 -1.846 -5.820 1.00 . A A . 17 GLU CG 1 1 12 3964 1 1 17 GLU H H 6.556 -1.744 -3.030 1.00 . A A . 17 GLU H 1 1 12 3965 1 1 17 GLU HA H 7.030 -3.658 -4.056 1.00 . A A . 17 GLU HA 1 1 12 3966 1 1 17 GLU HB2 H 8.525 -1.639 -5.643 1.00 . A A . 17 GLU HB2 1 1 12 3967 1 1 17 GLU HB3 H 7.951 -3.214 -6.178 1.00 . A A . 17 GLU HB3 1 1 12 3968 1 1 17 GLU HE2 H 6.881 0.349 -6.525 1.00 . A A . 17 GLU HE2 1 1 12 3969 1 1 17 GLU HG2 H 5.588 -2.627 -5.617 1.00 . A A . 17 GLU HG2 1 1 12 3970 1 1 17 GLU HG3 H 6.091 -1.060 -5.094 1.00 . A A . 17 GLU HG3 1 1 12 3971 1 1 17 GLU N N 7.556 -1.945 -3.074 1.00 . A A . 17 GLU N 1 1 12 3972 1 1 17 GLU O O 10.131 -3.801 -4.526 1.00 . A A . 17 GLU O 1 1 12 3973 1 1 17 GLU OE1 O 5.789 -2.012 -8.184 1.00 . A A . 17 GLU OE1 1 1 12 3974 1 1 17 GLU OE2 O 6.589 -0.015 -7.365 1.00 . A A . 17 GLU OE2 1 1 12 3975 1 1 18 HIS C C 11.596 -4.655 -1.978 1.00 . A A . 18 HIS C 1 1 12 3976 1 1 18 HIS CA C 10.221 -5.389 -2.100 1.00 . A A . 18 HIS CA 1 1 12 3977 1 1 18 HIS CB C 10.225 -6.721 -2.892 1.00 . A A . 18 HIS CB 1 1 12 3978 1 1 18 HIS CD2 C 11.158 -9.106 -2.863 1.00 . A A . 18 HIS CD2 1 1 12 3979 1 1 18 HIS CE1 C 12.099 -9.122 -0.984 1.00 . A A . 18 HIS CE1 1 1 12 3980 1 1 18 HIS CG C 11.015 -7.855 -2.256 1.00 . A A . 18 HIS CG 1 1 12 3981 1 1 18 HIS H H 8.203 -4.560 -2.166 1.00 . A A . 18 HIS H 1 1 12 3982 1 1 18 HIS HA H 9.919 -5.674 -1.074 1.00 . A A . 18 HIS HA 1 1 12 3983 1 1 18 HIS HB2 H 9.188 -7.086 -3.016 1.00 . A A . 18 HIS HB2 1 1 12 3984 1 1 18 HIS HB3 H 10.583 -6.539 -3.921 1.00 . A A . 18 HIS HB3 1 1 12 3985 1 1 18 HIS HD2 H 10.725 -9.359 -3.819 1.00 . A A . 18 HIS HD2 1 1 12 3986 1 1 18 HIS HE1 H 12.646 -9.480 -0.123 1.00 . A A . 18 HIS HE1 1 1 12 3987 1 1 18 HIS HE2 H 12.138 -10.941 -2.182 1.00 . A A . 18 HIS HE2 1 1 12 3988 1 1 18 HIS N N 9.124 -4.520 -2.610 1.00 . A A . 18 HIS N 1 1 12 3989 1 1 18 HIS ND1 N 11.618 -7.834 -1.004 1.00 . A A . 18 HIS ND1 1 1 12 3990 1 1 18 HIS NE2 N 11.877 -9.957 -2.048 1.00 . A A . 18 HIS NE2 1 1 12 3991 1 1 18 HIS O O 12.468 -4.815 -2.838 1.00 . A A . 18 HIS O 1 1 12 3992 1 1 19 ALA C C 13.251 -1.903 -1.544 1.00 . A A . 19 ALA C 1 1 12 3993 1 1 19 ALA CA C 13.003 -3.098 -0.581 1.00 . A A . 19 ALA CA 1 1 12 3994 1 1 19 ALA CB C 14.262 -3.984 -0.427 1.00 . A A . 19 ALA CB 1 1 12 3995 1 1 19 ALA H H 10.926 -3.738 -0.316 1.00 . A A . 19 ALA H 1 1 12 3996 1 1 19 ALA HA H 12.824 -2.697 0.437 1.00 . A A . 19 ALA HA 1 1 12 3997 1 1 19 ALA HB1 H 15.121 -3.400 -0.043 1.00 . A A . 19 ALA HB1 1 1 12 3998 1 1 19 ALA HB2 H 14.094 -4.811 0.289 1.00 . A A . 19 ALA HB2 1 1 12 3999 1 1 19 ALA HB3 H 14.583 -4.437 -1.383 1.00 . A A . 19 ALA HB3 1 1 12 4000 1 1 19 ALA N N 11.761 -3.853 -0.900 1.00 . A A . 19 ALA N 1 1 12 4001 1 1 19 ALA O O 13.572 -2.094 -2.722 1.00 . A A . 19 ALA O 1 1 12 4002 1 1 20 HIS C C 14.894 0.789 -2.048 1.00 . A A . 20 HIS C 1 1 12 4003 1 1 20 HIS CA C 13.375 0.583 -1.764 1.00 . A A . 20 HIS CA 1 1 12 4004 1 1 20 HIS CB C 12.769 1.764 -0.963 1.00 . A A . 20 HIS CB 1 1 12 4005 1 1 20 HIS CD2 C 12.068 4.222 -1.182 1.00 . A A . 20 HIS CD2 1 1 12 4006 1 1 20 HIS CE1 C 12.321 4.501 -3.249 1.00 . A A . 20 HIS CE1 1 1 12 4007 1 1 20 HIS CG C 12.585 3.052 -1.753 1.00 . A A . 20 HIS CG 1 1 12 4008 1 1 20 HIS H H 12.686 -0.666 -0.089 1.00 . A A . 20 HIS H 1 1 12 4009 1 1 20 HIS HXT H 16.293 0.943 -3.399 1.00 . A A . 20 HIS HXT 1 1 12 4010 1 1 20 HIS HA H 12.799 0.513 -2.703 1.00 . A A . 20 HIS HA 1 1 12 4011 1 1 20 HIS HB2 H 11.768 1.499 -0.576 1.00 . A A . 20 HIS HB2 1 1 12 4012 1 1 20 HIS HB3 H 13.369 1.973 -0.056 1.00 . A A . 20 HIS HB3 1 1 12 4013 1 1 20 HIS HD2 H 11.789 4.312 -0.143 1.00 . A A . 20 HIS HD2 1 1 12 4014 1 1 20 HIS HE1 H 12.303 4.971 -4.221 1.00 . A A . 20 HIS HE1 1 1 12 4015 1 1 20 HIS HE2 H 11.507 6.140 -2.072 1.00 . A A . 20 HIS HE2 1 1 12 4016 1 1 20 HIS N N 13.132 -0.674 -1.009 1.00 . A A . 20 HIS N 1 1 12 4017 1 1 20 HIS ND1 N 12.758 3.203 -3.125 1.00 . A A . 20 HIS ND1 1 1 12 4018 1 1 20 HIS NE2 N 11.896 5.194 -2.147 1.00 . A A . 20 HIS NE2 1 1 12 4019 1 1 20 HIS O O 15.715 0.937 -1.140 1.00 . A A . 20 HIS O 1 1 12 4020 1 1 20 HIS OXT O 15.343 0.809 -3.382 1.00 . A A . 20 HIS OXT 1 1 13 4021 1 1 1 SER C C -13.346 0.507 9.123 1.00 . A A . 1 SER C 1 1 13 4022 1 1 1 SER CA C -12.946 0.342 10.630 1.00 . A A . 1 SER CA 1 1 13 4023 1 1 1 SER CB C -13.987 0.893 11.619 1.00 . A A . 1 SER CB 1 1 13 4024 1 1 1 SER H1 H -11.344 0.907 10.048 1.00 . A A . 1 SER H1 1 1 13 4025 1 1 1 SER H2 H -10.854 0.321 11.254 1.00 . A A . 1 SER H2 1 1 13 4026 1 1 1 SER H3 H -11.541 1.924 11.032 1.00 . A A . 1 SER H3 1 1 13 4027 1 1 1 SER HA H -12.922 -0.715 10.834 1.00 . A A . 1 SER HA 1 1 13 4028 1 1 1 SER HB2 H -13.610 0.883 12.662 1.00 . A A . 1 SER HB2 1 1 13 4029 1 1 1 SER HB3 H -14.192 1.936 11.358 1.00 . A A . 1 SER HB3 1 1 13 4030 1 1 1 SER HG H -15.509 0.205 10.663 1.00 . A A . 1 SER HG 1 1 13 4031 1 1 1 SER N N -11.633 0.917 11.016 1.00 . A A . 1 SER N 1 1 13 4032 1 1 1 SER O O -14.531 0.603 8.786 1.00 . A A . 1 SER O 1 1 13 4033 1 1 1 SER OG O -15.197 0.144 11.569 1.00 . A A . 1 SER OG 1 1 13 4034 1 1 2 ASP C C -11.215 0.100 6.106 1.00 . A A . 2 ASP C 1 1 13 4035 1 1 2 ASP CA C -12.535 0.606 6.759 1.00 . A A . 2 ASP CA 1 1 13 4036 1 1 2 ASP CB C -12.932 2.056 6.324 1.00 . A A . 2 ASP CB 1 1 13 4037 1 1 2 ASP CG C -13.472 2.130 4.889 1.00 . A A . 2 ASP CG 1 1 13 4038 1 1 2 ASP H H -11.436 0.324 8.636 1.00 . A A . 2 ASP H 1 1 13 4039 1 1 2 ASP HA H -13.333 -0.114 6.492 1.00 . A A . 2 ASP HA 1 1 13 4040 1 1 2 ASP HB2 H -13.678 2.511 7.010 1.00 . A A . 2 ASP HB2 1 1 13 4041 1 1 2 ASP HB3 H -12.061 2.730 6.412 1.00 . A A . 2 ASP HB3 1 1 13 4042 1 1 2 ASP HD2 H -15.154 1.931 3.931 1.00 . A A . 2 ASP HD2 1 1 13 4043 1 1 2 ASP N N -12.349 0.510 8.222 1.00 . A A . 2 ASP N 1 1 13 4044 1 1 2 ASP O O -10.391 0.887 5.620 1.00 . A A . 2 ASP O 1 1 13 4045 1 1 2 ASP OD1 O -12.765 2.376 3.912 1.00 . A A . 2 ASP OD1 1 1 13 4046 1 1 2 ASP OD2 O -14.820 1.886 4.830 1.00 . A A . 2 ASP OD2 1 1 13 4047 1 1 3 THR C C -9.606 -1.653 3.950 1.00 . A A . 3 THR C 1 1 13 4048 1 1 3 THR CA C -9.858 -1.887 5.470 1.00 . A A . 3 THR CA 1 1 13 4049 1 1 3 THR CB C -9.845 -3.369 5.917 1.00 . A A . 3 THR CB 1 1 13 4050 1 1 3 THR CG2 C -8.413 -3.860 6.073 1.00 . A A . 3 THR CG2 1 1 13 4051 1 1 3 THR H H -11.480 -1.824 6.763 1.00 . A A . 3 THR H 1 1 13 4052 1 1 3 THR HA H -9.006 -1.422 5.973 1.00 . A A . 3 THR HA 1 1 13 4053 1 1 3 THR HB H -10.377 -3.934 5.151 1.00 . A A . 3 THR HB 1 1 13 4054 1 1 3 THR HG1 H -10.404 -4.576 7.317 1.00 . A A . 3 THR HG1 1 1 13 4055 1 1 3 THR HG21 H -7.910 -3.276 6.869 1.00 . A A . 3 THR HG21 1 1 13 4056 1 1 3 THR HG22 H -8.397 -4.922 6.355 1.00 . A A . 3 THR HG22 1 1 13 4057 1 1 3 THR HG23 H -7.846 -3.715 5.139 1.00 . A A . 3 THR HG23 1 1 13 4058 1 1 3 THR N N -11.043 -1.239 6.048 1.00 . A A . 3 THR N 1 1 13 4059 1 1 3 THR O O -8.438 -1.663 3.561 1.00 . A A . 3 THR O 1 1 13 4060 1 1 3 THR OG1 O -10.476 -3.630 7.176 1.00 . A A . 3 THR OG1 1 1 13 4061 1 1 4 ARG C C -9.590 0.108 1.428 1.00 . A A . 4 ARG C 1 1 13 4062 1 1 4 ARG CA C -10.494 -1.145 1.645 1.00 . A A . 4 ARG CA 1 1 13 4063 1 1 4 ARG CB C -11.870 -0.951 0.948 1.00 . A A . 4 ARG CB 1 1 13 4064 1 1 4 ARG CD C -13.452 -2.792 1.934 1.00 . A A . 4 ARG CD 1 1 13 4065 1 1 4 ARG CG C -12.708 -2.226 0.690 1.00 . A A . 4 ARG CG 1 1 13 4066 1 1 4 ARG CZ C -15.083 -4.640 2.397 1.00 . A A . 4 ARG CZ 1 1 13 4067 1 1 4 ARG H H -11.568 -1.498 3.536 1.00 . A A . 4 ARG H 1 1 13 4068 1 1 4 ARG HA H -9.956 -2.001 1.197 1.00 . A A . 4 ARG HA 1 1 13 4069 1 1 4 ARG HB2 H -12.483 -0.197 1.481 1.00 . A A . 4 ARG HB2 1 1 13 4070 1 1 4 ARG HB3 H -11.694 -0.488 -0.043 1.00 . A A . 4 ARG HB3 1 1 13 4071 1 1 4 ARG HD2 H -12.746 -3.123 2.726 1.00 . A A . 4 ARG HD2 1 1 13 4072 1 1 4 ARG HD3 H -14.071 -2.013 2.428 1.00 . A A . 4 ARG HD3 1 1 13 4073 1 1 4 ARG HE H -14.319 -4.207 0.572 1.00 . A A . 4 ARG HE 1 1 13 4074 1 1 4 ARG HG2 H -13.439 -1.980 -0.112 1.00 . A A . 4 ARG HG2 1 1 13 4075 1 1 4 ARG HG3 H -12.063 -2.994 0.210 1.00 . A A . 4 ARG HG3 1 1 13 4076 1 1 4 ARG HH11 H -14.605 -3.612 4.061 1.00 . A A . 4 ARG HH11 1 1 13 4077 1 1 4 ARG HH12 H -15.794 -4.998 4.246 1.00 . A A . 4 ARG HH12 1 1 13 4078 1 1 4 ARG HH21 H -15.718 -5.808 0.899 1.00 . A A . 4 ARG HH21 1 1 13 4079 1 1 4 ARG HH22 H -16.379 -6.155 2.574 1.00 . A A . 4 ARG HH22 1 1 13 4080 1 1 4 ARG N N -10.646 -1.441 3.104 1.00 . A A . 4 ARG N 1 1 13 4081 1 1 4 ARG NE N -14.312 -3.935 1.544 1.00 . A A . 4 ARG NE 1 1 13 4082 1 1 4 ARG NH1 N -15.170 -4.390 3.703 1.00 . A A . 4 ARG NH1 1 1 13 4083 1 1 4 ARG NH2 N -15.800 -5.635 1.907 1.00 . A A . 4 ARG NH2 1 1 13 4084 1 1 4 ARG O O -8.664 0.062 0.613 1.00 . A A . 4 ARG O 1 1 13 4085 1 1 5 TYR C C -7.605 2.166 2.674 1.00 . A A . 5 TYR C 1 1 13 4086 1 1 5 TYR CA C -9.060 2.451 2.140 1.00 . A A . 5 TYR CA 1 1 13 4087 1 1 5 TYR CB C -9.747 3.648 2.844 1.00 . A A . 5 TYR CB 1 1 13 4088 1 1 5 TYR CD1 C -9.083 5.758 1.562 1.00 . A A . 5 TYR CD1 1 1 13 4089 1 1 5 TYR CD2 C -8.291 5.501 3.830 1.00 . A A . 5 TYR CD2 1 1 13 4090 1 1 5 TYR CE1 C -8.426 6.983 1.473 1.00 . A A . 5 TYR CE1 1 1 13 4091 1 1 5 TYR CE2 C -7.640 6.728 3.741 1.00 . A A . 5 TYR CE2 1 1 13 4092 1 1 5 TYR CG C -9.020 5.006 2.741 1.00 . A A . 5 TYR CG 1 1 13 4093 1 1 5 TYR CZ C -7.706 7.469 2.563 1.00 . A A . 5 TYR CZ 1 1 13 4094 1 1 5 TYR H H -10.703 1.064 2.753 1.00 . A A . 5 TYR H 1 1 13 4095 1 1 5 TYR HA H -9.004 2.746 1.102 1.00 . A A . 5 TYR HA 1 1 13 4096 1 1 5 TYR HB2 H -10.775 3.790 2.457 1.00 . A A . 5 TYR HB2 1 1 13 4097 1 1 5 TYR HB3 H -9.873 3.387 3.899 1.00 . A A . 5 TYR HB3 1 1 13 4098 1 1 5 TYR HD1 H -9.639 5.394 0.709 1.00 . A A . 5 TYR HD1 1 1 13 4099 1 1 5 TYR HD2 H -8.222 4.935 4.748 1.00 . A A . 5 TYR HD2 1 1 13 4100 1 1 5 TYR HE1 H -8.477 7.553 0.557 1.00 . A A . 5 TYR HE1 1 1 13 4101 1 1 5 TYR HE2 H -7.075 7.098 4.584 1.00 . A A . 5 TYR HE2 1 1 13 4102 1 1 5 TYR HH H -6.601 8.845 3.303 1.00 . A A . 5 TYR HH 1 1 13 4103 1 1 5 TYR N N -9.873 1.202 2.173 1.00 . A A . 5 TYR N 1 1 13 4104 1 1 5 TYR O O -6.647 2.653 2.071 1.00 . A A . 5 TYR O 1 1 13 4105 1 1 5 TYR OH O -7.047 8.668 2.471 1.00 . A A . 5 TYR OH 1 1 13 4106 1 1 6 ASN C C -5.266 0.023 3.462 1.00 . A A . 6 ASN C 1 1 13 4107 1 1 6 ASN CA C -6.147 0.973 4.339 1.00 . A A . 6 ASN CA 1 1 13 4108 1 1 6 ASN CB C -6.248 0.383 5.772 1.00 . A A . 6 ASN CB 1 1 13 4109 1 1 6 ASN CG C -7.025 1.179 6.844 1.00 . A A . 6 ASN CG 1 1 13 4110 1 1 6 ASN H H -8.332 0.983 4.120 1.00 . A A . 6 ASN H 1 1 13 4111 1 1 6 ASN HA H -5.593 1.908 4.451 1.00 . A A . 6 ASN HA 1 1 13 4112 1 1 6 ASN HB2 H -6.655 -0.641 5.712 1.00 . A A . 6 ASN HB2 1 1 13 4113 1 1 6 ASN HB3 H -5.213 0.246 6.152 1.00 . A A . 6 ASN HB3 1 1 13 4114 1 1 6 ASN HD21 H -7.075 2.856 7.945 1.00 . A A . 6 ASN HD21 1 1 13 4115 1 1 6 ASN HD22 H -5.681 2.667 6.767 1.00 . A A . 6 ASN HD22 1 1 13 4116 1 1 6 ASN N N -7.457 1.366 3.762 1.00 . A A . 6 ASN N 1 1 13 4117 1 1 6 ASN ND2 N -6.545 2.355 7.224 1.00 . A A . 6 ASN ND2 1 1 13 4118 1 1 6 ASN O O -4.087 -0.120 3.796 1.00 . A A . 6 ASN O 1 1 13 4119 1 1 6 ASN OD1 O -8.050 0.730 7.356 1.00 . A A . 6 ASN OD1 1 1 13 4120 1 1 7 LYS C C -3.899 -0.657 0.721 1.00 . A A . 7 LYS C 1 1 13 4121 1 1 7 LYS CA C -4.925 -1.512 1.509 1.00 . A A . 7 LYS CA 1 1 13 4122 1 1 7 LYS CB C -5.680 -2.501 0.585 1.00 . A A . 7 LYS CB 1 1 13 4123 1 1 7 LYS CD C -6.687 -4.134 2.411 1.00 . A A . 7 LYS CD 1 1 13 4124 1 1 7 LYS CE C -5.854 -5.413 2.220 1.00 . A A . 7 LYS CE 1 1 13 4125 1 1 7 LYS CG C -6.892 -3.290 1.136 1.00 . A A . 7 LYS CG 1 1 13 4126 1 1 7 LYS H H -6.788 -0.580 2.287 1.00 . A A . 7 LYS H 1 1 13 4127 1 1 7 LYS HA H -4.279 -2.066 2.230 1.00 . A A . 7 LYS HA 1 1 13 4128 1 1 7 LYS HB2 H -6.024 -1.947 -0.304 1.00 . A A . 7 LYS HB2 1 1 13 4129 1 1 7 LYS HB3 H -4.941 -3.222 0.193 1.00 . A A . 7 LYS HB3 1 1 13 4130 1 1 7 LYS HD2 H -6.246 -3.507 3.209 1.00 . A A . 7 LYS HD2 1 1 13 4131 1 1 7 LYS HD3 H -7.690 -4.417 2.786 1.00 . A A . 7 LYS HD3 1 1 13 4132 1 1 7 LYS HE2 H -6.289 -6.043 1.422 1.00 . A A . 7 LYS HE2 1 1 13 4133 1 1 7 LYS HE3 H -4.832 -5.162 1.895 1.00 . A A . 7 LYS HE3 1 1 13 4134 1 1 7 LYS HG2 H -7.704 -2.567 1.324 1.00 . A A . 7 LYS HG2 1 1 13 4135 1 1 7 LYS HG3 H -7.292 -3.937 0.332 1.00 . A A . 7 LYS HG3 1 1 13 4136 1 1 7 LYS HZ1 H -6.700 -6.472 3.767 1.00 . A A . 7 LYS HZ1 1 1 13 4137 1 1 7 LYS HZ2 H -5.187 -7.026 3.323 1.00 . A A . 7 LYS HZ2 1 1 13 4138 1 1 7 LYS HZ3 H -5.309 -5.651 4.197 1.00 . A A . 7 LYS HZ3 1 1 13 4139 1 1 7 LYS N N -5.774 -0.644 2.390 1.00 . A A . 7 LYS N 1 1 13 4140 1 1 7 LYS NZ N -5.775 -6.199 3.465 1.00 . A A . 7 LYS NZ 1 1 13 4141 1 1 7 LYS O O -2.795 -1.145 0.471 1.00 . A A . 7 LYS O 1 1 13 4142 1 1 8 ASP C C -2.069 1.780 0.635 1.00 . A A . 8 ASP C 1 1 13 4143 1 1 8 ASP CA C -3.201 1.437 -0.435 1.00 . A A . 8 ASP CA 1 1 13 4144 1 1 8 ASP CB C -3.857 2.652 -1.108 1.00 . A A . 8 ASP CB 1 1 13 4145 1 1 8 ASP CG C -2.947 3.449 -2.054 1.00 . A A . 8 ASP CG 1 1 13 4146 1 1 8 ASP H H -5.211 0.830 0.416 1.00 . A A . 8 ASP H 1 1 13 4147 1 1 8 ASP HA H -2.663 0.879 -1.202 1.00 . A A . 8 ASP HA 1 1 13 4148 1 1 8 ASP HB2 H -4.750 2.337 -1.685 1.00 . A A . 8 ASP HB2 1 1 13 4149 1 1 8 ASP HB3 H -4.216 3.300 -0.306 1.00 . A A . 8 ASP HB3 1 1 13 4150 1 1 8 ASP HD2 H -1.636 4.885 -1.989 1.00 . A A . 8 ASP HD2 1 1 13 4151 1 1 8 ASP N N -4.235 0.563 0.231 1.00 . A A . 8 ASP N 1 1 13 4152 1 1 8 ASP O O -0.911 2.008 0.273 1.00 . A A . 8 ASP O 1 1 13 4153 1 1 8 ASP OD1 O -2.908 3.262 -3.270 1.00 . A A . 8 ASP OD1 1 1 13 4154 1 1 8 ASP OD2 O -2.200 4.388 -1.391 1.00 . A A . 8 ASP OD2 1 1 13 4155 1 1 9 PHE C C -0.982 0.568 3.570 1.00 . A A . 9 PHE C 1 1 13 4156 1 1 9 PHE CA C -1.595 1.950 3.098 1.00 . A A . 9 PHE CA 1 1 13 4157 1 1 9 PHE CB C -2.377 2.748 4.173 1.00 . A A . 9 PHE CB 1 1 13 4158 1 1 9 PHE CD1 C -1.839 5.249 4.172 1.00 . A A . 9 PHE CD1 1 1 13 4159 1 1 9 PHE CD2 C -3.916 4.518 3.171 1.00 . A A . 9 PHE CD2 1 1 13 4160 1 1 9 PHE CE1 C -2.147 6.574 3.836 1.00 . A A . 9 PHE CE1 1 1 13 4161 1 1 9 PHE CE2 C -4.215 5.841 2.826 1.00 . A A . 9 PHE CE2 1 1 13 4162 1 1 9 PHE CG C -2.723 4.216 3.836 1.00 . A A . 9 PHE CG 1 1 13 4163 1 1 9 PHE CZ C -3.332 6.861 3.165 1.00 . A A . 9 PHE CZ 1 1 13 4164 1 1 9 PHE H H -3.443 1.687 2.108 1.00 . A A . 9 PHE H 1 1 13 4165 1 1 9 PHE HA H -0.784 2.610 2.838 1.00 . A A . 9 PHE HA 1 1 13 4166 1 1 9 PHE HB2 H -3.286 2.193 4.415 1.00 . A A . 9 PHE HB2 1 1 13 4167 1 1 9 PHE HB3 H -1.806 2.732 5.114 1.00 . A A . 9 PHE HB3 1 1 13 4168 1 1 9 PHE HD1 H -0.920 4.990 4.688 1.00 . A A . 9 PHE HD1 1 1 13 4169 1 1 9 PHE HD2 H -4.579 3.701 2.920 1.00 . A A . 9 PHE HD2 1 1 13 4170 1 1 9 PHE HE1 H -1.490 7.404 4.074 1.00 . A A . 9 PHE HE1 1 1 13 4171 1 1 9 PHE HE2 H -5.118 6.114 2.289 1.00 . A A . 9 PHE HE2 1 1 13 4172 1 1 9 PHE HZ H -3.565 7.882 2.900 1.00 . A A . 9 PHE HZ 1 1 13 4173 1 1 9 PHE N N -2.440 1.750 1.940 1.00 . A A . 9 PHE N 1 1 13 4174 1 1 9 PHE O O -0.751 0.472 4.780 1.00 . A A . 9 PHE O 1 1 13 4175 1 1 10 ILE C C 1.422 -1.385 3.170 1.00 . A A . 10 ILE C 1 1 13 4176 1 1 10 ILE CA C -0.078 -1.799 3.205 1.00 . A A . 10 ILE CA 1 1 13 4177 1 1 10 ILE CB C -0.297 -3.077 2.349 1.00 . A A . 10 ILE CB 1 1 13 4178 1 1 10 ILE CD1 C -2.092 -4.132 0.874 1.00 . A A . 10 ILE CD1 1 1 13 4179 1 1 10 ILE CG1 C -1.769 -3.467 2.216 1.00 . A A . 10 ILE CG1 1 1 13 4180 1 1 10 ILE CG2 C 0.523 -4.317 2.820 1.00 . A A . 10 ILE CG2 1 1 13 4181 1 1 10 ILE H H -1.406 -0.693 1.970 1.00 . A A . 10 ILE H 1 1 13 4182 1 1 10 ILE HA H -0.456 -2.065 4.195 1.00 . A A . 10 ILE HA 1 1 13 4183 1 1 10 ILE HB H 0.038 -2.815 1.354 1.00 . A A . 10 ILE HB 1 1 13 4184 1 1 10 ILE HD11 H -1.536 -5.075 0.743 1.00 . A A . 10 ILE HD11 1 1 13 4185 1 1 10 ILE HD12 H -3.164 -4.347 0.788 1.00 . A A . 10 ILE HD12 1 1 13 4186 1 1 10 ILE HD13 H -1.825 -3.465 0.031 1.00 . A A . 10 ILE HD13 1 1 13 4187 1 1 10 ILE HG12 H -2.036 -4.098 3.062 1.00 . A A . 10 ILE HG12 1 1 13 4188 1 1 10 ILE HG13 H -2.395 -2.573 2.329 1.00 . A A . 10 ILE HG13 1 1 13 4189 1 1 10 ILE HG21 H 0.365 -5.194 2.164 1.00 . A A . 10 ILE HG21 1 1 13 4190 1 1 10 ILE HG22 H 0.250 -4.623 3.846 1.00 . A A . 10 ILE HG22 1 1 13 4191 1 1 10 ILE HG23 H 1.612 -4.130 2.818 1.00 . A A . 10 ILE HG23 1 1 13 4192 1 1 10 ILE N N -0.741 -0.525 2.732 1.00 . A A . 10 ILE N 1 1 13 4193 1 1 10 ILE O O 2.199 -1.670 2.254 1.00 . A A . 10 ILE O 1 1 13 4194 1 1 11 ASN C C 3.615 0.822 3.258 1.00 . A A . 11 ASN C 1 1 13 4195 1 1 11 ASN CA C 3.096 -0.068 4.476 1.00 . A A . 11 ASN CA 1 1 13 4196 1 1 11 ASN CB C 3.984 -1.212 4.999 1.00 . A A . 11 ASN CB 1 1 13 4197 1 1 11 ASN CG C 5.331 -0.821 5.639 1.00 . A A . 11 ASN CG 1 1 13 4198 1 1 11 ASN H H 0.879 -0.561 4.759 1.00 . A A . 11 ASN H 1 1 13 4199 1 1 11 ASN HA H 3.025 0.580 5.365 1.00 . A A . 11 ASN HA 1 1 13 4200 1 1 11 ASN HB2 H 3.384 -1.799 5.725 1.00 . A A . 11 ASN HB2 1 1 13 4201 1 1 11 ASN HB3 H 4.150 -1.887 4.161 1.00 . A A . 11 ASN HB3 1 1 13 4202 1 1 11 ASN HD21 H 6.238 -0.261 7.340 1.00 . A A . 11 ASN HD21 1 1 13 4203 1 1 11 ASN HD22 H 4.429 -0.567 7.406 1.00 . A A . 11 ASN HD22 1 1 13 4204 1 1 11 ASN N N 1.753 -0.646 4.221 1.00 . A A . 11 ASN N 1 1 13 4205 1 1 11 ASN ND2 N 5.334 -0.513 6.927 1.00 . A A . 11 ASN ND2 1 1 13 4206 1 1 11 ASN O O 4.828 0.854 3.031 1.00 . A A . 11 ASN O 1 1 13 4207 1 1 11 ASN OD1 O 6.376 -0.799 4.990 1.00 . A A . 11 ASN OD1 1 1 13 4208 1 1 12 ASN C C 3.416 1.543 0.069 1.00 . A A . 12 ASN C 1 1 13 4209 1 1 12 ASN CA C 3.091 2.402 1.327 1.00 . A A . 12 ASN CA 1 1 13 4210 1 1 12 ASN CB C 4.053 3.536 1.717 1.00 . A A . 12 ASN CB 1 1 13 4211 1 1 12 ASN CG C 4.425 4.544 0.622 1.00 . A A . 12 ASN CG 1 1 13 4212 1 1 12 ASN H H 1.751 1.233 2.400 1.00 . A A . 12 ASN H 1 1 13 4213 1 1 12 ASN HA H 2.186 2.972 1.091 1.00 . A A . 12 ASN HA 1 1 13 4214 1 1 12 ASN HB2 H 3.645 4.055 2.610 1.00 . A A . 12 ASN HB2 1 1 13 4215 1 1 12 ASN HB3 H 4.947 3.095 2.094 1.00 . A A . 12 ASN HB3 1 1 13 4216 1 1 12 ASN HD21 H 4.044 6.474 0.180 1.00 . A A . 12 ASN HD21 1 1 13 4217 1 1 12 ASN HD22 H 3.240 5.588 1.607 1.00 . A A . 12 ASN HD22 1 1 13 4218 1 1 12 ASN N N 2.729 1.544 2.482 1.00 . A A . 12 ASN N 1 1 13 4219 1 1 12 ASN ND2 N 3.746 5.655 0.718 1.00 . A A . 12 ASN ND2 1 1 13 4220 1 1 12 ASN O O 4.557 1.478 -0.389 1.00 . A A . 12 ASN O 1 1 13 4221 1 1 12 ASN OD1 O 5.285 4.350 -0.235 1.00 . A A . 12 ASN OD1 1 1 13 4222 1 1 13 LYS C C 3.201 -1.240 -1.543 1.00 . A A . 13 LYS C 1 1 13 4223 1 1 13 LYS CA C 2.391 0.072 -1.711 1.00 . A A . 13 LYS CA 1 1 13 4224 1 1 13 LYS CB C 2.725 0.890 -2.993 1.00 . A A . 13 LYS CB 1 1 13 4225 1 1 13 LYS CD C 0.313 1.816 -3.561 1.00 . A A . 13 LYS CD 1 1 13 4226 1 1 13 LYS CE C 0.016 0.958 -4.805 1.00 . A A . 13 LYS CE 1 1 13 4227 1 1 13 LYS CG C 1.811 2.100 -3.311 1.00 . A A . 13 LYS CG 1 1 13 4228 1 1 13 LYS H H 1.490 1.004 0.049 1.00 . A A . 13 LYS H 1 1 13 4229 1 1 13 LYS HA H 1.361 -0.269 -1.837 1.00 . A A . 13 LYS HA 1 1 13 4230 1 1 13 LYS HB2 H 3.766 1.252 -2.921 1.00 . A A . 13 LYS HB2 1 1 13 4231 1 1 13 LYS HB3 H 2.718 0.206 -3.861 1.00 . A A . 13 LYS HB3 1 1 13 4232 1 1 13 LYS HD2 H -0.131 1.351 -2.659 1.00 . A A . 13 LYS HD2 1 1 13 4233 1 1 13 LYS HD3 H -0.201 2.790 -3.661 1.00 . A A . 13 LYS HD3 1 1 13 4234 1 1 13 LYS HE2 H 0.447 1.427 -5.709 1.00 . A A . 13 LYS HE2 1 1 13 4235 1 1 13 LYS HE3 H 0.491 -0.036 -4.715 1.00 . A A . 13 LYS HE3 1 1 13 4236 1 1 13 LYS HG2 H 1.890 2.829 -2.481 1.00 . A A . 13 LYS HG2 1 1 13 4237 1 1 13 LYS HG3 H 2.225 2.632 -4.187 1.00 . A A . 13 LYS HG3 1 1 13 4238 1 1 13 LYS HZ1 H -1.886 1.669 -5.124 1.00 . A A . 13 LYS HZ1 1 1 13 4239 1 1 13 LYS HZ2 H -1.604 0.173 -5.817 1.00 . A A . 13 LYS HZ2 1 1 13 4240 1 1 13 LYS HZ3 H -1.836 0.276 -4.201 1.00 . A A . 13 LYS HZ3 1 1 13 4241 1 1 13 LYS N N 2.357 0.914 -0.483 1.00 . A A . 13 LYS N 1 1 13 4242 1 1 13 LYS NZ N -1.432 0.775 -5.002 1.00 . A A . 13 LYS NZ 1 1 13 4243 1 1 13 LYS O O 4.249 -1.432 -2.165 1.00 . A A . 13 LYS O 1 1 13 4244 1 1 14 HIS C C 4.731 -3.340 0.096 1.00 . A A . 14 HIS C 1 1 13 4245 1 1 14 HIS CA C 3.251 -3.486 -0.375 1.00 . A A . 14 HIS CA 1 1 13 4246 1 1 14 HIS CB C 3.004 -4.524 -1.503 1.00 . A A . 14 HIS CB 1 1 13 4247 1 1 14 HIS CD2 C 4.010 -6.931 -1.579 1.00 . A A . 14 HIS CD2 1 1 13 4248 1 1 14 HIS CE1 C 3.125 -7.698 0.169 1.00 . A A . 14 HIS CE1 1 1 13 4249 1 1 14 HIS CG C 3.185 -5.952 -0.997 1.00 . A A . 14 HIS CG 1 1 13 4250 1 1 14 HIS H H 1.817 -1.805 -0.219 1.00 . A A . 14 HIS H 1 1 13 4251 1 1 14 HIS HA H 2.687 -3.859 0.494 1.00 . A A . 14 HIS HA 1 1 13 4252 1 1 14 HIS HB2 H 1.975 -4.429 -1.897 1.00 . A A . 14 HIS HB2 1 1 13 4253 1 1 14 HIS HB3 H 3.666 -4.319 -2.367 1.00 . A A . 14 HIS HB3 1 1 13 4254 1 1 14 HIS HD2 H 4.601 -6.797 -2.473 1.00 . A A . 14 HIS HD2 1 1 13 4255 1 1 14 HIS HE1 H 2.875 -8.384 0.965 1.00 . A A . 14 HIS HE1 1 1 13 4256 1 1 14 HIS HE2 H 4.473 -8.977 -0.962 1.00 . A A . 14 HIS HE2 1 1 13 4257 1 1 14 HIS N N 2.653 -2.154 -0.706 1.00 . A A . 14 HIS N 1 1 13 4258 1 1 14 HIS ND1 N 2.588 -6.433 0.164 1.00 . A A . 14 HIS ND1 1 1 13 4259 1 1 14 HIS NE2 N 3.979 -8.088 -0.826 1.00 . A A . 14 HIS NE2 1 1 13 4260 1 1 14 HIS O O 5.651 -3.893 -0.516 1.00 . A A . 14 HIS O 1 1 13 4261 1 1 15 LEU C C 7.213 -1.584 0.741 1.00 . A A . 15 LEU C 1 1 13 4262 1 1 15 LEU CA C 6.276 -2.297 1.787 1.00 . A A . 15 LEU CA 1 1 13 4263 1 1 15 LEU CB C 6.921 -3.553 2.467 1.00 . A A . 15 LEU CB 1 1 13 4264 1 1 15 LEU CD1 C 5.006 -5.195 3.142 1.00 . A A . 15 LEU CD1 1 1 13 4265 1 1 15 LEU CD2 C 7.210 -5.246 4.325 1.00 . A A . 15 LEU CD2 1 1 13 4266 1 1 15 LEU CG C 6.186 -4.299 3.634 1.00 . A A . 15 LEU CG 1 1 13 4267 1 1 15 LEU H H 4.089 -2.206 1.641 1.00 . A A . 15 LEU H 1 1 13 4268 1 1 15 LEU HA H 6.118 -1.534 2.562 1.00 . A A . 15 LEU HA 1 1 13 4269 1 1 15 LEU HB2 H 7.190 -4.283 1.677 1.00 . A A . 15 LEU HB2 1 1 13 4270 1 1 15 LEU HB3 H 7.901 -3.212 2.851 1.00 . A A . 15 LEU HB3 1 1 13 4271 1 1 15 LEU HD11 H 4.149 -4.618 2.749 1.00 . A A . 15 LEU HD11 1 1 13 4272 1 1 15 LEU HD12 H 4.585 -5.835 3.942 1.00 . A A . 15 LEU HD12 1 1 13 4273 1 1 15 LEU HD13 H 5.305 -5.887 2.328 1.00 . A A . 15 LEU HD13 1 1 13 4274 1 1 15 LEU HD21 H 7.630 -6.003 3.629 1.00 . A A . 15 LEU HD21 1 1 13 4275 1 1 15 LEU HD22 H 6.774 -5.818 5.166 1.00 . A A . 15 LEU HD22 1 1 13 4276 1 1 15 LEU HD23 H 8.080 -4.704 4.738 1.00 . A A . 15 LEU HD23 1 1 13 4277 1 1 15 LEU HG H 5.813 -3.538 4.384 1.00 . A A . 15 LEU HG 1 1 13 4278 1 1 15 LEU N N 4.937 -2.576 1.198 1.00 . A A . 15 LEU N 1 1 13 4279 1 1 15 LEU O O 8.420 -1.844 0.711 1.00 . A A . 15 LEU O 1 1 13 4280 1 1 16 ASN C C 8.126 -0.907 -2.133 1.00 . A A . 16 ASN C 1 1 13 4281 1 1 16 ASN CA C 7.410 0.085 -1.158 1.00 . A A . 16 ASN CA 1 1 13 4282 1 1 16 ASN CB C 8.209 1.226 -0.513 1.00 . A A . 16 ASN CB 1 1 13 4283 1 1 16 ASN CG C 8.868 2.217 -1.479 1.00 . A A . 16 ASN CG 1 1 13 4284 1 1 16 ASN H H 5.660 -0.456 0.019 1.00 . A A . 16 ASN H 1 1 13 4285 1 1 16 ASN HA H 6.673 0.641 -1.745 1.00 . A A . 16 ASN HA 1 1 13 4286 1 1 16 ASN HB2 H 7.528 1.744 0.199 1.00 . A A . 16 ASN HB2 1 1 13 4287 1 1 16 ASN HB3 H 8.973 0.831 0.127 1.00 . A A . 16 ASN HB3 1 1 13 4288 1 1 16 ASN HD21 H 8.623 4.137 -2.052 1.00 . A A . 16 ASN HD21 1 1 13 4289 1 1 16 ASN HD22 H 7.449 3.274 -0.890 1.00 . A A . 16 ASN HD22 1 1 13 4290 1 1 16 ASN N N 6.663 -0.658 -0.105 1.00 . A A . 16 ASN N 1 1 13 4291 1 1 16 ASN ND2 N 8.193 3.327 -1.593 1.00 . A A . 16 ASN ND2 1 1 13 4292 1 1 16 ASN O O 9.356 -0.944 -2.222 1.00 . A A . 16 ASN O 1 1 13 4293 1 1 16 ASN OD1 O 9.930 2.008 -2.065 1.00 . A A . 16 ASN OD1 1 1 13 4294 1 1 17 GLU C C 8.794 -3.775 -3.211 1.00 . A A . 17 GLU C 1 1 13 4295 1 1 17 GLU CA C 7.727 -2.784 -3.768 1.00 . A A . 17 GLU CA 1 1 13 4296 1 1 17 GLU CB C 7.983 -2.168 -5.146 1.00 . A A . 17 GLU CB 1 1 13 4297 1 1 17 GLU CD C 7.008 -0.879 -7.147 1.00 . A A . 17 GLU CD 1 1 13 4298 1 1 17 GLU CG C 6.763 -1.440 -5.745 1.00 . A A . 17 GLU CG 1 1 13 4299 1 1 17 GLU H H 6.342 -1.452 -2.961 1.00 . A A . 17 GLU H 1 1 13 4300 1 1 17 GLU HA H 6.819 -3.359 -3.962 1.00 . A A . 17 GLU HA 1 1 13 4301 1 1 17 GLU HB2 H 8.861 -1.516 -5.089 1.00 . A A . 17 GLU HB2 1 1 13 4302 1 1 17 GLU HB3 H 8.233 -2.996 -5.805 1.00 . A A . 17 GLU HB3 1 1 13 4303 1 1 17 GLU HE2 H 7.717 0.723 -7.995 1.00 . A A . 17 GLU HE2 1 1 13 4304 1 1 17 GLU HG2 H 5.894 -2.121 -5.748 1.00 . A A . 17 GLU HG2 1 1 13 4305 1 1 17 GLU HG3 H 6.454 -0.641 -5.055 1.00 . A A . 17 GLU HG3 1 1 13 4306 1 1 17 GLU N N 7.306 -1.753 -2.804 1.00 . A A . 17 GLU N 1 1 13 4307 1 1 17 GLU O O 9.931 -3.820 -3.692 1.00 . A A . 17 GLU O 1 1 13 4308 1 1 17 GLU OE1 O 6.731 -1.490 -8.178 1.00 . A A . 17 GLU OE1 1 1 13 4309 1 1 17 GLU OE2 O 7.566 0.373 -7.113 1.00 . A A . 17 GLU OE2 1 1 13 4310 1 1 18 HIS C C 10.559 -4.957 -0.892 1.00 . A A . 18 HIS C 1 1 13 4311 1 1 18 HIS CA C 9.238 -5.556 -1.470 1.00 . A A . 18 HIS CA 1 1 13 4312 1 1 18 HIS CB C 9.377 -6.804 -2.373 1.00 . A A . 18 HIS CB 1 1 13 4313 1 1 18 HIS CD2 C 10.097 -9.261 -2.365 1.00 . A A . 18 HIS CD2 1 1 13 4314 1 1 18 HIS CE1 C 10.488 -9.535 -0.320 1.00 . A A . 18 HIS CE1 1 1 13 4315 1 1 18 HIS CG C 9.883 -8.060 -1.681 1.00 . A A . 18 HIS CG 1 1 13 4316 1 1 18 HIS H H 7.397 -4.501 -1.959 1.00 . A A . 18 HIS H 1 1 13 4317 1 1 18 HIS HA H 8.637 -5.901 -0.608 1.00 . A A . 18 HIS HA 1 1 13 4318 1 1 18 HIS HB2 H 8.388 -7.052 -2.806 1.00 . A A . 18 HIS HB2 1 1 13 4319 1 1 18 HIS HB3 H 10.009 -6.565 -3.244 1.00 . A A . 18 HIS HB3 1 1 13 4320 1 1 18 HIS HD2 H 9.921 -9.384 -3.423 1.00 . A A . 18 HIS HD2 1 1 13 4321 1 1 18 HIS HE1 H 10.752 -10.019 0.610 1.00 . A A . 18 HIS HE1 1 1 13 4322 1 1 18 HIS HE2 H 10.719 -11.236 -1.659 1.00 . A A . 18 HIS HE2 1 1 13 4323 1 1 18 HIS N N 8.397 -4.544 -2.166 1.00 . A A . 18 HIS N 1 1 13 4324 1 1 18 HIS ND1 N 10.122 -8.209 -0.320 1.00 . A A . 18 HIS ND1 1 1 13 4325 1 1 18 HIS NE2 N 10.504 -10.248 -1.490 1.00 . A A . 18 HIS NE2 1 1 13 4326 1 1 18 HIS O O 11.634 -5.099 -1.485 1.00 . A A . 18 HIS O 1 1 13 4327 1 1 19 ALA C C 11.170 -3.401 2.437 1.00 . A A . 19 ALA C 1 1 13 4328 1 1 19 ALA CA C 11.579 -3.633 0.957 1.00 . A A . 19 ALA CA 1 1 13 4329 1 1 19 ALA CB C 12.020 -2.324 0.262 1.00 . A A . 19 ALA CB 1 1 13 4330 1 1 19 ALA H H 9.528 -4.327 0.712 1.00 . A A . 19 ALA H 1 1 13 4331 1 1 19 ALA HA H 12.425 -4.339 0.922 1.00 . A A . 19 ALA HA 1 1 13 4332 1 1 19 ALA HB1 H 11.204 -1.576 0.219 1.00 . A A . 19 ALA HB1 1 1 13 4333 1 1 19 ALA HB2 H 12.870 -1.853 0.790 1.00 . A A . 19 ALA HB2 1 1 13 4334 1 1 19 ALA HB3 H 12.352 -2.502 -0.777 1.00 . A A . 19 ALA HB3 1 1 13 4335 1 1 19 ALA N N 10.441 -4.268 0.260 1.00 . A A . 19 ALA N 1 1 13 4336 1 1 19 ALA O O 10.539 -2.391 2.772 1.00 . A A . 19 ALA O 1 1 13 4337 1 1 20 HIS C C 12.250 -3.368 5.540 1.00 . A A . 20 HIS C 1 1 13 4338 1 1 20 HIS CA C 11.244 -4.279 4.771 1.00 . A A . 20 HIS CA 1 1 13 4339 1 1 20 HIS CB C 11.092 -5.720 5.327 1.00 . A A . 20 HIS CB 1 1 13 4340 1 1 20 HIS CD2 C 10.123 -7.007 7.322 1.00 . A A . 20 HIS CD2 1 1 13 4341 1 1 20 HIS CE1 C 9.163 -5.445 8.346 1.00 . A A . 20 HIS CE1 1 1 13 4342 1 1 20 HIS CG C 10.345 -5.800 6.649 1.00 . A A . 20 HIS CG 1 1 13 4343 1 1 20 HIS H H 11.947 -5.192 2.917 1.00 . A A . 20 HIS H 1 1 13 4344 1 1 20 HIS HXT H 14.062 -3.124 6.221 1.00 . A A . 20 HIS HXT 1 1 13 4345 1 1 20 HIS HA H 10.245 -3.831 4.862 1.00 . A A . 20 HIS HA 1 1 13 4346 1 1 20 HIS HB2 H 10.531 -6.359 4.617 1.00 . A A . 20 HIS HB2 1 1 13 4347 1 1 20 HIS HB3 H 12.077 -6.213 5.429 1.00 . A A . 20 HIS HB3 1 1 13 4348 1 1 20 HIS HD2 H 10.477 -7.964 6.968 1.00 . A A . 20 HIS HD2 1 1 13 4349 1 1 20 HIS HE1 H 8.570 -4.926 9.086 1.00 . A A . 20 HIS HE1 1 1 13 4350 1 1 20 HIS HE2 H 8.992 -7.466 9.138 1.00 . A A . 20 HIS HE2 1 1 13 4351 1 1 20 HIS N N 11.552 -4.343 3.322 1.00 . A A . 20 HIS N 1 1 13 4352 1 1 20 HIS ND1 N 9.715 -4.744 7.299 1.00 . A A . 20 HIS ND1 1 1 13 4353 1 1 20 HIS NE2 N 9.353 -6.797 8.448 1.00 . A A . 20 HIS NE2 1 1 13 4354 1 1 20 HIS O O 11.886 -2.276 5.978 1.00 . A A . 20 HIS O 1 1 13 4355 1 1 20 HIS OXT O 13.577 -3.795 5.734 1.00 . A A . 20 HIS OXT 1 1 14 4356 1 1 1 SER C C -4.713 -6.455 8.129 1.00 . A A . 1 SER C 1 1 14 4357 1 1 1 SER CA C -3.811 -6.168 9.364 1.00 . A A . 1 SER CA 1 1 14 4358 1 1 1 SER CB C -4.171 -4.847 10.079 1.00 . A A . 1 SER CB 1 1 14 4359 1 1 1 SER H1 H -2.230 -6.130 10.185 1.00 . A A . 1 SER H1 1 1 14 4360 1 1 1 SER H2 H -1.693 -6.680 8.981 1.00 . A A . 1 SER H2 1 1 14 4361 1 1 1 SER H3 H -2.156 -4.976 9.338 1.00 . A A . 1 SER H3 1 1 14 4362 1 1 1 SER HA H -3.956 -7.028 10.024 1.00 . A A . 1 SER HA 1 1 14 4363 1 1 1 SER HB2 H -5.171 -4.951 10.456 1.00 . A A . 1 SER HB2 1 1 14 4364 1 1 1 SER HB3 H -3.542 -4.648 10.976 1.00 . A A . 1 SER HB3 1 1 14 4365 1 1 1 SER HG H -4.749 -3.905 8.498 1.00 . A A . 1 SER HG 1 1 14 4366 1 1 1 SER N N -2.368 -5.961 9.198 1.00 . A A . 1 SER N 1 1 14 4367 1 1 1 SER O O -5.944 -6.450 8.226 1.00 . A A . 1 SER O 1 1 14 4368 1 1 1 SER OG O -4.139 -3.710 9.212 1.00 . A A . 1 SER OG 1 1 14 4369 1 1 2 ASP C C -3.977 -8.287 5.006 1.00 . A A . 2 ASP C 1 1 14 4370 1 1 2 ASP CA C -4.697 -7.067 5.702 1.00 . A A . 2 ASP CA 1 1 14 4371 1 1 2 ASP CB C -4.829 -5.761 4.859 1.00 . A A . 2 ASP CB 1 1 14 4372 1 1 2 ASP CG C -6.273 -5.256 4.707 1.00 . A A . 2 ASP CG 1 1 14 4373 1 1 2 ASP H H -3.067 -6.713 7.157 1.00 . A A . 2 ASP H 1 1 14 4374 1 1 2 ASP HA H -5.697 -7.446 5.940 1.00 . A A . 2 ASP HA 1 1 14 4375 1 1 2 ASP HB2 H -4.230 -4.927 5.275 1.00 . A A . 2 ASP HB2 1 1 14 4376 1 1 2 ASP HB3 H -4.375 -5.909 3.873 1.00 . A A . 2 ASP HB3 1 1 14 4377 1 1 2 ASP HD2 H -7.591 -4.236 5.713 1.00 . A A . 2 ASP HD2 1 1 14 4378 1 1 2 ASP N N -4.067 -6.718 6.994 1.00 . A A . 2 ASP N 1 1 14 4379 1 1 2 ASP O O -3.641 -8.277 3.818 1.00 . A A . 2 ASP O 1 1 14 4380 1 1 2 ASP OD1 O -6.969 -5.461 3.715 1.00 . A A . 2 ASP OD1 1 1 14 4381 1 1 2 ASP OD2 O -6.689 -4.552 5.808 1.00 . A A . 2 ASP OD2 1 1 14 4382 1 1 3 THR C C -2.089 -10.922 4.429 1.00 . A A . 3 THR C 1 1 14 4383 1 1 3 THR CA C -3.222 -10.690 5.480 1.00 . A A . 3 THR CA 1 1 14 4384 1 1 3 THR CB C -4.433 -11.677 5.388 1.00 . A A . 3 THR CB 1 1 14 4385 1 1 3 THR CG2 C -5.299 -11.504 4.130 1.00 . A A . 3 THR CG2 1 1 14 4386 1 1 3 THR H H -4.240 -9.232 6.723 1.00 . A A . 3 THR H 1 1 14 4387 1 1 3 THR HA H -2.699 -10.937 6.402 1.00 . A A . 3 THR HA 1 1 14 4388 1 1 3 THR HB H -5.094 -11.532 6.264 1.00 . A A . 3 THR HB 1 1 14 4389 1 1 3 THR HG1 H -3.506 -13.107 6.283 1.00 . A A . 3 THR HG1 1 1 14 4390 1 1 3 THR HG21 H -4.705 -11.635 3.209 1.00 . A A . 3 THR HG21 1 1 14 4391 1 1 3 THR HG22 H -5.743 -10.491 4.096 1.00 . A A . 3 THR HG22 1 1 14 4392 1 1 3 THR HG23 H -6.130 -12.228 4.119 1.00 . A A . 3 THR HG23 1 1 14 4393 1 1 3 THR N N -3.809 -9.360 5.806 1.00 . A A . 3 THR N 1 1 14 4394 1 1 3 THR O O -2.082 -11.964 3.765 1.00 . A A . 3 THR O 1 1 14 4395 1 1 3 THR OG1 O -3.988 -13.029 5.457 1.00 . A A . 3 THR OG1 1 1 14 4396 1 1 4 ARG C C -0.250 -10.547 1.884 1.00 . A A . 4 ARG C 1 1 14 4397 1 1 4 ARG CA C 0.082 -10.170 3.379 1.00 . A A . 4 ARG CA 1 1 14 4398 1 1 4 ARG CB C 1.174 -11.109 3.988 1.00 . A A . 4 ARG CB 1 1 14 4399 1 1 4 ARG CD C 1.183 -11.039 6.608 1.00 . A A . 4 ARG CD 1 1 14 4400 1 1 4 ARG CG C 1.872 -10.605 5.279 1.00 . A A . 4 ARG CG 1 1 14 4401 1 1 4 ARG CZ C 1.655 -10.811 9.059 1.00 . A A . 4 ARG CZ 1 1 14 4402 1 1 4 ARG H H -1.214 -9.167 4.875 1.00 . A A . 4 ARG H 1 1 14 4403 1 1 4 ARG HA H 0.523 -9.148 3.305 1.00 . A A . 4 ARG HA 1 1 14 4404 1 1 4 ARG HB2 H 0.781 -12.136 4.137 1.00 . A A . 4 ARG HB2 1 1 14 4405 1 1 4 ARG HB3 H 1.971 -11.254 3.233 1.00 . A A . 4 ARG HB3 1 1 14 4406 1 1 4 ARG HD2 H 0.133 -10.682 6.675 1.00 . A A . 4 ARG HD2 1 1 14 4407 1 1 4 ARG HD3 H 1.096 -12.145 6.674 1.00 . A A . 4 ARG HD3 1 1 14 4408 1 1 4 ARG HE H 2.723 -9.913 7.592 1.00 . A A . 4 ARG HE 1 1 14 4409 1 1 4 ARG HG2 H 2.917 -10.973 5.259 1.00 . A A . 4 ARG HG2 1 1 14 4410 1 1 4 ARG HG3 H 1.993 -9.501 5.218 1.00 . A A . 4 ARG HG3 1 1 14 4411 1 1 4 ARG HH11 H 2.174 -10.502 10.968 1.00 . A A . 4 ARG HH11 1 1 14 4412 1 1 4 ARG HH12 H 3.169 -9.657 9.680 1.00 . A A . 4 ARG HH12 1 1 14 4413 1 1 4 ARG HH21 H 0.543 -11.747 10.452 1.00 . A A . 4 ARG HH21 1 1 14 4414 1 1 4 ARG HH22 H 0.086 -12.018 8.696 1.00 . A A . 4 ARG HH22 1 1 14 4415 1 1 4 ARG N N -1.081 -10.026 4.331 1.00 . A A . 4 ARG N 1 1 14 4416 1 1 4 ARG NE N 1.939 -10.523 7.774 1.00 . A A . 4 ARG NE 1 1 14 4417 1 1 4 ARG NH1 N 2.409 -10.269 9.998 1.00 . A A . 4 ARG NH1 1 1 14 4418 1 1 4 ARG NH2 N 0.659 -11.609 9.442 1.00 . A A . 4 ARG NH2 1 1 14 4419 1 1 4 ARG O O 0.526 -11.193 1.174 1.00 . A A . 4 ARG O 1 1 14 4420 1 1 5 TYR C C -2.581 -8.803 -0.150 1.00 . A A . 5 TYR C 1 1 14 4421 1 1 5 TYR CA C -2.026 -10.226 0.115 1.00 . A A . 5 TYR CA 1 1 14 4422 1 1 5 TYR CB C -3.016 -11.408 0.025 1.00 . A A . 5 TYR CB 1 1 14 4423 1 1 5 TYR CD1 C -5.012 -11.056 -1.521 1.00 . A A . 5 TYR CD1 1 1 14 4424 1 1 5 TYR CD2 C -3.088 -12.232 -2.387 1.00 . A A . 5 TYR CD2 1 1 14 4425 1 1 5 TYR CE1 C -5.650 -11.191 -2.753 1.00 . A A . 5 TYR CE1 1 1 14 4426 1 1 5 TYR CE2 C -3.728 -12.370 -3.618 1.00 . A A . 5 TYR CE2 1 1 14 4427 1 1 5 TYR CG C -3.726 -11.574 -1.330 1.00 . A A . 5 TYR CG 1 1 14 4428 1 1 5 TYR CZ C -5.008 -11.849 -3.800 1.00 . A A . 5 TYR CZ 1 1 14 4429 1 1 5 TYR H H -1.952 -9.565 2.155 1.00 . A A . 5 TYR H 1 1 14 4430 1 1 5 TYR HA H -1.238 -10.428 -0.585 1.00 . A A . 5 TYR HA 1 1 14 4431 1 1 5 TYR HB2 H -2.493 -12.349 0.282 1.00 . A A . 5 TYR HB2 1 1 14 4432 1 1 5 TYR HB3 H -3.747 -11.274 0.827 1.00 . A A . 5 TYR HB3 1 1 14 4433 1 1 5 TYR HD1 H -5.521 -10.541 -0.719 1.00 . A A . 5 TYR HD1 1 1 14 4434 1 1 5 TYR HD2 H -2.094 -12.638 -2.261 1.00 . A A . 5 TYR HD2 1 1 14 4435 1 1 5 TYR HE1 H -6.641 -10.783 -2.891 1.00 . A A . 5 TYR HE1 1 1 14 4436 1 1 5 TYR HE2 H -3.228 -12.878 -4.429 1.00 . A A . 5 TYR HE2 1 1 14 4437 1 1 5 TYR HH H -6.501 -11.570 -4.964 1.00 . A A . 5 TYR HH 1 1 14 4438 1 1 5 TYR N N -1.431 -10.092 1.454 1.00 . A A . 5 TYR N 1 1 14 4439 1 1 5 TYR O O -2.099 -8.135 -1.070 1.00 . A A . 5 TYR O 1 1 14 4440 1 1 5 TYR OH O -5.636 -11.982 -5.013 1.00 . A A . 5 TYR OH 1 1 14 4441 1 1 6 ASN C C -3.210 -5.888 1.156 1.00 . A A . 6 ASN C 1 1 14 4442 1 1 6 ASN CA C -4.137 -6.985 0.533 1.00 . A A . 6 ASN CA 1 1 14 4443 1 1 6 ASN CB C -5.597 -6.816 1.024 1.00 . A A . 6 ASN CB 1 1 14 4444 1 1 6 ASN CG C -6.641 -7.800 0.460 1.00 . A A . 6 ASN CG 1 1 14 4445 1 1 6 ASN H H -3.862 -8.988 1.388 1.00 . A A . 6 ASN H 1 1 14 4446 1 1 6 ASN HA H -4.175 -6.786 -0.543 1.00 . A A . 6 ASN HA 1 1 14 4447 1 1 6 ASN HB2 H -5.610 -6.854 2.124 1.00 . A A . 6 ASN HB2 1 1 14 4448 1 1 6 ASN HB3 H -5.923 -5.777 0.791 1.00 . A A . 6 ASN HB3 1 1 14 4449 1 1 6 ASN HD21 H -7.853 -8.213 -1.085 1.00 . A A . 6 ASN HD21 1 1 14 4450 1 1 6 ASN HD22 H -6.836 -6.691 -1.201 1.00 . A A . 6 ASN HD22 1 1 14 4451 1 1 6 ASN N N -3.578 -8.345 0.652 1.00 . A A . 6 ASN N 1 1 14 4452 1 1 6 ASN ND2 N -7.163 -7.542 -0.730 1.00 . A A . 6 ASN ND2 1 1 14 4453 1 1 6 ASN O O -3.593 -4.721 1.026 1.00 . A A . 6 ASN O 1 1 14 4454 1 1 6 ASN OD1 O -6.979 -8.803 1.090 1.00 . A A . 6 ASN OD1 1 1 14 4455 1 1 7 LYS C C -0.697 -4.047 1.232 1.00 . A A . 7 LYS C 1 1 14 4456 1 1 7 LYS CA C -1.162 -5.059 2.338 1.00 . A A . 7 LYS CA 1 1 14 4457 1 1 7 LYS CB C 0.063 -5.451 3.195 1.00 . A A . 7 LYS CB 1 1 14 4458 1 1 7 LYS CD C -1.065 -5.549 5.555 1.00 . A A . 7 LYS CD 1 1 14 4459 1 1 7 LYS CE C -0.586 -4.163 6.034 1.00 . A A . 7 LYS CE 1 1 14 4460 1 1 7 LYS CG C -0.185 -6.244 4.495 1.00 . A A . 7 LYS CG 1 1 14 4461 1 1 7 LYS H H -1.999 -7.123 2.220 1.00 . A A . 7 LYS H 1 1 14 4462 1 1 7 LYS HA H -1.810 -4.463 3.010 1.00 . A A . 7 LYS HA 1 1 14 4463 1 1 7 LYS HB2 H 0.788 -5.968 2.558 1.00 . A A . 7 LYS HB2 1 1 14 4464 1 1 7 LYS HB3 H 0.579 -4.511 3.486 1.00 . A A . 7 LYS HB3 1 1 14 4465 1 1 7 LYS HD2 H -2.085 -5.460 5.145 1.00 . A A . 7 LYS HD2 1 1 14 4466 1 1 7 LYS HD3 H -1.159 -6.230 6.420 1.00 . A A . 7 LYS HD3 1 1 14 4467 1 1 7 LYS HE2 H 0.433 -4.229 6.460 1.00 . A A . 7 LYS HE2 1 1 14 4468 1 1 7 LYS HE3 H -0.526 -3.465 5.180 1.00 . A A . 7 LYS HE3 1 1 14 4469 1 1 7 LYS HG2 H -0.642 -7.217 4.242 1.00 . A A . 7 LYS HG2 1 1 14 4470 1 1 7 LYS HG3 H 0.792 -6.495 4.949 1.00 . A A . 7 LYS HG3 1 1 14 4471 1 1 7 LYS HZ1 H -1.554 -4.167 7.846 1.00 . A A . 7 LYS HZ1 1 1 14 4472 1 1 7 LYS HZ2 H -2.425 -3.437 6.621 1.00 . A A . 7 LYS HZ2 1 1 14 4473 1 1 7 LYS HZ3 H -1.168 -2.637 7.294 1.00 . A A . 7 LYS HZ3 1 1 14 4474 1 1 7 LYS N N -2.038 -6.166 1.823 1.00 . A A . 7 LYS N 1 1 14 4475 1 1 7 LYS NZ N -1.495 -3.573 7.031 1.00 . A A . 7 LYS NZ 1 1 14 4476 1 1 7 LYS O O -0.188 -2.995 1.615 1.00 . A A . 7 LYS O 1 1 14 4477 1 1 8 ASP C C -1.332 -2.055 -1.035 1.00 . A A . 8 ASP C 1 1 14 4478 1 1 8 ASP CA C -0.431 -3.337 -1.165 1.00 . A A . 8 ASP CA 1 1 14 4479 1 1 8 ASP CB C -0.409 -3.985 -2.559 1.00 . A A . 8 ASP CB 1 1 14 4480 1 1 8 ASP CG C 0.195 -3.111 -3.669 1.00 . A A . 8 ASP CG 1 1 14 4481 1 1 8 ASP H H -1.124 -5.279 -0.307 1.00 . A A . 8 ASP H 1 1 14 4482 1 1 8 ASP HA H 0.576 -2.984 -0.972 1.00 . A A . 8 ASP HA 1 1 14 4483 1 1 8 ASP HB2 H 0.142 -4.947 -2.532 1.00 . A A . 8 ASP HB2 1 1 14 4484 1 1 8 ASP HB3 H -1.447 -4.228 -2.810 1.00 . A A . 8 ASP HB3 1 1 14 4485 1 1 8 ASP HD2 H 1.914 -3.703 -2.971 1.00 . A A . 8 ASP HD2 1 1 14 4486 1 1 8 ASP N N -0.790 -4.330 -0.098 1.00 . A A . 8 ASP N 1 1 14 4487 1 1 8 ASP O O -0.867 -0.949 -1.322 1.00 . A A . 8 ASP O 1 1 14 4488 1 1 8 ASP OD1 O -0.486 -2.462 -4.463 1.00 . A A . 8 ASP OD1 1 1 14 4489 1 1 8 ASP OD2 O 1.566 -3.139 -3.667 1.00 . A A . 8 ASP OD2 1 1 14 4490 1 1 9 PHE C C -2.993 -0.240 0.837 1.00 . A A . 9 PHE C 1 1 14 4491 1 1 9 PHE CA C -3.564 -1.131 -0.331 1.00 . A A . 9 PHE CA 1 1 14 4492 1 1 9 PHE CB C -4.965 -1.704 -0.027 1.00 . A A . 9 PHE CB 1 1 14 4493 1 1 9 PHE CD1 C -6.566 -1.395 -1.985 1.00 . A A . 9 PHE CD1 1 1 14 4494 1 1 9 PHE CD2 C -5.713 -3.616 -1.556 1.00 . A A . 9 PHE CD2 1 1 14 4495 1 1 9 PHE CE1 C -7.305 -1.890 -3.066 1.00 . A A . 9 PHE CE1 1 1 14 4496 1 1 9 PHE CE2 C -6.454 -4.109 -2.636 1.00 . A A . 9 PHE CE2 1 1 14 4497 1 1 9 PHE CG C -5.765 -2.256 -1.226 1.00 . A A . 9 PHE CG 1 1 14 4498 1 1 9 PHE CZ C -7.245 -3.242 -3.385 1.00 . A A . 9 PHE CZ 1 1 14 4499 1 1 9 PHE H H -2.899 -3.180 -0.409 1.00 . A A . 9 PHE H 1 1 14 4500 1 1 9 PHE HA H -3.677 -0.566 -1.242 1.00 . A A . 9 PHE HA 1 1 14 4501 1 1 9 PHE HB2 H -4.849 -2.471 0.744 1.00 . A A . 9 PHE HB2 1 1 14 4502 1 1 9 PHE HB3 H -5.563 -0.926 0.470 1.00 . A A . 9 PHE HB3 1 1 14 4503 1 1 9 PHE HD1 H -6.600 -0.344 -1.708 1.00 . A A . 9 PHE HD1 1 1 14 4504 1 1 9 PHE HD2 H -5.090 -4.270 -0.957 1.00 . A A . 9 PHE HD2 1 1 14 4505 1 1 9 PHE HE1 H -7.939 -1.258 -3.681 1.00 . A A . 9 PHE HE1 1 1 14 4506 1 1 9 PHE HE2 H -6.443 -5.155 -2.925 1.00 . A A . 9 PHE HE2 1 1 14 4507 1 1 9 PHE HZ H -7.816 -3.624 -4.218 1.00 . A A . 9 PHE HZ 1 1 14 4508 1 1 9 PHE N N -2.607 -2.219 -0.591 1.00 . A A . 9 PHE N 1 1 14 4509 1 1 9 PHE O O -2.946 0.982 0.680 1.00 . A A . 9 PHE O 1 1 14 4510 1 1 10 ILE C C -0.332 -0.288 2.891 1.00 . A A . 10 ILE C 1 1 14 4511 1 1 10 ILE CA C -1.890 -0.165 3.094 1.00 . A A . 10 ILE CA 1 1 14 4512 1 1 10 ILE CB C -2.628 -0.665 4.401 1.00 . A A . 10 ILE CB 1 1 14 4513 1 1 10 ILE CD1 C -4.945 -1.600 5.157 1.00 . A A . 10 ILE CD1 1 1 14 4514 1 1 10 ILE CG1 C -4.180 -0.556 4.335 1.00 . A A . 10 ILE CG1 1 1 14 4515 1 1 10 ILE CG2 C -2.176 0.007 5.731 1.00 . A A . 10 ILE CG2 1 1 14 4516 1 1 10 ILE H H -2.881 -1.750 2.245 1.00 . A A . 10 ILE H 1 1 14 4517 1 1 10 ILE HA H -2.123 0.873 3.055 1.00 . A A . 10 ILE HA 1 1 14 4518 1 1 10 ILE HB H -2.405 -1.721 4.473 1.00 . A A . 10 ILE HB 1 1 14 4519 1 1 10 ILE HD11 H -4.700 -1.553 6.232 1.00 . A A . 10 ILE HD11 1 1 14 4520 1 1 10 ILE HD12 H -4.712 -2.621 4.806 1.00 . A A . 10 ILE HD12 1 1 14 4521 1 1 10 ILE HD13 H -6.037 -1.461 5.055 1.00 . A A . 10 ILE HD13 1 1 14 4522 1 1 10 ILE HG12 H -4.441 0.459 4.633 1.00 . A A . 10 ILE HG12 1 1 14 4523 1 1 10 ILE HG13 H -4.557 -0.641 3.300 1.00 . A A . 10 ILE HG13 1 1 14 4524 1 1 10 ILE HG21 H -2.835 -0.242 6.583 1.00 . A A . 10 ILE HG21 1 1 14 4525 1 1 10 ILE HG22 H -2.160 1.109 5.651 1.00 . A A . 10 ILE HG22 1 1 14 4526 1 1 10 ILE HG23 H -1.173 -0.318 6.058 1.00 . A A . 10 ILE HG23 1 1 14 4527 1 1 10 ILE N N -2.497 -0.854 1.953 1.00 . A A . 10 ILE N 1 1 14 4528 1 1 10 ILE O O 0.212 -0.370 1.776 1.00 . A A . 10 ILE O 1 1 14 4529 1 1 11 ASN C C 2.768 0.496 3.193 1.00 . A A . 11 ASN C 1 1 14 4530 1 1 11 ASN CA C 1.848 -0.337 4.179 1.00 . A A . 11 ASN CA 1 1 14 4531 1 1 11 ASN CB C 2.229 -1.842 4.233 1.00 . A A . 11 ASN CB 1 1 14 4532 1 1 11 ASN CG C 3.442 -2.172 5.125 1.00 . A A . 11 ASN CG 1 1 14 4533 1 1 11 ASN H H -0.320 -0.543 4.733 1.00 . A A . 11 ASN H 1 1 14 4534 1 1 11 ASN HA H 2.068 0.008 5.203 1.00 . A A . 11 ASN HA 1 1 14 4535 1 1 11 ASN HB2 H 1.382 -2.477 4.557 1.00 . A A . 11 ASN HB2 1 1 14 4536 1 1 11 ASN HB3 H 2.425 -2.164 3.209 1.00 . A A . 11 ASN HB3 1 1 14 4537 1 1 11 ASN HD21 H 4.030 -2.656 6.981 1.00 . A A . 11 ASN HD21 1 1 14 4538 1 1 11 ASN HD22 H 2.235 -2.383 6.700 1.00 . A A . 11 ASN HD22 1 1 14 4539 1 1 11 ASN N N 0.360 -0.246 4.026 1.00 . A A . 11 ASN N 1 1 14 4540 1 1 11 ASN ND2 N 3.209 -2.472 6.392 1.00 . A A . 11 ASN ND2 1 1 14 4541 1 1 11 ASN O O 3.975 0.239 3.141 1.00 . A A . 11 ASN O 1 1 14 4542 1 1 11 ASN OD1 O 4.589 -2.127 4.691 1.00 . A A . 11 ASN OD1 1 1 14 4543 1 1 12 ASN C C 3.420 1.466 0.285 1.00 . A A . 12 ASN C 1 1 14 4544 1 1 12 ASN CA C 2.994 2.360 1.488 1.00 . A A . 12 ASN CA 1 1 14 4545 1 1 12 ASN CB C 4.029 3.253 2.190 1.00 . A A . 12 ASN CB 1 1 14 4546 1 1 12 ASN CG C 4.871 4.177 1.303 1.00 . A A . 12 ASN CG 1 1 14 4547 1 1 12 ASN H H 1.234 1.477 2.314 1.00 . A A . 12 ASN H 1 1 14 4548 1 1 12 ASN HA H 2.293 3.093 1.092 1.00 . A A . 12 ASN HA 1 1 14 4549 1 1 12 ASN HB2 H 3.518 3.831 2.990 1.00 . A A . 12 ASN HB2 1 1 14 4550 1 1 12 ASN HB3 H 4.687 2.626 2.749 1.00 . A A . 12 ASN HB3 1 1 14 4551 1 1 12 ASN HD21 H 5.001 6.150 0.907 1.00 . A A . 12 ASN HD21 1 1 14 4552 1 1 12 ASN HD22 H 3.684 5.423 2.005 1.00 . A A . 12 ASN HD22 1 1 14 4553 1 1 12 ASN N N 2.243 1.517 2.457 1.00 . A A . 12 ASN N 1 1 14 4554 1 1 12 ASN ND2 N 4.413 5.400 1.285 1.00 . A A . 12 ASN ND2 1 1 14 4555 1 1 12 ASN O O 4.610 1.286 0.034 1.00 . A A . 12 ASN O 1 1 14 4556 1 1 12 ASN OD1 O 5.886 3.827 0.702 1.00 . A A . 12 ASN OD1 1 1 14 4557 1 1 13 LYS C C 3.305 -1.332 -1.261 1.00 . A A . 13 LYS C 1 1 14 4558 1 1 13 LYS CA C 2.624 0.024 -1.623 1.00 . A A . 13 LYS CA 1 1 14 4559 1 1 13 LYS CB C 3.247 0.765 -2.848 1.00 . A A . 13 LYS CB 1 1 14 4560 1 1 13 LYS CD C 1.036 1.586 -4.023 1.00 . A A . 13 LYS CD 1 1 14 4561 1 1 13 LYS CE C 0.988 0.578 -5.192 1.00 . A A . 13 LYS CE 1 1 14 4562 1 1 13 LYS CG C 2.433 1.934 -3.453 1.00 . A A . 13 LYS CG 1 1 14 4563 1 1 13 LYS H H 1.472 1.154 -0.150 1.00 . A A . 13 LYS H 1 1 14 4564 1 1 13 LYS HA H 1.625 -0.287 -1.927 1.00 . A A . 13 LYS HA 1 1 14 4565 1 1 13 LYS HB2 H 4.249 1.141 -2.575 1.00 . A A . 13 LYS HB2 1 1 14 4566 1 1 13 LYS HB3 H 3.436 0.034 -3.657 1.00 . A A . 13 LYS HB3 1 1 14 4567 1 1 13 LYS HD2 H 0.402 1.201 -3.202 1.00 . A A . 13 LYS HD2 1 1 14 4568 1 1 13 LYS HD3 H 0.537 2.525 -4.331 1.00 . A A . 13 LYS HD3 1 1 14 4569 1 1 13 LYS HE2 H 1.455 -0.380 -4.899 1.00 . A A . 13 LYS HE2 1 1 14 4570 1 1 13 LYS HE3 H -0.066 0.334 -5.416 1.00 . A A . 13 LYS HE3 1 1 14 4571 1 1 13 LYS HG2 H 2.314 2.723 -2.687 1.00 . A A . 13 LYS HG2 1 1 14 4572 1 1 13 LYS HG3 H 3.036 2.410 -4.248 1.00 . A A . 13 LYS HG3 1 1 14 4573 1 1 13 LYS HZ1 H 1.174 1.924 -6.737 1.00 . A A . 13 LYS HZ1 1 1 14 4574 1 1 13 LYS HZ2 H 2.624 1.241 -6.266 1.00 . A A . 13 LYS HZ2 1 1 14 4575 1 1 13 LYS HZ3 H 1.579 0.358 -7.159 1.00 . A A . 13 LYS HZ3 1 1 14 4576 1 1 13 LYS N N 2.422 0.915 -0.450 1.00 . A A . 13 LYS N 1 1 14 4577 1 1 13 LYS NZ N 1.624 1.075 -6.427 1.00 . A A . 13 LYS NZ 1 1 14 4578 1 1 13 LYS O O 4.161 -1.802 -2.014 1.00 . A A . 13 LYS O 1 1 14 4579 1 1 14 HIS C C 5.029 -3.141 0.514 1.00 . A A . 14 HIS C 1 1 14 4580 1 1 14 HIS CA C 3.488 -3.315 0.296 1.00 . A A . 14 HIS CA 1 1 14 4581 1 1 14 HIS CB C 3.112 -4.498 -0.647 1.00 . A A . 14 HIS CB 1 1 14 4582 1 1 14 HIS CD2 C 3.552 -6.253 1.223 1.00 . A A . 14 HIS CD2 1 1 14 4583 1 1 14 HIS CE1 C 2.079 -7.661 0.691 1.00 . A A . 14 HIS CE1 1 1 14 4584 1 1 14 HIS CG C 2.846 -5.796 0.099 1.00 . A A . 14 HIS CG 1 1 14 4585 1 1 14 HIS H H 2.139 -1.527 0.392 1.00 . A A . 14 HIS H 1 1 14 4586 1 1 14 HIS HA H 3.039 -3.542 1.274 1.00 . A A . 14 HIS HA 1 1 14 4587 1 1 14 HIS HB2 H 2.223 -4.261 -1.249 1.00 . A A . 14 HIS HB2 1 1 14 4588 1 1 14 HIS HB3 H 3.888 -4.666 -1.416 1.00 . A A . 14 HIS HB3 1 1 14 4589 1 1 14 HIS HD2 H 4.366 -5.731 1.704 1.00 . A A . 14 HIS HD2 1 1 14 4590 1 1 14 HIS HE1 H 1.478 -8.557 0.704 1.00 . A A . 14 HIS HE1 1 1 14 4591 1 1 14 HIS HE2 H 3.354 -8.085 2.403 1.00 . A A . 14 HIS HE2 1 1 14 4592 1 1 14 HIS N N 2.890 -2.004 -0.146 1.00 . A A . 14 HIS N 1 1 14 4593 1 1 14 HIS ND1 N 1.868 -6.713 -0.277 1.00 . A A . 14 HIS ND1 1 1 14 4594 1 1 14 HIS NE2 N 3.063 -7.481 1.627 1.00 . A A . 14 HIS NE2 1 1 14 4595 1 1 14 HIS O O 5.842 -3.766 -0.177 1.00 . A A . 14 HIS O 1 1 14 4596 1 1 15 LEU C C 7.574 -1.317 0.528 1.00 . A A . 15 LEU C 1 1 14 4597 1 1 15 LEU CA C 6.853 -1.961 1.779 1.00 . A A . 15 LEU CA 1 1 14 4598 1 1 15 LEU CB C 7.645 -3.162 2.395 1.00 . A A . 15 LEU CB 1 1 14 4599 1 1 15 LEU CD1 C 5.988 -4.812 3.537 1.00 . A A . 15 LEU CD1 1 1 14 4600 1 1 15 LEU CD2 C 8.362 -4.675 4.289 1.00 . A A . 15 LEU CD2 1 1 14 4601 1 1 15 LEU CG C 7.182 -3.828 3.734 1.00 . A A . 15 LEU CG 1 1 14 4602 1 1 15 LEU H H 4.680 -1.854 2.041 1.00 . A A . 15 LEU H 1 1 14 4603 1 1 15 LEU HA H 6.840 -1.143 2.517 1.00 . A A . 15 LEU HA 1 1 14 4604 1 1 15 LEU HB2 H 7.765 -3.943 1.618 1.00 . A A . 15 LEU HB2 1 1 14 4605 1 1 15 LEU HB3 H 8.674 -2.786 2.550 1.00 . A A . 15 LEU HB3 1 1 14 4606 1 1 15 LEU HD11 H 5.057 -4.318 3.209 1.00 . A A . 15 LEU HD11 1 1 14 4607 1 1 15 LEU HD12 H 5.724 -5.360 4.461 1.00 . A A . 15 LEU HD12 1 1 14 4608 1 1 15 LEU HD13 H 6.200 -5.592 2.774 1.00 . A A . 15 LEU HD13 1 1 14 4609 1 1 15 LEU HD21 H 8.676 -5.474 3.586 1.00 . A A . 15 LEU HD21 1 1 14 4610 1 1 15 LEU HD22 H 9.267 -4.069 4.484 1.00 . A A . 15 LEU HD22 1 1 14 4611 1 1 15 LEU HD23 H 8.114 -5.185 5.239 1.00 . A A . 15 LEU HD23 1 1 14 4612 1 1 15 LEU HG H 6.916 -3.019 4.478 1.00 . A A . 15 LEU HG 1 1 14 4613 1 1 15 LEU N N 5.424 -2.264 1.469 1.00 . A A . 15 LEU N 1 1 14 4614 1 1 15 LEU O O 8.760 -1.573 0.293 1.00 . A A . 15 LEU O 1 1 14 4615 1 1 16 ASN C C 7.933 -0.806 -2.519 1.00 . A A . 16 ASN C 1 1 14 4616 1 1 16 ASN CA C 7.381 0.222 -1.480 1.00 . A A . 16 ASN CA 1 1 14 4617 1 1 16 ASN CB C 8.246 1.420 -1.069 1.00 . A A . 16 ASN CB 1 1 14 4618 1 1 16 ASN CG C 8.620 2.393 -2.193 1.00 . A A . 16 ASN CG 1 1 14 4619 1 1 16 ASN H H 5.893 -0.260 0.018 1.00 . A A . 16 ASN H 1 1 14 4620 1 1 16 ASN HA H 6.525 0.725 -1.945 1.00 . A A . 16 ASN HA 1 1 14 4621 1 1 16 ASN HB2 H 7.718 1.945 -0.242 1.00 . A A . 16 ASN HB2 1 1 14 4622 1 1 16 ASN HB3 H 9.146 1.081 -0.595 1.00 . A A . 16 ASN HB3 1 1 14 4623 1 1 16 ASN HD21 H 8.158 4.277 -2.759 1.00 . A A . 16 ASN HD21 1 1 14 4624 1 1 16 ASN HD22 H 7.324 3.418 -1.328 1.00 . A A . 16 ASN HD22 1 1 14 4625 1 1 16 ASN N N 6.864 -0.460 -0.264 1.00 . A A . 16 ASN N 1 1 14 4626 1 1 16 ASN ND2 N 7.886 3.471 -2.184 1.00 . A A . 16 ASN ND2 1 1 14 4627 1 1 16 ASN O O 9.127 -0.826 -2.833 1.00 . A A . 16 ASN O 1 1 14 4628 1 1 16 ASN OD1 O 9.524 2.200 -3.006 1.00 . A A . 16 ASN OD1 1 1 14 4629 1 1 17 GLU C C 8.491 -3.690 -3.619 1.00 . A A . 17 GLU C 1 1 14 4630 1 1 17 GLU CA C 7.279 -2.770 -3.960 1.00 . A A . 17 GLU CA 1 1 14 4631 1 1 17 GLU CB C 7.175 -2.220 -5.387 1.00 . A A . 17 GLU CB 1 1 14 4632 1 1 17 GLU CD C 5.683 -1.092 -7.160 1.00 . A A . 17 GLU CD 1 1 14 4633 1 1 17 GLU CG C 5.804 -1.590 -5.721 1.00 . A A . 17 GLU CG 1 1 14 4634 1 1 17 GLU H H 6.036 -1.438 -2.936 1.00 . A A . 17 GLU H 1 1 14 4635 1 1 17 GLU HA H 6.385 -3.394 -3.915 1.00 . A A . 17 GLU HA 1 1 14 4636 1 1 17 GLU HB2 H 7.999 -1.521 -5.561 1.00 . A A . 17 GLU HB2 1 1 14 4637 1 1 17 GLU HB3 H 7.320 -3.069 -6.052 1.00 . A A . 17 GLU HB3 1 1 14 4638 1 1 17 GLU HE2 H 6.463 0.556 -6.476 1.00 . A A . 17 GLU HE2 1 1 14 4639 1 1 17 GLU HG2 H 5.002 -2.315 -5.495 1.00 . A A . 17 GLU HG2 1 1 14 4640 1 1 17 GLU HG3 H 5.609 -0.773 -5.011 1.00 . A A . 17 GLU HG3 1 1 14 4641 1 1 17 GLU N N 7.025 -1.695 -2.985 1.00 . A A . 17 GLU N 1 1 14 4642 1 1 17 GLU O O 9.470 -3.765 -4.369 1.00 . A A . 17 GLU O 1 1 14 4643 1 1 17 GLU OE1 O 5.223 -1.773 -8.076 1.00 . A A . 17 GLU OE1 1 1 14 4644 1 1 17 GLU OE2 O 6.144 0.192 -7.305 1.00 . A A . 17 GLU OE2 1 1 14 4645 1 1 18 HIS C C 10.864 -4.706 -1.821 1.00 . A A . 18 HIS C 1 1 14 4646 1 1 18 HIS CA C 9.419 -5.305 -1.904 1.00 . A A . 18 HIS CA 1 1 14 4647 1 1 18 HIS CB C 9.277 -6.666 -2.631 1.00 . A A . 18 HIS CB 1 1 14 4648 1 1 18 HIS CD2 C 9.956 -9.133 -2.497 1.00 . A A . 18 HIS CD2 1 1 14 4649 1 1 18 HIS CE1 C 10.876 -9.170 -0.608 1.00 . A A . 18 HIS CE1 1 1 14 4650 1 1 18 HIS CG C 9.944 -7.848 -1.944 1.00 . A A . 18 HIS CG 1 1 14 4651 1 1 18 HIS H H 7.484 -4.293 -1.988 1.00 . A A . 18 HIS H 1 1 14 4652 1 1 18 HIS HA H 9.114 -5.505 -0.861 1.00 . A A . 18 HIS HA 1 1 14 4653 1 1 18 HIS HB2 H 8.208 -6.930 -2.740 1.00 . A A . 18 HIS HB2 1 1 14 4654 1 1 18 HIS HB3 H 9.646 -6.569 -3.668 1.00 . A A . 18 HIS HB3 1 1 14 4655 1 1 18 HIS HD2 H 9.500 -9.379 -3.444 1.00 . A A . 18 HIS HD2 1 1 14 4656 1 1 18 HIS HE1 H 11.375 -9.548 0.273 1.00 . A A . 18 HIS HE1 1 1 14 4657 1 1 18 HIS HE2 H 10.724 -11.032 -1.729 1.00 . A A . 18 HIS HE2 1 1 14 4658 1 1 18 HIS N N 8.394 -4.370 -2.450 1.00 . A A . 18 HIS N 1 1 14 4659 1 1 18 HIS ND1 N 10.536 -7.840 -0.687 1.00 . A A . 18 HIS ND1 1 1 14 4660 1 1 18 HIS NE2 N 10.573 -10.021 -1.639 1.00 . A A . 18 HIS NE2 1 1 14 4661 1 1 18 HIS O O 11.783 -5.181 -2.493 1.00 . A A . 18 HIS O 1 1 14 4662 1 1 19 ALA C C 12.990 -2.376 -2.053 1.00 . A A . 19 ALA C 1 1 14 4663 1 1 19 ALA CA C 12.322 -2.939 -0.760 1.00 . A A . 19 ALA CA 1 1 14 4664 1 1 19 ALA CB C 13.294 -3.788 0.091 1.00 . A A . 19 ALA CB 1 1 14 4665 1 1 19 ALA H H 10.177 -3.367 -0.492 1.00 . A A . 19 ALA H 1 1 14 4666 1 1 19 ALA HA H 12.068 -2.075 -0.117 1.00 . A A . 19 ALA HA 1 1 14 4667 1 1 19 ALA HB1 H 13.620 -4.706 -0.433 1.00 . A A . 19 ALA HB1 1 1 14 4668 1 1 19 ALA HB2 H 12.834 -4.104 1.047 1.00 . A A . 19 ALA HB2 1 1 14 4669 1 1 19 ALA HB3 H 14.207 -3.220 0.349 1.00 . A A . 19 ALA HB3 1 1 14 4670 1 1 19 ALA N N 11.031 -3.653 -0.984 1.00 . A A . 19 ALA N 1 1 14 4671 1 1 19 ALA O O 13.803 -3.057 -2.689 1.00 . A A . 19 ALA O 1 1 14 4672 1 1 20 HIS C C 14.610 0.130 -3.331 1.00 . A A . 20 HIS C 1 1 14 4673 1 1 20 HIS CA C 13.198 -0.456 -3.630 1.00 . A A . 20 HIS CA 1 1 14 4674 1 1 20 HIS CB C 12.194 0.618 -4.119 1.00 . A A . 20 HIS CB 1 1 14 4675 1 1 20 HIS CD2 C 11.649 2.103 -6.139 1.00 . A A . 20 HIS CD2 1 1 14 4676 1 1 20 HIS CE1 C 13.036 1.363 -7.534 1.00 . A A . 20 HIS CE1 1 1 14 4677 1 1 20 HIS CG C 12.427 1.101 -5.543 1.00 . A A . 20 HIS CG 1 1 14 4678 1 1 20 HIS H H 11.873 -0.708 -1.910 1.00 . A A . 20 HIS H 1 1 14 4679 1 1 20 HIS HXT H 16.521 0.051 -3.712 1.00 . A A . 20 HIS HXT 1 1 14 4680 1 1 20 HIS HA H 13.241 -1.212 -4.429 1.00 . A A . 20 HIS HA 1 1 14 4681 1 1 20 HIS HB2 H 11.159 0.227 -4.092 1.00 . A A . 20 HIS HB2 1 1 14 4682 1 1 20 HIS HB3 H 12.188 1.486 -3.432 1.00 . A A . 20 HIS HB3 1 1 14 4683 1 1 20 HIS HD2 H 10.837 2.607 -5.638 1.00 . A A . 20 HIS HD2 1 1 14 4684 1 1 20 HIS HE1 H 13.572 1.230 -8.463 1.00 . A A . 20 HIS HE1 1 1 14 4685 1 1 20 HIS HE2 H 11.664 2.934 -8.162 1.00 . A A . 20 HIS HE2 1 1 14 4686 1 1 20 HIS N N 12.647 -1.125 -2.426 1.00 . A A . 20 HIS N 1 1 14 4687 1 1 20 HIS ND1 N 13.347 0.582 -6.446 1.00 . A A . 20 HIS ND1 1 1 14 4688 1 1 20 HIS NE2 N 12.040 2.299 -7.448 1.00 . A A . 20 HIS NE2 1 1 14 4689 1 1 20 HIS O O 14.778 1.053 -2.530 1.00 . A A . 20 HIS O 1 1 14 4690 1 1 20 HIS OXT O 15.727 -0.409 -3.996 1.00 . A A . 20 HIS OXT 1 1 15 4691 1 1 1 SER C C -10.477 1.789 6.792 1.00 . A A . 1 SER C 1 1 15 4692 1 1 1 SER CA C -11.033 0.332 6.643 1.00 . A A . 1 SER CA 1 1 15 4693 1 1 1 SER CB C -11.694 0.045 5.286 1.00 . A A . 1 SER CB 1 1 15 4694 1 1 1 SER H1 H -11.624 0.624 8.312 1.00 . A A . 1 SER H1 1 1 15 4695 1 1 1 SER H2 H -11.737 -0.798 8.372 1.00 . A A . 1 SER H2 1 1 15 4696 1 1 1 SER H3 H -12.896 0.352 7.719 1.00 . A A . 1 SER H3 1 1 15 4697 1 1 1 SER HA H -10.189 -0.336 6.665 1.00 . A A . 1 SER HA 1 1 15 4698 1 1 1 SER HB2 H -12.207 -0.938 5.282 1.00 . A A . 1 SER HB2 1 1 15 4699 1 1 1 SER HB3 H -12.458 0.807 5.105 1.00 . A A . 1 SER HB3 1 1 15 4700 1 1 1 SER HG H -10.106 -0.628 4.433 1.00 . A A . 1 SER HG 1 1 15 4701 1 1 1 SER N N -11.987 -0.091 7.697 1.00 . A A . 1 SER N 1 1 15 4702 1 1 1 SER O O -10.259 2.494 5.799 1.00 . A A . 1 SER O 1 1 15 4703 1 1 1 SER OG O -10.737 0.067 4.232 1.00 . A A . 1 SER OG 1 1 15 4704 1 1 2 ASP C C -8.717 3.567 9.637 1.00 . A A . 2 ASP C 1 1 15 4705 1 1 2 ASP CA C -9.653 3.552 8.374 1.00 . A A . 2 ASP CA 1 1 15 4706 1 1 2 ASP CB C -10.839 4.574 8.464 1.00 . A A . 2 ASP CB 1 1 15 4707 1 1 2 ASP CG C -10.486 6.031 8.138 1.00 . A A . 2 ASP CG 1 1 15 4708 1 1 2 ASP H H -10.481 1.545 8.761 1.00 . A A . 2 ASP H 1 1 15 4709 1 1 2 ASP HA H -8.978 3.790 7.549 1.00 . A A . 2 ASP HA 1 1 15 4710 1 1 2 ASP HB2 H -11.670 4.306 7.777 1.00 . A A . 2 ASP HB2 1 1 15 4711 1 1 2 ASP HB3 H -11.305 4.519 9.467 1.00 . A A . 2 ASP HB3 1 1 15 4712 1 1 2 ASP HD2 H -9.943 7.667 9.043 1.00 . A A . 2 ASP HD2 1 1 15 4713 1 1 2 ASP N N -10.223 2.220 8.042 1.00 . A A . 2 ASP N 1 1 15 4714 1 1 2 ASP O O -8.526 4.623 10.249 1.00 . A A . 2 ASP O 1 1 15 4715 1 1 2 ASP OD1 O -10.521 6.494 6.998 1.00 . A A . 2 ASP OD1 1 1 15 4716 1 1 2 ASP OD2 O -10.155 6.754 9.255 1.00 . A A . 2 ASP OD2 1 1 15 4717 1 1 3 THR C C -6.039 3.325 11.391 1.00 . A A . 3 THR C 1 1 15 4718 1 1 3 THR CA C -7.128 2.242 11.110 1.00 . A A . 3 THR CA 1 1 15 4719 1 1 3 THR CB C -6.599 0.771 11.095 1.00 . A A . 3 THR CB 1 1 15 4720 1 1 3 THR CG2 C -5.839 0.327 9.832 1.00 . A A . 3 THR CG2 1 1 15 4721 1 1 3 THR H H -8.246 1.669 9.293 1.00 . A A . 3 THR H 1 1 15 4722 1 1 3 THR HA H -7.778 2.278 11.991 1.00 . A A . 3 THR HA 1 1 15 4723 1 1 3 THR HB H -7.471 0.095 11.194 1.00 . A A . 3 THR HB 1 1 15 4724 1 1 3 THR HG1 H -5.007 1.113 12.122 1.00 . A A . 3 THR HG1 1 1 15 4725 1 1 3 THR HG21 H -5.505 -0.722 9.914 1.00 . A A . 3 THR HG21 1 1 15 4726 1 1 3 THR HG22 H -4.950 0.951 9.646 1.00 . A A . 3 THR HG22 1 1 15 4727 1 1 3 THR HG23 H -6.481 0.398 8.936 1.00 . A A . 3 THR HG23 1 1 15 4728 1 1 3 THR N N -8.053 2.433 9.950 1.00 . A A . 3 THR N 1 1 15 4729 1 1 3 THR O O -6.051 3.930 12.468 1.00 . A A . 3 THR O 1 1 15 4730 1 1 3 THR OG1 O -5.764 0.532 12.225 1.00 . A A . 3 THR OG1 1 1 15 4731 1 1 4 ARG C C -4.385 5.754 9.581 1.00 . A A . 4 ARG C 1 1 15 4732 1 1 4 ARG CA C -4.051 4.573 10.539 1.00 . A A . 4 ARG CA 1 1 15 4733 1 1 4 ARG CB C -2.702 3.899 10.154 1.00 . A A . 4 ARG CB 1 1 15 4734 1 1 4 ARG CD C -1.825 1.473 10.325 1.00 . A A . 4 ARG CD 1 1 15 4735 1 1 4 ARG CG C -2.203 2.769 11.095 1.00 . A A . 4 ARG CG 1 1 15 4736 1 1 4 ARG CZ C -0.970 -0.812 10.899 1.00 . A A . 4 ARG CZ 1 1 15 4737 1 1 4 ARG H H -5.303 3.119 9.557 1.00 . A A . 4 ARG H 1 1 15 4738 1 1 4 ARG HA H -3.988 4.929 11.576 1.00 . A A . 4 ARG HA 1 1 15 4739 1 1 4 ARG HB2 H -2.772 3.534 9.108 1.00 . A A . 4 ARG HB2 1 1 15 4740 1 1 4 ARG HB3 H -1.908 4.671 10.093 1.00 . A A . 4 ARG HB3 1 1 15 4741 1 1 4 ARG HD2 H -2.700 1.075 9.769 1.00 . A A . 4 ARG HD2 1 1 15 4742 1 1 4 ARG HD3 H -1.072 1.675 9.537 1.00 . A A . 4 ARG HD3 1 1 15 4743 1 1 4 ARG HE H -1.219 0.692 12.231 1.00 . A A . 4 ARG HE 1 1 15 4744 1 1 4 ARG HG2 H -1.354 3.157 11.695 1.00 . A A . 4 ARG HG2 1 1 15 4745 1 1 4 ARG HG3 H -2.970 2.548 11.868 1.00 . A A . 4 ARG HG3 1 1 15 4746 1 1 4 ARG HH11 H -0.753 -2.248 9.505 1.00 . A A . 4 ARG HH11 1 1 15 4747 1 1 4 ARG HH12 H -1.390 -0.624 8.939 1.00 . A A . 4 ARG HH12 1 1 15 4748 1 1 4 ARG HH21 H -0.274 -2.576 11.541 1.00 . A A . 4 ARG HH21 1 1 15 4749 1 1 4 ARG HH22 H -0.481 -1.248 12.790 1.00 . A A . 4 ARG HH22 1 1 15 4750 1 1 4 ARG N N -5.118 3.552 10.444 1.00 . A A . 4 ARG N 1 1 15 4751 1 1 4 ARG NE N -1.315 0.440 11.257 1.00 . A A . 4 ARG NE 1 1 15 4752 1 1 4 ARG NH1 N -1.045 -1.276 9.653 1.00 . A A . 4 ARG NH1 1 1 15 4753 1 1 4 ARG NH2 N -0.530 -1.628 11.839 1.00 . A A . 4 ARG NH2 1 1 15 4754 1 1 4 ARG O O -3.569 6.110 8.727 1.00 . A A . 4 ARG O 1 1 15 4755 1 1 5 TYR C C -6.273 7.021 7.439 1.00 . A A . 5 TYR C 1 1 15 4756 1 1 5 TYR CA C -6.085 7.508 8.922 1.00 . A A . 5 TYR CA 1 1 15 4757 1 1 5 TYR CB C -5.244 8.782 9.170 1.00 . A A . 5 TYR CB 1 1 15 4758 1 1 5 TYR CD1 C -6.829 10.756 8.849 1.00 . A A . 5 TYR CD1 1 1 15 4759 1 1 5 TYR CD2 C -4.938 10.556 7.360 1.00 . A A . 5 TYR CD2 1 1 15 4760 1 1 5 TYR CE1 C -7.225 11.917 8.189 1.00 . A A . 5 TYR CE1 1 1 15 4761 1 1 5 TYR CE2 C -5.336 11.716 6.700 1.00 . A A . 5 TYR CE2 1 1 15 4762 1 1 5 TYR CG C -5.684 10.064 8.437 1.00 . A A . 5 TYR CG 1 1 15 4763 1 1 5 TYR CZ C -6.478 12.397 7.114 1.00 . A A . 5 TYR CZ 1 1 15 4764 1 1 5 TYR H H -6.236 5.799 10.283 1.00 . A A . 5 TYR H 1 1 15 4765 1 1 5 TYR HA H -7.056 7.816 9.333 1.00 . A A . 5 TYR HA 1 1 15 4766 1 1 5 TYR HB2 H -5.221 9.001 10.257 1.00 . A A . 5 TYR HB2 1 1 15 4767 1 1 5 TYR HB3 H -4.216 8.516 8.931 1.00 . A A . 5 TYR HB3 1 1 15 4768 1 1 5 TYR HD1 H -7.417 10.396 9.682 1.00 . A A . 5 TYR HD1 1 1 15 4769 1 1 5 TYR HD2 H -4.049 10.039 7.025 1.00 . A A . 5 TYR HD2 1 1 15 4770 1 1 5 TYR HE1 H -8.111 12.443 8.514 1.00 . A A . 5 TYR HE1 1 1 15 4771 1 1 5 TYR HE2 H -4.754 12.086 5.868 1.00 . A A . 5 TYR HE2 1 1 15 4772 1 1 5 TYR HH H -6.248 13.727 5.757 1.00 . A A . 5 TYR HH 1 1 15 4773 1 1 5 TYR N N -5.584 6.369 9.744 1.00 . A A . 5 TYR N 1 1 15 4774 1 1 5 TYR O O -5.550 7.475 6.547 1.00 . A A . 5 TYR O 1 1 15 4775 1 1 5 TYR OH O -6.869 13.542 6.465 1.00 . A A . 5 TYR OH 1 1 15 4776 1 1 6 ASN C C -6.408 4.485 5.391 1.00 . A A . 6 ASN C 1 1 15 4777 1 1 6 ASN CA C -7.507 5.510 5.835 1.00 . A A . 6 ASN CA 1 1 15 4778 1 1 6 ASN CB C -7.844 6.593 4.755 1.00 . A A . 6 ASN CB 1 1 15 4779 1 1 6 ASN CG C -8.681 6.085 3.564 1.00 . A A . 6 ASN CG 1 1 15 4780 1 1 6 ASN H H -7.623 5.592 8.008 1.00 . A A . 6 ASN H 1 1 15 4781 1 1 6 ASN HA H -8.445 4.936 5.953 1.00 . A A . 6 ASN HA 1 1 15 4782 1 1 6 ASN HB2 H -8.361 7.453 5.217 1.00 . A A . 6 ASN HB2 1 1 15 4783 1 1 6 ASN HB3 H -6.905 7.026 4.354 1.00 . A A . 6 ASN HB3 1 1 15 4784 1 1 6 ASN HD21 H -10.535 5.728 2.884 1.00 . A A . 6 ASN HD21 1 1 15 4785 1 1 6 ASN HD22 H -10.379 6.403 4.583 1.00 . A A . 6 ASN HD22 1 1 15 4786 1 1 6 ASN N N -7.217 6.074 7.189 1.00 . A A . 6 ASN N 1 1 15 4787 1 1 6 ASN ND2 N -10.001 6.071 3.690 1.00 . A A . 6 ASN ND2 1 1 15 4788 1 1 6 ASN O O -5.841 4.654 4.306 1.00 . A A . 6 ASN O 1 1 15 4789 1 1 6 ASN OD1 O -8.148 5.700 2.525 1.00 . A A . 6 ASN OD1 1 1 15 4790 1 1 7 LYS C C -3.599 2.848 5.637 1.00 . A A . 7 LYS C 1 1 15 4791 1 1 7 LYS CA C -5.075 2.389 5.804 1.00 . A A . 7 LYS CA 1 1 15 4792 1 1 7 LYS CB C -5.564 1.577 4.566 1.00 . A A . 7 LYS CB 1 1 15 4793 1 1 7 LYS CD C -7.200 -0.134 5.736 1.00 . A A . 7 LYS CD 1 1 15 4794 1 1 7 LYS CE C -6.286 -1.377 5.754 1.00 . A A . 7 LYS CE 1 1 15 4795 1 1 7 LYS CG C -6.960 0.905 4.615 1.00 . A A . 7 LYS CG 1 1 15 4796 1 1 7 LYS H H -6.569 3.347 7.092 1.00 . A A . 7 LYS H 1 1 15 4797 1 1 7 LYS HA H -4.985 1.617 6.562 1.00 . A A . 7 LYS HA 1 1 15 4798 1 1 7 LYS HB2 H -5.523 2.216 3.665 1.00 . A A . 7 LYS HB2 1 1 15 4799 1 1 7 LYS HB3 H -4.827 0.779 4.393 1.00 . A A . 7 LYS HB3 1 1 15 4800 1 1 7 LYS HD2 H -7.120 0.378 6.712 1.00 . A A . 7 LYS HD2 1 1 15 4801 1 1 7 LYS HD3 H -8.254 -0.465 5.687 1.00 . A A . 7 LYS HD3 1 1 15 4802 1 1 7 LYS HE2 H -5.223 -1.081 5.818 1.00 . A A . 7 LYS HE2 1 1 15 4803 1 1 7 LYS HE3 H -6.484 -1.959 6.673 1.00 . A A . 7 LYS HE3 1 1 15 4804 1 1 7 LYS HG2 H -7.735 1.691 4.695 1.00 . A A . 7 LYS HG2 1 1 15 4805 1 1 7 LYS HG3 H -7.153 0.428 3.638 1.00 . A A . 7 LYS HG3 1 1 15 4806 1 1 7 LYS HZ1 H -7.438 -2.585 4.550 1.00 . A A . 7 LYS HZ1 1 1 15 4807 1 1 7 LYS HZ2 H -6.234 -1.768 3.726 1.00 . A A . 7 LYS HZ2 1 1 15 4808 1 1 7 LYS HZ3 H -5.838 -3.061 4.643 1.00 . A A . 7 LYS HZ3 1 1 15 4809 1 1 7 LYS N N -6.084 3.427 6.193 1.00 . A A . 7 LYS N 1 1 15 4810 1 1 7 LYS NZ N -6.481 -2.263 4.590 1.00 . A A . 7 LYS NZ 1 1 15 4811 1 1 7 LYS O O -2.768 1.957 5.433 1.00 . A A . 7 LYS O 1 1 15 4812 1 1 8 ASP C C -1.287 4.136 4.200 1.00 . A A . 8 ASP C 1 1 15 4813 1 1 8 ASP CA C -1.772 4.618 5.624 1.00 . A A . 8 ASP CA 1 1 15 4814 1 1 8 ASP CB C -1.009 4.252 6.911 1.00 . A A . 8 ASP CB 1 1 15 4815 1 1 8 ASP CG C 0.520 4.348 6.893 1.00 . A A . 8 ASP CG 1 1 15 4816 1 1 8 ASP H H -3.881 4.662 6.375 1.00 . A A . 8 ASP H 1 1 15 4817 1 1 8 ASP HA H -1.656 5.717 5.604 1.00 . A A . 8 ASP HA 1 1 15 4818 1 1 8 ASP HB2 H -1.373 4.926 7.713 1.00 . A A . 8 ASP HB2 1 1 15 4819 1 1 8 ASP HB3 H -1.345 3.254 7.209 1.00 . A A . 8 ASP HB3 1 1 15 4820 1 1 8 ASP HD2 H 2.074 3.178 6.792 1.00 . A A . 8 ASP HD2 1 1 15 4821 1 1 8 ASP N N -3.206 4.148 5.816 1.00 . A A . 8 ASP N 1 1 15 4822 1 1 8 ASP O O -0.168 3.647 4.020 1.00 . A A . 8 ASP O 1 1 15 4823 1 1 8 ASP OD1 O 1.133 5.413 6.947 1.00 . A A . 8 ASP OD1 1 1 15 4824 1 1 8 ASP OD2 O 1.116 3.115 6.804 1.00 . A A . 8 ASP OD2 1 1 15 4825 1 1 9 PHE C C -1.767 2.332 1.692 1.00 . A A . 9 PHE C 1 1 15 4826 1 1 9 PHE CA C -2.048 3.899 1.789 1.00 . A A . 9 PHE CA 1 1 15 4827 1 1 9 PHE CB C -1.040 4.881 1.145 1.00 . A A . 9 PHE CB 1 1 15 4828 1 1 9 PHE CD1 C 0.319 4.768 -1.003 1.00 . A A . 9 PHE CD1 1 1 15 4829 1 1 9 PHE CD2 C -2.046 5.246 -1.178 1.00 . A A . 9 PHE CD2 1 1 15 4830 1 1 9 PHE CE1 C 0.448 4.926 -2.388 1.00 . A A . 9 PHE CE1 1 1 15 4831 1 1 9 PHE CE2 C -1.916 5.383 -2.565 1.00 . A A . 9 PHE CE2 1 1 15 4832 1 1 9 PHE CG C -0.930 4.930 -0.391 1.00 . A A . 9 PHE CG 1 1 15 4833 1 1 9 PHE CZ C -0.669 5.222 -3.161 1.00 . A A . 9 PHE CZ 1 1 15 4834 1 1 9 PHE H H -3.071 4.752 3.511 1.00 . A A . 9 PHE H 1 1 15 4835 1 1 9 PHE HA H -2.980 4.182 1.269 1.00 . A A . 9 PHE HA 1 1 15 4836 1 1 9 PHE HB2 H -1.305 5.901 1.491 1.00 . A A . 9 PHE HB2 1 1 15 4837 1 1 9 PHE HB3 H -0.072 4.672 1.607 1.00 . A A . 9 PHE HB3 1 1 15 4838 1 1 9 PHE HD1 H 1.178 4.548 -0.377 1.00 . A A . 9 PHE HD1 1 1 15 4839 1 1 9 PHE HD2 H -3.000 5.397 -0.682 1.00 . A A . 9 PHE HD2 1 1 15 4840 1 1 9 PHE HE1 H 1.398 4.834 -2.903 1.00 . A A . 9 PHE HE1 1 1 15 4841 1 1 9 PHE HE2 H -2.754 5.626 -3.211 1.00 . A A . 9 PHE HE2 1 1 15 4842 1 1 9 PHE HZ H -0.567 5.340 -4.230 1.00 . A A . 9 PHE HZ 1 1 15 4843 1 1 9 PHE N N -2.213 4.283 3.202 1.00 . A A . 9 PHE N 1 1 15 4844 1 1 9 PHE O O -0.988 1.973 0.802 1.00 . A A . 9 PHE O 1 1 15 4845 1 1 10 ILE C C -0.511 -0.362 2.605 1.00 . A A . 10 ILE C 1 1 15 4846 1 1 10 ILE CA C -2.042 -0.088 2.467 1.00 . A A . 10 ILE CA 1 1 15 4847 1 1 10 ILE CB C -2.892 -0.674 1.301 1.00 . A A . 10 ILE CB 1 1 15 4848 1 1 10 ILE CD1 C -5.274 -0.079 0.457 1.00 . A A . 10 ILE CD1 1 1 15 4849 1 1 10 ILE CG1 C -4.411 -0.593 1.607 1.00 . A A . 10 ILE CG1 1 1 15 4850 1 1 10 ILE CG2 C -2.516 -2.099 0.831 1.00 . A A . 10 ILE CG2 1 1 15 4851 1 1 10 ILE H H -3.224 1.504 3.068 1.00 . A A . 10 ILE H 1 1 15 4852 1 1 10 ILE HA H -2.478 -0.564 3.348 1.00 . A A . 10 ILE HA 1 1 15 4853 1 1 10 ILE HB H -2.729 0.013 0.484 1.00 . A A . 10 ILE HB 1 1 15 4854 1 1 10 ILE HD11 H -5.183 -0.718 -0.436 1.00 . A A . 10 ILE HD11 1 1 15 4855 1 1 10 ILE HD12 H -4.967 0.949 0.181 1.00 . A A . 10 ILE HD12 1 1 15 4856 1 1 10 ILE HD13 H -6.334 -0.033 0.760 1.00 . A A . 10 ILE HD13 1 1 15 4857 1 1 10 ILE HG12 H -4.748 -1.564 1.973 1.00 . A A . 10 ILE HG12 1 1 15 4858 1 1 10 ILE HG13 H -4.615 0.103 2.435 1.00 . A A . 10 ILE HG13 1 1 15 4859 1 1 10 ILE HG21 H -2.572 -2.833 1.659 1.00 . A A . 10 ILE HG21 1 1 15 4860 1 1 10 ILE HG22 H -1.493 -2.147 0.417 1.00 . A A . 10 ILE HG22 1 1 15 4861 1 1 10 ILE HG23 H -3.188 -2.456 0.029 1.00 . A A . 10 ILE HG23 1 1 15 4862 1 1 10 ILE N N -2.323 1.381 2.553 1.00 . A A . 10 ILE N 1 1 15 4863 1 1 10 ILE O O 0.157 -0.750 1.643 1.00 . A A . 10 ILE O 1 1 15 4864 1 1 11 ASN C C 2.464 0.498 3.217 1.00 . A A . 11 ASN C 1 1 15 4865 1 1 11 ASN CA C 1.469 -0.282 4.179 1.00 . A A . 11 ASN CA 1 1 15 4866 1 1 11 ASN CB C 1.732 -1.805 4.326 1.00 . A A . 11 ASN CB 1 1 15 4867 1 1 11 ASN CG C 3.023 -2.224 5.055 1.00 . A A . 11 ASN CG 1 1 15 4868 1 1 11 ASN H H -0.665 0.061 4.565 1.00 . A A . 11 ASN H 1 1 15 4869 1 1 11 ASN HA H 1.623 0.057 5.219 1.00 . A A . 11 ASN HA 1 1 15 4870 1 1 11 ASN HB2 H 0.874 -2.296 4.830 1.00 . A A . 11 ASN HB2 1 1 15 4871 1 1 11 ASN HB3 H 1.737 -2.225 3.320 1.00 . A A . 11 ASN HB3 1 1 15 4872 1 1 11 ASN HD21 H 3.854 -2.602 6.841 1.00 . A A . 11 ASN HD21 1 1 15 4873 1 1 11 ASN HD22 H 2.086 -2.108 6.816 1.00 . A A . 11 ASN HD22 1 1 15 4874 1 1 11 ASN N N 0.027 -0.099 3.829 1.00 . A A . 11 ASN N 1 1 15 4875 1 1 11 ASN ND2 N 2.986 -2.316 6.373 1.00 . A A . 11 ASN ND2 1 1 15 4876 1 1 11 ASN O O 3.624 0.088 3.118 1.00 . A A . 11 ASN O 1 1 15 4877 1 1 11 ASN OD1 O 4.056 -2.474 4.438 1.00 . A A . 11 ASN OD1 1 1 15 4878 1 1 12 ASN C C 3.395 1.479 0.411 1.00 . A A . 12 ASN C 1 1 15 4879 1 1 12 ASN CA C 2.949 2.392 1.597 1.00 . A A . 12 ASN CA 1 1 15 4880 1 1 12 ASN CB C 4.010 3.201 2.365 1.00 . A A . 12 ASN CB 1 1 15 4881 1 1 12 ASN CG C 4.908 4.121 1.529 1.00 . A A . 12 ASN CG 1 1 15 4882 1 1 12 ASN H H 1.102 1.956 2.595 1.00 . A A . 12 ASN H 1 1 15 4883 1 1 12 ASN HA H 2.339 3.181 1.159 1.00 . A A . 12 ASN HA 1 1 15 4884 1 1 12 ASN HB2 H 3.510 3.769 3.176 1.00 . A A . 12 ASN HB2 1 1 15 4885 1 1 12 ASN HB3 H 4.638 2.529 2.911 1.00 . A A . 12 ASN HB3 1 1 15 4886 1 1 12 ASN HD21 H 5.138 6.100 1.217 1.00 . A A . 12 ASN HD21 1 1 15 4887 1 1 12 ASN HD22 H 3.774 5.395 2.271 1.00 . A A . 12 ASN HD22 1 1 15 4888 1 1 12 ASN N N 2.071 1.625 2.528 1.00 . A A . 12 ASN N 1 1 15 4889 1 1 12 ASN ND2 N 4.511 5.364 1.560 1.00 . A A . 12 ASN ND2 1 1 15 4890 1 1 12 ASN O O 4.586 1.232 0.230 1.00 . A A . 12 ASN O 1 1 15 4891 1 1 12 ASN OD1 O 5.911 3.748 0.921 1.00 . A A . 12 ASN OD1 1 1 15 4892 1 1 13 LYS C C 3.302 -1.287 -1.183 1.00 . A A . 13 LYS C 1 1 15 4893 1 1 13 LYS CA C 2.645 0.080 -1.550 1.00 . A A . 13 LYS CA 1 1 15 4894 1 1 13 LYS CB C 3.335 0.815 -2.741 1.00 . A A . 13 LYS CB 1 1 15 4895 1 1 13 LYS CD C 1.199 1.687 -4.007 1.00 . A A . 13 LYS CD 1 1 15 4896 1 1 13 LYS CE C 1.180 0.685 -5.182 1.00 . A A . 13 LYS CE 1 1 15 4897 1 1 13 LYS CG C 2.576 2.003 -3.374 1.00 . A A . 13 LYS CG 1 1 15 4898 1 1 13 LYS H H 1.461 1.241 -0.105 1.00 . A A . 13 LYS H 1 1 15 4899 1 1 13 LYS HA H 1.653 -0.213 -1.895 1.00 . A A . 13 LYS HA 1 1 15 4900 1 1 13 LYS HB2 H 4.331 1.170 -2.419 1.00 . A A . 13 LYS HB2 1 1 15 4901 1 1 13 LYS HB3 H 3.543 0.089 -3.546 1.00 . A A . 13 LYS HB3 1 1 15 4902 1 1 13 LYS HD2 H 0.524 1.314 -3.213 1.00 . A A . 13 LYS HD2 1 1 15 4903 1 1 13 LYS HD3 H 0.735 2.636 -4.332 1.00 . A A . 13 LYS HD3 1 1 15 4904 1 1 13 LYS HE2 H 1.607 -0.286 -4.874 1.00 . A A . 13 LYS HE2 1 1 15 4905 1 1 13 LYS HE3 H 0.132 0.470 -5.458 1.00 . A A . 13 LYS HE3 1 1 15 4906 1 1 13 LYS HG2 H 2.446 2.783 -2.604 1.00 . A A . 13 LYS HG2 1 1 15 4907 1 1 13 LYS HG3 H 3.224 2.472 -4.137 1.00 . A A . 13 LYS HG3 1 1 15 4908 1 1 13 LYS HZ1 H 2.862 1.341 -6.173 1.00 . A A . 13 LYS HZ1 1 1 15 4909 1 1 13 LYS HZ2 H 1.444 2.029 -6.731 1.00 . A A . 13 LYS HZ2 1 1 15 4910 1 1 13 LYS HZ3 H 1.802 0.488 -7.143 1.00 . A A . 13 LYS HZ3 1 1 15 4911 1 1 13 LYS N N 2.414 0.982 -0.381 1.00 . A A . 13 LYS N 1 1 15 4912 1 1 13 LYS NZ N 1.888 1.171 -6.383 1.00 . A A . 13 LYS NZ 1 1 15 4913 1 1 13 LYS O O 4.126 -1.797 -1.946 1.00 . A A . 13 LYS O 1 1 15 4914 1 1 14 HIS C C 4.990 -3.112 0.578 1.00 . A A . 14 HIS C 1 1 15 4915 1 1 14 HIS CA C 3.439 -3.241 0.419 1.00 . A A . 14 HIS CA 1 1 15 4916 1 1 14 HIS CB C 2.951 -4.439 -0.437 1.00 . A A . 14 HIS CB 1 1 15 4917 1 1 14 HIS CD2 C 4.017 -6.808 -0.221 1.00 . A A . 14 HIS CD2 1 1 15 4918 1 1 14 HIS CE1 C 3.255 -7.327 1.670 1.00 . A A . 14 HIS CE1 1 1 15 4919 1 1 14 HIS CG C 3.197 -5.772 0.262 1.00 . A A . 14 HIS CG 1 1 15 4920 1 1 14 HIS H H 2.161 -1.428 0.471 1.00 . A A . 14 HIS H 1 1 15 4921 1 1 14 HIS HA H 3.021 -3.400 1.427 1.00 . A A . 14 HIS HA 1 1 15 4922 1 1 14 HIS HB2 H 1.866 -4.348 -0.640 1.00 . A A . 14 HIS HB2 1 1 15 4923 1 1 14 HIS HB3 H 3.430 -4.423 -1.435 1.00 . A A . 14 HIS HB3 1 1 15 4924 1 1 14 HIS HD2 H 4.555 -6.793 -1.157 1.00 . A A . 14 HIS HD2 1 1 15 4925 1 1 14 HIS HE1 H 3.074 -7.895 2.571 1.00 . A A . 14 HIS HE1 1 1 15 4926 1 1 14 HIS HE2 H 4.575 -8.731 0.658 1.00 . A A . 14 HIS HE2 1 1 15 4927 1 1 14 HIS N N 2.883 -1.932 -0.059 1.00 . A A . 14 HIS N 1 1 15 4928 1 1 14 HIS ND1 N 2.681 -6.089 1.513 1.00 . A A . 14 HIS ND1 1 1 15 4929 1 1 14 HIS NE2 N 4.064 -7.842 0.692 1.00 . A A . 14 HIS NE2 1 1 15 4930 1 1 14 HIS O O 5.762 -3.774 -0.125 1.00 . A A . 14 HIS O 1 1 15 4931 1 1 15 LEU C C 7.570 -1.345 0.510 1.00 . A A . 15 LEU C 1 1 15 4932 1 1 15 LEU CA C 6.854 -1.934 1.788 1.00 . A A . 15 LEU CA 1 1 15 4933 1 1 15 LEU CB C 7.620 -3.130 2.448 1.00 . A A . 15 LEU CB 1 1 15 4934 1 1 15 LEU CD1 C 6.021 -4.916 3.450 1.00 . A A . 15 LEU CD1 1 1 15 4935 1 1 15 LEU CD2 C 8.247 -4.494 4.501 1.00 . A A . 15 LEU CD2 1 1 15 4936 1 1 15 LEU CG C 7.070 -3.803 3.754 1.00 . A A . 15 LEU CG 1 1 15 4937 1 1 15 LEU H H 4.687 -1.764 2.053 1.00 . A A . 15 LEU H 1 1 15 4938 1 1 15 LEU HA H 6.870 -1.095 2.501 1.00 . A A . 15 LEU HA 1 1 15 4939 1 1 15 LEU HB2 H 7.791 -3.911 1.681 1.00 . A A . 15 LEU HB2 1 1 15 4940 1 1 15 LEU HB3 H 8.631 -2.740 2.659 1.00 . A A . 15 LEU HB3 1 1 15 4941 1 1 15 LEU HD11 H 6.405 -5.689 2.751 1.00 . A A . 15 LEU HD11 1 1 15 4942 1 1 15 LEU HD12 H 5.699 -5.467 4.355 1.00 . A A . 15 LEU HD12 1 1 15 4943 1 1 15 LEU HD13 H 5.092 -4.536 2.991 1.00 . A A . 15 LEU HD13 1 1 15 4944 1 1 15 LEU HD21 H 9.035 -3.780 4.806 1.00 . A A . 15 LEU HD21 1 1 15 4945 1 1 15 LEU HD22 H 7.930 -5.017 5.424 1.00 . A A . 15 LEU HD22 1 1 15 4946 1 1 15 LEU HD23 H 8.759 -5.259 3.879 1.00 . A A . 15 LEU HD23 1 1 15 4947 1 1 15 LEU HG H 6.621 -3.005 4.416 1.00 . A A . 15 LEU HG 1 1 15 4948 1 1 15 LEU N N 5.421 -2.221 1.505 1.00 . A A . 15 LEU N 1 1 15 4949 1 1 15 LEU O O 8.729 -1.680 0.244 1.00 . A A . 15 LEU O 1 1 15 4950 1 1 16 ASN C C 7.877 -0.895 -2.550 1.00 . A A . 16 ASN C 1 1 15 4951 1 1 16 ASN CA C 7.427 0.184 -1.511 1.00 . A A . 16 ASN CA 1 1 15 4952 1 1 16 ASN CB C 8.394 1.313 -1.126 1.00 . A A . 16 ASN CB 1 1 15 4953 1 1 16 ASN CG C 8.875 2.213 -2.270 1.00 . A A . 16 ASN CG 1 1 15 4954 1 1 16 ASN H H 5.937 -0.183 0.021 1.00 . A A . 16 ASN H 1 1 15 4955 1 1 16 ASN HA H 6.604 0.748 -1.962 1.00 . A A . 16 ASN HA 1 1 15 4956 1 1 16 ASN HB2 H 7.905 1.907 -0.323 1.00 . A A . 16 ASN HB2 1 1 15 4957 1 1 16 ASN HB3 H 9.258 0.911 -0.636 1.00 . A A . 16 ASN HB3 1 1 15 4958 1 1 16 ASN HD21 H 8.595 4.108 -2.903 1.00 . A A . 16 ASN HD21 1 1 15 4959 1 1 16 ASN HD22 H 7.657 3.374 -1.469 1.00 . A A . 16 ASN HD22 1 1 15 4960 1 1 16 ASN N N 6.891 -0.447 -0.270 1.00 . A A . 16 ASN N 1 1 15 4961 1 1 16 ASN ND2 N 8.235 3.348 -2.315 1.00 . A A . 16 ASN ND2 1 1 15 4962 1 1 16 ASN O O 9.047 -0.968 -2.936 1.00 . A A . 16 ASN O 1 1 15 4963 1 1 16 ASN OD1 O 9.783 1.917 -3.047 1.00 . A A . 16 ASN OD1 1 1 15 4964 1 1 17 GLU C C 8.289 -3.786 -3.620 1.00 . A A . 17 GLU C 1 1 15 4965 1 1 17 GLU CA C 7.054 -2.874 -3.891 1.00 . A A . 17 GLU CA 1 1 15 4966 1 1 17 GLU CB C 6.830 -2.373 -5.322 1.00 . A A . 17 GLU CB 1 1 15 4967 1 1 17 GLU CD C 5.198 -1.278 -6.993 1.00 . A A . 17 GLU CD 1 1 15 4968 1 1 17 GLU CG C 5.439 -1.742 -5.556 1.00 . A A . 17 GLU CG 1 1 15 4969 1 1 17 GLU H H 5.940 -1.434 -2.866 1.00 . A A . 17 GLU H 1 1 15 4970 1 1 17 GLU HA H 6.162 -3.485 -3.738 1.00 . A A . 17 GLU HA 1 1 15 4971 1 1 17 GLU HB2 H 7.639 -1.684 -5.586 1.00 . A A . 17 GLU HB2 1 1 15 4972 1 1 17 GLU HB3 H 6.920 -3.241 -5.976 1.00 . A A . 17 GLU HB3 1 1 15 4973 1 1 17 GLU HE2 H 5.462 0.301 -8.101 1.00 . A A . 17 GLU HE2 1 1 15 4974 1 1 17 GLU HG2 H 4.656 -2.455 -5.248 1.00 . A A . 17 GLU HG2 1 1 15 4975 1 1 17 GLU HG3 H 5.308 -0.903 -4.856 1.00 . A A . 17 GLU HG3 1 1 15 4976 1 1 17 GLU N N 6.907 -1.759 -2.938 1.00 . A A . 17 GLU N 1 1 15 4977 1 1 17 GLU O O 9.206 -3.876 -4.442 1.00 . A A . 17 GLU O 1 1 15 4978 1 1 17 GLU OE1 O 4.684 -1.988 -7.856 1.00 . A A . 17 GLU OE1 1 1 15 4979 1 1 17 GLU OE2 O 5.616 0.013 -7.198 1.00 . A A . 17 GLU OE2 1 1 15 4980 1 1 18 HIS C C 10.755 -4.635 -1.889 1.00 . A A . 18 HIS C 1 1 15 4981 1 1 18 HIS CA C 9.364 -5.344 -1.944 1.00 . A A . 18 HIS CA 1 1 15 4982 1 1 18 HIS CB C 9.284 -6.681 -2.716 1.00 . A A . 18 HIS CB 1 1 15 4983 1 1 18 HIS CD2 C 10.118 -9.102 -2.697 1.00 . A A . 18 HIS CD2 1 1 15 4984 1 1 18 HIS CE1 C 11.164 -9.127 -0.875 1.00 . A A . 18 HIS CE1 1 1 15 4985 1 1 18 HIS CG C 10.062 -7.836 -2.105 1.00 . A A . 18 HIS CG 1 1 15 4986 1 1 18 HIS H H 7.402 -4.396 -1.920 1.00 . A A . 18 HIS H 1 1 15 4987 1 1 18 HIS HA H 9.094 -5.603 -0.902 1.00 . A A . 18 HIS HA 1 1 15 4988 1 1 18 HIS HB2 H 8.226 -7.002 -2.780 1.00 . A A . 18 HIS HB2 1 1 15 4989 1 1 18 HIS HB3 H 9.590 -6.526 -3.764 1.00 . A A . 18 HIS HB3 1 1 15 4990 1 1 18 HIS HD2 H 9.621 -9.350 -3.623 1.00 . A A . 18 HIS HD2 1 1 15 4991 1 1 18 HIS HE1 H 11.745 -9.495 -0.041 1.00 . A A . 18 HIS HE1 1 1 15 4992 1 1 18 HIS HE2 H 11.058 -10.965 -2.041 1.00 . A A . 18 HIS HE2 1 1 15 4993 1 1 18 HIS N N 8.292 -4.431 -2.425 1.00 . A A . 18 HIS N 1 1 15 4994 1 1 18 HIS ND1 N 10.736 -7.821 -0.891 1.00 . A A . 18 HIS ND1 1 1 15 4995 1 1 18 HIS NE2 N 10.847 -9.970 -1.909 1.00 . A A . 18 HIS NE2 1 1 15 4996 1 1 18 HIS O O 11.604 -4.840 -2.763 1.00 . A A . 18 HIS O 1 1 15 4997 1 1 19 ALA C C 12.569 -3.143 0.855 1.00 . A A . 19 ALA C 1 1 15 4998 1 1 19 ALA CA C 12.190 -3.025 -0.645 1.00 . A A . 19 ALA CA 1 1 15 4999 1 1 19 ALA CB C 12.022 -1.629 -1.307 1.00 . A A . 19 ALA CB 1 1 15 5000 1 1 19 ALA H H 10.223 -3.706 -0.159 1.00 . A A . 19 ALA H 1 1 15 5001 1 1 19 ALA HA H 13.023 -3.497 -1.144 1.00 . A A . 19 ALA HA 1 1 15 5002 1 1 19 ALA HB1 H 11.815 -1.707 -2.391 1.00 . A A . 19 ALA HB1 1 1 15 5003 1 1 19 ALA HB2 H 11.196 -1.045 -0.856 1.00 . A A . 19 ALA HB2 1 1 15 5004 1 1 19 ALA HB3 H 12.940 -1.023 -1.204 1.00 . A A . 19 ALA HB3 1 1 15 5005 1 1 19 ALA N N 10.952 -3.784 -0.861 1.00 . A A . 19 ALA N 1 1 15 5006 1 1 19 ALA O O 12.796 -4.242 1.375 1.00 . A A . 19 ALA O 1 1 15 5007 1 1 20 HIS C C 11.782 -2.255 3.863 1.00 . A A . 20 HIS C 1 1 15 5008 1 1 20 HIS CA C 12.987 -1.869 2.958 1.00 . A A . 20 HIS CA 1 1 15 5009 1 1 20 HIS CB C 13.498 -0.429 3.217 1.00 . A A . 20 HIS CB 1 1 15 5010 1 1 20 HIS CD2 C 14.758 0.987 4.946 1.00 . A A . 20 HIS CD2 1 1 15 5011 1 1 20 HIS CE1 C 15.336 -0.507 6.305 1.00 . A A . 20 HIS CE1 1 1 15 5012 1 1 20 HIS CG C 14.266 -0.252 4.519 1.00 . A A . 20 HIS CG 1 1 15 5013 1 1 20 HIS H H 12.633 -1.244 0.838 1.00 . A A . 20 HIS H 1 1 15 5014 1 1 20 HIS HXT H 11.064 -3.513 5.171 1.00 . A A . 20 HIS HXT 1 1 15 5015 1 1 20 HIS HA H 13.848 -2.536 3.135 1.00 . A A . 20 HIS HA 1 1 15 5016 1 1 20 HIS HB2 H 14.182 -0.101 2.409 1.00 . A A . 20 HIS HB2 1 1 15 5017 1 1 20 HIS HB3 H 12.658 0.291 3.182 1.00 . A A . 20 HIS HB3 1 1 15 5018 1 1 20 HIS HD2 H 14.631 1.904 4.391 1.00 . A A . 20 HIS HD2 1 1 15 5019 1 1 20 HIS HE1 H 15.795 -0.981 7.162 1.00 . A A . 20 HIS HE1 1 1 15 5020 1 1 20 HIS HE2 H 15.962 1.544 6.685 1.00 . A A . 20 HIS HE2 1 1 15 5021 1 1 20 HIS N N 12.639 -1.995 1.523 1.00 . A A . 20 HIS N 1 1 15 5022 1 1 20 HIS ND1 N 14.640 -1.267 5.393 1.00 . A A . 20 HIS ND1 1 1 15 5023 1 1 20 HIS NE2 N 15.460 0.845 6.126 1.00 . A A . 20 HIS NE2 1 1 15 5024 1 1 20 HIS O O 10.745 -1.590 3.891 1.00 . A A . 20 HIS O 1 1 15 5025 1 1 20 HIS OXT O 11.878 -3.402 4.674 1.00 . A A . 20 HIS OXT 1 1 16 5026 1 1 1 SER C C -12.437 3.500 -0.163 1.00 . A A . 1 SER C 1 1 16 5027 1 1 1 SER CA C -12.542 4.729 -1.131 1.00 . A A . 1 SER CA 1 1 16 5028 1 1 1 SER CB C -13.985 5.120 -1.490 1.00 . A A . 1 SER CB 1 1 16 5029 1 1 1 SER H1 H -11.206 3.903 -1.999 1.00 . A A . 1 SER H1 1 1 16 5030 1 1 1 SER H2 H -10.976 5.185 -2.583 1.00 . A A . 1 SER H2 1 1 16 5031 1 1 1 SER H3 H -12.122 3.952 -3.094 1.00 . A A . 1 SER H3 1 1 16 5032 1 1 1 SER HA H -12.163 5.582 -0.594 1.00 . A A . 1 SER HA 1 1 16 5033 1 1 1 SER HB2 H -14.015 5.896 -2.281 1.00 . A A . 1 SER HB2 1 1 16 5034 1 1 1 SER HB3 H -14.493 4.235 -1.886 1.00 . A A . 1 SER HB3 1 1 16 5035 1 1 1 SER HG H -14.672 4.893 0.293 1.00 . A A . 1 SER HG 1 1 16 5036 1 1 1 SER N N -11.792 4.616 -2.406 1.00 . A A . 1 SER N 1 1 16 5037 1 1 1 SER O O -13.361 3.215 0.607 1.00 . A A . 1 SER O 1 1 16 5038 1 1 1 SER OG O -14.691 5.604 -0.352 1.00 . A A . 1 SER OG 1 1 16 5039 1 1 2 ASP C C -9.458 1.418 0.567 1.00 . A A . 2 ASP C 1 1 16 5040 1 1 2 ASP CA C -10.994 1.635 0.675 1.00 . A A . 2 ASP CA 1 1 16 5041 1 1 2 ASP CB C -11.824 0.365 0.303 1.00 . A A . 2 ASP CB 1 1 16 5042 1 1 2 ASP CG C -11.864 -0.676 1.434 1.00 . A A . 2 ASP CG 1 1 16 5043 1 1 2 ASP H H -10.573 3.223 -0.772 1.00 . A A . 2 ASP H 1 1 16 5044 1 1 2 ASP HA H -11.228 1.951 1.714 1.00 . A A . 2 ASP HA 1 1 16 5045 1 1 2 ASP HB2 H -12.859 0.628 0.001 1.00 . A A . 2 ASP HB2 1 1 16 5046 1 1 2 ASP HB3 H -11.412 -0.117 -0.604 1.00 . A A . 2 ASP HB3 1 1 16 5047 1 1 2 ASP HD2 H -13.158 -1.557 2.589 1.00 . A A . 2 ASP HD2 1 1 16 5048 1 1 2 ASP N N -11.294 2.792 -0.193 1.00 . A A . 2 ASP N 1 1 16 5049 1 1 2 ASP O O -8.968 0.577 -0.200 1.00 . A A . 2 ASP O 1 1 16 5050 1 1 2 ASP OD1 O -10.861 -1.236 1.877 1.00 . A A . 2 ASP OD1 1 1 16 5051 1 1 2 ASP OD2 O -13.138 -0.906 1.885 1.00 . A A . 2 ASP OD2 1 1 16 5052 1 1 3 THR C C -6.582 0.742 1.869 1.00 . A A . 3 THR C 1 1 16 5053 1 1 3 THR CA C -7.233 2.103 1.440 1.00 . A A . 3 THR CA 1 1 16 5054 1 1 3 THR CB C -6.729 3.341 2.229 1.00 . A A . 3 THR CB 1 1 16 5055 1 1 3 THR CG2 C -5.412 3.841 1.653 1.00 . A A . 3 THR CG2 1 1 16 5056 1 1 3 THR H H -9.052 3.083 1.674 1.00 . A A . 3 THR H 1 1 16 5057 1 1 3 THR HA H -6.908 2.270 0.411 1.00 . A A . 3 THR HA 1 1 16 5058 1 1 3 THR HB H -6.622 3.024 3.265 1.00 . A A . 3 THR HB 1 1 16 5059 1 1 3 THR HG1 H -8.432 4.179 2.592 1.00 . A A . 3 THR HG1 1 1 16 5060 1 1 3 THR HG21 H -4.664 3.034 1.619 1.00 . A A . 3 THR HG21 1 1 16 5061 1 1 3 THR HG22 H -5.022 4.679 2.248 1.00 . A A . 3 THR HG22 1 1 16 5062 1 1 3 THR HG23 H -5.572 4.193 0.614 1.00 . A A . 3 THR HG23 1 1 16 5063 1 1 3 THR N N -8.700 2.165 1.394 1.00 . A A . 3 THR N 1 1 16 5064 1 1 3 THR O O -5.414 0.520 1.540 1.00 . A A . 3 THR O 1 1 16 5065 1 1 3 THR OG1 O -7.601 4.477 2.215 1.00 . A A . 3 THR OG1 1 1 16 5066 1 1 4 ARG C C -6.499 -2.358 1.714 1.00 . A A . 4 ARG C 1 1 16 5067 1 1 4 ARG CA C -6.794 -1.506 2.974 1.00 . A A . 4 ARG CA 1 1 16 5068 1 1 4 ARG CB C -7.770 -2.252 3.939 1.00 . A A . 4 ARG CB 1 1 16 5069 1 1 4 ARG CD C -7.262 -0.875 6.114 1.00 . A A . 4 ARG CD 1 1 16 5070 1 1 4 ARG CG C -8.334 -1.478 5.158 1.00 . A A . 4 ARG CG 1 1 16 5071 1 1 4 ARG CZ C -8.186 1.255 7.077 1.00 . A A . 4 ARG CZ 1 1 16 5072 1 1 4 ARG H H -8.262 0.101 2.808 1.00 . A A . 4 ARG H 1 1 16 5073 1 1 4 ARG HA H -5.822 -1.309 3.451 1.00 . A A . 4 ARG HA 1 1 16 5074 1 1 4 ARG HB2 H -8.646 -2.621 3.366 1.00 . A A . 4 ARG HB2 1 1 16 5075 1 1 4 ARG HB3 H -7.293 -3.183 4.305 1.00 . A A . 4 ARG HB3 1 1 16 5076 1 1 4 ARG HD2 H -6.654 -1.670 6.592 1.00 . A A . 4 ARG HD2 1 1 16 5077 1 1 4 ARG HD3 H -6.507 -0.275 5.565 1.00 . A A . 4 ARG HD3 1 1 16 5078 1 1 4 ARG HE H -8.049 -0.501 8.075 1.00 . A A . 4 ARG HE 1 1 16 5079 1 1 4 ARG HG2 H -9.018 -0.690 4.779 1.00 . A A . 4 ARG HG2 1 1 16 5080 1 1 4 ARG HG3 H -9.022 -2.151 5.712 1.00 . A A . 4 ARG HG3 1 1 16 5081 1 1 4 ARG HH11 H -8.308 2.955 6.004 1.00 . A A . 4 ARG HH11 1 1 16 5082 1 1 4 ARG HH12 H -7.631 1.476 5.154 1.00 . A A . 4 ARG HH12 1 1 16 5083 1 1 4 ARG HH21 H -8.806 1.295 8.980 1.00 . A A . 4 ARG HH21 1 1 16 5084 1 1 4 ARG HH22 H -8.927 2.857 8.023 1.00 . A A . 4 ARG HH22 1 1 16 5085 1 1 4 ARG N N -7.308 -0.167 2.570 1.00 . A A . 4 ARG N 1 1 16 5086 1 1 4 ARG NE N -7.865 -0.050 7.191 1.00 . A A . 4 ARG NE 1 1 16 5087 1 1 4 ARG NH1 N -8.026 1.969 5.964 1.00 . A A . 4 ARG NH1 1 1 16 5088 1 1 4 ARG NH2 N -8.691 1.864 8.135 1.00 . A A . 4 ARG NH2 1 1 16 5089 1 1 4 ARG O O -5.362 -2.787 1.520 1.00 . A A . 4 ARG O 1 1 16 5090 1 1 5 TYR C C -6.382 -2.597 -1.434 1.00 . A A . 5 TYR C 1 1 16 5091 1 1 5 TYR CA C -7.371 -3.300 -0.425 1.00 . A A . 5 TYR CA 1 1 16 5092 1 1 5 TYR CB C -8.742 -3.573 -1.074 1.00 . A A . 5 TYR CB 1 1 16 5093 1 1 5 TYR CD1 C -11.093 -3.813 -0.121 1.00 . A A . 5 TYR CD1 1 1 16 5094 1 1 5 TYR CD2 C -9.539 -5.625 0.245 1.00 . A A . 5 TYR CD2 1 1 16 5095 1 1 5 TYR CE1 C -12.073 -4.514 0.579 1.00 . A A . 5 TYR CE1 1 1 16 5096 1 1 5 TYR CE2 C -10.520 -6.325 0.942 1.00 . A A . 5 TYR CE2 1 1 16 5097 1 1 5 TYR CG C -9.813 -4.355 -0.280 1.00 . A A . 5 TYR CG 1 1 16 5098 1 1 5 TYR CZ C -11.787 -5.770 1.112 1.00 . A A . 5 TYR CZ 1 1 16 5099 1 1 5 TYR H H -8.426 -2.226 1.169 1.00 . A A . 5 TYR H 1 1 16 5100 1 1 5 TYR HA H -6.974 -4.286 -0.194 1.00 . A A . 5 TYR HA 1 1 16 5101 1 1 5 TYR HB2 H -9.134 -2.619 -1.443 1.00 . A A . 5 TYR HB2 1 1 16 5102 1 1 5 TYR HB3 H -8.553 -4.142 -1.986 1.00 . A A . 5 TYR HB3 1 1 16 5103 1 1 5 TYR HD1 H -11.338 -2.846 -0.535 1.00 . A A . 5 TYR HD1 1 1 16 5104 1 1 5 TYR HD2 H -8.564 -6.074 0.116 1.00 . A A . 5 TYR HD2 1 1 16 5105 1 1 5 TYR HE1 H -13.056 -4.081 0.704 1.00 . A A . 5 TYR HE1 1 1 16 5106 1 1 5 TYR HE2 H -10.296 -7.301 1.349 1.00 . A A . 5 TYR HE2 1 1 16 5107 1 1 5 TYR HH H -12.389 -7.300 2.089 1.00 . A A . 5 TYR HH 1 1 16 5108 1 1 5 TYR N N -7.519 -2.564 0.857 1.00 . A A . 5 TYR N 1 1 16 5109 1 1 5 TYR O O -5.739 -3.282 -2.235 1.00 . A A . 5 TYR O 1 1 16 5110 1 1 5 TYR OH O -12.753 -6.461 1.798 1.00 . A A . 5 TYR OH 1 1 16 5111 1 1 6 ASN C C -3.820 -0.657 -2.023 1.00 . A A . 6 ASN C 1 1 16 5112 1 1 6 ASN CA C -5.354 -0.423 -2.201 1.00 . A A . 6 ASN CA 1 1 16 5113 1 1 6 ASN CB C -5.604 1.072 -1.794 1.00 . A A . 6 ASN CB 1 1 16 5114 1 1 6 ASN CG C -5.263 2.116 -2.878 1.00 . A A . 6 ASN CG 1 1 16 5115 1 1 6 ASN H H -6.846 -0.805 -0.655 1.00 . A A . 6 ASN H 1 1 16 5116 1 1 6 ASN HA H -5.651 -0.553 -3.250 1.00 . A A . 6 ASN HA 1 1 16 5117 1 1 6 ASN HB2 H -6.646 1.243 -1.469 1.00 . A A . 6 ASN HB2 1 1 16 5118 1 1 6 ASN HB3 H -5.026 1.332 -0.876 1.00 . A A . 6 ASN HB3 1 1 16 5119 1 1 6 ASN HD21 H -5.927 3.065 -4.516 1.00 . A A . 6 ASN HD21 1 1 16 5120 1 1 6 ASN HD22 H -7.046 1.832 -3.747 1.00 . A A . 6 ASN HD22 1 1 16 5121 1 1 6 ASN N N -6.267 -1.247 -1.374 1.00 . A A . 6 ASN N 1 1 16 5122 1 1 6 ASN ND2 N -6.175 2.371 -3.803 1.00 . A A . 6 ASN ND2 1 1 16 5123 1 1 6 ASN O O -3.056 -0.297 -2.923 1.00 . A A . 6 ASN O 1 1 16 5124 1 1 6 ASN OD1 O -4.178 2.697 -2.888 1.00 . A A . 6 ASN OD1 1 1 16 5125 1 1 7 LYS C C -1.228 -0.195 -0.048 1.00 . A A . 7 LYS C 1 1 16 5126 1 1 7 LYS CA C -1.943 -1.490 -0.550 1.00 . A A . 7 LYS CA 1 1 16 5127 1 1 7 LYS CB C -1.125 -2.294 -1.593 1.00 . A A . 7 LYS CB 1 1 16 5128 1 1 7 LYS CD C -2.182 -4.700 -1.312 1.00 . A A . 7 LYS CD 1 1 16 5129 1 1 7 LYS CE C -1.023 -5.490 -0.667 1.00 . A A . 7 LYS CE 1 1 16 5130 1 1 7 LYS CG C -1.791 -3.531 -2.244 1.00 . A A . 7 LYS CG 1 1 16 5131 1 1 7 LYS H H -4.124 -1.690 -0.350 1.00 . A A . 7 LYS H 1 1 16 5132 1 1 7 LYS HA H -1.938 -2.096 0.387 1.00 . A A . 7 LYS HA 1 1 16 5133 1 1 7 LYS HB2 H -0.824 -1.600 -2.395 1.00 . A A . 7 LYS HB2 1 1 16 5134 1 1 7 LYS HB3 H -0.187 -2.608 -1.103 1.00 . A A . 7 LYS HB3 1 1 16 5135 1 1 7 LYS HD2 H -2.841 -4.310 -0.519 1.00 . A A . 7 LYS HD2 1 1 16 5136 1 1 7 LYS HD3 H -2.830 -5.401 -1.873 1.00 . A A . 7 LYS HD3 1 1 16 5137 1 1 7 LYS HE2 H -0.306 -4.810 -0.171 1.00 . A A . 7 LYS HE2 1 1 16 5138 1 1 7 LYS HE3 H -1.426 -6.133 0.136 1.00 . A A . 7 LYS HE3 1 1 16 5139 1 1 7 LYS HG2 H -2.705 -3.199 -2.773 1.00 . A A . 7 LYS HG2 1 1 16 5140 1 1 7 LYS HG3 H -1.131 -3.909 -3.044 1.00 . A A . 7 LYS HG3 1 1 16 5141 1 1 7 LYS HZ1 H 0.423 -6.862 -1.170 1.00 . A A . 7 LYS HZ1 1 1 16 5142 1 1 7 LYS HZ2 H -0.971 -6.994 -2.081 1.00 . A A . 7 LYS HZ2 1 1 16 5143 1 1 7 LYS HZ3 H 0.074 -5.777 -2.392 1.00 . A A . 7 LYS HZ3 1 1 16 5144 1 1 7 LYS N N -3.378 -1.229 -0.874 1.00 . A A . 7 LYS N 1 1 16 5145 1 1 7 LYS NZ N -0.313 -6.349 -1.633 1.00 . A A . 7 LYS NZ 1 1 16 5146 1 1 7 LYS O O -0.182 -0.336 0.588 1.00 . A A . 7 LYS O 1 1 16 5147 1 1 8 ASP C C -1.165 2.281 1.773 1.00 . A A . 8 ASP C 1 1 16 5148 1 1 8 ASP CA C -1.174 2.320 0.203 1.00 . A A . 8 ASP CA 1 1 16 5149 1 1 8 ASP CB C -1.896 3.524 -0.427 1.00 . A A . 8 ASP CB 1 1 16 5150 1 1 8 ASP CG C -1.262 4.889 -0.128 1.00 . A A . 8 ASP CG 1 1 16 5151 1 1 8 ASP H H -2.739 0.989 -0.594 1.00 . A A . 8 ASP H 1 1 16 5152 1 1 8 ASP HA H -0.147 2.391 -0.152 1.00 . A A . 8 ASP HA 1 1 16 5153 1 1 8 ASP HB2 H -1.936 3.407 -1.529 1.00 . A A . 8 ASP HB2 1 1 16 5154 1 1 8 ASP HB3 H -2.932 3.504 -0.078 1.00 . A A . 8 ASP HB3 1 1 16 5155 1 1 8 ASP HD2 H -2.552 4.982 1.326 1.00 . A A . 8 ASP HD2 1 1 16 5156 1 1 8 ASP N N -1.754 1.040 -0.302 1.00 . A A . 8 ASP N 1 1 16 5157 1 1 8 ASP O O -0.205 2.745 2.394 1.00 . A A . 8 ASP O 1 1 16 5158 1 1 8 ASP OD1 O -0.334 5.361 -0.784 1.00 . A A . 8 ASP OD1 1 1 16 5159 1 1 8 ASP OD2 O -1.845 5.510 0.946 1.00 . A A . 8 ASP OD2 1 1 16 5160 1 1 9 PHE C C -1.331 0.421 4.310 1.00 . A A . 9 PHE C 1 1 16 5161 1 1 9 PHE CA C -2.351 1.539 3.844 1.00 . A A . 9 PHE CA 1 1 16 5162 1 1 9 PHE CB C -3.799 1.261 4.298 1.00 . A A . 9 PHE CB 1 1 16 5163 1 1 9 PHE CD1 C -3.908 0.350 6.679 1.00 . A A . 9 PHE CD1 1 1 16 5164 1 1 9 PHE CD2 C -4.492 2.667 6.305 1.00 . A A . 9 PHE CD2 1 1 16 5165 1 1 9 PHE CE1 C -4.179 0.503 8.044 1.00 . A A . 9 PHE CE1 1 1 16 5166 1 1 9 PHE CE2 C -4.764 2.816 7.671 1.00 . A A . 9 PHE CE2 1 1 16 5167 1 1 9 PHE CG C -4.067 1.432 5.805 1.00 . A A . 9 PHE CG 1 1 16 5168 1 1 9 PHE CZ C -4.606 1.735 8.530 1.00 . A A . 9 PHE CZ 1 1 16 5169 1 1 9 PHE H H -2.984 1.454 1.739 1.00 . A A . 9 PHE H 1 1 16 5170 1 1 9 PHE HA H -2.106 2.506 4.248 1.00 . A A . 9 PHE HA 1 1 16 5171 1 1 9 PHE HB2 H -4.504 1.906 3.740 1.00 . A A . 9 PHE HB2 1 1 16 5172 1 1 9 PHE HB3 H -4.052 0.244 3.987 1.00 . A A . 9 PHE HB3 1 1 16 5173 1 1 9 PHE HD1 H -3.580 -0.600 6.268 1.00 . A A . 9 PHE HD1 1 1 16 5174 1 1 9 PHE HD2 H -4.611 3.491 5.608 1.00 . A A . 9 PHE HD2 1 1 16 5175 1 1 9 PHE HE1 H -4.075 -0.310 8.755 1.00 . A A . 9 PHE HE1 1 1 16 5176 1 1 9 PHE HE2 H -5.101 3.755 8.101 1.00 . A A . 9 PHE HE2 1 1 16 5177 1 1 9 PHE HZ H -4.819 1.850 9.584 1.00 . A A . 9 PHE HZ 1 1 16 5178 1 1 9 PHE N N -2.240 1.724 2.386 1.00 . A A . 9 PHE N 1 1 16 5179 1 1 9 PHE O O -0.728 0.583 5.372 1.00 . A A . 9 PHE O 1 1 16 5180 1 1 10 ILE C C 1.267 -1.352 3.410 1.00 . A A . 10 ILE C 1 1 16 5181 1 1 10 ILE CA C -0.190 -1.788 3.765 1.00 . A A . 10 ILE CA 1 1 16 5182 1 1 10 ILE CB C -0.687 -3.109 3.100 1.00 . A A . 10 ILE CB 1 1 16 5183 1 1 10 ILE CD1 C -2.884 -4.376 2.561 1.00 . A A . 10 ILE CD1 1 1 16 5184 1 1 10 ILE CG1 C -2.109 -3.525 3.563 1.00 . A A . 10 ILE CG1 1 1 16 5185 1 1 10 ILE CG2 C 0.291 -4.307 3.262 1.00 . A A . 10 ILE CG2 1 1 16 5186 1 1 10 ILE H H -1.920 -0.892 2.894 1.00 . A A . 10 ILE H 1 1 16 5187 1 1 10 ILE HA H -0.230 -2.021 4.820 1.00 . A A . 10 ILE HA 1 1 16 5188 1 1 10 ILE HB H -0.766 -2.893 2.043 1.00 . A A . 10 ILE HB 1 1 16 5189 1 1 10 ILE HD11 H -2.364 -5.319 2.325 1.00 . A A . 10 ILE HD11 1 1 16 5190 1 1 10 ILE HD12 H -3.888 -4.619 2.951 1.00 . A A . 10 ILE HD12 1 1 16 5191 1 1 10 ILE HD13 H -3.022 -3.815 1.621 1.00 . A A . 10 ILE HD13 1 1 16 5192 1 1 10 ILE HG12 H -2.002 -4.052 4.513 1.00 . A A . 10 ILE HG12 1 1 16 5193 1 1 10 ILE HG13 H -2.748 -2.647 3.777 1.00 . A A . 10 ILE HG13 1 1 16 5194 1 1 10 ILE HG21 H 1.284 -4.100 2.826 1.00 . A A . 10 ILE HG21 1 1 16 5195 1 1 10 ILE HG22 H -0.079 -5.218 2.754 1.00 . A A . 10 ILE HG22 1 1 16 5196 1 1 10 ILE HG23 H 0.451 -4.565 4.324 1.00 . A A . 10 ILE HG23 1 1 16 5197 1 1 10 ILE N N -1.139 -0.674 3.511 1.00 . A A . 10 ILE N 1 1 16 5198 1 1 10 ILE O O 1.845 -1.629 2.357 1.00 . A A . 10 ILE O 1 1 16 5199 1 1 11 ASN C C 3.627 0.777 3.263 1.00 . A A . 11 ASN C 1 1 16 5200 1 1 11 ASN CA C 3.156 -0.073 4.513 1.00 . A A . 11 ASN CA 1 1 16 5201 1 1 11 ASN CB C 4.065 -1.242 4.960 1.00 . A A . 11 ASN CB 1 1 16 5202 1 1 11 ASN CG C 5.433 -0.865 5.572 1.00 . A A . 11 ASN CG 1 1 16 5203 1 1 11 ASN H H 1.014 -0.513 5.061 1.00 . A A . 11 ASN H 1 1 16 5204 1 1 11 ASN HA H 3.209 0.551 5.431 1.00 . A A . 11 ASN HA 1 1 16 5205 1 1 11 ASN HB2 H 3.514 -1.867 5.695 1.00 . A A . 11 ASN HB2 1 1 16 5206 1 1 11 ASN HB3 H 4.194 -1.887 4.092 1.00 . A A . 11 ASN HB3 1 1 16 5207 1 1 11 ASN HD21 H 6.406 -0.419 7.270 1.00 . A A . 11 ASN HD21 1 1 16 5208 1 1 11 ASN HD22 H 4.610 -0.779 7.396 1.00 . A A . 11 ASN HD22 1 1 16 5209 1 1 11 ASN N N 1.785 -0.644 4.411 1.00 . A A . 11 ASN N 1 1 16 5210 1 1 11 ASN ND2 N 5.489 -0.664 6.879 1.00 . A A . 11 ASN ND2 1 1 16 5211 1 1 11 ASN O O 4.808 0.716 2.907 1.00 . A A . 11 ASN O 1 1 16 5212 1 1 11 ASN OD1 O 6.449 -0.756 4.886 1.00 . A A . 11 ASN OD1 1 1 16 5213 1 1 12 ASN C C 3.345 1.564 0.152 1.00 . A A . 12 ASN C 1 1 16 5214 1 1 12 ASN CA C 3.062 2.418 1.420 1.00 . A A . 12 ASN CA 1 1 16 5215 1 1 12 ASN CB C 4.036 3.553 1.786 1.00 . A A . 12 ASN CB 1 1 16 5216 1 1 12 ASN CG C 4.365 4.570 0.685 1.00 . A A . 12 ASN CG 1 1 16 5217 1 1 12 ASN H H 1.734 1.463 2.736 1.00 . A A . 12 ASN H 1 1 16 5218 1 1 12 ASN HA H 2.153 2.986 1.207 1.00 . A A . 12 ASN HA 1 1 16 5219 1 1 12 ASN HB2 H 3.662 4.069 2.697 1.00 . A A . 12 ASN HB2 1 1 16 5220 1 1 12 ASN HB3 H 4.947 3.117 2.132 1.00 . A A . 12 ASN HB3 1 1 16 5221 1 1 12 ASN HD21 H 3.955 6.497 0.264 1.00 . A A . 12 ASN HD21 1 1 16 5222 1 1 12 ASN HD22 H 3.206 5.600 1.715 1.00 . A A . 12 ASN HD22 1 1 16 5223 1 1 12 ASN N N 2.740 1.580 2.601 1.00 . A A . 12 ASN N 1 1 16 5224 1 1 12 ASN ND2 N 3.679 5.673 0.808 1.00 . A A . 12 ASN ND2 1 1 16 5225 1 1 12 ASN O O 4.464 1.532 -0.364 1.00 . A A . 12 ASN O 1 1 16 5226 1 1 12 ASN OD1 O 5.201 4.388 -0.199 1.00 . A A . 12 ASN OD1 1 1 16 5227 1 1 13 LYS C C 3.132 -1.244 -1.429 1.00 . A A . 13 LYS C 1 1 16 5228 1 1 13 LYS CA C 2.294 0.049 -1.568 1.00 . A A . 13 LYS CA 1 1 16 5229 1 1 13 LYS CB C 2.556 0.874 -2.860 1.00 . A A . 13 LYS CB 1 1 16 5230 1 1 13 LYS CD C 0.101 1.618 -3.447 1.00 . A A . 13 LYS CD 1 1 16 5231 1 1 13 LYS CE C -0.162 0.848 -4.758 1.00 . A A . 13 LYS CE 1 1 16 5232 1 1 13 LYS CG C 1.564 2.026 -3.153 1.00 . A A . 13 LYS CG 1 1 16 5233 1 1 13 LYS H H 1.444 0.901 0.258 1.00 . A A . 13 LYS H 1 1 16 5234 1 1 13 LYS HA H 1.269 -0.318 -1.660 1.00 . A A . 13 LYS HA 1 1 16 5235 1 1 13 LYS HB2 H 3.575 1.296 -2.811 1.00 . A A . 13 LYS HB2 1 1 16 5236 1 1 13 LYS HB3 H 2.568 0.188 -3.726 1.00 . A A . 13 LYS HB3 1 1 16 5237 1 1 13 LYS HD2 H -0.268 1.006 -2.608 1.00 . A A . 13 LYS HD2 1 1 16 5238 1 1 13 LYS HD3 H -0.531 2.525 -3.415 1.00 . A A . 13 LYS HD3 1 1 16 5239 1 1 13 LYS HE2 H 0.458 -0.065 -4.806 1.00 . A A . 13 LYS HE2 1 1 16 5240 1 1 13 LYS HE3 H -1.209 0.496 -4.767 1.00 . A A . 13 LYS HE3 1 1 16 5241 1 1 13 LYS HG2 H 1.563 2.721 -2.290 1.00 . A A . 13 LYS HG2 1 1 16 5242 1 1 13 LYS HG3 H 1.953 2.629 -3.991 1.00 . A A . 13 LYS HG3 1 1 16 5243 1 1 13 LYS HZ1 H -0.135 1.121 -6.797 1.00 . A A . 13 LYS HZ1 1 1 16 5244 1 1 13 LYS HZ2 H 1.032 2.001 -5.988 1.00 . A A . 13 LYS HZ2 1 1 16 5245 1 1 13 LYS HZ3 H -0.522 2.503 -5.942 1.00 . A A . 13 LYS HZ3 1 1 16 5246 1 1 13 LYS N N 2.284 0.892 -0.340 1.00 . A A . 13 LYS N 1 1 16 5247 1 1 13 LYS NZ N 0.065 1.662 -5.969 1.00 . A A . 13 LYS NZ 1 1 16 5248 1 1 13 LYS O O 4.180 -1.399 -2.064 1.00 . A A . 13 LYS O 1 1 16 5249 1 1 14 HIS C C 4.727 -3.341 0.147 1.00 . A A . 14 HIS C 1 1 16 5250 1 1 14 HIS CA C 3.244 -3.507 -0.300 1.00 . A A . 14 HIS CA 1 1 16 5251 1 1 14 HIS CB C 3.002 -4.521 -1.450 1.00 . A A . 14 HIS CB 1 1 16 5252 1 1 14 HIS CD2 C 3.750 -6.997 -1.770 1.00 . A A . 14 HIS CD2 1 1 16 5253 1 1 14 HIS CE1 C 3.205 -7.744 0.121 1.00 . A A . 14 HIS CE1 1 1 16 5254 1 1 14 HIS CG C 3.199 -5.964 -0.994 1.00 . A A . 14 HIS CG 1 1 16 5255 1 1 14 HIS H H 1.754 -1.881 -0.128 1.00 . A A . 14 HIS H 1 1 16 5256 1 1 14 HIS HA H 2.702 -3.906 0.570 1.00 . A A . 14 HIS HA 1 1 16 5257 1 1 14 HIS HB2 H 1.970 -4.426 -1.836 1.00 . A A . 14 HIS HB2 1 1 16 5258 1 1 14 HIS HB3 H 3.656 -4.287 -2.313 1.00 . A A . 14 HIS HB3 1 1 16 5259 1 1 14 HIS HD2 H 4.107 -6.895 -2.784 1.00 . A A . 14 HIS HD2 1 1 16 5260 1 1 14 HIS HE1 H 3.062 -8.437 0.938 1.00 . A A . 14 HIS HE1 1 1 16 5261 1 1 14 HIS HE2 H 4.093 -9.111 -1.321 1.00 . A A . 14 HIS HE2 1 1 16 5262 1 1 14 HIS N N 2.613 -2.183 -0.602 1.00 . A A . 14 HIS N 1 1 16 5263 1 1 14 HIS ND1 N 2.829 -6.430 0.264 1.00 . A A . 14 HIS ND1 1 1 16 5264 1 1 14 HIS NE2 N 3.764 -8.176 -1.051 1.00 . A A . 14 HIS NE2 1 1 16 5265 1 1 14 HIS O O 5.640 -3.890 -0.479 1.00 . A A . 14 HIS O 1 1 16 5266 1 1 15 LEU C C 7.198 -1.553 0.726 1.00 . A A . 15 LEU C 1 1 16 5267 1 1 15 LEU CA C 6.297 -2.278 1.794 1.00 . A A . 15 LEU CA 1 1 16 5268 1 1 15 LEU CB C 6.973 -3.529 2.451 1.00 . A A . 15 LEU CB 1 1 16 5269 1 1 15 LEU CD1 C 5.090 -5.188 3.173 1.00 . A A . 15 LEU CD1 1 1 16 5270 1 1 15 LEU CD2 C 7.328 -5.227 4.288 1.00 . A A . 15 LEU CD2 1 1 16 5271 1 1 15 LEU CG C 6.276 -4.284 3.635 1.00 . A A . 15 LEU CG 1 1 16 5272 1 1 15 LEU H H 4.109 -2.196 1.699 1.00 . A A . 15 LEU H 1 1 16 5273 1 1 15 LEU HA H 6.155 -1.520 2.573 1.00 . A A . 15 LEU HA 1 1 16 5274 1 1 15 LEU HB2 H 7.225 -4.254 1.653 1.00 . A A . 15 LEU HB2 1 1 16 5275 1 1 15 LEU HB3 H 7.962 -3.180 2.808 1.00 . A A . 15 LEU HB3 1 1 16 5276 1 1 15 LEU HD11 H 4.700 -5.838 3.981 1.00 . A A . 15 LEU HD11 1 1 16 5277 1 1 15 LEU HD12 H 5.370 -5.875 2.347 1.00 . A A . 15 LEU HD12 1 1 16 5278 1 1 15 LEU HD13 H 4.215 -4.619 2.809 1.00 . A A . 15 LEU HD13 1 1 16 5279 1 1 15 LEU HD21 H 6.922 -5.801 5.142 1.00 . A A . 15 LEU HD21 1 1 16 5280 1 1 15 LEU HD22 H 8.213 -4.684 4.670 1.00 . A A . 15 LEU HD22 1 1 16 5281 1 1 15 LEU HD23 H 7.722 -5.982 3.575 1.00 . A A . 15 LEU HD23 1 1 16 5282 1 1 15 LEU HG H 5.918 -3.530 4.396 1.00 . A A . 15 LEU HG 1 1 16 5283 1 1 15 LEU N N 4.946 -2.568 1.240 1.00 . A A . 15 LEU N 1 1 16 5284 1 1 15 LEU O O 8.402 -1.816 0.653 1.00 . A A . 15 LEU O 1 1 16 5285 1 1 16 ASN C C 8.055 -0.843 -2.142 1.00 . A A . 16 ASN C 1 1 16 5286 1 1 16 ASN CA C 7.330 0.138 -1.162 1.00 . A A . 16 ASN CA 1 1 16 5287 1 1 16 ASN CB C 8.117 1.293 -0.535 1.00 . A A . 16 ASN CB 1 1 16 5288 1 1 16 ASN CG C 8.734 2.302 -1.508 1.00 . A A . 16 ASN CG 1 1 16 5289 1 1 16 ASN H H 5.617 -0.432 0.060 1.00 . A A . 16 ASN H 1 1 16 5290 1 1 16 ASN HA H 6.569 0.674 -1.739 1.00 . A A . 16 ASN HA 1 1 16 5291 1 1 16 ASN HB2 H 7.446 1.792 0.198 1.00 . A A . 16 ASN HB2 1 1 16 5292 1 1 16 ASN HB3 H 8.903 0.906 0.081 1.00 . A A . 16 ASN HB3 1 1 16 5293 1 1 16 ASN HD21 H 8.438 4.220 -2.061 1.00 . A A . 16 ASN HD21 1 1 16 5294 1 1 16 ASN HD22 H 7.302 3.320 -0.887 1.00 . A A . 16 ASN HD22 1 1 16 5295 1 1 16 ASN N N 6.618 -0.619 -0.091 1.00 . A A . 16 ASN N 1 1 16 5296 1 1 16 ASN ND2 N 8.031 3.396 -1.605 1.00 . A A . 16 ASN ND2 1 1 16 5297 1 1 16 ASN O O 9.285 -0.842 -2.259 1.00 . A A . 16 ASN O 1 1 16 5298 1 1 16 ASN OD1 O 9.796 2.124 -2.105 1.00 . A A . 16 ASN OD1 1 1 16 5299 1 1 17 GLU C C 8.747 -3.740 -3.156 1.00 . A A . 17 GLU C 1 1 16 5300 1 1 17 GLU CA C 7.689 -2.750 -3.739 1.00 . A A . 17 GLU CA 1 1 16 5301 1 1 17 GLU CB C 7.972 -2.144 -5.116 1.00 . A A . 17 GLU CB 1 1 16 5302 1 1 17 GLU CD C 7.035 -0.846 -7.131 1.00 . A A . 17 GLU CD 1 1 16 5303 1 1 17 GLU CG C 6.764 -1.411 -5.736 1.00 . A A . 17 GLU CG 1 1 16 5304 1 1 17 GLU H H 6.278 -1.452 -2.937 1.00 . A A . 17 GLU H 1 1 16 5305 1 1 17 GLU HA H 6.786 -3.327 -3.952 1.00 . A A . 17 GLU HA 1 1 16 5306 1 1 17 GLU HB2 H 8.854 -1.500 -5.054 1.00 . A A . 17 GLU HB2 1 1 16 5307 1 1 17 GLU HB3 H 8.221 -2.980 -5.766 1.00 . A A . 17 GLU HB3 1 1 16 5308 1 1 17 GLU HE2 H 6.462 -2.597 -7.764 1.00 . A A . 17 GLU HE2 1 1 16 5309 1 1 17 GLU HG2 H 5.885 -2.079 -5.741 1.00 . A A . 17 GLU HG2 1 1 16 5310 1 1 17 GLU HG3 H 6.462 -0.605 -5.054 1.00 . A A . 17 GLU HG3 1 1 16 5311 1 1 17 GLU N N 7.250 -1.725 -2.782 1.00 . A A . 17 GLU N 1 1 16 5312 1 1 17 GLU O O 9.901 -3.769 -3.592 1.00 . A A . 17 GLU O 1 1 16 5313 1 1 17 GLU OE1 O 7.444 0.297 -7.333 1.00 . A A . 17 GLU OE1 1 1 16 5314 1 1 17 GLU OE2 O 6.772 -1.761 -8.120 1.00 . A A . 17 GLU OE2 1 1 16 5315 1 1 18 HIS C C 10.390 -4.954 -0.720 1.00 . A A . 18 HIS C 1 1 16 5316 1 1 18 HIS CA C 9.126 -5.543 -1.421 1.00 . A A . 18 HIS CA 1 1 16 5317 1 1 18 HIS CB C 9.362 -6.752 -2.354 1.00 . A A . 18 HIS CB 1 1 16 5318 1 1 18 HIS CD2 C 10.143 -9.189 -2.385 1.00 . A A . 18 HIS CD2 1 1 16 5319 1 1 18 HIS CE1 C 10.411 -9.531 -0.329 1.00 . A A . 18 HIS CE1 1 1 16 5320 1 1 18 HIS CG C 9.851 -8.022 -1.674 1.00 . A A . 18 HIS CG 1 1 16 5321 1 1 18 HIS H H 7.308 -4.499 -1.972 1.00 . A A . 18 HIS H 1 1 16 5322 1 1 18 HIS HA H 8.459 -5.937 -0.630 1.00 . A A . 18 HIS HA 1 1 16 5323 1 1 18 HIS HB2 H 8.411 -7.003 -2.863 1.00 . A A . 18 HIS HB2 1 1 16 5324 1 1 18 HIS HB3 H 10.048 -6.464 -3.168 1.00 . A A . 18 HIS HB3 1 1 16 5325 1 1 18 HIS HD2 H 10.042 -9.275 -3.456 1.00 . A A . 18 HIS HD2 1 1 16 5326 1 1 18 HIS HE1 H 10.631 -10.042 0.597 1.00 . A A . 18 HIS HE1 1 1 16 5327 1 1 18 HIS HE2 H 10.781 -11.172 -1.713 1.00 . A A . 18 HIS HE2 1 1 16 5328 1 1 18 HIS N N 8.316 -4.522 -2.134 1.00 . A A . 18 HIS N 1 1 16 5329 1 1 18 HIS ND1 N 10.008 -8.216 -0.306 1.00 . A A . 18 HIS ND1 1 1 16 5330 1 1 18 HIS NE2 N 10.522 -10.197 -1.521 1.00 . A A . 18 HIS NE2 1 1 16 5331 1 1 18 HIS O O 11.453 -4.837 -1.336 1.00 . A A . 18 HIS O 1 1 16 5332 1 1 19 ALA C C 11.737 -2.621 1.078 1.00 . A A . 19 ALA C 1 1 16 5333 1 1 19 ALA CA C 11.319 -4.070 1.451 1.00 . A A . 19 ALA CA 1 1 16 5334 1 1 19 ALA CB C 12.539 -5.009 1.593 1.00 . A A . 19 ALA CB 1 1 16 5335 1 1 19 ALA H H 9.279 -4.701 0.928 1.00 . A A . 19 ALA H 1 1 16 5336 1 1 19 ALA HA H 10.868 -4.052 2.464 1.00 . A A . 19 ALA HA 1 1 16 5337 1 1 19 ALA HB1 H 13.244 -4.640 2.362 1.00 . A A . 19 ALA HB1 1 1 16 5338 1 1 19 ALA HB2 H 13.111 -5.107 0.652 1.00 . A A . 19 ALA HB2 1 1 16 5339 1 1 19 ALA HB3 H 12.237 -6.028 1.900 1.00 . A A . 19 ALA HB3 1 1 16 5340 1 1 19 ALA N N 10.239 -4.608 0.577 1.00 . A A . 19 ALA N 1 1 16 5341 1 1 19 ALA O O 12.408 -2.397 0.065 1.00 . A A . 19 ALA O 1 1 16 5342 1 1 20 HIS C C 13.148 0.073 2.185 1.00 . A A . 20 HIS C 1 1 16 5343 1 1 20 HIS CA C 11.682 -0.215 1.741 1.00 . A A . 20 HIS CA 1 1 16 5344 1 1 20 HIS CB C 10.643 0.641 2.511 1.00 . A A . 20 HIS CB 1 1 16 5345 1 1 20 HIS CD2 C 9.747 3.037 2.704 1.00 . A A . 20 HIS CD2 1 1 16 5346 1 1 20 HIS CE1 C 10.834 3.972 1.169 1.00 . A A . 20 HIS CE1 1 1 16 5347 1 1 20 HIS CG C 10.616 2.112 2.115 1.00 . A A . 20 HIS CG 1 1 16 5348 1 1 20 HIS H H 10.669 -1.942 2.627 1.00 . A A . 20 HIS H 1 1 16 5349 1 1 20 HIS HXT H 14.943 0.602 1.634 1.00 . A A . 20 HIS HXT 1 1 16 5350 1 1 20 HIS HA H 11.535 0.014 0.672 1.00 . A A . 20 HIS HA 1 1 16 5351 1 1 20 HIS HB2 H 9.620 0.250 2.346 1.00 . A A . 20 HIS HB2 1 1 16 5352 1 1 20 HIS HB3 H 10.800 0.563 3.603 1.00 . A A . 20 HIS HB3 1 1 16 5353 1 1 20 HIS HD2 H 9.052 2.788 3.492 1.00 . A A . 20 HIS HD2 1 1 16 5354 1 1 20 HIS HE1 H 11.174 4.735 0.485 1.00 . A A . 20 HIS HE1 1 1 16 5355 1 1 20 HIS HE2 H 9.375 5.150 2.278 1.00 . A A . 20 HIS HE2 1 1 16 5356 1 1 20 HIS N N 11.356 -1.649 1.930 1.00 . A A . 20 HIS N 1 1 16 5357 1 1 20 HIS ND1 N 11.344 2.699 1.086 1.00 . A A . 20 HIS ND1 1 1 16 5358 1 1 20 HIS NE2 N 9.877 4.272 2.103 1.00 . A A . 20 HIS NE2 1 1 16 5359 1 1 20 HIS O O 13.508 -0.028 3.360 1.00 . A A . 20 HIS O 1 1 16 5360 1 1 20 HIS OXT O 14.091 0.460 1.215 1.00 . A A . 20 HIS OXT 1 1 17 5361 1 1 1 SER C C -1.736 9.709 6.757 1.00 . A A . 1 SER C 1 1 17 5362 1 1 1 SER CA C -0.198 9.978 6.846 1.00 . A A . 1 SER CA 1 1 17 5363 1 1 1 SER CB C 0.217 11.400 6.443 1.00 . A A . 1 SER CB 1 1 17 5364 1 1 1 SER H1 H 1.235 9.801 5.787 1.00 . A A . 1 SER H1 1 1 17 5365 1 1 1 SER H2 H 1.374 8.524 6.411 1.00 . A A . 1 SER H2 1 1 17 5366 1 1 1 SER H3 H 0.345 8.964 5.049 1.00 . A A . 1 SER H3 1 1 17 5367 1 1 1 SER HA H 0.086 9.873 7.881 1.00 . A A . 1 SER HA 1 1 17 5368 1 1 1 SER HB2 H 1.304 11.455 6.243 1.00 . A A . 1 SER HB2 1 1 17 5369 1 1 1 SER HB3 H -0.290 11.655 5.507 1.00 . A A . 1 SER HB3 1 1 17 5370 1 1 1 SER HG H 0.346 12.084 8.235 1.00 . A A . 1 SER HG 1 1 17 5371 1 1 1 SER N N 0.604 9.048 6.020 1.00 . A A . 1 SER N 1 1 17 5372 1 1 1 SER O O -2.534 10.641 6.604 1.00 . A A . 1 SER O 1 1 17 5373 1 1 1 SER OG O -0.135 12.345 7.447 1.00 . A A . 1 SER OG 1 1 17 5374 1 1 2 ASP C C -3.927 6.843 7.859 1.00 . A A . 2 ASP C 1 1 17 5375 1 1 2 ASP CA C -3.563 7.993 6.840 1.00 . A A . 2 ASP CA 1 1 17 5376 1 1 2 ASP CB C -3.906 7.669 5.350 1.00 . A A . 2 ASP CB 1 1 17 5377 1 1 2 ASP CG C -4.500 8.849 4.565 1.00 . A A . 2 ASP CG 1 1 17 5378 1 1 2 ASP H H -1.434 7.720 6.949 1.00 . A A . 2 ASP H 1 1 17 5379 1 1 2 ASP HA H -4.171 8.835 7.193 1.00 . A A . 2 ASP HA 1 1 17 5380 1 1 2 ASP HB2 H -3.045 7.268 4.782 1.00 . A A . 2 ASP HB2 1 1 17 5381 1 1 2 ASP HB3 H -4.601 6.826 5.312 1.00 . A A . 2 ASP HB3 1 1 17 5382 1 1 2 ASP HD2 H -2.721 9.005 3.788 1.00 . A A . 2 ASP HD2 1 1 17 5383 1 1 2 ASP N N -2.151 8.432 6.885 1.00 . A A . 2 ASP N 1 1 17 5384 1 1 2 ASP O O -4.913 6.133 7.662 1.00 . A A . 2 ASP O 1 1 17 5385 1 1 2 ASP OD1 O -5.665 9.225 4.678 1.00 . A A . 2 ASP OD1 1 1 17 5386 1 1 2 ASP OD2 O -3.577 9.436 3.737 1.00 . A A . 2 ASP OD2 1 1 17 5387 1 1 3 THR C C -4.072 4.372 9.835 1.00 . A A . 3 THR C 1 1 17 5388 1 1 3 THR CA C -3.340 5.735 10.067 1.00 . A A . 3 THR CA 1 1 17 5389 1 1 3 THR CB C -3.767 6.706 11.250 1.00 . A A . 3 THR CB 1 1 17 5390 1 1 3 THR CG2 C -5.227 7.207 11.180 1.00 . A A . 3 THR CG2 1 1 17 5391 1 1 3 THR H H -2.913 7.574 9.383 1.00 . A A . 3 THR H 1 1 17 5392 1 1 3 THR HA H -2.324 5.407 10.297 1.00 . A A . 3 THR HA 1 1 17 5393 1 1 3 THR HB H -3.113 7.602 11.267 1.00 . A A . 3 THR HB 1 1 17 5394 1 1 3 THR HG1 H -2.630 5.848 12.542 1.00 . A A . 3 THR HG1 1 1 17 5395 1 1 3 THR HG21 H -5.956 6.379 11.222 1.00 . A A . 3 THR HG21 1 1 17 5396 1 1 3 THR HG22 H -5.420 7.750 10.238 1.00 . A A . 3 THR HG22 1 1 17 5397 1 1 3 THR HG23 H -5.454 7.895 12.011 1.00 . A A . 3 THR HG23 1 1 17 5398 1 1 3 THR N N -3.168 6.692 8.964 1.00 . A A . 3 THR N 1 1 17 5399 1 1 3 THR O O -3.952 3.691 8.816 1.00 . A A . 3 THR O 1 1 17 5400 1 1 3 THR OG1 O -3.559 6.084 12.513 1.00 . A A . 3 THR OG1 1 1 17 5401 1 1 4 ARG C C -6.974 2.922 10.266 1.00 . A A . 4 ARG C 1 1 17 5402 1 1 4 ARG CA C -5.627 2.820 11.030 1.00 . A A . 4 ARG CA 1 1 17 5403 1 1 4 ARG CB C -5.907 2.553 12.536 1.00 . A A . 4 ARG CB 1 1 17 5404 1 1 4 ARG CD C -3.719 3.121 13.885 1.00 . A A . 4 ARG CD 1 1 17 5405 1 1 4 ARG CG C -4.719 2.040 13.384 1.00 . A A . 4 ARG CG 1 1 17 5406 1 1 4 ARG CZ C -1.739 3.209 15.420 1.00 . A A . 4 ARG CZ 1 1 17 5407 1 1 4 ARG H H -4.682 4.770 11.571 1.00 . A A . 4 ARG H 1 1 17 5408 1 1 4 ARG HA H -5.044 1.987 10.612 1.00 . A A . 4 ARG HA 1 1 17 5409 1 1 4 ARG HB2 H -6.366 3.437 13.024 1.00 . A A . 4 ARG HB2 1 1 17 5410 1 1 4 ARG HB3 H -6.699 1.781 12.610 1.00 . A A . 4 ARG HB3 1 1 17 5411 1 1 4 ARG HD2 H -3.166 3.589 13.045 1.00 . A A . 4 ARG HD2 1 1 17 5412 1 1 4 ARG HD3 H -4.242 3.969 14.380 1.00 . A A . 4 ARG HD3 1 1 17 5413 1 1 4 ARG HE H -2.829 1.545 15.041 1.00 . A A . 4 ARG HE 1 1 17 5414 1 1 4 ARG HG2 H -5.160 1.506 14.248 1.00 . A A . 4 ARG HG2 1 1 17 5415 1 1 4 ARG HG3 H -4.198 1.243 12.813 1.00 . A A . 4 ARG HG3 1 1 17 5416 1 1 4 ARG HH11 H -1.139 1.553 16.371 1.00 . A A . 4 ARG HH11 1 1 17 5417 1 1 4 ARG HH12 H -0.186 3.090 16.679 1.00 . A A . 4 ARG HH12 1 1 17 5418 1 1 4 ARG HH21 H -0.713 4.912 15.740 1.00 . A A . 4 ARG HH21 1 1 17 5419 1 1 4 ARG HH22 H -2.140 4.998 14.591 1.00 . A A . 4 ARG HH22 1 1 17 5420 1 1 4 ARG N N -4.776 4.015 10.891 1.00 . A A . 4 ARG N 1 1 17 5421 1 1 4 ARG NE N -2.740 2.528 14.828 1.00 . A A . 4 ARG NE 1 1 17 5422 1 1 4 ARG NH1 N -0.940 2.551 16.241 1.00 . A A . 4 ARG NH1 1 1 17 5423 1 1 4 ARG NH2 N -1.506 4.507 15.230 1.00 . A A . 4 ARG NH2 1 1 17 5424 1 1 4 ARG O O -7.324 1.998 9.529 1.00 . A A . 4 ARG O 1 1 17 5425 1 1 5 TYR C C -8.887 4.407 8.220 1.00 . A A . 5 TYR C 1 1 17 5426 1 1 5 TYR CA C -9.007 4.299 9.773 1.00 . A A . 5 TYR CA 1 1 17 5427 1 1 5 TYR CB C -9.794 5.483 10.400 1.00 . A A . 5 TYR CB 1 1 17 5428 1 1 5 TYR CD1 C -11.524 6.638 8.918 1.00 . A A . 5 TYR CD1 1 1 17 5429 1 1 5 TYR CD2 C -12.279 4.889 10.402 1.00 . A A . 5 TYR CD2 1 1 17 5430 1 1 5 TYR CE1 C -12.826 6.803 8.450 1.00 . A A . 5 TYR CE1 1 1 17 5431 1 1 5 TYR CE2 C -13.581 5.055 9.935 1.00 . A A . 5 TYR CE2 1 1 17 5432 1 1 5 TYR CG C -11.240 5.679 9.897 1.00 . A A . 5 TYR CG 1 1 17 5433 1 1 5 TYR CZ C -13.855 6.012 8.959 1.00 . A A . 5 TYR CZ 1 1 17 5434 1 1 5 TYR H H -7.237 4.709 11.061 1.00 . A A . 5 TYR H 1 1 17 5435 1 1 5 TYR HA H -9.626 3.440 9.994 1.00 . A A . 5 TYR HA 1 1 17 5436 1 1 5 TYR HB2 H -9.841 5.385 11.504 1.00 . A A . 5 TYR HB2 1 1 17 5437 1 1 5 TYR HB3 H -9.218 6.396 10.219 1.00 . A A . 5 TYR HB3 1 1 17 5438 1 1 5 TYR HD1 H -10.738 7.257 8.511 1.00 . A A . 5 TYR HD1 1 1 17 5439 1 1 5 TYR HD2 H -12.080 4.138 11.155 1.00 . A A . 5 TYR HD2 1 1 17 5440 1 1 5 TYR HE1 H -13.034 7.544 7.693 1.00 . A A . 5 TYR HE1 1 1 17 5441 1 1 5 TYR HE2 H -14.376 4.439 10.331 1.00 . A A . 5 TYR HE2 1 1 17 5442 1 1 5 TYR HH H -15.145 6.868 7.835 1.00 . A A . 5 TYR HH 1 1 17 5443 1 1 5 TYR N N -7.716 4.033 10.465 1.00 . A A . 5 TYR N 1 1 17 5444 1 1 5 TYR O O -9.684 3.775 7.521 1.00 . A A . 5 TYR O 1 1 17 5445 1 1 5 TYR OH O -15.138 6.175 8.498 1.00 . A A . 5 TYR OH 1 1 17 5446 1 1 6 ASN C C -6.574 4.432 5.621 1.00 . A A . 6 ASN C 1 1 17 5447 1 1 6 ASN CA C -7.686 5.350 6.246 1.00 . A A . 6 ASN CA 1 1 17 5448 1 1 6 ASN CB C -7.516 6.850 5.861 1.00 . A A . 6 ASN CB 1 1 17 5449 1 1 6 ASN CG C -8.706 7.786 6.163 1.00 . A A . 6 ASN CG 1 1 17 5450 1 1 6 ASN H H -7.281 5.593 8.385 1.00 . A A . 6 ASN H 1 1 17 5451 1 1 6 ASN HA H -8.609 5.042 5.764 1.00 . A A . 6 ASN HA 1 1 17 5452 1 1 6 ASN HB2 H -6.619 7.267 6.348 1.00 . A A . 6 ASN HB2 1 1 17 5453 1 1 6 ASN HB3 H -7.283 6.929 4.778 1.00 . A A . 6 ASN HB3 1 1 17 5454 1 1 6 ASN HD21 H -10.512 8.413 5.554 1.00 . A A . 6 ASN HD21 1 1 17 5455 1 1 6 ASN HD22 H -9.672 7.147 4.526 1.00 . A A . 6 ASN HD22 1 1 17 5456 1 1 6 ASN N N -7.918 5.194 7.703 1.00 . A A . 6 ASN N 1 1 17 5457 1 1 6 ASN ND2 N -9.735 7.782 5.330 1.00 . A A . 6 ASN ND2 1 1 17 5458 1 1 6 ASN O O -6.193 4.682 4.472 1.00 . A A . 6 ASN O 1 1 17 5459 1 1 6 ASN OD1 O -8.704 8.521 7.151 1.00 . A A . 6 ASN OD1 1 1 17 5460 1 1 7 LYS C C -3.564 2.896 5.602 1.00 . A A . 7 LYS C 1 1 17 5461 1 1 7 LYS CA C -5.030 2.434 5.754 1.00 . A A . 7 LYS CA 1 1 17 5462 1 1 7 LYS CB C -5.552 1.698 4.484 1.00 . A A . 7 LYS CB 1 1 17 5463 1 1 7 LYS CD C -7.311 0.165 5.693 1.00 . A A . 7 LYS CD 1 1 17 5464 1 1 7 LYS CE C -8.431 0.680 6.612 1.00 . A A . 7 LYS CE 1 1 17 5465 1 1 7 LYS CG C -6.987 1.114 4.513 1.00 . A A . 7 LYS CG 1 1 17 5466 1 1 7 LYS H H -6.461 3.172 7.221 1.00 . A A . 7 LYS H 1 1 17 5467 1 1 7 LYS HA H -4.913 1.605 6.448 1.00 . A A . 7 LYS HA 1 1 17 5468 1 1 7 LYS HB2 H -5.463 2.363 3.605 1.00 . A A . 7 LYS HB2 1 1 17 5469 1 1 7 LYS HB3 H -4.865 0.858 4.297 1.00 . A A . 7 LYS HB3 1 1 17 5470 1 1 7 LYS HD2 H -7.597 -0.819 5.285 1.00 . A A . 7 LYS HD2 1 1 17 5471 1 1 7 LYS HD3 H -6.407 -0.026 6.303 1.00 . A A . 7 LYS HD3 1 1 17 5472 1 1 7 LYS HE2 H -8.127 1.634 7.076 1.00 . A A . 7 LYS HE2 1 1 17 5473 1 1 7 LYS HE3 H -9.341 0.898 6.025 1.00 . A A . 7 LYS HE3 1 1 17 5474 1 1 7 LYS HG2 H -7.709 1.952 4.477 1.00 . A A . 7 LYS HG2 1 1 17 5475 1 1 7 LYS HG3 H -7.155 0.574 3.565 1.00 . A A . 7 LYS HG3 1 1 17 5476 1 1 7 LYS HZ1 H -9.075 -1.158 7.273 1.00 . A A . 7 LYS HZ1 1 1 17 5477 1 1 7 LYS HZ2 H -9.483 0.103 8.292 1.00 . A A . 7 LYS HZ2 1 1 17 5478 1 1 7 LYS HZ3 H -7.942 -0.443 8.272 1.00 . A A . 7 LYS HZ3 1 1 17 5479 1 1 7 LYS N N -6.048 3.379 6.309 1.00 . A A . 7 LYS N 1 1 17 5480 1 1 7 LYS NZ N -8.760 -0.286 7.676 1.00 . A A . 7 LYS NZ 1 1 17 5481 1 1 7 LYS O O -2.737 2.007 5.377 1.00 . A A . 7 LYS O 1 1 17 5482 1 1 8 ASP C C -1.227 4.199 4.202 1.00 . A A . 8 ASP C 1 1 17 5483 1 1 8 ASP CA C -1.735 4.653 5.623 1.00 . A A . 8 ASP CA 1 1 17 5484 1 1 8 ASP CB C -1.007 4.251 6.922 1.00 . A A . 8 ASP CB 1 1 17 5485 1 1 8 ASP CG C 0.523 4.348 6.956 1.00 . A A . 8 ASP CG 1 1 17 5486 1 1 8 ASP H H -3.860 4.707 6.335 1.00 . A A . 8 ASP H 1 1 17 5487 1 1 8 ASP HA H -1.600 5.747 5.634 1.00 . A A . 8 ASP HA 1 1 17 5488 1 1 8 ASP HB2 H -1.394 4.893 7.739 1.00 . A A . 8 ASP HB2 1 1 17 5489 1 1 8 ASP HB3 H -1.345 3.244 7.184 1.00 . A A . 8 ASP HB3 1 1 17 5490 1 1 8 ASP HD2 H 0.483 2.458 6.494 1.00 . A A . 8 ASP HD2 1 1 17 5491 1 1 8 ASP N N -3.175 4.190 5.792 1.00 . A A . 8 ASP N 1 1 17 5492 1 1 8 ASP O O -0.112 3.702 4.035 1.00 . A A . 8 ASP O 1 1 17 5493 1 1 8 ASP OD1 O 1.128 5.383 7.223 1.00 . A A . 8 ASP OD1 1 1 17 5494 1 1 8 ASP OD2 O 1.124 3.150 6.671 1.00 . A A . 8 ASP OD2 1 1 17 5495 1 1 9 PHE C C -1.672 2.462 1.642 1.00 . A A . 9 PHE C 1 1 17 5496 1 1 9 PHE CA C -1.933 4.028 1.773 1.00 . A A . 9 PHE CA 1 1 17 5497 1 1 9 PHE CB C -0.895 5.010 1.179 1.00 . A A . 9 PHE CB 1 1 17 5498 1 1 9 PHE CD1 C -1.827 5.415 -1.170 1.00 . A A . 9 PHE CD1 1 1 17 5499 1 1 9 PHE CD2 C 0.536 4.963 -0.923 1.00 . A A . 9 PHE CD2 1 1 17 5500 1 1 9 PHE CE1 C -1.649 5.584 -2.548 1.00 . A A . 9 PHE CE1 1 1 17 5501 1 1 9 PHE CE2 C 0.712 5.153 -2.299 1.00 . A A . 9 PHE CE2 1 1 17 5502 1 1 9 PHE CG C -0.736 5.093 -0.352 1.00 . A A . 9 PHE CG 1 1 17 5503 1 1 9 PHE CZ C -0.381 5.455 -3.103 1.00 . A A . 9 PHE CZ 1 1 17 5504 1 1 9 PHE H H -2.988 4.857 3.491 1.00 . A A . 9 PHE H 1 1 17 5505 1 1 9 PHE HA H -2.846 4.338 1.235 1.00 . A A . 9 PHE HA 1 1 17 5506 1 1 9 PHE HB2 H -1.157 6.026 1.539 1.00 . A A . 9 PHE HB2 1 1 17 5507 1 1 9 PHE HB3 H 0.056 4.778 1.663 1.00 . A A . 9 PHE HB3 1 1 17 5508 1 1 9 PHE HD1 H -2.800 5.543 -0.708 1.00 . A A . 9 PHE HD1 1 1 17 5509 1 1 9 PHE HD2 H 1.376 4.740 -0.272 1.00 . A A . 9 PHE HD2 1 1 17 5510 1 1 9 PHE HE1 H -2.467 5.832 -3.218 1.00 . A A . 9 PHE HE1 1 1 17 5511 1 1 9 PHE HE2 H 1.682 5.084 -2.782 1.00 . A A . 9 PHE HE2 1 1 17 5512 1 1 9 PHE HZ H -0.243 5.597 -4.165 1.00 . A A . 9 PHE HZ 1 1 17 5513 1 1 9 PHE N N -2.129 4.384 3.192 1.00 . A A . 9 PHE N 1 1 17 5514 1 1 9 PHE O O -0.889 2.108 0.755 1.00 . A A . 9 PHE O 1 1 17 5515 1 1 10 ILE C C -0.478 -0.273 2.518 1.00 . A A . 10 ILE C 1 1 17 5516 1 1 10 ILE CA C -2.001 0.032 2.366 1.00 . A A . 10 ILE CA 1 1 17 5517 1 1 10 ILE CB C -2.846 -0.515 1.180 1.00 . A A . 10 ILE CB 1 1 17 5518 1 1 10 ILE CD1 C -5.201 0.148 0.308 1.00 . A A . 10 ILE CD1 1 1 17 5519 1 1 10 ILE CG1 C -4.369 -0.404 1.465 1.00 . A A . 10 ILE CG1 1 1 17 5520 1 1 10 ILE CG2 C -2.495 -1.943 0.694 1.00 . A A . 10 ILE CG2 1 1 17 5521 1 1 10 ILE H H -3.160 1.631 2.978 1.00 . A A . 10 ILE H 1 1 17 5522 1 1 10 ILE HA H -2.461 -0.452 3.234 1.00 . A A . 10 ILE HA 1 1 17 5523 1 1 10 ILE HB H -2.654 0.179 0.376 1.00 . A A . 10 ILE HB 1 1 17 5524 1 1 10 ILE HD11 H -5.110 -0.481 -0.595 1.00 . A A . 10 ILE HD11 1 1 17 5525 1 1 10 ILE HD12 H -6.265 0.213 0.593 1.00 . A A . 10 ILE HD12 1 1 17 5526 1 1 10 ILE HD13 H -4.867 1.172 0.053 1.00 . A A . 10 ILE HD13 1 1 17 5527 1 1 10 ILE HG12 H -4.734 -1.374 1.806 1.00 . A A . 10 ILE HG12 1 1 17 5528 1 1 10 ILE HG13 H -4.570 0.283 2.301 1.00 . A A . 10 ILE HG13 1 1 17 5529 1 1 10 ILE HG21 H -3.162 -2.271 -0.125 1.00 . A A . 10 ILE HG21 1 1 17 5530 1 1 10 ILE HG22 H -2.583 -2.687 1.508 1.00 . A A . 10 ILE HG22 1 1 17 5531 1 1 10 ILE HG23 H -1.468 -2.009 0.296 1.00 . A A . 10 ILE HG23 1 1 17 5532 1 1 10 ILE N N -2.256 1.503 2.476 1.00 . A A . 10 ILE N 1 1 17 5533 1 1 10 ILE O O 0.195 -0.657 1.557 1.00 . A A . 10 ILE O 1 1 17 5534 1 1 11 ASN C C 2.504 0.526 3.176 1.00 . A A . 11 ASN C 1 1 17 5535 1 1 11 ASN CA C 1.485 -0.253 4.115 1.00 . A A . 11 ASN CA 1 1 17 5536 1 1 11 ASN CB C 1.719 -1.782 4.241 1.00 . A A . 11 ASN CB 1 1 17 5537 1 1 11 ASN CG C 2.988 -2.232 4.991 1.00 . A A . 11 ASN CG 1 1 17 5538 1 1 11 ASN H H -0.647 0.122 4.481 1.00 . A A . 11 ASN H 1 1 17 5539 1 1 11 ASN HA H 1.631 0.068 5.164 1.00 . A A . 11 ASN HA 1 1 17 5540 1 1 11 ASN HB2 H 0.842 -2.268 4.715 1.00 . A A . 11 ASN HB2 1 1 17 5541 1 1 11 ASN HB3 H 1.738 -2.181 3.227 1.00 . A A . 11 ASN HB3 1 1 17 5542 1 1 11 ASN HD21 H 3.769 -2.676 6.785 1.00 . A A . 11 ASN HD21 1 1 17 5543 1 1 11 ASN HD22 H 2.003 -2.173 6.730 1.00 . A A . 11 ASN HD22 1 1 17 5544 1 1 11 ASN N N 0.051 -0.038 3.752 1.00 . A A . 11 ASN N 1 1 17 5545 1 1 11 ASN ND2 N 2.915 -2.372 6.305 1.00 . A A . 11 ASN ND2 1 1 17 5546 1 1 11 ASN O O 3.654 0.090 3.076 1.00 . A A . 11 ASN O 1 1 17 5547 1 1 11 ASN OD1 O 4.036 -2.462 4.395 1.00 . A A . 11 ASN OD1 1 1 17 5548 1 1 12 ASN C C 3.491 1.547 0.398 1.00 . A A . 12 ASN C 1 1 17 5549 1 1 12 ASN CA C 3.048 2.441 1.602 1.00 . A A . 12 ASN CA 1 1 17 5550 1 1 12 ASN CB C 4.118 3.211 2.398 1.00 . A A . 12 ASN CB 1 1 17 5551 1 1 12 ASN CG C 5.038 4.138 1.593 1.00 . A A . 12 ASN CG 1 1 17 5552 1 1 12 ASN H H 1.185 2.035 2.582 1.00 . A A . 12 ASN H 1 1 17 5553 1 1 12 ASN HA H 2.459 3.250 1.177 1.00 . A A . 12 ASN HA 1 1 17 5554 1 1 12 ASN HB2 H 3.620 3.768 3.220 1.00 . A A . 12 ASN HB2 1 1 17 5555 1 1 12 ASN HB3 H 4.731 2.515 2.931 1.00 . A A . 12 ASN HB3 1 1 17 5556 1 1 12 ASN HD21 H 5.302 6.119 1.333 1.00 . A A . 12 ASN HD21 1 1 17 5557 1 1 12 ASN HD22 H 3.918 5.413 2.359 1.00 . A A . 12 ASN HD22 1 1 17 5558 1 1 12 ASN N N 2.145 1.676 2.510 1.00 . A A . 12 ASN N 1 1 17 5559 1 1 12 ASN ND2 N 4.659 5.387 1.650 1.00 . A A . 12 ASN ND2 1 1 17 5560 1 1 12 ASN O O 4.681 1.301 0.209 1.00 . A A . 12 ASN O 1 1 17 5561 1 1 12 ASN OD1 O 6.041 3.765 0.986 1.00 . A A . 12 ASN OD1 1 1 17 5562 1 1 13 LYS C C 3.374 -1.181 -1.251 1.00 . A A . 13 LYS C 1 1 17 5563 1 1 13 LYS CA C 2.727 0.197 -1.592 1.00 . A A . 13 LYS CA 1 1 17 5564 1 1 13 LYS CB C 3.416 0.948 -2.774 1.00 . A A . 13 LYS CB 1 1 17 5565 1 1 13 LYS CD C 1.286 1.900 -3.997 1.00 . A A . 13 LYS CD 1 1 17 5566 1 1 13 LYS CE C 1.307 1.000 -5.248 1.00 . A A . 13 LYS CE 1 1 17 5567 1 1 13 LYS CG C 2.674 2.165 -3.371 1.00 . A A . 13 LYS CG 1 1 17 5568 1 1 13 LYS H H 1.559 1.335 -0.118 1.00 . A A . 13 LYS H 1 1 17 5569 1 1 13 LYS HA H 1.731 -0.081 -1.938 1.00 . A A . 13 LYS HA 1 1 17 5570 1 1 13 LYS HB2 H 4.421 1.277 -2.452 1.00 . A A . 13 LYS HB2 1 1 17 5571 1 1 13 LYS HB3 H 3.607 0.235 -3.596 1.00 . A A . 13 LYS HB3 1 1 17 5572 1 1 13 LYS HD2 H 0.608 1.479 -3.231 1.00 . A A . 13 LYS HD2 1 1 17 5573 1 1 13 LYS HD3 H 0.844 2.878 -4.263 1.00 . A A . 13 LYS HD3 1 1 17 5574 1 1 13 LYS HE2 H 1.983 1.422 -6.016 1.00 . A A . 13 LYS HE2 1 1 17 5575 1 1 13 LYS HE3 H 1.704 -0.001 -5.003 1.00 . A A . 13 LYS HE3 1 1 17 5576 1 1 13 LYS HG2 H 2.565 2.926 -2.577 1.00 . A A . 13 LYS HG2 1 1 17 5577 1 1 13 LYS HG3 H 3.324 2.644 -4.126 1.00 . A A . 13 LYS HG3 1 1 17 5578 1 1 13 LYS HZ1 H -0.665 0.431 -5.154 1.00 . A A . 13 LYS HZ1 1 1 17 5579 1 1 13 LYS HZ2 H 0.004 0.276 -6.677 1.00 . A A . 13 LYS HZ2 1 1 17 5580 1 1 13 LYS HZ3 H -0.398 1.763 -6.128 1.00 . A A . 13 LYS HZ3 1 1 17 5581 1 1 13 LYS N N 2.508 1.075 -0.404 1.00 . A A . 13 LYS N 1 1 17 5582 1 1 13 LYS NZ N -0.039 0.849 -5.827 1.00 . A A . 13 LYS NZ 1 1 17 5583 1 1 13 LYS O O 4.233 -1.661 -1.995 1.00 . A A . 13 LYS O 1 1 17 5584 1 1 14 HIS C C 4.997 -3.080 0.498 1.00 . A A . 14 HIS C 1 1 17 5585 1 1 14 HIS CA C 3.449 -3.189 0.292 1.00 . A A . 14 HIS CA 1 1 17 5586 1 1 14 HIS CB C 2.977 -4.356 -0.615 1.00 . A A . 14 HIS CB 1 1 17 5587 1 1 14 HIS CD2 C 4.003 -6.747 -0.449 1.00 . A A . 14 HIS CD2 1 1 17 5588 1 1 14 HIS CE1 C 3.204 -7.309 1.413 1.00 . A A . 14 HIS CE1 1 1 17 5589 1 1 14 HIS CG C 3.193 -5.712 0.049 1.00 . A A . 14 HIS CG 1 1 17 5590 1 1 14 HIS H H 2.170 -1.376 0.353 1.00 . A A . 14 HIS H 1 1 17 5591 1 1 14 HIS HA H 3.002 -3.375 1.282 1.00 . A A . 14 HIS HA 1 1 17 5592 1 1 14 HIS HB2 H 1.900 -4.250 -0.847 1.00 . A A . 14 HIS HB2 1 1 17 5593 1 1 14 HIS HB3 H 3.487 -4.313 -1.597 1.00 . A A . 14 HIS HB3 1 1 17 5594 1 1 14 HIS HD2 H 4.555 -6.715 -1.377 1.00 . A A . 14 HIS HD2 1 1 17 5595 1 1 14 HIS HE1 H 2.998 -7.898 2.294 1.00 . A A . 14 HIS HE1 1 1 17 5596 1 1 14 HIS HE2 H 4.517 -8.704 0.381 1.00 . A A . 14 HIS HE2 1 1 17 5597 1 1 14 HIS N N 2.913 -1.863 -0.165 1.00 . A A . 14 HIS N 1 1 17 5598 1 1 14 HIS ND1 N 2.652 -6.056 1.284 1.00 . A A . 14 HIS ND1 1 1 17 5599 1 1 14 HIS NE2 N 4.019 -7.807 0.433 1.00 . A A . 14 HIS NE2 1 1 17 5600 1 1 14 HIS O O 5.781 -3.732 -0.200 1.00 . A A . 14 HIS O 1 1 17 5601 1 1 15 LEU C C 7.599 -1.352 0.546 1.00 . A A . 15 LEU C 1 1 17 5602 1 1 15 LEU CA C 6.839 -1.957 1.789 1.00 . A A . 15 LEU CA 1 1 17 5603 1 1 15 LEU CB C 7.572 -3.178 2.440 1.00 . A A . 15 LEU CB 1 1 17 5604 1 1 15 LEU CD1 C 5.909 -4.947 3.368 1.00 . A A . 15 LEU CD1 1 1 17 5605 1 1 15 LEU CD2 C 8.133 -4.619 4.457 1.00 . A A . 15 LEU CD2 1 1 17 5606 1 1 15 LEU CG C 6.986 -3.872 3.717 1.00 . A A . 15 LEU CG 1 1 17 5607 1 1 15 LEU H H 4.666 -1.771 2.002 1.00 . A A . 15 LEU H 1 1 17 5608 1 1 15 LEU HA H 6.842 -1.134 2.522 1.00 . A A . 15 LEU HA 1 1 17 5609 1 1 15 LEU HB2 H 7.750 -3.943 1.660 1.00 . A A . 15 LEU HB2 1 1 17 5610 1 1 15 LEU HB3 H 8.585 -2.809 2.684 1.00 . A A . 15 LEU HB3 1 1 17 5611 1 1 15 LEU HD11 H 5.563 -5.516 4.252 1.00 . A A . 15 LEU HD11 1 1 17 5612 1 1 15 LEU HD12 H 6.281 -5.708 2.649 1.00 . A A . 15 LEU HD12 1 1 17 5613 1 1 15 LEU HD13 H 4.995 -4.528 2.911 1.00 . A A . 15 LEU HD13 1 1 17 5614 1 1 15 LEU HD21 H 8.628 -5.382 3.819 1.00 . A A . 15 LEU HD21 1 1 17 5615 1 1 15 LEU HD22 H 7.789 -5.158 5.361 1.00 . A A . 15 LEU HD22 1 1 17 5616 1 1 15 LEU HD23 H 8.937 -3.938 4.792 1.00 . A A . 15 LEU HD23 1 1 17 5617 1 1 15 LEU HG H 6.551 -3.081 4.398 1.00 . A A . 15 LEU HG 1 1 17 5618 1 1 15 LEU N N 5.410 -2.220 1.461 1.00 . A A . 15 LEU N 1 1 17 5619 1 1 15 LEU O O 8.766 -1.684 0.315 1.00 . A A . 15 LEU O 1 1 17 5620 1 1 16 ASN C C 8.007 -0.867 -2.494 1.00 . A A . 16 ASN C 1 1 17 5621 1 1 16 ASN CA C 7.525 0.203 -1.459 1.00 . A A . 16 ASN CA 1 1 17 5622 1 1 16 ASN CB C 8.482 1.326 -1.033 1.00 . A A . 16 ASN CB 1 1 17 5623 1 1 16 ASN CG C 8.998 2.238 -2.152 1.00 . A A . 16 ASN CG 1 1 17 5624 1 1 16 ASN H H 5.989 -0.177 0.026 1.00 . A A . 16 ASN H 1 1 17 5625 1 1 16 ASN HA H 6.718 0.772 -1.931 1.00 . A A . 16 ASN HA 1 1 17 5626 1 1 16 ASN HB2 H 7.967 1.909 -0.239 1.00 . A A . 16 ASN HB2 1 1 17 5627 1 1 16 ASN HB3 H 9.329 0.917 -0.517 1.00 . A A . 16 ASN HB3 1 1 17 5628 1 1 16 ASN HD21 H 8.737 4.143 -2.769 1.00 . A A . 16 ASN HD21 1 1 17 5629 1 1 16 ASN HD22 H 7.759 3.394 -1.371 1.00 . A A . 16 ASN HD22 1 1 17 5630 1 1 16 ASN N N 6.948 -0.442 -0.245 1.00 . A A . 16 ASN N 1 1 17 5631 1 1 16 ASN ND2 N 8.362 3.376 -2.199 1.00 . A A . 16 ASN ND2 1 1 17 5632 1 1 16 ASN O O 9.190 -0.940 -2.838 1.00 . A A . 16 ASN O 1 1 17 5633 1 1 16 ASN OD1 O 9.927 1.950 -2.905 1.00 . A A . 16 ASN OD1 1 1 17 5634 1 1 17 GLU C C 8.448 -3.752 -3.576 1.00 . A A . 17 GLU C 1 1 17 5635 1 1 17 GLU CA C 7.230 -2.828 -3.886 1.00 . A A . 17 GLU CA 1 1 17 5636 1 1 17 GLU CB C 7.074 -2.310 -5.320 1.00 . A A . 17 GLU CB 1 1 17 5637 1 1 17 GLU CD C 5.536 -1.181 -7.048 1.00 . A A . 17 GLU CD 1 1 17 5638 1 1 17 GLU CG C 5.698 -1.670 -5.610 1.00 . A A . 17 GLU CG 1 1 17 5639 1 1 17 GLU H H 6.083 -1.397 -2.890 1.00 . A A . 17 GLU H 1 1 17 5640 1 1 17 GLU HA H 6.327 -3.435 -3.778 1.00 . A A . 17 GLU HA 1 1 17 5641 1 1 17 GLU HB2 H 7.897 -1.623 -5.539 1.00 . A A . 17 GLU HB2 1 1 17 5642 1 1 17 GLU HB3 H 7.187 -3.171 -5.977 1.00 . A A . 17 GLU HB3 1 1 17 5643 1 1 17 GLU HE2 H 4.934 -2.994 -7.417 1.00 . A A . 17 GLU HE2 1 1 17 5644 1 1 17 GLU HG2 H 4.894 -2.375 -5.339 1.00 . A A . 17 GLU HG2 1 1 17 5645 1 1 17 GLU HG3 H 5.547 -0.835 -4.910 1.00 . A A . 17 GLU HG3 1 1 17 5646 1 1 17 GLU N N 7.050 -1.724 -2.926 1.00 . A A . 17 GLU N 1 1 17 5647 1 1 17 GLU O O 9.397 -3.837 -4.362 1.00 . A A . 17 GLU O 1 1 17 5648 1 1 17 GLU OE1 O 5.790 -0.030 -7.406 1.00 . A A . 17 GLU OE1 1 1 17 5649 1 1 17 GLU OE2 O 5.074 -2.167 -7.883 1.00 . A A . 17 GLU OE2 1 1 17 5650 1 1 18 HIS C C 10.844 -4.641 -1.771 1.00 . A A . 18 HIS C 1 1 17 5651 1 1 18 HIS CA C 9.448 -5.338 -1.881 1.00 . A A . 18 HIS CA 1 1 17 5652 1 1 18 HIS CB C 9.386 -6.668 -2.668 1.00 . A A . 18 HIS CB 1 1 17 5653 1 1 18 HIS CD2 C 10.206 -9.093 -2.643 1.00 . A A . 18 HIS CD2 1 1 17 5654 1 1 18 HIS CE1 C 11.185 -9.143 -0.786 1.00 . A A . 18 HIS CE1 1 1 17 5655 1 1 18 HIS CG C 10.135 -7.833 -2.042 1.00 . A A . 18 HIS CG 1 1 17 5656 1 1 18 HIS H H 7.492 -4.379 -1.920 1.00 . A A . 18 HIS H 1 1 17 5657 1 1 18 HIS HA H 9.140 -5.606 -0.851 1.00 . A A . 18 HIS HA 1 1 17 5658 1 1 18 HIS HB2 H 8.330 -6.980 -2.774 1.00 . A A . 18 HIS HB2 1 1 17 5659 1 1 18 HIS HB3 H 9.734 -6.504 -3.703 1.00 . A A . 18 HIS HB3 1 1 17 5660 1 1 18 HIS HD2 H 9.740 -9.329 -3.588 1.00 . A A . 18 HIS HD2 1 1 17 5661 1 1 18 HIS HE1 H 11.732 -9.523 0.066 1.00 . A A . 18 HIS HE1 1 1 17 5662 1 1 18 HIS HE2 H 11.109 -10.968 -1.972 1.00 . A A . 18 HIS HE2 1 1 17 5663 1 1 18 HIS N N 8.400 -4.411 -2.390 1.00 . A A . 18 HIS N 1 1 17 5664 1 1 18 HIS ND1 N 10.765 -7.834 -0.802 1.00 . A A . 18 HIS ND1 1 1 17 5665 1 1 18 HIS NE2 N 10.899 -9.974 -1.838 1.00 . A A . 18 HIS NE2 1 1 17 5666 1 1 18 HIS O O 11.719 -4.839 -2.620 1.00 . A A . 18 HIS O 1 1 17 5667 1 1 19 ALA C C 12.572 -3.195 1.053 1.00 . A A . 19 ALA C 1 1 17 5668 1 1 19 ALA CA C 12.249 -3.061 -0.458 1.00 . A A . 19 ALA CA 1 1 17 5669 1 1 19 ALA CB C 12.117 -1.657 -1.113 1.00 . A A . 19 ALA CB 1 1 17 5670 1 1 19 ALA H H 10.265 -3.741 -0.040 1.00 . A A . 19 ALA H 1 1 17 5671 1 1 19 ALA HA H 13.096 -3.536 -0.931 1.00 . A A . 19 ALA HA 1 1 17 5672 1 1 19 ALA HB1 H 11.949 -1.725 -2.206 1.00 . A A . 19 ALA HB1 1 1 17 5673 1 1 19 ALA HB2 H 13.037 -1.061 -0.974 1.00 . A A . 19 ALA HB2 1 1 17 5674 1 1 19 ALA HB3 H 11.280 -1.070 -0.689 1.00 . A A . 19 ALA HB3 1 1 17 5675 1 1 19 ALA N N 11.013 -3.807 -0.725 1.00 . A A . 19 ALA N 1 1 17 5676 1 1 19 ALA O O 12.775 -4.299 1.570 1.00 . A A . 19 ALA O 1 1 17 5677 1 1 20 HIS C C 11.684 -2.335 4.040 1.00 . A A . 20 HIS C 1 1 17 5678 1 1 20 HIS CA C 12.921 -1.940 3.180 1.00 . A A . 20 HIS CA 1 1 17 5679 1 1 20 HIS CB C 13.420 -0.501 3.471 1.00 . A A . 20 HIS CB 1 1 17 5680 1 1 20 HIS CD2 C 14.617 0.902 5.254 1.00 . A A . 20 HIS CD2 1 1 17 5681 1 1 20 HIS CE1 C 15.155 -0.604 6.618 1.00 . A A . 20 HIS CE1 1 1 17 5682 1 1 20 HIS CG C 14.144 -0.335 4.800 1.00 . A A . 20 HIS CG 1 1 17 5683 1 1 20 HIS H H 12.647 -1.296 1.055 1.00 . A A . 20 HIS H 1 1 17 5684 1 1 20 HIS HXT H 10.926 -3.597 5.320 1.00 . A A . 20 HIS HXT 1 1 17 5685 1 1 20 HIS HA H 13.775 -2.607 3.382 1.00 . A A . 20 HIS HA 1 1 17 5686 1 1 20 HIS HB2 H 14.132 -0.164 2.693 1.00 . A A . 20 HIS HB2 1 1 17 5687 1 1 20 HIS HB3 H 12.583 0.221 3.412 1.00 . A A . 20 HIS HB3 1 1 17 5688 1 1 20 HIS HD2 H 14.506 1.824 4.706 1.00 . A A . 20 HIS HD2 1 1 17 5689 1 1 20 HIS HE1 H 15.586 -1.085 7.484 1.00 . A A . 20 HIS HE1 1 1 17 5690 1 1 20 HIS HE2 H 15.761 1.446 7.039 1.00 . A A . 20 HIS HE2 1 1 17 5691 1 1 20 HIS N N 12.624 -2.053 1.734 1.00 . A A . 20 HIS N 1 1 17 5692 1 1 20 HIS ND1 N 14.493 -1.356 5.676 1.00 . A A . 20 HIS ND1 1 1 17 5693 1 1 20 HIS NE2 N 15.280 0.751 6.456 1.00 . A A . 20 HIS NE2 1 1 17 5694 1 1 20 HIS O O 10.643 -1.675 4.030 1.00 . A A . 20 HIS O 1 1 17 5695 1 1 20 HIS OXT O 11.757 -3.481 4.854 1.00 . A A . 20 HIS OXT 1 1 18 5696 1 1 1 SER C C -3.389 1.610 7.520 1.00 . A A . 1 SER C 1 1 18 5697 1 1 1 SER CA C -4.178 0.374 8.047 1.00 . A A . 1 SER CA 1 1 18 5698 1 1 1 SER CB C -4.216 -0.924 7.227 1.00 . A A . 1 SER CB 1 1 18 5699 1 1 1 SER H1 H -5.904 -0.104 7.892 1.00 . A A . 1 SER H1 1 1 18 5700 1 1 1 SER H2 H -6.163 1.300 7.929 1.00 . A A . 1 SER H2 1 1 18 5701 1 1 1 SER H3 H -5.907 0.202 9.287 1.00 . A A . 1 SER H3 1 1 18 5702 1 1 1 SER HA H -3.657 0.060 8.958 1.00 . A A . 1 SER HA 1 1 18 5703 1 1 1 SER HB2 H -4.425 -1.778 7.901 1.00 . A A . 1 SER HB2 1 1 18 5704 1 1 1 SER HB3 H -5.078 -0.859 6.555 1.00 . A A . 1 SER HB3 1 1 18 5705 1 1 1 SER HG H -2.890 -0.436 5.920 1.00 . A A . 1 SER HG 1 1 18 5706 1 1 1 SER N N -5.576 0.668 8.455 1.00 . A A . 1 SER N 1 1 18 5707 1 1 1 SER O O -2.899 1.660 6.388 1.00 . A A . 1 SER O 1 1 18 5708 1 1 1 SER OG O -3.014 -1.184 6.510 1.00 . A A . 1 SER OG 1 1 18 5709 1 1 2 ASP C C -2.038 4.605 9.458 1.00 . A A . 2 ASP C 1 1 18 5710 1 1 2 ASP CA C -2.622 3.898 8.186 1.00 . A A . 2 ASP CA 1 1 18 5711 1 1 2 ASP CB C -3.643 4.806 7.403 1.00 . A A . 2 ASP CB 1 1 18 5712 1 1 2 ASP CG C -3.074 6.048 6.705 1.00 . A A . 2 ASP CG 1 1 18 5713 1 1 2 ASP H H -3.862 2.397 9.260 1.00 . A A . 2 ASP H 1 1 18 5714 1 1 2 ASP HA H -1.735 3.648 7.604 1.00 . A A . 2 ASP HA 1 1 18 5715 1 1 2 ASP HB2 H -4.192 4.242 6.617 1.00 . A A . 2 ASP HB2 1 1 18 5716 1 1 2 ASP HB3 H -4.446 5.118 8.100 1.00 . A A . 2 ASP HB3 1 1 18 5717 1 1 2 ASP HD2 H -2.984 7.978 6.953 1.00 . A A . 2 ASP HD2 1 1 18 5718 1 1 2 ASP N N -3.313 2.603 8.422 1.00 . A A . 2 ASP N 1 1 18 5719 1 1 2 ASP O O -1.739 5.799 9.378 1.00 . A A . 2 ASP O 1 1 18 5720 1 1 2 ASP OD1 O -2.467 6.009 5.638 1.00 . A A . 2 ASP OD1 1 1 18 5721 1 1 2 ASP OD2 O -3.335 7.203 7.398 1.00 . A A . 2 ASP OD2 1 1 18 5722 1 1 3 THR C C -0.261 5.613 11.833 1.00 . A A . 3 THR C 1 1 18 5723 1 1 3 THR CA C -1.200 4.369 11.856 1.00 . A A . 3 THR CA 1 1 18 5724 1 1 3 THR CB C -0.722 3.156 12.715 1.00 . A A . 3 THR CB 1 1 18 5725 1 1 3 THR CG2 C 0.498 2.378 12.194 1.00 . A A . 3 THR CG2 1 1 18 5726 1 1 3 THR H H -1.771 2.860 10.353 1.00 . A A . 3 THR H 1 1 18 5727 1 1 3 THR HA H -2.084 4.726 12.395 1.00 . A A . 3 THR HA 1 1 18 5728 1 1 3 THR HB H -1.559 2.433 12.781 1.00 . A A . 3 THR HB 1 1 18 5729 1 1 3 THR HG1 H 0.286 4.203 13.974 1.00 . A A . 3 THR HG1 1 1 18 5730 1 1 3 THR HG21 H 0.392 2.134 11.122 1.00 . A A . 3 THR HG21 1 1 18 5731 1 1 3 THR HG22 H 0.626 1.429 12.743 1.00 . A A . 3 THR HG22 1 1 18 5732 1 1 3 THR HG23 H 1.431 2.956 12.306 1.00 . A A . 3 THR HG23 1 1 18 5733 1 1 3 THR N N -1.750 3.864 10.555 1.00 . A A . 3 THR N 1 1 18 5734 1 1 3 THR O O -0.693 6.704 12.216 1.00 . A A . 3 THR O 1 1 18 5735 1 1 3 THR OG1 O -0.446 3.586 14.042 1.00 . A A . 3 THR OG1 1 1 18 5736 1 1 4 ARG C C 1.688 7.334 9.905 1.00 . A A . 4 ARG C 1 1 18 5737 1 1 4 ARG CA C 1.955 6.561 11.224 1.00 . A A . 4 ARG CA 1 1 18 5738 1 1 4 ARG CB C 3.433 6.059 11.290 1.00 . A A . 4 ARG CB 1 1 18 5739 1 1 4 ARG CD C 3.614 5.651 13.903 1.00 . A A . 4 ARG CD 1 1 18 5740 1 1 4 ARG CG C 3.873 5.132 12.456 1.00 . A A . 4 ARG CG 1 1 18 5741 1 1 4 ARG CZ C 3.756 3.727 15.523 1.00 . A A . 4 ARG CZ 1 1 18 5742 1 1 4 ARG H H 1.263 4.479 11.277 1.00 . A A . 4 ARG H 1 1 18 5743 1 1 4 ARG HA H 1.760 7.252 12.057 1.00 . A A . 4 ARG HA 1 1 18 5744 1 1 4 ARG HB2 H 3.677 5.522 10.352 1.00 . A A . 4 ARG HB2 1 1 18 5745 1 1 4 ARG HB3 H 4.120 6.928 11.267 1.00 . A A . 4 ARG HB3 1 1 18 5746 1 1 4 ARG HD2 H 3.991 6.685 14.031 1.00 . A A . 4 ARG HD2 1 1 18 5747 1 1 4 ARG HD3 H 2.530 5.742 14.130 1.00 . A A . 4 ARG HD3 1 1 18 5748 1 1 4 ARG HE H 5.232 5.063 15.182 1.00 . A A . 4 ARG HE 1 1 18 5749 1 1 4 ARG HG2 H 3.410 4.135 12.309 1.00 . A A . 4 ARG HG2 1 1 18 5750 1 1 4 ARG HG3 H 4.954 4.918 12.310 1.00 . A A . 4 ARG HG3 1 1 18 5751 1 1 4 ARG HH11 H 2.240 2.435 15.800 1.00 . A A . 4 ARG HH11 1 1 18 5752 1 1 4 ARG HH12 H 1.979 3.781 14.582 1.00 . A A . 4 ARG HH12 1 1 18 5753 1 1 4 ARG HH21 H 5.430 3.455 16.586 1.00 . A A . 4 ARG HH21 1 1 18 5754 1 1 4 ARG HH22 H 4.061 2.265 16.856 1.00 . A A . 4 ARG HH22 1 1 18 5755 1 1 4 ARG N N 0.978 5.453 11.348 1.00 . A A . 4 ARG N 1 1 18 5756 1 1 4 ARG NE N 4.292 4.807 14.920 1.00 . A A . 4 ARG NE 1 1 18 5757 1 1 4 ARG NH1 N 2.531 3.267 15.276 1.00 . A A . 4 ARG NH1 1 1 18 5758 1 1 4 ARG NH2 N 4.489 3.084 16.412 1.00 . A A . 4 ARG NH2 1 1 18 5759 1 1 4 ARG O O 1.246 8.485 9.919 1.00 . A A . 4 ARG O 1 1 18 5760 1 1 5 TYR C C 1.666 5.862 6.551 1.00 . A A . 5 TYR C 1 1 18 5761 1 1 5 TYR CA C 1.769 7.161 7.416 1.00 . A A . 5 TYR CA 1 1 18 5762 1 1 5 TYR CB C 2.871 8.161 6.991 1.00 . A A . 5 TYR CB 1 1 18 5763 1 1 5 TYR CD1 C 1.788 10.011 5.612 1.00 . A A . 5 TYR CD1 1 1 18 5764 1 1 5 TYR CD2 C 3.202 8.419 4.472 1.00 . A A . 5 TYR CD2 1 1 18 5765 1 1 5 TYR CE1 C 1.546 10.659 4.403 1.00 . A A . 5 TYR CE1 1 1 18 5766 1 1 5 TYR CE2 C 2.956 9.067 3.264 1.00 . A A . 5 TYR CE2 1 1 18 5767 1 1 5 TYR CG C 2.617 8.884 5.656 1.00 . A A . 5 TYR CG 1 1 18 5768 1 1 5 TYR CZ C 2.129 10.188 3.229 1.00 . A A . 5 TYR CZ 1 1 18 5769 1 1 5 TYR H H 2.142 5.666 8.941 1.00 . A A . 5 TYR H 1 1 18 5770 1 1 5 TYR HA H 0.853 7.749 7.388 1.00 . A A . 5 TYR HA 1 1 18 5771 1 1 5 TYR HB2 H 3.010 8.912 7.793 1.00 . A A . 5 TYR HB2 1 1 18 5772 1 1 5 TYR HB3 H 3.817 7.615 6.964 1.00 . A A . 5 TYR HB3 1 1 18 5773 1 1 5 TYR HD1 H 1.325 10.386 6.515 1.00 . A A . 5 TYR HD1 1 1 18 5774 1 1 5 TYR HD2 H 3.848 7.552 4.482 1.00 . A A . 5 TYR HD2 1 1 18 5775 1 1 5 TYR HE1 H 0.903 11.527 4.380 1.00 . A A . 5 TYR HE1 1 1 18 5776 1 1 5 TYR HE2 H 3.410 8.697 2.355 1.00 . A A . 5 TYR HE2 1 1 18 5777 1 1 5 TYR HH H 1.303 11.570 2.196 1.00 . A A . 5 TYR HH 1 1 18 5778 1 1 5 TYR N N 1.984 6.659 8.785 1.00 . A A . 5 TYR N 1 1 18 5779 1 1 5 TYR O O 2.648 5.515 5.885 1.00 . A A . 5 TYR O 1 1 18 5780 1 1 5 TYR OH O 1.888 10.826 2.038 1.00 . A A . 5 TYR OH 1 1 18 5781 1 1 6 ASN C C 1.234 2.694 6.362 1.00 . A A . 6 ASN C 1 1 18 5782 1 1 6 ASN CA C 0.355 3.855 5.766 1.00 . A A . 6 ASN CA 1 1 18 5783 1 1 6 ASN CB C 0.535 4.025 4.220 1.00 . A A . 6 ASN CB 1 1 18 5784 1 1 6 ASN CG C -0.406 5.006 3.502 1.00 . A A . 6 ASN CG 1 1 18 5785 1 1 6 ASN H H -0.143 5.296 7.337 1.00 . A A . 6 ASN H 1 1 18 5786 1 1 6 ASN HA H -0.704 3.549 5.856 1.00 . A A . 6 ASN HA 1 1 18 5787 1 1 6 ASN HB2 H 1.567 4.334 3.993 1.00 . A A . 6 ASN HB2 1 1 18 5788 1 1 6 ASN HB3 H 0.454 3.036 3.730 1.00 . A A . 6 ASN HB3 1 1 18 5789 1 1 6 ASN HD21 H -2.169 5.203 2.561 1.00 . A A . 6 ASN HD21 1 1 18 5790 1 1 6 ASN HD22 H -1.748 3.548 3.238 1.00 . A A . 6 ASN HD22 1 1 18 5791 1 1 6 ASN N N 0.523 5.116 6.566 1.00 . A A . 6 ASN N 1 1 18 5792 1 1 6 ASN ND2 N -1.548 4.531 3.027 1.00 . A A . 6 ASN ND2 1 1 18 5793 1 1 6 ASN O O 2.102 2.162 5.662 1.00 . A A . 6 ASN O 1 1 18 5794 1 1 6 ASN OD1 O -0.111 6.192 3.363 1.00 . A A . 6 ASN OD1 1 1 18 5795 1 1 7 LYS C C 3.365 1.345 8.364 1.00 . A A . 7 LYS C 1 1 18 5796 1 1 7 LYS CA C 1.826 1.186 8.295 1.00 . A A . 7 LYS CA 1 1 18 5797 1 1 7 LYS CB C 1.288 -0.210 7.889 1.00 . A A . 7 LYS CB 1 1 18 5798 1 1 7 LYS CD C -0.689 -0.535 9.610 1.00 . A A . 7 LYS CD 1 1 18 5799 1 1 7 LYS CE C 0.031 -1.517 10.556 1.00 . A A . 7 LYS CE 1 1 18 5800 1 1 7 LYS CG C -0.199 -0.551 8.147 1.00 . A A . 7 LYS CG 1 1 18 5801 1 1 7 LYS H H 0.403 2.858 8.222 1.00 . A A . 7 LYS H 1 1 18 5802 1 1 7 LYS HA H 1.682 1.188 9.354 1.00 . A A . 7 LYS HA 1 1 18 5803 1 1 7 LYS HB2 H 1.495 -0.361 6.827 1.00 . A A . 7 LYS HB2 1 1 18 5804 1 1 7 LYS HB3 H 1.879 -0.975 8.417 1.00 . A A . 7 LYS HB3 1 1 18 5805 1 1 7 LYS HD2 H -0.623 0.495 10.003 1.00 . A A . 7 LYS HD2 1 1 18 5806 1 1 7 LYS HD3 H -1.770 -0.769 9.605 1.00 . A A . 7 LYS HD3 1 1 18 5807 1 1 7 LYS HE2 H -0.029 -2.548 10.161 1.00 . A A . 7 LYS HE2 1 1 18 5808 1 1 7 LYS HE3 H 1.107 -1.272 10.626 1.00 . A A . 7 LYS HE3 1 1 18 5809 1 1 7 LYS HG2 H -0.828 0.137 7.556 1.00 . A A . 7 LYS HG2 1 1 18 5810 1 1 7 LYS HG3 H -0.404 -1.551 7.718 1.00 . A A . 7 LYS HG3 1 1 18 5811 1 1 7 LYS HZ1 H -0.067 -2.134 12.513 1.00 . A A . 7 LYS HZ1 1 1 18 5812 1 1 7 LYS HZ2 H -0.498 -0.535 12.293 1.00 . A A . 7 LYS HZ2 1 1 18 5813 1 1 7 LYS HZ3 H -1.550 -1.713 11.869 1.00 . A A . 7 LYS HZ3 1 1 18 5814 1 1 7 LYS N N 1.031 2.284 7.647 1.00 . A A . 7 LYS N 1 1 18 5815 1 1 7 LYS NZ N -0.550 -1.485 11.909 1.00 . A A . 7 LYS NZ 1 1 18 5816 1 1 7 LYS O O 4.062 0.341 8.530 1.00 . A A . 7 LYS O 1 1 18 5817 1 1 8 ASP C C 6.181 1.960 7.514 1.00 . A A . 8 ASP C 1 1 18 5818 1 1 8 ASP CA C 5.358 2.926 8.408 1.00 . A A . 8 ASP CA 1 1 18 5819 1 1 8 ASP CB C 5.688 3.093 9.900 1.00 . A A . 8 ASP CB 1 1 18 5820 1 1 8 ASP CG C 7.164 3.184 10.309 1.00 . A A . 8 ASP CG 1 1 18 5821 1 1 8 ASP H H 3.173 3.325 8.392 1.00 . A A . 8 ASP H 1 1 18 5822 1 1 8 ASP HA H 5.574 3.933 8.001 1.00 . A A . 8 ASP HA 1 1 18 5823 1 1 8 ASP HB2 H 5.186 4.011 10.263 1.00 . A A . 8 ASP HB2 1 1 18 5824 1 1 8 ASP HB3 H 5.181 2.273 10.420 1.00 . A A . 8 ASP HB3 1 1 18 5825 1 1 8 ASP HD2 H 8.645 4.444 10.234 1.00 . A A . 8 ASP HD2 1 1 18 5826 1 1 8 ASP N N 3.888 2.604 8.349 1.00 . A A . 8 ASP N 1 1 18 5827 1 1 8 ASP O O 7.036 1.196 7.967 1.00 . A A . 8 ASP O 1 1 18 5828 1 1 8 ASP OD1 O 7.768 2.270 10.870 1.00 . A A . 8 ASP OD1 1 1 18 5829 1 1 8 ASP OD2 O 7.722 4.392 9.977 1.00 . A A . 8 ASP OD2 1 1 18 5830 1 1 9 PHE C C 5.621 -0.113 4.877 1.00 . A A . 9 PHE C 1 1 18 5831 1 1 9 PHE CA C 6.328 1.252 5.109 1.00 . A A . 9 PHE CA 1 1 18 5832 1 1 9 PHE CB C 7.852 1.399 5.077 1.00 . A A . 9 PHE CB 1 1 18 5833 1 1 9 PHE CD1 C 8.418 2.139 2.714 1.00 . A A . 9 PHE CD1 1 1 18 5834 1 1 9 PHE CD2 C 9.587 0.228 3.629 1.00 . A A . 9 PHE CD2 1 1 18 5835 1 1 9 PHE CE1 C 9.183 2.048 1.547 1.00 . A A . 9 PHE CE1 1 1 18 5836 1 1 9 PHE CE2 C 10.354 0.145 2.461 1.00 . A A . 9 PHE CE2 1 1 18 5837 1 1 9 PHE CG C 8.609 1.220 3.753 1.00 . A A . 9 PHE CG 1 1 18 5838 1 1 9 PHE CZ C 10.137 1.047 1.425 1.00 . A A . 9 PHE CZ 1 1 18 5839 1 1 9 PHE H H 5.009 2.613 6.003 1.00 . A A . 9 PHE H 1 1 18 5840 1 1 9 PHE HA H 6.020 1.833 4.240 1.00 . A A . 9 PHE HA 1 1 18 5841 1 1 9 PHE HB2 H 8.044 2.434 5.423 1.00 . A A . 9 PHE HB2 1 1 18 5842 1 1 9 PHE HB3 H 8.210 0.745 5.867 1.00 . A A . 9 PHE HB3 1 1 18 5843 1 1 9 PHE HD1 H 7.683 2.927 2.850 1.00 . A A . 9 PHE HD1 1 1 18 5844 1 1 9 PHE HD2 H 9.736 -0.457 4.459 1.00 . A A . 9 PHE HD2 1 1 18 5845 1 1 9 PHE HE1 H 9.070 2.740 0.719 1.00 . A A . 9 PHE HE1 1 1 18 5846 1 1 9 PHE HE2 H 11.118 -0.614 2.315 1.00 . A A . 9 PHE HE2 1 1 18 5847 1 1 9 PHE HZ H 10.701 0.957 0.513 1.00 . A A . 9 PHE HZ 1 1 18 5848 1 1 9 PHE N N 5.792 2.016 6.225 1.00 . A A . 9 PHE N 1 1 18 5849 1 1 9 PHE O O 5.966 -0.697 3.846 1.00 . A A . 9 PHE O 1 1 18 5850 1 1 10 ILE C C 2.991 -1.719 4.139 1.00 . A A . 10 ILE C 1 1 18 5851 1 1 10 ILE CA C 3.983 -1.949 5.310 1.00 . A A . 10 ILE CA 1 1 18 5852 1 1 10 ILE CB C 3.528 -2.794 6.531 1.00 . A A . 10 ILE CB 1 1 18 5853 1 1 10 ILE CD1 C 4.106 -3.035 9.053 1.00 . A A . 10 ILE CD1 1 1 18 5854 1 1 10 ILE CG1 C 4.624 -2.910 7.620 1.00 . A A . 10 ILE CG1 1 1 18 5855 1 1 10 ILE CG2 C 2.987 -4.192 6.137 1.00 . A A . 10 ILE CG2 1 1 18 5856 1 1 10 ILE H H 4.392 -0.279 6.644 1.00 . A A . 10 ILE H 1 1 18 5857 1 1 10 ILE HA H 4.720 -2.542 4.857 1.00 . A A . 10 ILE HA 1 1 18 5858 1 1 10 ILE HB H 2.707 -2.263 6.972 1.00 . A A . 10 ILE HB 1 1 18 5859 1 1 10 ILE HD11 H 3.426 -3.896 9.168 1.00 . A A . 10 ILE HD11 1 1 18 5860 1 1 10 ILE HD12 H 3.558 -2.123 9.349 1.00 . A A . 10 ILE HD12 1 1 18 5861 1 1 10 ILE HD13 H 4.947 -3.148 9.757 1.00 . A A . 10 ILE HD13 1 1 18 5862 1 1 10 ILE HG12 H 5.257 -3.750 7.342 1.00 . A A . 10 ILE HG12 1 1 18 5863 1 1 10 ILE HG13 H 5.303 -2.037 7.615 1.00 . A A . 10 ILE HG13 1 1 18 5864 1 1 10 ILE HG21 H 2.134 -4.119 5.440 1.00 . A A . 10 ILE HG21 1 1 18 5865 1 1 10 ILE HG22 H 2.626 -4.757 7.017 1.00 . A A . 10 ILE HG22 1 1 18 5866 1 1 10 ILE HG23 H 3.762 -4.809 5.643 1.00 . A A . 10 ILE HG23 1 1 18 5867 1 1 10 ILE N N 4.630 -0.644 5.681 1.00 . A A . 10 ILE N 1 1 18 5868 1 1 10 ILE O O 3.143 -2.232 3.025 1.00 . A A . 10 ILE O 1 1 18 5869 1 1 11 ASN C C 1.553 0.567 2.430 1.00 . A A . 11 ASN C 1 1 18 5870 1 1 11 ASN CA C 0.972 -0.417 3.528 1.00 . A A . 11 ASN CA 1 1 18 5871 1 1 11 ASN CB C -0.276 0.064 4.301 1.00 . A A . 11 ASN CB 1 1 18 5872 1 1 11 ASN CG C -1.566 0.242 3.481 1.00 . A A . 11 ASN CG 1 1 18 5873 1 1 11 ASN H H 2.020 -0.869 5.470 1.00 . A A . 11 ASN H 1 1 18 5874 1 1 11 ASN HA H 0.621 -1.323 3.029 1.00 . A A . 11 ASN HA 1 1 18 5875 1 1 11 ASN HB2 H -0.489 -0.613 5.152 1.00 . A A . 11 ASN HB2 1 1 18 5876 1 1 11 ASN HB3 H -0.030 1.015 4.757 1.00 . A A . 11 ASN HB3 1 1 18 5877 1 1 11 ASN HD21 H -3.183 -0.685 2.735 1.00 . A A . 11 ASN HD21 1 1 18 5878 1 1 11 ASN HD22 H -1.994 -1.700 3.697 1.00 . A A . 11 ASN HD22 1 1 18 5879 1 1 11 ASN N N 2.021 -0.877 4.455 1.00 . A A . 11 ASN N 1 1 18 5880 1 1 11 ASN ND2 N -2.324 -0.824 3.280 1.00 . A A . 11 ASN ND2 1 1 18 5881 1 1 11 ASN O O 0.787 0.880 1.516 1.00 . A A . 11 ASN O 1 1 18 5882 1 1 11 ASN OD1 O -1.894 1.338 3.027 1.00 . A A . 11 ASN OD1 1 1 18 5883 1 1 12 ASN C C 3.932 1.093 0.161 1.00 . A A . 12 ASN C 1 1 18 5884 1 1 12 ASN CA C 3.440 1.937 1.407 1.00 . A A . 12 ASN CA 1 1 18 5885 1 1 12 ASN CB C 4.529 2.887 1.927 1.00 . A A . 12 ASN CB 1 1 18 5886 1 1 12 ASN CG C 4.142 3.895 3.018 1.00 . A A . 12 ASN CG 1 1 18 5887 1 1 12 ASN H H 3.290 1.112 3.386 1.00 . A A . 12 ASN H 1 1 18 5888 1 1 12 ASN HA H 2.693 2.633 1.046 1.00 . A A . 12 ASN HA 1 1 18 5889 1 1 12 ASN HB2 H 5.413 2.359 2.233 1.00 . A A . 12 ASN HB2 1 1 18 5890 1 1 12 ASN HB3 H 4.908 3.420 1.046 1.00 . A A . 12 ASN HB3 1 1 18 5891 1 1 12 ASN HD21 H 3.824 5.882 3.188 1.00 . A A . 12 ASN HD21 1 1 18 5892 1 1 12 ASN HD22 H 4.164 5.054 1.552 1.00 . A A . 12 ASN HD22 1 1 18 5893 1 1 12 ASN N N 2.844 1.067 2.472 1.00 . A A . 12 ASN N 1 1 18 5894 1 1 12 ASN ND2 N 3.904 5.087 2.544 1.00 . A A . 12 ASN ND2 1 1 18 5895 1 1 12 ASN O O 5.019 1.235 -0.403 1.00 . A A . 12 ASN O 1 1 18 5896 1 1 12 ASN OD1 O 4.091 3.628 4.215 1.00 . A A . 12 ASN OD1 1 1 18 5897 1 1 13 LYS C C 3.895 -1.902 -1.195 1.00 . A A . 13 LYS C 1 1 18 5898 1 1 13 LYS CA C 2.959 -0.693 -1.374 1.00 . A A . 13 LYS CA 1 1 18 5899 1 1 13 LYS CB C 2.955 0.038 -2.738 1.00 . A A . 13 LYS CB 1 1 18 5900 1 1 13 LYS CD C 1.476 2.176 -2.361 1.00 . A A . 13 LYS CD 1 1 18 5901 1 1 13 LYS CE C 0.132 2.389 -1.644 1.00 . A A . 13 LYS CE 1 1 18 5902 1 1 13 LYS CG C 1.613 0.771 -2.985 1.00 . A A . 13 LYS CG 1 1 18 5903 1 1 13 LYS H H 2.308 0.203 0.517 1.00 . A A . 13 LYS H 1 1 18 5904 1 1 13 LYS HA H 1.958 -1.122 -1.303 1.00 . A A . 13 LYS HA 1 1 18 5905 1 1 13 LYS HB2 H 3.820 0.720 -2.835 1.00 . A A . 13 LYS HB2 1 1 18 5906 1 1 13 LYS HB3 H 3.075 -0.718 -3.534 1.00 . A A . 13 LYS HB3 1 1 18 5907 1 1 13 LYS HD2 H 2.297 2.359 -1.646 1.00 . A A . 13 LYS HD2 1 1 18 5908 1 1 13 LYS HD3 H 1.618 2.926 -3.156 1.00 . A A . 13 LYS HD3 1 1 18 5909 1 1 13 LYS HE2 H -0.705 2.256 -2.353 1.00 . A A . 13 LYS HE2 1 1 18 5910 1 1 13 LYS HE3 H -0.002 1.617 -0.863 1.00 . A A . 13 LYS HE3 1 1 18 5911 1 1 13 LYS HG2 H 1.450 0.852 -4.065 1.00 . A A . 13 LYS HG2 1 1 18 5912 1 1 13 LYS HG3 H 0.795 0.119 -2.618 1.00 . A A . 13 LYS HG3 1 1 18 5913 1 1 13 LYS HZ1 H 0.135 4.444 -1.722 1.00 . A A . 13 LYS HZ1 1 1 18 5914 1 1 13 LYS HZ2 H -0.843 3.820 -0.519 1.00 . A A . 13 LYS HZ2 1 1 18 5915 1 1 13 LYS HZ3 H 0.779 3.825 -0.309 1.00 . A A . 13 LYS HZ3 1 1 18 5916 1 1 13 LYS N N 2.983 0.251 -0.245 1.00 . A A . 13 LYS N 1 1 18 5917 1 1 13 LYS NZ N 0.046 3.723 -1.021 1.00 . A A . 13 LYS NZ 1 1 18 5918 1 1 13 LYS O O 4.784 -2.135 -2.016 1.00 . A A . 13 LYS O 1 1 18 5919 1 1 14 HIS C C 5.939 -3.552 0.342 1.00 . A A . 14 HIS C 1 1 18 5920 1 1 14 HIS CA C 4.426 -3.927 0.235 1.00 . A A . 14 HIS CA 1 1 18 5921 1 1 14 HIS CB C 4.125 -5.144 -0.689 1.00 . A A . 14 HIS CB 1 1 18 5922 1 1 14 HIS CD2 C 2.168 -6.500 0.382 1.00 . A A . 14 HIS CD2 1 1 18 5923 1 1 14 HIS CE1 C 0.685 -6.138 -1.065 1.00 . A A . 14 HIS CE1 1 1 18 5924 1 1 14 HIS CG C 2.688 -5.675 -0.633 1.00 . A A . 14 HIS CG 1 1 18 5925 1 1 14 HIS H H 2.900 -2.354 0.503 1.00 . A A . 14 HIS H 1 1 18 5926 1 1 14 HIS HA H 4.115 -4.216 1.252 1.00 . A A . 14 HIS HA 1 1 18 5927 1 1 14 HIS HB2 H 4.395 -4.899 -1.734 1.00 . A A . 14 HIS HB2 1 1 18 5928 1 1 14 HIS HB3 H 4.804 -5.977 -0.420 1.00 . A A . 14 HIS HB3 1 1 18 5929 1 1 14 HIS HD2 H 2.717 -6.848 1.246 1.00 . A A . 14 HIS HD2 1 1 18 5930 1 1 14 HIS HE1 H -0.268 -6.170 -1.574 1.00 . A A . 14 HIS HE1 1 1 18 5931 1 1 14 HIS HE2 H 0.188 -7.390 0.645 1.00 . A A . 14 HIS HE2 1 1 18 5932 1 1 14 HIS N N 3.630 -2.708 -0.128 1.00 . A A . 14 HIS N 1 1 18 5933 1 1 14 HIS ND1 N 1.725 -5.421 -1.607 1.00 . A A . 14 HIS ND1 1 1 18 5934 1 1 14 HIS NE2 N 0.850 -6.813 0.115 1.00 . A A . 14 HIS NE2 1 1 18 5935 1 1 14 HIS O O 6.792 -4.177 -0.297 1.00 . A A . 14 HIS O 1 1 18 5936 1 1 15 LEU C C 8.208 -1.496 -0.023 1.00 . A A . 15 LEU C 1 1 18 5937 1 1 15 LEU CA C 7.630 -1.990 1.356 1.00 . A A . 15 LEU CA 1 1 18 5938 1 1 15 LEU CB C 8.533 -2.991 2.155 1.00 . A A . 15 LEU CB 1 1 18 5939 1 1 15 LEU CD1 C 6.977 -4.359 3.743 1.00 . A A . 15 LEU CD1 1 1 18 5940 1 1 15 LEU CD2 C 9.403 -4.055 4.283 1.00 . A A . 15 LEU CD2 1 1 18 5941 1 1 15 LEU CG C 8.168 -3.359 3.637 1.00 . A A . 15 LEU CG 1 1 18 5942 1 1 15 LEU H H 5.456 -2.122 1.694 1.00 . A A . 15 LEU H 1 1 18 5943 1 1 15 LEU HA H 7.558 -1.054 1.929 1.00 . A A . 15 LEU HA 1 1 18 5944 1 1 15 LEU HB2 H 8.656 -3.919 1.562 1.00 . A A . 15 LEU HB2 1 1 18 5945 1 1 15 LEU HB3 H 9.551 -2.558 2.153 1.00 . A A . 15 LEU HB3 1 1 18 5946 1 1 15 LEU HD11 H 7.133 -5.276 3.136 1.00 . A A . 15 LEU HD11 1 1 18 5947 1 1 15 LEU HD12 H 6.799 -4.714 4.777 1.00 . A A . 15 LEU HD12 1 1 18 5948 1 1 15 LEU HD13 H 6.013 -3.939 3.408 1.00 . A A . 15 LEU HD13 1 1 18 5949 1 1 15 LEU HD21 H 9.692 -4.987 3.753 1.00 . A A . 15 LEU HD21 1 1 18 5950 1 1 15 LEU HD22 H 10.307 -3.417 4.280 1.00 . A A . 15 LEU HD22 1 1 18 5951 1 1 15 LEU HD23 H 9.234 -4.348 5.336 1.00 . A A . 15 LEU HD23 1 1 18 5952 1 1 15 LEU HG H 7.927 -2.413 4.210 1.00 . A A . 15 LEU HG 1 1 18 5953 1 1 15 LEU N N 6.247 -2.505 1.156 1.00 . A A . 15 LEU N 1 1 18 5954 1 1 15 LEU O O 9.358 -1.806 -0.353 1.00 . A A . 15 LEU O 1 1 18 5955 1 1 16 ASN C C 8.335 -1.309 -3.101 1.00 . A A . 16 ASN C 1 1 18 5956 1 1 16 ASN CA C 7.812 -0.175 -2.155 1.00 . A A . 16 ASN CA 1 1 18 5957 1 1 16 ASN CB C 8.676 1.082 -1.981 1.00 . A A . 16 ASN CB 1 1 18 5958 1 1 16 ASN CG C 9.011 1.871 -3.252 1.00 . A A . 16 ASN CG 1 1 18 5959 1 1 16 ASN H H 6.484 -0.449 -0.440 1.00 . A A . 16 ASN H 1 1 18 5960 1 1 16 ASN HA H 6.909 0.244 -2.613 1.00 . A A . 16 ASN HA 1 1 18 5961 1 1 16 ASN HB2 H 8.175 1.729 -1.228 1.00 . A A . 16 ASN HB2 1 1 18 5962 1 1 16 ASN HB3 H 9.603 0.828 -1.510 1.00 . A A . 16 ASN HB3 1 1 18 5963 1 1 16 ASN HD21 H 8.511 3.640 -4.088 1.00 . A A . 16 ASN HD21 1 1 18 5964 1 1 16 ASN HD22 H 7.715 3.001 -2.529 1.00 . A A . 16 ASN HD22 1 1 18 5965 1 1 16 ASN N N 7.413 -0.707 -0.816 1.00 . A A . 16 ASN N 1 1 18 5966 1 1 16 ASN ND2 N 8.256 2.927 -3.396 1.00 . A A . 16 ASN ND2 1 1 18 5967 1 1 16 ASN O O 9.501 -1.316 -3.506 1.00 . A A . 16 ASN O 1 1 18 5968 1 1 16 ASN OD1 O 9.915 1.575 -4.032 1.00 . A A . 16 ASN OD1 1 1 18 5969 1 1 17 GLU C C 9.009 -4.260 -3.881 1.00 . A A . 17 GLU C 1 1 18 5970 1 1 17 GLU CA C 7.707 -3.474 -4.232 1.00 . A A . 17 GLU CA 1 1 18 5971 1 1 17 GLU CB C 7.473 -3.121 -5.705 1.00 . A A . 17 GLU CB 1 1 18 5972 1 1 17 GLU CD C 5.804 -2.332 -7.497 1.00 . A A . 17 GLU CD 1 1 18 5973 1 1 17 GLU CG C 6.044 -2.628 -6.016 1.00 . A A . 17 GLU CG 1 1 18 5974 1 1 17 GLU H H 6.456 -2.073 -3.319 1.00 . A A . 17 GLU H 1 1 18 5975 1 1 17 GLU HA H 6.866 -4.142 -4.041 1.00 . A A . 17 GLU HA 1 1 18 5976 1 1 17 GLU HB2 H 8.232 -2.399 -6.024 1.00 . A A . 17 GLU HB2 1 1 18 5977 1 1 17 GLU HB3 H 7.639 -4.036 -6.271 1.00 . A A . 17 GLU HB3 1 1 18 5978 1 1 17 GLU HE2 H 6.514 -0.568 -7.084 1.00 . A A . 17 GLU HE2 1 1 18 5979 1 1 17 GLU HG2 H 5.313 -3.368 -5.647 1.00 . A A . 17 GLU HG2 1 1 18 5980 1 1 17 GLU HG3 H 5.835 -1.740 -5.403 1.00 . A A . 17 GLU HG3 1 1 18 5981 1 1 17 GLU N N 7.451 -2.298 -3.380 1.00 . A A . 17 GLU N 1 1 18 5982 1 1 17 GLU O O 9.917 -4.385 -4.708 1.00 . A A . 17 GLU O 1 1 18 5983 1 1 17 GLU OE1 O 5.335 -3.154 -8.284 1.00 . A A . 17 GLU OE1 1 1 18 5984 1 1 17 GLU OE2 O 6.170 -1.056 -7.836 1.00 . A A . 17 GLU OE2 1 1 18 5985 1 1 18 HIS C C 11.561 -4.767 -2.146 1.00 . A A . 18 HIS C 1 1 18 5986 1 1 18 HIS CA C 10.207 -5.537 -2.054 1.00 . A A . 18 HIS CA 1 1 18 5987 1 1 18 HIS CB C 10.196 -6.972 -2.635 1.00 . A A . 18 HIS CB 1 1 18 5988 1 1 18 HIS CD2 C 11.183 -9.313 -2.304 1.00 . A A . 18 HIS CD2 1 1 18 5989 1 1 18 HIS CE1 C 12.250 -9.023 -0.518 1.00 . A A . 18 HIS CE1 1 1 18 5990 1 1 18 HIS CG C 11.052 -7.983 -1.889 1.00 . A A . 18 HIS CG 1 1 18 5991 1 1 18 HIS H H 8.181 -4.743 -2.120 1.00 . A A . 18 HIS H 1 1 18 5992 1 1 18 HIS HA H 9.972 -5.667 -0.980 1.00 . A A . 18 HIS HA 1 1 18 5993 1 1 18 HIS HB2 H 9.161 -7.367 -2.633 1.00 . A A . 18 HIS HB2 1 1 18 5994 1 1 18 HIS HB3 H 10.479 -6.949 -3.702 1.00 . A A . 18 HIS HB3 1 1 18 5995 1 1 18 HIS HD2 H 10.694 -9.716 -3.177 1.00 . A A . 18 HIS HD2 1 1 18 5996 1 1 18 HIS HE1 H 12.863 -9.235 0.347 1.00 . A A . 18 HIS HE1 1 1 18 5997 1 1 18 HIS HE2 H 12.252 -11.004 -1.420 1.00 . A A . 18 HIS HE2 1 1 18 5998 1 1 18 HIS N N 9.072 -4.760 -2.621 1.00 . A A . 18 HIS N 1 1 18 5999 1 1 18 HIS ND1 N 11.738 -7.759 -0.701 1.00 . A A . 18 HIS ND1 1 1 18 6000 1 1 18 HIS NE2 N 11.976 -10.016 -1.420 1.00 . A A . 18 HIS NE2 1 1 18 6001 1 1 18 HIS O O 12.298 -4.938 -3.122 1.00 . A A . 18 HIS O 1 1 18 6002 1 1 19 ALA C C 12.896 -1.768 -1.801 1.00 . A A . 19 ALA C 1 1 18 6003 1 1 19 ALA CA C 13.095 -3.104 -1.037 1.00 . A A . 19 ALA CA 1 1 18 6004 1 1 19 ALA CB C 14.430 -3.791 -1.402 1.00 . A A . 19 ALA CB 1 1 18 6005 1 1 19 ALA H H 11.104 -3.733 -0.462 1.00 . A A . 19 ALA H 1 1 18 6006 1 1 19 ALA HA H 13.186 -2.890 0.047 1.00 . A A . 19 ALA HA 1 1 18 6007 1 1 19 ALA HB1 H 14.540 -4.761 -0.880 1.00 . A A . 19 ALA HB1 1 1 18 6008 1 1 19 ALA HB2 H 14.527 -3.986 -2.486 1.00 . A A . 19 ALA HB2 1 1 18 6009 1 1 19 ALA HB3 H 15.293 -3.167 -1.108 1.00 . A A . 19 ALA HB3 1 1 18 6010 1 1 19 ALA N N 11.860 -3.925 -1.128 1.00 . A A . 19 ALA N 1 1 18 6011 1 1 19 ALA O O 12.581 -1.745 -2.995 1.00 . A A . 19 ALA O 1 1 18 6012 1 1 20 HIS C C 13.939 1.049 -2.791 1.00 . A A . 20 HIS C 1 1 18 6013 1 1 20 HIS CA C 12.999 0.727 -1.588 1.00 . A A . 20 HIS CA 1 1 18 6014 1 1 20 HIS CB C 13.275 1.679 -0.396 1.00 . A A . 20 HIS CB 1 1 18 6015 1 1 20 HIS CD2 C 12.774 4.058 0.419 1.00 . A A . 20 HIS CD2 1 1 18 6016 1 1 20 HIS CE1 C 11.328 4.632 -0.993 1.00 . A A . 20 HIS CE1 1 1 18 6017 1 1 20 HIS CG C 12.626 3.046 -0.536 1.00 . A A . 20 HIS CG 1 1 18 6018 1 1 20 HIS H H 13.237 -0.854 -0.075 1.00 . A A . 20 HIS H 1 1 18 6019 1 1 20 HIS HXT H 14.072 1.681 -4.632 1.00 . A A . 20 HIS HXT 1 1 18 6020 1 1 20 HIS HA H 11.940 0.866 -1.879 1.00 . A A . 20 HIS HA 1 1 18 6021 1 1 20 HIS HB2 H 12.902 1.262 0.559 1.00 . A A . 20 HIS HB2 1 1 18 6022 1 1 20 HIS HB3 H 14.361 1.775 -0.218 1.00 . A A . 20 HIS HB3 1 1 18 6023 1 1 20 HIS HD2 H 13.398 3.965 1.296 1.00 . A A . 20 HIS HD2 1 1 18 6024 1 1 20 HIS HE1 H 10.566 5.216 -1.489 1.00 . A A . 20 HIS HE1 1 1 18 6025 1 1 20 HIS HE2 H 11.770 5.987 0.653 1.00 . A A . 20 HIS HE2 1 1 18 6026 1 1 20 HIS N N 13.127 -0.662 -1.075 1.00 . A A . 20 HIS N 1 1 18 6027 1 1 20 HIS ND1 N 11.669 3.393 -1.483 1.00 . A A . 20 HIS ND1 1 1 18 6028 1 1 20 HIS NE2 N 11.940 5.119 0.132 1.00 . A A . 20 HIS NE2 1 1 18 6029 1 1 20 HIS O O 15.160 0.896 -2.724 1.00 . A A . 20 HIS O 1 1 18 6030 1 1 20 HIS OXT O 13.376 1.529 -3.989 1.00 . A A . 20 HIS OXT 1 1 19 6031 1 1 1 SER C C -2.954 9.332 11.701 1.00 . A A . 1 SER C 1 1 19 6032 1 1 1 SER CA C -2.295 10.723 11.966 1.00 . A A . 1 SER CA 1 1 19 6033 1 1 1 SER CB C -2.903 11.878 11.155 1.00 . A A . 1 SER CB 1 1 19 6034 1 1 1 SER H1 H -0.882 11.742 11.553 1.00 . A A . 1 SER H1 1 1 19 6035 1 1 1 SER H2 H -0.188 10.904 12.478 1.00 . A A . 1 SER H2 1 1 19 6036 1 1 1 SER H3 H -0.506 10.605 10.777 1.00 . A A . 1 SER H3 1 1 19 6037 1 1 1 SER HA H -2.476 10.986 12.996 1.00 . A A . 1 SER HA 1 1 19 6038 1 1 1 SER HB2 H -2.298 12.800 11.251 1.00 . A A . 1 SER HB2 1 1 19 6039 1 1 1 SER HB3 H -2.892 11.596 10.097 1.00 . A A . 1 SER HB3 1 1 19 6040 1 1 1 SER HG H -4.193 12.402 12.482 1.00 . A A . 1 SER HG 1 1 19 6041 1 1 1 SER N N -0.837 10.747 11.720 1.00 . A A . 1 SER N 1 1 19 6042 1 1 1 SER O O -4.019 9.245 11.086 1.00 . A A . 1 SER O 1 1 19 6043 1 1 1 SER OG O -4.241 12.148 11.557 1.00 . A A . 1 SER OG 1 1 19 6044 1 1 2 ASP C C -2.764 6.396 10.591 1.00 . A A . 2 ASP C 1 1 19 6045 1 1 2 ASP CA C -2.774 6.838 12.088 1.00 . A A . 2 ASP CA 1 1 19 6046 1 1 2 ASP CB C -4.114 6.636 12.863 1.00 . A A . 2 ASP CB 1 1 19 6047 1 1 2 ASP CG C -4.567 5.175 12.988 1.00 . A A . 2 ASP CG 1 1 19 6048 1 1 2 ASP H H -1.366 8.438 12.475 1.00 . A A . 2 ASP H 1 1 19 6049 1 1 2 ASP HA H -1.987 6.225 12.586 1.00 . A A . 2 ASP HA 1 1 19 6050 1 1 2 ASP HB2 H -4.113 7.077 13.886 1.00 . A A . 2 ASP HB2 1 1 19 6051 1 1 2 ASP HB3 H -4.867 7.237 12.339 1.00 . A A . 2 ASP HB3 1 1 19 6052 1 1 2 ASP HD2 H -5.732 5.580 11.481 1.00 . A A . 2 ASP HD2 1 1 19 6053 1 1 2 ASP N N -2.328 8.248 12.219 1.00 . A A . 2 ASP N 1 1 19 6054 1 1 2 ASP O O -3.811 6.324 9.934 1.00 . A A . 2 ASP O 1 1 19 6055 1 1 2 ASP OD1 O -4.120 4.400 13.833 1.00 . A A . 2 ASP OD1 1 1 19 6056 1 1 2 ASP OD2 O -5.514 4.840 12.054 1.00 . A A . 2 ASP OD2 1 1 19 6057 1 1 3 THR C C -2.025 6.487 7.615 1.00 . A A . 3 THR C 1 1 19 6058 1 1 3 THR CA C -1.260 5.652 8.692 1.00 . A A . 3 THR CA 1 1 19 6059 1 1 3 THR CB C -1.332 4.091 8.666 1.00 . A A . 3 THR CB 1 1 19 6060 1 1 3 THR CG2 C -2.653 3.442 9.099 1.00 . A A . 3 THR CG2 1 1 19 6061 1 1 3 THR H H -0.809 6.122 10.808 1.00 . A A . 3 THR H 1 1 19 6062 1 1 3 THR HA H -0.199 5.796 8.461 1.00 . A A . 3 THR HA 1 1 19 6063 1 1 3 THR HB H -0.559 3.715 9.361 1.00 . A A . 3 THR HB 1 1 19 6064 1 1 3 THR HG1 H -1.665 3.932 6.780 1.00 . A A . 3 THR HG1 1 1 19 6065 1 1 3 THR HG21 H -2.829 3.599 10.179 1.00 . A A . 3 THR HG21 1 1 19 6066 1 1 3 THR HG22 H -2.641 2.354 8.926 1.00 . A A . 3 THR HG22 1 1 19 6067 1 1 3 THR HG23 H -3.508 3.881 8.560 1.00 . A A . 3 THR HG23 1 1 19 6068 1 1 3 THR N N -1.532 6.131 10.085 1.00 . A A . 3 THR N 1 1 19 6069 1 1 3 THR O O -2.924 5.951 6.976 1.00 . A A . 3 THR O 1 1 19 6070 1 1 3 THR OG1 O -0.984 3.609 7.376 1.00 . A A . 3 THR OG1 1 1 19 6071 1 1 4 ARG C C -3.970 8.742 6.621 1.00 . A A . 4 ARG C 1 1 19 6072 1 1 4 ARG CA C -2.406 8.681 6.439 1.00 . A A . 4 ARG CA 1 1 19 6073 1 1 4 ARG CB C -1.962 8.371 4.971 1.00 . A A . 4 ARG CB 1 1 19 6074 1 1 4 ARG CD C 0.185 9.891 4.749 1.00 . A A . 4 ARG CD 1 1 19 6075 1 1 4 ARG CG C -0.453 8.472 4.631 1.00 . A A . 4 ARG CG 1 1 19 6076 1 1 4 ARG CZ C 2.059 10.087 3.081 1.00 . A A . 4 ARG CZ 1 1 19 6077 1 1 4 ARG H H -1.030 8.258 8.043 1.00 . A A . 4 ARG H 1 1 19 6078 1 1 4 ARG HA H -2.054 9.691 6.695 1.00 . A A . 4 ARG HA 1 1 19 6079 1 1 4 ARG HB2 H -2.305 7.353 4.693 1.00 . A A . 4 ARG HB2 1 1 19 6080 1 1 4 ARG HB3 H -2.510 9.025 4.264 1.00 . A A . 4 ARG HB3 1 1 19 6081 1 1 4 ARG HD2 H -0.380 10.660 4.181 1.00 . A A . 4 ARG HD2 1 1 19 6082 1 1 4 ARG HD3 H 0.146 10.264 5.792 1.00 . A A . 4 ARG HD3 1 1 19 6083 1 1 4 ARG HE H 2.304 9.749 5.060 1.00 . A A . 4 ARG HE 1 1 19 6084 1 1 4 ARG HG2 H 0.104 7.733 5.245 1.00 . A A . 4 ARG HG2 1 1 19 6085 1 1 4 ARG HG3 H -0.327 8.082 3.599 1.00 . A A . 4 ARG HG3 1 1 19 6086 1 1 4 ARG HH11 H 0.257 10.290 2.210 1.00 . A A . 4 ARG HH11 1 1 19 6087 1 1 4 ARG HH12 H 1.729 10.413 1.121 1.00 . A A . 4 ARG HH12 1 1 19 6088 1 1 4 ARG HH21 H 3.680 10.216 1.911 1.00 . A A . 4 ARG HH21 1 1 19 6089 1 1 4 ARG HH22 H 3.956 9.916 3.701 1.00 . A A . 4 ARG HH22 1 1 19 6090 1 1 4 ARG N N -1.717 7.801 7.432 1.00 . A A . 4 ARG N 1 1 19 6091 1 1 4 ARG NE N 1.613 9.898 4.339 1.00 . A A . 4 ARG NE 1 1 19 6092 1 1 4 ARG NH1 N 1.266 10.283 2.029 1.00 . A A . 4 ARG NH1 1 1 19 6093 1 1 4 ARG NH2 N 3.363 10.071 2.877 1.00 . A A . 4 ARG NH2 1 1 19 6094 1 1 4 ARG O O -4.716 8.781 5.638 1.00 . A A . 4 ARG O 1 1 19 6095 1 1 5 TYR C C -6.786 7.653 7.717 1.00 . A A . 5 TYR C 1 1 19 6096 1 1 5 TYR CA C -5.889 8.820 8.278 1.00 . A A . 5 TYR CA 1 1 19 6097 1 1 5 TYR CB C -6.399 10.271 8.091 1.00 . A A . 5 TYR CB 1 1 19 6098 1 1 5 TYR CD1 C -7.775 10.828 10.163 1.00 . A A . 5 TYR CD1 1 1 19 6099 1 1 5 TYR CD2 C -8.885 10.848 8.017 1.00 . A A . 5 TYR CD2 1 1 19 6100 1 1 5 TYR CE1 C -8.969 11.184 10.784 1.00 . A A . 5 TYR CE1 1 1 19 6101 1 1 5 TYR CE2 C -10.079 11.205 8.640 1.00 . A A . 5 TYR CE2 1 1 19 6102 1 1 5 TYR CG C -7.725 10.651 8.774 1.00 . A A . 5 TYR CG 1 1 19 6103 1 1 5 TYR CZ C -10.122 11.373 10.023 1.00 . A A . 5 TYR CZ 1 1 19 6104 1 1 5 TYR H H -3.742 8.692 8.625 1.00 . A A . 5 TYR H 1 1 19 6105 1 1 5 TYR HA H -5.902 8.670 9.357 1.00 . A A . 5 TYR HA 1 1 19 6106 1 1 5 TYR HB2 H -5.635 10.994 8.441 1.00 . A A . 5 TYR HB2 1 1 19 6107 1 1 5 TYR HB3 H -6.439 10.423 7.013 1.00 . A A . 5 TYR HB3 1 1 19 6108 1 1 5 TYR HD1 H -6.888 10.688 10.766 1.00 . A A . 5 TYR HD1 1 1 19 6109 1 1 5 TYR HD2 H -8.869 10.722 6.944 1.00 . A A . 5 TYR HD2 1 1 19 6110 1 1 5 TYR HE1 H -8.998 11.317 11.856 1.00 . A A . 5 TYR HE1 1 1 19 6111 1 1 5 TYR HE2 H -10.971 11.351 8.048 1.00 . A A . 5 TYR HE2 1 1 19 6112 1 1 5 TYR HH H -11.983 11.814 9.969 1.00 . A A . 5 TYR HH 1 1 19 6113 1 1 5 TYR N N -4.449 8.773 7.893 1.00 . A A . 5 TYR N 1 1 19 6114 1 1 5 TYR O O -8.005 7.811 7.612 1.00 . A A . 5 TYR O 1 1 19 6115 1 1 5 TYR OH O -11.298 11.726 10.636 1.00 . A A . 5 TYR OH 1 1 19 6116 1 1 6 ASN C C -5.839 4.098 6.831 1.00 . A A . 6 ASN C 1 1 19 6117 1 1 6 ASN CA C -6.870 5.269 6.887 1.00 . A A . 6 ASN CA 1 1 19 6118 1 1 6 ASN CB C -7.553 5.433 5.470 1.00 . A A . 6 ASN CB 1 1 19 6119 1 1 6 ASN CG C -8.938 6.097 5.389 1.00 . A A . 6 ASN CG 1 1 19 6120 1 1 6 ASN H H -5.208 6.427 7.752 1.00 . A A . 6 ASN H 1 1 19 6121 1 1 6 ASN HA H -7.633 4.965 7.614 1.00 . A A . 6 ASN HA 1 1 19 6122 1 1 6 ASN HB2 H -6.851 5.951 4.778 1.00 . A A . 6 ASN HB2 1 1 19 6123 1 1 6 ASN HB3 H -7.647 4.437 4.985 1.00 . A A . 6 ASN HB3 1 1 19 6124 1 1 6 ASN HD21 H -10.895 5.880 5.772 1.00 . A A . 6 ASN HD21 1 1 19 6125 1 1 6 ASN HD22 H -9.793 4.486 6.226 1.00 . A A . 6 ASN HD22 1 1 19 6126 1 1 6 ASN N N -6.185 6.475 7.428 1.00 . A A . 6 ASN N 1 1 19 6127 1 1 6 ASN ND2 N -9.982 5.418 5.842 1.00 . A A . 6 ASN ND2 1 1 19 6128 1 1 6 ASN O O -5.881 3.153 7.621 1.00 . A A . 6 ASN O 1 1 19 6129 1 1 6 ASN OD1 O -9.081 7.220 4.907 1.00 . A A . 6 ASN OD1 1 1 19 6130 1 1 7 LYS C C -3.014 4.234 4.467 1.00 . A A . 7 LYS C 1 1 19 6131 1 1 7 LYS CA C -3.851 3.328 5.461 1.00 . A A . 7 LYS CA 1 1 19 6132 1 1 7 LYS CB C -4.323 1.891 5.105 1.00 . A A . 7 LYS CB 1 1 19 6133 1 1 7 LYS CD C -5.181 2.386 2.816 1.00 . A A . 7 LYS CD 1 1 19 6134 1 1 7 LYS CE C -5.913 3.700 2.586 1.00 . A A . 7 LYS CE 1 1 19 6135 1 1 7 LYS CG C -5.512 1.734 4.154 1.00 . A A . 7 LYS CG 1 1 19 6136 1 1 7 LYS H H -4.887 5.052 5.298 1.00 . A A . 7 LYS H 1 1 19 6137 1 1 7 LYS HA H -3.266 3.020 6.237 1.00 . A A . 7 LYS HA 1 1 19 6138 1 1 7 LYS HB2 H -3.458 1.320 4.729 1.00 . A A . 7 LYS HB2 1 1 19 6139 1 1 7 LYS HB3 H -4.609 1.369 6.040 1.00 . A A . 7 LYS HB3 1 1 19 6140 1 1 7 LYS HD2 H -4.097 2.623 2.803 1.00 . A A . 7 LYS HD2 1 1 19 6141 1 1 7 LYS HD3 H -5.322 1.672 2.020 1.00 . A A . 7 LYS HD3 1 1 19 6142 1 1 7 LYS HE2 H -5.999 4.204 3.564 1.00 . A A . 7 LYS HE2 1 1 19 6143 1 1 7 LYS HE3 H -5.230 4.344 2.015 1.00 . A A . 7 LYS HE3 1 1 19 6144 1 1 7 LYS HG2 H -5.741 0.668 4.022 1.00 . A A . 7 LYS HG2 1 1 19 6145 1 1 7 LYS HG3 H -6.417 2.177 4.616 1.00 . A A . 7 LYS HG3 1 1 19 6146 1 1 7 LYS HZ1 H -7.847 3.008 2.495 1.00 . A A . 7 LYS HZ1 1 1 19 6147 1 1 7 LYS HZ2 H -7.637 4.506 1.786 1.00 . A A . 7 LYS HZ2 1 1 19 6148 1 1 7 LYS HZ3 H -7.121 3.168 0.998 1.00 . A A . 7 LYS HZ3 1 1 19 6149 1 1 7 LYS N N -4.938 4.204 5.842 1.00 . A A . 7 LYS N 1 1 19 6150 1 1 7 LYS NZ N -7.230 3.577 1.933 1.00 . A A . 7 LYS NZ 1 1 19 6151 1 1 7 LYS O O -3.602 4.932 3.633 1.00 . A A . 7 LYS O 1 1 19 6152 1 1 8 ASP C C -1.251 4.762 2.093 1.00 . A A . 8 ASP C 1 1 19 6153 1 1 8 ASP CA C -0.876 5.237 3.550 1.00 . A A . 8 ASP CA 1 1 19 6154 1 1 8 ASP CB C 0.626 5.121 3.907 1.00 . A A . 8 ASP CB 1 1 19 6155 1 1 8 ASP CG C 1.628 5.911 3.050 1.00 . A A . 8 ASP CG 1 1 19 6156 1 1 8 ASP H H -1.232 4.256 5.459 1.00 . A A . 8 ASP H 1 1 19 6157 1 1 8 ASP HA H -1.114 6.296 3.644 1.00 . A A . 8 ASP HA 1 1 19 6158 1 1 8 ASP HB2 H 0.780 5.416 4.965 1.00 . A A . 8 ASP HB2 1 1 19 6159 1 1 8 ASP HB3 H 0.888 4.060 3.850 1.00 . A A . 8 ASP HB3 1 1 19 6160 1 1 8 ASP HD2 H 1.155 4.667 1.630 1.00 . A A . 8 ASP HD2 1 1 19 6161 1 1 8 ASP N N -1.668 4.424 4.560 1.00 . A A . 8 ASP N 1 1 19 6162 1 1 8 ASP O O -1.605 5.540 1.205 1.00 . A A . 8 ASP O 1 1 19 6163 1 1 8 ASP OD1 O 2.280 6.861 3.479 1.00 . A A . 8 ASP OD1 1 1 19 6164 1 1 8 ASP OD2 O 1.736 5.417 1.775 1.00 . A A . 8 ASP OD2 1 1 19 6165 1 1 9 PHE C C -1.305 1.097 1.404 1.00 . A A . 9 PHE C 1 1 19 6166 1 1 9 PHE CA C -1.554 2.582 0.852 1.00 . A A . 9 PHE CA 1 1 19 6167 1 1 9 PHE CB C -0.670 2.965 -0.371 1.00 . A A . 9 PHE CB 1 1 19 6168 1 1 9 PHE CD1 C -1.143 4.841 -2.039 1.00 . A A . 9 PHE CD1 1 1 19 6169 1 1 9 PHE CD2 C -2.252 2.713 -2.354 1.00 . A A . 9 PHE CD2 1 1 19 6170 1 1 9 PHE CE1 C -1.767 5.333 -3.193 1.00 . A A . 9 PHE CE1 1 1 19 6171 1 1 9 PHE CE2 C -2.874 3.210 -3.506 1.00 . A A . 9 PHE CE2 1 1 19 6172 1 1 9 PHE CG C -1.394 3.531 -1.609 1.00 . A A . 9 PHE CG 1 1 19 6173 1 1 9 PHE CZ C -2.629 4.515 -3.917 1.00 . A A . 9 PHE CZ 1 1 19 6174 1 1 9 PHE H H -0.679 3.035 2.755 1.00 . A A . 9 PHE H 1 1 19 6175 1 1 9 PHE HA H -2.608 2.817 0.608 1.00 . A A . 9 PHE HA 1 1 19 6176 1 1 9 PHE HB2 H 0.117 3.653 -0.027 1.00 . A A . 9 PHE HB2 1 1 19 6177 1 1 9 PHE HB3 H -0.093 2.096 -0.683 1.00 . A A . 9 PHE HB3 1 1 19 6178 1 1 9 PHE HD1 H -0.446 5.451 -1.475 1.00 . A A . 9 PHE HD1 1 1 19 6179 1 1 9 PHE HD2 H -2.396 1.688 -2.029 1.00 . A A . 9 PHE HD2 1 1 19 6180 1 1 9 PHE HE1 H -1.603 6.340 -3.562 1.00 . A A . 9 PHE HE1 1 1 19 6181 1 1 9 PHE HE2 H -3.543 2.609 -4.115 1.00 . A A . 9 PHE HE2 1 1 19 6182 1 1 9 PHE HZ H -3.105 4.894 -4.808 1.00 . A A . 9 PHE HZ 1 1 19 6183 1 1 9 PHE N N -1.218 3.427 1.988 1.00 . A A . 9 PHE N 1 1 19 6184 1 1 9 PHE O O -0.822 0.293 0.599 1.00 . A A . 9 PHE O 1 1 19 6185 1 1 10 ILE C C 0.226 -0.995 3.135 1.00 . A A . 10 ILE C 1 1 19 6186 1 1 10 ILE CA C -1.315 -0.758 3.162 1.00 . A A . 10 ILE CA 1 1 19 6187 1 1 10 ILE CB C -2.315 -1.751 2.507 1.00 . A A . 10 ILE CB 1 1 19 6188 1 1 10 ILE CD1 C -4.825 -1.484 1.923 1.00 . A A . 10 ILE CD1 1 1 19 6189 1 1 10 ILE CG1 C -3.759 -1.506 3.018 1.00 . A A . 10 ILE CG1 1 1 19 6190 1 1 10 ILE CG2 C -1.932 -3.246 2.615 1.00 . A A . 10 ILE CG2 1 1 19 6191 1 1 10 ILE H H -2.431 0.954 3.217 1.00 . A A . 10 ILE H 1 1 19 6192 1 1 10 ILE HA H -1.594 -0.801 4.219 1.00 . A A . 10 ILE HA 1 1 19 6193 1 1 10 ILE HB H -2.326 -1.478 1.464 1.00 . A A . 10 ILE HB 1 1 19 6194 1 1 10 ILE HD11 H -4.854 -2.433 1.363 1.00 . A A . 10 ILE HD11 1 1 19 6195 1 1 10 ILE HD12 H -5.823 -1.295 2.355 1.00 . A A . 10 ILE HD12 1 1 19 6196 1 1 10 ILE HD13 H -4.620 -0.667 1.204 1.00 . A A . 10 ILE HD13 1 1 19 6197 1 1 10 ILE HG12 H -3.987 -2.247 3.786 1.00 . A A . 10 ILE HG12 1 1 19 6198 1 1 10 ILE HG13 H -3.838 -0.532 3.536 1.00 . A A . 10 ILE HG13 1 1 19 6199 1 1 10 ILE HG21 H -0.962 -3.459 2.131 1.00 . A A . 10 ILE HG21 1 1 19 6200 1 1 10 ILE HG22 H -2.677 -3.895 2.118 1.00 . A A . 10 ILE HG22 1 1 19 6201 1 1 10 ILE HG23 H -1.854 -3.576 3.667 1.00 . A A . 10 ILE HG23 1 1 19 6202 1 1 10 ILE N N -1.591 0.637 2.696 1.00 . A A . 10 ILE N 1 1 19 6203 1 1 10 ILE O O 0.780 -1.521 2.165 1.00 . A A . 10 ILE O 1 1 19 6204 1 1 11 ASN C C 3.190 0.159 3.323 1.00 . A A . 11 ASN C 1 1 19 6205 1 1 11 ASN CA C 2.368 -0.641 4.421 1.00 . A A . 11 ASN CA 1 1 19 6206 1 1 11 ASN CB C 2.750 -2.129 4.625 1.00 . A A . 11 ASN CB 1 1 19 6207 1 1 11 ASN CG C 4.118 -2.393 5.285 1.00 . A A . 11 ASN CG 1 1 19 6208 1 1 11 ASN H H 0.288 -0.356 5.026 1.00 . A A . 11 ASN H 1 1 19 6209 1 1 11 ASN HA H 2.608 -0.236 5.421 1.00 . A A . 11 ASN HA 1 1 19 6210 1 1 11 ASN HB2 H 1.963 -2.645 5.213 1.00 . A A . 11 ASN HB2 1 1 19 6211 1 1 11 ASN HB3 H 2.711 -2.599 3.643 1.00 . A A . 11 ASN HB3 1 1 19 6212 1 1 11 ASN HD21 H 5.078 -2.676 7.023 1.00 . A A . 11 ASN HD21 1 1 19 6213 1 1 11 ASN HD22 H 3.265 -2.395 7.095 1.00 . A A . 11 ASN HD22 1 1 19 6214 1 1 11 ASN N N 0.895 -0.541 4.224 1.00 . A A . 11 ASN N 1 1 19 6215 1 1 11 ASN ND2 N 4.158 -2.513 6.602 1.00 . A A . 11 ASN ND2 1 1 19 6216 1 1 11 ASN O O 4.324 -0.240 3.036 1.00 . A A . 11 ASN O 1 1 19 6217 1 1 11 ASN OD1 O 5.147 -2.475 4.619 1.00 . A A . 11 ASN OD1 1 1 19 6218 1 1 12 ASN C C 3.667 1.214 0.393 1.00 . A A . 12 ASN C 1 1 19 6219 1 1 12 ASN CA C 3.406 2.067 1.669 1.00 . A A . 12 ASN CA 1 1 19 6220 1 1 12 ASN CB C 4.571 2.868 2.285 1.00 . A A . 12 ASN CB 1 1 19 6221 1 1 12 ASN CG C 5.349 3.800 1.346 1.00 . A A . 12 ASN CG 1 1 19 6222 1 1 12 ASN H H 1.719 1.589 2.880 1.00 . A A . 12 ASN H 1 1 19 6223 1 1 12 ASN HA H 2.737 2.862 1.358 1.00 . A A . 12 ASN HA 1 1 19 6224 1 1 12 ASN HB2 H 4.182 3.431 3.161 1.00 . A A . 12 ASN HB2 1 1 19 6225 1 1 12 ASN HB3 H 5.266 2.193 2.739 1.00 . A A . 12 ASN HB3 1 1 19 6226 1 1 12 ASN HD21 H 5.557 5.784 1.044 1.00 . A A . 12 ASN HD21 1 1 19 6227 1 1 12 ASN HD22 H 4.340 5.067 2.262 1.00 . A A . 12 ASN HD22 1 1 19 6228 1 1 12 ASN N N 2.685 1.284 2.709 1.00 . A A . 12 ASN N 1 1 19 6229 1 1 12 ASN ND2 N 4.978 5.045 1.459 1.00 . A A . 12 ASN ND2 1 1 19 6230 1 1 12 ASN O O 4.815 0.944 0.048 1.00 . A A . 12 ASN O 1 1 19 6231 1 1 12 ASN OD1 O 6.249 3.430 0.594 1.00 . A A . 12 ASN OD1 1 1 19 6232 1 1 13 LYS C C 3.253 -1.435 -1.337 1.00 . A A . 13 LYS C 1 1 19 6233 1 1 13 LYS CA C 2.621 -0.022 -1.537 1.00 . A A . 13 LYS CA 1 1 19 6234 1 1 13 LYS CB C 3.203 0.768 -2.751 1.00 . A A . 13 LYS CB 1 1 19 6235 1 1 13 LYS CD C 1.030 1.897 -3.699 1.00 . A A . 13 LYS CD 1 1 19 6236 1 1 13 LYS CE C 0.905 1.173 -5.053 1.00 . A A . 13 LYS CE 1 1 19 6237 1 1 13 LYS CG C 2.472 2.063 -3.181 1.00 . A A . 13 LYS CG 1 1 19 6238 1 1 13 LYS H H 1.679 1.064 0.130 1.00 . A A . 13 LYS H 1 1 19 6239 1 1 13 LYS HA H 1.579 -0.245 -1.780 1.00 . A A . 13 LYS HA 1 1 19 6240 1 1 13 LYS HB2 H 4.255 1.025 -2.535 1.00 . A A . 13 LYS HB2 1 1 19 6241 1 1 13 LYS HB3 H 3.253 0.101 -3.627 1.00 . A A . 13 LYS HB3 1 1 19 6242 1 1 13 LYS HD2 H 0.422 1.378 -2.933 1.00 . A A . 13 LYS HD2 1 1 19 6243 1 1 13 LYS HD3 H 0.587 2.906 -3.784 1.00 . A A . 13 LYS HD3 1 1 19 6244 1 1 13 LYS HE2 H 1.515 1.683 -5.821 1.00 . A A . 13 LYS HE2 1 1 19 6245 1 1 13 LYS HE3 H 1.294 0.141 -4.979 1.00 . A A . 13 LYS HE3 1 1 19 6246 1 1 13 LYS HG2 H 2.461 2.770 -2.328 1.00 . A A . 13 LYS HG2 1 1 19 6247 1 1 13 LYS HG3 H 3.075 2.576 -3.954 1.00 . A A . 13 LYS HG3 1 1 19 6248 1 1 13 LYS HZ1 H -1.065 0.628 -4.836 1.00 . A A . 13 LYS HZ1 1 1 19 6249 1 1 13 LYS HZ2 H -0.855 2.073 -5.649 1.00 . A A . 13 LYS HZ2 1 1 19 6250 1 1 13 LYS HZ3 H -0.551 0.667 -6.425 1.00 . A A . 13 LYS HZ3 1 1 19 6251 1 1 13 LYS N N 2.576 0.808 -0.295 1.00 . A A . 13 LYS N 1 1 19 6252 1 1 13 LYS NZ N -0.496 1.122 -5.508 1.00 . A A . 13 LYS NZ 1 1 19 6253 1 1 13 LYS O O 4.063 -1.879 -2.159 1.00 . A A . 13 LYS O 1 1 19 6254 1 1 14 HIS C C 4.903 -3.498 0.175 1.00 . A A . 14 HIS C 1 1 19 6255 1 1 14 HIS CA C 3.349 -3.532 0.086 1.00 . A A . 14 HIS CA 1 1 19 6256 1 1 14 HIS CB C 2.771 -4.654 -0.827 1.00 . A A . 14 HIS CB 1 1 19 6257 1 1 14 HIS CD2 C 0.663 -5.754 0.248 1.00 . A A . 14 HIS CD2 1 1 19 6258 1 1 14 HIS CE1 C -0.823 -4.860 -0.942 1.00 . A A . 14 HIS CE1 1 1 19 6259 1 1 14 HIS CG C 1.264 -4.892 -0.688 1.00 . A A . 14 HIS CG 1 1 19 6260 1 1 14 HIS H H 2.152 -1.687 0.327 1.00 . A A . 14 HIS H 1 1 19 6261 1 1 14 HIS HA H 2.992 -3.743 1.106 1.00 . A A . 14 HIS HA 1 1 19 6262 1 1 14 HIS HB2 H 3.024 -4.452 -1.885 1.00 . A A . 14 HIS HB2 1 1 19 6263 1 1 14 HIS HB3 H 3.290 -5.606 -0.600 1.00 . A A . 14 HIS HB3 1 1 19 6264 1 1 14 HIS HD2 H 1.193 -6.343 0.983 1.00 . A A . 14 HIS HD2 1 1 19 6265 1 1 14 HIS HE1 H -1.800 -4.608 -1.330 1.00 . A A . 14 HIS HE1 1 1 19 6266 1 1 14 HIS HE2 H -1.435 -6.256 0.611 1.00 . A A . 14 HIS HE2 1 1 19 6267 1 1 14 HIS N N 2.840 -2.165 -0.265 1.00 . A A . 14 HIS N 1 1 19 6268 1 1 14 HIS ND1 N 0.299 -4.289 -1.493 1.00 . A A . 14 HIS ND1 1 1 19 6269 1 1 14 HIS NE2 N -0.709 -5.748 0.093 1.00 . A A . 14 HIS NE2 1 1 19 6270 1 1 14 HIS O O 5.594 -4.122 -0.638 1.00 . A A . 14 HIS O 1 1 19 6271 1 1 15 LEU C C 7.590 -1.876 0.136 1.00 . A A . 15 LEU C 1 1 19 6272 1 1 15 LEU CA C 6.905 -2.561 1.378 1.00 . A A . 15 LEU CA 1 1 19 6273 1 1 15 LEU CB C 7.606 -3.897 1.803 1.00 . A A . 15 LEU CB 1 1 19 6274 1 1 15 LEU CD1 C 5.862 -5.362 3.068 1.00 . A A . 15 LEU CD1 1 1 19 6275 1 1 15 LEU CD2 C 8.319 -5.633 3.503 1.00 . A A . 15 LEU CD2 1 1 19 6276 1 1 15 LEU CG C 7.217 -4.593 3.152 1.00 . A A . 15 LEU CG 1 1 19 6277 1 1 15 LEU H H 4.775 -2.315 1.824 1.00 . A A . 15 LEU H 1 1 19 6278 1 1 15 LEU HA H 7.022 -1.811 2.174 1.00 . A A . 15 LEU HA 1 1 19 6279 1 1 15 LEU HB2 H 7.517 -4.626 0.968 1.00 . A A . 15 LEU HB2 1 1 19 6280 1 1 15 LEU HB3 H 8.696 -3.693 1.823 1.00 . A A . 15 LEU HB3 1 1 19 6281 1 1 15 LEU HD11 H 5.813 -6.053 2.201 1.00 . A A . 15 LEU HD11 1 1 19 6282 1 1 15 LEU HD12 H 4.987 -4.698 2.969 1.00 . A A . 15 LEU HD12 1 1 19 6283 1 1 15 LEU HD13 H 5.661 -5.986 3.960 1.00 . A A . 15 LEU HD13 1 1 19 6284 1 1 15 LEU HD21 H 8.110 -6.185 4.439 1.00 . A A . 15 LEU HD21 1 1 19 6285 1 1 15 LEU HD22 H 9.317 -5.173 3.627 1.00 . A A . 15 LEU HD22 1 1 19 6286 1 1 15 LEU HD23 H 8.443 -6.405 2.717 1.00 . A A . 15 LEU HD23 1 1 19 6287 1 1 15 LEU HG H 7.170 -3.811 3.966 1.00 . A A . 15 LEU HG 1 1 19 6288 1 1 15 LEU N N 5.439 -2.732 1.162 1.00 . A A . 15 LEU N 1 1 19 6289 1 1 15 LEU O O 8.770 -2.127 -0.127 1.00 . A A . 15 LEU O 1 1 19 6290 1 1 16 ASN C C 7.919 -1.313 -2.846 1.00 . A A . 16 ASN C 1 1 19 6291 1 1 16 ASN CA C 7.395 -0.259 -1.812 1.00 . A A . 16 ASN CA 1 1 19 6292 1 1 16 ASN CB C 8.304 0.906 -1.398 1.00 . A A . 16 ASN CB 1 1 19 6293 1 1 16 ASN CG C 8.715 1.862 -2.524 1.00 . A A . 16 ASN CG 1 1 19 6294 1 1 16 ASN H H 5.951 -0.709 -0.229 1.00 . A A . 16 ASN H 1 1 19 6295 1 1 16 ASN HA H 6.547 0.265 -2.264 1.00 . A A . 16 ASN HA 1 1 19 6296 1 1 16 ASN HB2 H 7.800 1.448 -0.570 1.00 . A A . 16 ASN HB2 1 1 19 6297 1 1 16 ASN HB3 H 9.196 0.535 -0.932 1.00 . A A . 16 ASN HB3 1 1 19 6298 1 1 16 ASN HD21 H 8.318 3.758 -3.094 1.00 . A A . 16 ASN HD21 1 1 19 6299 1 1 16 ASN HD22 H 7.448 2.929 -1.667 1.00 . A A . 16 ASN HD22 1 1 19 6300 1 1 16 ASN N N 6.881 -0.966 -0.600 1.00 . A A . 16 ASN N 1 1 19 6301 1 1 16 ASN ND2 N 8.013 2.962 -2.521 1.00 . A A . 16 ASN ND2 1 1 19 6302 1 1 16 ASN O O 9.103 -1.339 -3.199 1.00 . A A . 16 ASN O 1 1 19 6303 1 1 16 ASN OD1 O 9.623 1.637 -3.323 1.00 . A A . 16 ASN OD1 1 1 19 6304 1 1 17 GLU C C 8.343 -4.356 -3.732 1.00 . A A . 17 GLU C 1 1 19 6305 1 1 17 GLU CA C 7.258 -3.323 -4.206 1.00 . A A . 17 GLU CA 1 1 19 6306 1 1 17 GLU CB C 7.340 -2.807 -5.647 1.00 . A A . 17 GLU CB 1 1 19 6307 1 1 17 GLU CD C 6.144 -1.580 -7.565 1.00 . A A . 17 GLU CD 1 1 19 6308 1 1 17 GLU CG C 6.084 -2.039 -6.109 1.00 . A A . 17 GLU CG 1 1 19 6309 1 1 17 GLU H H 6.022 -1.954 -3.241 1.00 . A A . 17 GLU H 1 1 19 6310 1 1 17 GLU HA H 6.312 -3.865 -4.239 1.00 . A A . 17 GLU HA 1 1 19 6311 1 1 17 GLU HB2 H 8.253 -2.218 -5.768 1.00 . A A . 17 GLU HB2 1 1 19 6312 1 1 17 GLU HB3 H 7.431 -3.692 -6.271 1.00 . A A . 17 GLU HB3 1 1 19 6313 1 1 17 GLU HE2 H 6.804 -0.083 -8.619 1.00 . A A . 17 GLU HE2 1 1 19 6314 1 1 17 GLU HG2 H 5.188 -2.660 -5.932 1.00 . A A . 17 GLU HG2 1 1 19 6315 1 1 17 GLU HG3 H 5.931 -1.183 -5.435 1.00 . A A . 17 GLU HG3 1 1 19 6316 1 1 17 GLU N N 7.007 -2.226 -3.258 1.00 . A A . 17 GLU N 1 1 19 6317 1 1 17 GLU O O 9.190 -4.786 -4.520 1.00 . A A . 17 GLU O 1 1 19 6318 1 1 17 GLU OE1 O 5.680 -2.234 -8.500 1.00 . A A . 17 GLU OE1 1 1 19 6319 1 1 17 GLU OE2 O 6.768 -0.367 -7.702 1.00 . A A . 17 GLU OE2 1 1 19 6320 1 1 18 HIS C C 8.440 -7.021 -1.432 1.00 . A A . 18 HIS C 1 1 19 6321 1 1 18 HIS CA C 9.193 -5.726 -1.810 1.00 . A A . 18 HIS CA 1 1 19 6322 1 1 18 HIS CB C 10.119 -5.029 -0.772 1.00 . A A . 18 HIS CB 1 1 19 6323 1 1 18 HIS CD2 C 12.259 -5.402 0.601 1.00 . A A . 18 HIS CD2 1 1 19 6324 1 1 18 HIS CE1 C 12.736 -7.371 0.039 1.00 . A A . 18 HIS CE1 1 1 19 6325 1 1 18 HIS CG C 11.335 -5.853 -0.349 1.00 . A A . 18 HIS CG 1 1 19 6326 1 1 18 HIS H H 7.695 -4.184 -1.840 1.00 . A A . 18 HIS H 1 1 19 6327 1 1 18 HIS HA H 9.905 -6.054 -2.513 1.00 . A A . 18 HIS HA 1 1 19 6328 1 1 18 HIS HB2 H 10.476 -4.062 -1.172 1.00 . A A . 18 HIS HB2 1 1 19 6329 1 1 18 HIS HB3 H 9.565 -4.764 0.137 1.00 . A A . 18 HIS HB3 1 1 19 6330 1 1 18 HIS HD2 H 12.210 -4.429 1.065 1.00 . A A . 18 HIS HD2 1 1 19 6331 1 1 18 HIS HE1 H 13.241 -8.327 0.009 1.00 . A A . 18 HIS HE1 1 1 19 6332 1 1 18 HIS HE2 H 13.980 -6.383 1.528 1.00 . A A . 18 HIS HE2 1 1 19 6333 1 1 18 HIS N N 8.271 -4.766 -2.441 1.00 . A A . 18 HIS N 1 1 19 6334 1 1 18 HIS ND1 N 11.628 -7.154 -0.746 1.00 . A A . 18 HIS ND1 1 1 19 6335 1 1 18 HIS NE2 N 13.193 -6.384 0.871 1.00 . A A . 18 HIS NE2 1 1 19 6336 1 1 18 HIS O O 8.224 -7.907 -2.264 1.00 . A A . 18 HIS O 1 1 19 6337 1 1 19 ALA C C 8.353 -9.376 0.706 1.00 . A A . 19 ALA C 1 1 19 6338 1 1 19 ALA CA C 7.347 -8.203 0.502 1.00 . A A . 19 ALA CA 1 1 19 6339 1 1 19 ALA CB C 6.013 -8.600 -0.172 1.00 . A A . 19 ALA CB 1 1 19 6340 1 1 19 ALA H H 8.504 -6.262 0.289 1.00 . A A . 19 ALA H 1 1 19 6341 1 1 19 ALA HA H 7.053 -7.838 1.502 1.00 . A A . 19 ALA HA 1 1 19 6342 1 1 19 ALA HB1 H 5.474 -9.360 0.424 1.00 . A A . 19 ALA HB1 1 1 19 6343 1 1 19 ALA HB2 H 6.157 -9.026 -1.182 1.00 . A A . 19 ALA HB2 1 1 19 6344 1 1 19 ALA HB3 H 5.337 -7.732 -0.275 1.00 . A A . 19 ALA HB3 1 1 19 6345 1 1 19 ALA N N 8.073 -7.078 -0.156 1.00 . A A . 19 ALA N 1 1 19 6346 1 1 19 ALA O O 8.363 -10.353 -0.049 1.00 . A A . 19 ALA O 1 1 19 6347 1 1 20 HIS C C 9.660 -11.463 2.859 1.00 . A A . 20 HIS C 1 1 19 6348 1 1 20 HIS CA C 10.239 -10.240 2.096 1.00 . A A . 20 HIS CA 1 1 19 6349 1 1 20 HIS CB C 11.351 -9.513 2.896 1.00 . A A . 20 HIS CB 1 1 19 6350 1 1 20 HIS CD2 C 13.860 -9.654 3.398 1.00 . A A . 20 HIS CD2 1 1 19 6351 1 1 20 HIS CE1 C 14.426 -11.144 2.030 1.00 . A A . 20 HIS CE1 1 1 19 6352 1 1 20 HIS CG C 12.724 -10.143 2.740 1.00 . A A . 20 HIS CG 1 1 19 6353 1 1 20 HIS H H 9.175 -8.343 2.225 1.00 . A A . 20 HIS H 1 1 19 6354 1 1 20 HIS HXT H 9.421 -13.399 2.892 1.00 . A A . 20 HIS HXT 1 1 19 6355 1 1 20 HIS HA H 10.704 -10.553 1.145 1.00 . A A . 20 HIS HA 1 1 19 6356 1 1 20 HIS HB2 H 11.469 -8.461 2.568 1.00 . A A . 20 HIS HB2 1 1 19 6357 1 1 20 HIS HB3 H 11.087 -9.435 3.967 1.00 . A A . 20 HIS HB3 1 1 19 6358 1 1 20 HIS HD2 H 13.842 -8.829 4.093 1.00 . A A . 20 HIS HD2 1 1 19 6359 1 1 20 HIS HE1 H 15.051 -11.811 1.454 1.00 . A A . 20 HIS HE1 1 1 19 6360 1 1 20 HIS HE2 H 15.978 -10.162 3.200 1.00 . A A . 20 HIS HE2 1 1 19 6361 1 1 20 HIS N N 9.204 -9.244 1.746 1.00 . A A . 20 HIS N 1 1 19 6362 1 1 20 HIS ND1 N 13.067 -11.125 1.817 1.00 . A A . 20 HIS ND1 1 1 19 6363 1 1 20 HIS NE2 N 14.992 -10.309 2.957 1.00 . A A . 20 HIS NE2 1 1 19 6364 1 1 20 HIS O O 9.057 -11.340 3.927 1.00 . A A . 20 HIS O 1 1 19 6365 1 1 20 HIS OXT O 9.828 -12.750 2.314 1.00 . A A . 20 HIS OXT 1 1 20 6366 1 1 1 SER C C 3.294 -1.869 16.349 1.00 . A A . 1 SER C 1 1 20 6367 1 1 1 SER CA C 3.714 -2.187 17.824 1.00 . A A . 1 SER CA 1 1 20 6368 1 1 1 SER CB C 3.958 -3.678 18.107 1.00 . A A . 1 SER CB 1 1 20 6369 1 1 1 SER H1 H 2.413 -1.010 18.198 1.00 . A A . 1 SER H1 1 1 20 6370 1 1 1 SER H2 H 3.007 -0.973 19.497 1.00 . A A . 1 SER H2 1 1 20 6371 1 1 1 SER H3 H 1.842 -2.135 18.870 1.00 . A A . 1 SER H3 1 1 20 6372 1 1 1 SER HA H 4.672 -1.727 18.001 1.00 . A A . 1 SER HA 1 1 20 6373 1 1 1 SER HB2 H 4.084 -3.872 19.190 1.00 . A A . 1 SER HB2 1 1 20 6374 1 1 1 SER HB3 H 3.078 -4.241 17.778 1.00 . A A . 1 SER HB3 1 1 20 6375 1 1 1 SER HG H 4.941 -3.996 16.483 1.00 . A A . 1 SER HG 1 1 20 6376 1 1 1 SER N N 2.757 -1.704 18.848 1.00 . A A . 1 SER N 1 1 20 6377 1 1 1 SER O O 3.434 -2.700 15.446 1.00 . A A . 1 SER O 1 1 20 6378 1 1 1 SER OG O 5.108 -4.152 17.415 1.00 . A A . 1 SER OG 1 1 20 6379 1 1 2 ASP C C 3.332 0.860 14.039 1.00 . A A . 2 ASP C 1 1 20 6380 1 1 2 ASP CA C 2.368 -0.095 14.819 1.00 . A A . 2 ASP CA 1 1 20 6381 1 1 2 ASP CB C 0.974 0.595 15.125 1.00 . A A . 2 ASP CB 1 1 20 6382 1 1 2 ASP CG C 0.965 1.804 16.096 1.00 . A A . 2 ASP CG 1 1 20 6383 1 1 2 ASP H H 2.611 -0.098 16.959 1.00 . A A . 2 ASP H 1 1 20 6384 1 1 2 ASP HA H 2.316 -0.970 14.149 1.00 . A A . 2 ASP HA 1 1 20 6385 1 1 2 ASP HB2 H 0.522 0.982 14.197 1.00 . A A . 2 ASP HB2 1 1 20 6386 1 1 2 ASP HB3 H 0.224 -0.136 15.508 1.00 . A A . 2 ASP HB3 1 1 20 6387 1 1 2 ASP HD2 H -0.812 1.173 16.581 1.00 . A A . 2 ASP HD2 1 1 20 6388 1 1 2 ASP N N 2.826 -0.630 16.123 1.00 . A A . 2 ASP N 1 1 20 6389 1 1 2 ASP O O 2.911 1.444 13.036 1.00 . A A . 2 ASP O 1 1 20 6390 1 1 2 ASP OD1 O 1.893 2.605 16.211 1.00 . A A . 2 ASP OD1 1 1 20 6391 1 1 2 ASP OD2 O -0.205 1.883 16.807 1.00 . A A . 2 ASP OD2 1 1 20 6392 1 1 3 THR C C 5.467 3.287 14.015 1.00 . A A . 3 THR C 1 1 20 6393 1 1 3 THR CA C 5.732 1.762 13.971 1.00 . A A . 3 THR CA 1 1 20 6394 1 1 3 THR CB C 6.459 1.125 12.760 1.00 . A A . 3 THR CB 1 1 20 6395 1 1 3 THR CG2 C 5.580 0.762 11.573 1.00 . A A . 3 THR CG2 1 1 20 6396 1 1 3 THR H H 4.790 0.153 15.080 1.00 . A A . 3 THR H 1 1 20 6397 1 1 3 THR HA H 6.476 1.629 14.752 1.00 . A A . 3 THR HA 1 1 20 6398 1 1 3 THR HB H 6.900 0.178 13.124 1.00 . A A . 3 THR HB 1 1 20 6399 1 1 3 THR HG1 H 7.961 1.479 11.610 1.00 . A A . 3 THR HG1 1 1 20 6400 1 1 3 THR HG21 H 4.882 -0.053 11.840 1.00 . A A . 3 THR HG21 1 1 20 6401 1 1 3 THR HG22 H 6.174 0.412 10.712 1.00 . A A . 3 THR HG22 1 1 20 6402 1 1 3 THR HG23 H 4.969 1.626 11.260 1.00 . A A . 3 THR HG23 1 1 20 6403 1 1 3 THR N N 4.601 0.949 14.492 1.00 . A A . 3 THR N 1 1 20 6404 1 1 3 THR O O 6.106 4.005 14.791 1.00 . A A . 3 THR O 1 1 20 6405 1 1 3 THR OG1 O 7.520 1.964 12.312 1.00 . A A . 3 THR OG1 1 1 20 6406 1 1 4 ARG C C 2.584 5.271 12.879 1.00 . A A . 4 ARG C 1 1 20 6407 1 1 4 ARG CA C 4.138 5.179 13.122 1.00 . A A . 4 ARG CA 1 1 20 6408 1 1 4 ARG CB C 5.054 6.041 12.153 1.00 . A A . 4 ARG CB 1 1 20 6409 1 1 4 ARG CD C 3.852 5.795 9.866 1.00 . A A . 4 ARG CD 1 1 20 6410 1 1 4 ARG CG C 5.168 5.624 10.671 1.00 . A A . 4 ARG CG 1 1 20 6411 1 1 4 ARG CZ C 4.342 6.978 7.701 1.00 . A A . 4 ARG CZ 1 1 20 6412 1 1 4 ARG H H 3.990 3.001 12.776 1.00 . A A . 4 ARG H 1 1 20 6413 1 1 4 ARG HA H 4.239 5.502 14.165 1.00 . A A . 4 ARG HA 1 1 20 6414 1 1 4 ARG HB2 H 4.772 7.117 12.146 1.00 . A A . 4 ARG HB2 1 1 20 6415 1 1 4 ARG HB3 H 6.103 6.078 12.514 1.00 . A A . 4 ARG HB3 1 1 20 6416 1 1 4 ARG HD2 H 3.175 4.949 10.104 1.00 . A A . 4 ARG HD2 1 1 20 6417 1 1 4 ARG HD3 H 3.273 6.680 10.197 1.00 . A A . 4 ARG HD3 1 1 20 6418 1 1 4 ARG HE H 3.940 5.006 7.878 1.00 . A A . 4 ARG HE 1 1 20 6419 1 1 4 ARG HG2 H 5.992 6.222 10.227 1.00 . A A . 4 ARG HG2 1 1 20 6420 1 1 4 ARG HG3 H 5.545 4.586 10.612 1.00 . A A . 4 ARG HG3 1 1 20 6421 1 1 4 ARG HH11 H 4.363 5.928 5.996 1.00 . A A . 4 ARG HH11 1 1 20 6422 1 1 4 ARG HH12 H 4.721 7.725 5.882 1.00 . A A . 4 ARG HH12 1 1 20 6423 1 1 4 ARG HH21 H 4.733 8.950 7.610 1.00 . A A . 4 ARG HH21 1 1 20 6424 1 1 4 ARG HH22 H 4.386 8.242 9.266 1.00 . A A . 4 ARG HH22 1 1 20 6425 1 1 4 ARG N N 4.561 3.759 13.161 1.00 . A A . 4 ARG N 1 1 20 6426 1 1 4 ARG NE N 4.043 5.865 8.399 1.00 . A A . 4 ARG NE 1 1 20 6427 1 1 4 ARG NH1 N 4.490 6.866 6.394 1.00 . A A . 4 ARG NH1 1 1 20 6428 1 1 4 ARG NH2 N 4.504 8.181 8.250 1.00 . A A . 4 ARG NH2 1 1 20 6429 1 1 4 ARG O O 2.109 6.226 12.258 1.00 . A A . 4 ARG O 1 1 20 6430 1 1 5 TYR C C -0.172 4.063 11.810 1.00 . A A . 5 TYR C 1 1 20 6431 1 1 5 TYR CA C 0.278 4.295 13.306 1.00 . A A . 5 TYR CA 1 1 20 6432 1 1 5 TYR CB C -0.385 5.448 14.101 1.00 . A A . 5 TYR CB 1 1 20 6433 1 1 5 TYR CD1 C -2.475 4.440 15.159 1.00 . A A . 5 TYR CD1 1 1 20 6434 1 1 5 TYR CD2 C -2.748 6.279 13.617 1.00 . A A . 5 TYR CD2 1 1 20 6435 1 1 5 TYR CE1 C -3.855 4.387 15.340 1.00 . A A . 5 TYR CE1 1 1 20 6436 1 1 5 TYR CE2 C -4.129 6.224 13.800 1.00 . A A . 5 TYR CE2 1 1 20 6437 1 1 5 TYR CG C -1.911 5.383 14.293 1.00 . A A . 5 TYR CG 1 1 20 6438 1 1 5 TYR CZ C -4.683 5.280 14.659 1.00 . A A . 5 TYR CZ 1 1 20 6439 1 1 5 TYR H H 2.225 3.649 14.038 1.00 . A A . 5 TYR H 1 1 20 6440 1 1 5 TYR HA H -0.045 3.402 13.848 1.00 . A A . 5 TYR HA 1 1 20 6441 1 1 5 TYR HB2 H 0.075 5.520 15.107 1.00 . A A . 5 TYR HB2 1 1 20 6442 1 1 5 TYR HB3 H -0.078 6.364 13.598 1.00 . A A . 5 TYR HB3 1 1 20 6443 1 1 5 TYR HD1 H -1.846 3.743 15.695 1.00 . A A . 5 TYR HD1 1 1 20 6444 1 1 5 TYR HD2 H -2.335 7.018 12.947 1.00 . A A . 5 TYR HD2 1 1 20 6445 1 1 5 TYR HE1 H -4.281 3.654 16.010 1.00 . A A . 5 TYR HE1 1 1 20 6446 1 1 5 TYR HE2 H -4.767 6.918 13.271 1.00 . A A . 5 TYR HE2 1 1 20 6447 1 1 5 TYR HH H -6.454 5.906 14.299 1.00 . A A . 5 TYR HH 1 1 20 6448 1 1 5 TYR N N 1.763 4.350 13.460 1.00 . A A . 5 TYR N 1 1 20 6449 1 1 5 TYR O O -1.216 4.562 11.383 1.00 . A A . 5 TYR O 1 1 20 6450 1 1 5 TYR OH O -6.042 5.227 14.838 1.00 . A A . 5 TYR OH 1 1 20 6451 1 1 6 ASN C C 1.271 1.838 9.044 1.00 . A A . 6 ASN C 1 1 20 6452 1 1 6 ASN CA C 0.360 2.943 9.614 1.00 . A A . 6 ASN CA 1 1 20 6453 1 1 6 ASN CB C 0.713 4.095 8.575 1.00 . A A . 6 ASN CB 1 1 20 6454 1 1 6 ASN CG C -0.024 5.437 8.704 1.00 . A A . 6 ASN CG 1 1 20 6455 1 1 6 ASN H H 1.383 2.814 11.533 1.00 . A A . 6 ASN H 1 1 20 6456 1 1 6 ASN HA H -0.678 2.608 9.521 1.00 . A A . 6 ASN HA 1 1 20 6457 1 1 6 ASN HB2 H 1.812 4.282 8.556 1.00 . A A . 6 ASN HB2 1 1 20 6458 1 1 6 ASN HB3 H 0.597 3.743 7.518 1.00 . A A . 6 ASN HB3 1 1 20 6459 1 1 6 ASN HD21 H -1.737 6.409 8.322 1.00 . A A . 6 ASN HD21 1 1 20 6460 1 1 6 ASN HD22 H -1.642 4.642 7.833 1.00 . A A . 6 ASN HD22 1 1 20 6461 1 1 6 ASN N N 0.614 3.274 11.037 1.00 . A A . 6 ASN N 1 1 20 6462 1 1 6 ASN ND2 N -1.255 5.509 8.221 1.00 . A A . 6 ASN ND2 1 1 20 6463 1 1 6 ASN O O 0.896 1.343 7.977 1.00 . A A . 6 ASN O 1 1 20 6464 1 1 6 ASN OD1 O 0.506 6.412 9.235 1.00 . A A . 6 ASN OD1 1 1 20 6465 1 1 7 LYS C C 4.125 1.317 8.159 1.00 . A A . 7 LYS C 1 1 20 6466 1 1 7 LYS CA C 3.288 0.370 9.080 1.00 . A A . 7 LYS CA 1 1 20 6467 1 1 7 LYS CB C 2.687 -0.882 8.399 1.00 . A A . 7 LYS CB 1 1 20 6468 1 1 7 LYS CD C 2.148 -2.210 10.574 1.00 . A A . 7 LYS CD 1 1 20 6469 1 1 7 LYS CE C 1.146 -2.004 11.713 1.00 . A A . 7 LYS CE 1 1 20 6470 1 1 7 LYS CG C 1.637 -1.636 9.232 1.00 . A A . 7 LYS CG 1 1 20 6471 1 1 7 LYS H H 2.437 1.440 10.703 1.00 . A A . 7 LYS H 1 1 20 6472 1 1 7 LYS HA H 3.916 -0.118 9.827 1.00 . A A . 7 LYS HA 1 1 20 6473 1 1 7 LYS HB2 H 2.241 -0.624 7.425 1.00 . A A . 7 LYS HB2 1 1 20 6474 1 1 7 LYS HB3 H 3.531 -1.551 8.172 1.00 . A A . 7 LYS HB3 1 1 20 6475 1 1 7 LYS HD2 H 2.388 -3.274 10.423 1.00 . A A . 7 LYS HD2 1 1 20 6476 1 1 7 LYS HD3 H 3.096 -1.738 10.891 1.00 . A A . 7 LYS HD3 1 1 20 6477 1 1 7 LYS HE2 H 1.291 -0.979 12.108 1.00 . A A . 7 LYS HE2 1 1 20 6478 1 1 7 LYS HE3 H 0.115 -2.047 11.327 1.00 . A A . 7 LYS HE3 1 1 20 6479 1 1 7 LYS HG2 H 0.782 -0.952 9.397 1.00 . A A . 7 LYS HG2 1 1 20 6480 1 1 7 LYS HG3 H 1.215 -2.457 8.626 1.00 . A A . 7 LYS HG3 1 1 20 6481 1 1 7 LYS HZ1 H 0.638 -2.829 13.527 1.00 . A A . 7 LYS HZ1 1 1 20 6482 1 1 7 LYS HZ2 H 1.181 -3.947 12.409 1.00 . A A . 7 LYS HZ2 1 1 20 6483 1 1 7 LYS HZ3 H 2.261 -2.972 13.156 1.00 . A A . 7 LYS HZ3 1 1 20 6484 1 1 7 LYS N N 2.401 1.395 9.674 1.00 . A A . 7 LYS N 1 1 20 6485 1 1 7 LYS NZ N 1.305 -3.001 12.788 1.00 . A A . 7 LYS NZ 1 1 20 6486 1 1 7 LYS O O 3.713 1.443 6.999 1.00 . A A . 7 LYS O 1 1 20 6487 1 1 8 ASP C C 6.251 2.536 6.322 1.00 . A A . 8 ASP C 1 1 20 6488 1 1 8 ASP CA C 6.005 2.994 7.769 1.00 . A A . 8 ASP CA 1 1 20 6489 1 1 8 ASP CB C 7.305 3.388 8.504 1.00 . A A . 8 ASP CB 1 1 20 6490 1 1 8 ASP CG C 8.079 4.580 7.916 1.00 . A A . 8 ASP CG 1 1 20 6491 1 1 8 ASP H H 5.415 2.054 9.637 1.00 . A A . 8 ASP H 1 1 20 6492 1 1 8 ASP HA H 5.422 3.895 7.620 1.00 . A A . 8 ASP HA 1 1 20 6493 1 1 8 ASP HB2 H 7.121 3.599 9.575 1.00 . A A . 8 ASP HB2 1 1 20 6494 1 1 8 ASP HB3 H 7.945 2.500 8.484 1.00 . A A . 8 ASP HB3 1 1 20 6495 1 1 8 ASP HD2 H 7.948 6.517 7.795 1.00 . A A . 8 ASP HD2 1 1 20 6496 1 1 8 ASP N N 5.183 2.074 8.633 1.00 . A A . 8 ASP N 1 1 20 6497 1 1 8 ASP O O 6.236 3.348 5.391 1.00 . A A . 8 ASP O 1 1 20 6498 1 1 8 ASP OD1 O 9.133 4.462 7.293 1.00 . A A . 8 ASP OD1 1 1 20 6499 1 1 8 ASP OD2 O 7.460 5.778 8.165 1.00 . A A . 8 ASP OD2 1 1 20 6500 1 1 9 PHE C C 5.676 -0.623 4.613 1.00 . A A . 9 PHE C 1 1 20 6501 1 1 9 PHE CA C 6.634 0.558 4.926 1.00 . A A . 9 PHE CA 1 1 20 6502 1 1 9 PHE CB C 8.128 0.262 4.687 1.00 . A A . 9 PHE CB 1 1 20 6503 1 1 9 PHE CD1 C 9.714 2.259 4.749 1.00 . A A . 9 PHE CD1 1 1 20 6504 1 1 9 PHE CD2 C 8.810 1.579 2.609 1.00 . A A . 9 PHE CD2 1 1 20 6505 1 1 9 PHE CE1 C 10.380 3.320 4.128 1.00 . A A . 9 PHE CE1 1 1 20 6506 1 1 9 PHE CE2 C 9.480 2.643 1.992 1.00 . A A . 9 PHE CE2 1 1 20 6507 1 1 9 PHE CG C 8.916 1.391 3.993 1.00 . A A . 9 PHE CG 1 1 20 6508 1 1 9 PHE CZ C 10.259 3.507 2.754 1.00 . A A . 9 PHE CZ 1 1 20 6509 1 1 9 PHE H H 6.634 0.788 7.106 1.00 . A A . 9 PHE H 1 1 20 6510 1 1 9 PHE HA H 6.266 1.311 4.231 1.00 . A A . 9 PHE HA 1 1 20 6511 1 1 9 PHE HB2 H 8.582 0.022 5.653 1.00 . A A . 9 PHE HB2 1 1 20 6512 1 1 9 PHE HB3 H 8.236 -0.678 4.138 1.00 . A A . 9 PHE HB3 1 1 20 6513 1 1 9 PHE HD1 H 9.797 2.090 5.819 1.00 . A A . 9 PHE HD1 1 1 20 6514 1 1 9 PHE HD2 H 8.199 0.888 2.040 1.00 . A A . 9 PHE HD2 1 1 20 6515 1 1 9 PHE HE1 H 11.003 4.021 4.676 1.00 . A A . 9 PHE HE1 1 1 20 6516 1 1 9 PHE HE2 H 9.422 2.837 0.926 1.00 . A A . 9 PHE HE2 1 1 20 6517 1 1 9 PHE HZ H 10.774 4.328 2.277 1.00 . A A . 9 PHE HZ 1 1 20 6518 1 1 9 PHE N N 6.449 1.217 6.200 1.00 . A A . 9 PHE N 1 1 20 6519 1 1 9 PHE O O 5.456 -0.746 3.406 1.00 . A A . 9 PHE O 1 1 20 6520 1 1 10 ILE C C 2.930 -1.999 4.094 1.00 . A A . 10 ILE C 1 1 20 6521 1 1 10 ILE CA C 4.094 -2.530 4.999 1.00 . A A . 10 ILE CA 1 1 20 6522 1 1 10 ILE CB C 3.703 -3.578 6.084 1.00 . A A . 10 ILE CB 1 1 20 6523 1 1 10 ILE CD1 C 4.629 -4.498 8.336 1.00 . A A . 10 ILE CD1 1 1 20 6524 1 1 10 ILE CG1 C 4.920 -4.120 6.882 1.00 . A A . 10 ILE CG1 1 1 20 6525 1 1 10 ILE CG2 C 2.863 -4.763 5.536 1.00 . A A . 10 ILE CG2 1 1 20 6526 1 1 10 ILE H H 5.207 -1.412 6.529 1.00 . A A . 10 ILE H 1 1 20 6527 1 1 10 ILE HA H 4.678 -3.085 4.312 1.00 . A A . 10 ILE HA 1 1 20 6528 1 1 10 ILE HB H 3.068 -3.061 6.783 1.00 . A A . 10 ILE HB 1 1 20 6529 1 1 10 ILE HD11 H 3.818 -5.241 8.416 1.00 . A A . 10 ILE HD11 1 1 20 6530 1 1 10 ILE HD12 H 4.333 -3.605 8.917 1.00 . A A . 10 ILE HD12 1 1 20 6531 1 1 10 ILE HD13 H 5.530 -4.912 8.818 1.00 . A A . 10 ILE HD13 1 1 20 6532 1 1 10 ILE HG12 H 5.310 -4.974 6.325 1.00 . A A . 10 ILE HG12 1 1 20 6533 1 1 10 ILE HG13 H 5.754 -3.393 6.913 1.00 . A A . 10 ILE HG13 1 1 20 6534 1 1 10 ILE HG21 H 3.411 -5.334 4.764 1.00 . A A . 10 ILE HG21 1 1 20 6535 1 1 10 ILE HG22 H 1.916 -4.419 5.078 1.00 . A A . 10 ILE HG22 1 1 20 6536 1 1 10 ILE HG23 H 2.579 -5.474 6.333 1.00 . A A . 10 ILE HG23 1 1 20 6537 1 1 10 ILE N N 5.035 -1.452 5.503 1.00 . A A . 10 ILE N 1 1 20 6538 1 1 10 ILE O O 2.649 -2.512 3.006 1.00 . A A . 10 ILE O 1 1 20 6539 1 1 11 ASN C C 1.760 0.782 2.778 1.00 . A A . 11 ASN C 1 1 20 6540 1 1 11 ASN CA C 1.260 -0.161 3.939 1.00 . A A . 11 ASN CA 1 1 20 6541 1 1 11 ASN CB C 0.406 0.553 5.005 1.00 . A A . 11 ASN CB 1 1 20 6542 1 1 11 ASN CG C -0.955 1.104 4.540 1.00 . A A . 11 ASN CG 1 1 20 6543 1 1 11 ASN H H 2.757 -0.783 5.503 1.00 . A A . 11 ASN H 1 1 20 6544 1 1 11 ASN HA H 0.617 -0.920 3.502 1.00 . A A . 11 ASN HA 1 1 20 6545 1 1 11 ASN HB2 H 0.241 -0.107 5.880 1.00 . A A . 11 ASN HB2 1 1 20 6546 1 1 11 ASN HB3 H 1.006 1.383 5.379 1.00 . A A . 11 ASN HB3 1 1 20 6547 1 1 11 ASN HD21 H -2.892 0.664 4.244 1.00 . A A . 11 ASN HD21 1 1 20 6548 1 1 11 ASN HD22 H -1.806 -0.671 4.886 1.00 . A A . 11 ASN HD22 1 1 20 6549 1 1 11 ASN N N 2.343 -0.923 4.592 1.00 . A A . 11 ASN N 1 1 20 6550 1 1 11 ASN ND2 N -1.991 0.282 4.554 1.00 . A A . 11 ASN ND2 1 1 20 6551 1 1 11 ASN O O 0.917 1.209 1.983 1.00 . A A . 11 ASN O 1 1 20 6552 1 1 11 ASN OD1 O -1.083 2.271 4.168 1.00 . A A . 11 ASN OD1 1 1 20 6553 1 1 12 ASN C C 3.928 1.103 0.270 1.00 . A A . 12 ASN C 1 1 20 6554 1 1 12 ASN CA C 3.645 1.959 1.567 1.00 . A A . 12 ASN CA 1 1 20 6555 1 1 12 ASN CB C 4.836 2.813 2.069 1.00 . A A . 12 ASN CB 1 1 20 6556 1 1 12 ASN CG C 5.304 3.939 1.133 1.00 . A A . 12 ASN CG 1 1 20 6557 1 1 12 ASN H H 3.693 0.651 3.312 1.00 . A A . 12 ASN H 1 1 20 6558 1 1 12 ASN HA H 2.905 2.706 1.330 1.00 . A A . 12 ASN HA 1 1 20 6559 1 1 12 ASN HB2 H 4.607 3.231 3.075 1.00 . A A . 12 ASN HB2 1 1 20 6560 1 1 12 ASN HB3 H 5.696 2.197 2.240 1.00 . A A . 12 ASN HB3 1 1 20 6561 1 1 12 ASN HD21 H 5.212 5.949 1.052 1.00 . A A . 12 ASN HD21 1 1 20 6562 1 1 12 ASN HD22 H 4.349 4.950 2.363 1.00 . A A . 12 ASN HD22 1 1 20 6563 1 1 12 ASN N N 3.079 1.126 2.667 1.00 . A A . 12 ASN N 1 1 20 6564 1 1 12 ASN ND2 N 4.807 5.100 1.460 1.00 . A A . 12 ASN ND2 1 1 20 6565 1 1 12 ASN O O 4.965 1.195 -0.388 1.00 . A A . 12 ASN O 1 1 20 6566 1 1 12 ASN OD1 O 6.097 3.784 0.205 1.00 . A A . 12 ASN OD1 1 1 20 6567 1 1 13 LYS C C 3.734 -1.834 -1.166 1.00 . A A . 13 LYS C 1 1 20 6568 1 1 13 LYS CA C 2.809 -0.601 -1.250 1.00 . A A . 13 LYS CA 1 1 20 6569 1 1 13 LYS CB C 2.801 0.170 -2.600 1.00 . A A . 13 LYS CB 1 1 20 6570 1 1 13 LYS CD C 0.300 0.928 -2.480 1.00 . A A . 13 LYS CD 1 1 20 6571 1 1 13 LYS CE C -0.576 2.004 -1.831 1.00 . A A . 13 LYS CE 1 1 20 6572 1 1 13 LYS CG C 1.780 1.332 -2.694 1.00 . A A . 13 LYS CG 1 1 20 6573 1 1 13 LYS H H 2.208 0.285 0.658 1.00 . A A . 13 LYS H 1 1 20 6574 1 1 13 LYS HA H 1.802 -1.017 -1.149 1.00 . A A . 13 LYS HA 1 1 20 6575 1 1 13 LYS HB2 H 3.812 0.574 -2.784 1.00 . A A . 13 LYS HB2 1 1 20 6576 1 1 13 LYS HB3 H 2.603 -0.547 -3.414 1.00 . A A . 13 LYS HB3 1 1 20 6577 1 1 13 LYS HD2 H -0.135 0.558 -3.422 1.00 . A A . 13 LYS HD2 1 1 20 6578 1 1 13 LYS HD3 H 0.225 0.073 -1.789 1.00 . A A . 13 LYS HD3 1 1 20 6579 1 1 13 LYS HE2 H -1.522 1.528 -1.516 1.00 . A A . 13 LYS HE2 1 1 20 6580 1 1 13 LYS HE3 H -0.088 2.350 -0.900 1.00 . A A . 13 LYS HE3 1 1 20 6581 1 1 13 LYS HG2 H 2.070 2.098 -1.948 1.00 . A A . 13 LYS HG2 1 1 20 6582 1 1 13 LYS HG3 H 1.886 1.837 -3.669 1.00 . A A . 13 LYS HG3 1 1 20 6583 1 1 13 LYS HZ1 H -1.457 3.817 -2.240 1.00 . A A . 13 LYS HZ1 1 1 20 6584 1 1 13 LYS HZ2 H -1.325 2.819 -3.575 1.00 . A A . 13 LYS HZ2 1 1 20 6585 1 1 13 LYS HZ3 H 0.004 3.590 -3.019 1.00 . A A . 13 LYS HZ3 1 1 20 6586 1 1 13 LYS N N 2.912 0.300 -0.081 1.00 . A A . 13 LYS N 1 1 20 6587 1 1 13 LYS NZ N -0.870 3.148 -2.716 1.00 . A A . 13 LYS NZ 1 1 20 6588 1 1 13 LYS O O 4.648 -1.996 -1.980 1.00 . A A . 13 LYS O 1 1 20 6589 1 1 14 HIS C C 5.732 -3.649 0.275 1.00 . A A . 14 HIS C 1 1 20 6590 1 1 14 HIS CA C 4.219 -3.980 0.089 1.00 . A A . 14 HIS CA 1 1 20 6591 1 1 14 HIS CB C 3.929 -5.103 -0.952 1.00 . A A . 14 HIS CB 1 1 20 6592 1 1 14 HIS CD2 C 1.924 -6.522 -0.067 1.00 . A A . 14 HIS CD2 1 1 20 6593 1 1 14 HIS CE1 C 0.489 -6.005 -1.515 1.00 . A A . 14 HIS CE1 1 1 20 6594 1 1 14 HIS CG C 2.485 -5.615 -0.987 1.00 . A A . 14 HIS CG 1 1 20 6595 1 1 14 HIS H H 2.703 -2.424 0.467 1.00 . A A . 14 HIS H 1 1 20 6596 1 1 14 HIS HA H 3.876 -4.360 1.063 1.00 . A A . 14 HIS HA 1 1 20 6597 1 1 14 HIS HB2 H 4.233 -4.768 -1.963 1.00 . A A . 14 HIS HB2 1 1 20 6598 1 1 14 HIS HB3 H 4.588 -5.969 -0.745 1.00 . A A . 14 HIS HB3 1 1 20 6599 1 1 14 HIS HD2 H 2.441 -6.955 0.775 1.00 . A A . 14 HIS HD2 1 1 20 6600 1 1 14 HIS HE1 H -0.449 -5.976 -2.053 1.00 . A A . 14 HIS HE1 1 1 20 6601 1 1 14 HIS HE2 H -0.075 -7.401 0.057 1.00 . A A . 14 HIS HE2 1 1 20 6602 1 1 14 HIS N N 3.445 -2.725 -0.178 1.00 . A A . 14 HIS N 1 1 20 6603 1 1 14 HIS ND1 N 1.553 -5.259 -1.958 1.00 . A A . 14 HIS ND1 1 1 20 6604 1 1 14 HIS NE2 N 0.610 -6.787 -0.398 1.00 . A A . 14 HIS NE2 1 1 20 6605 1 1 14 HIS O O 6.595 -4.210 -0.412 1.00 . A A . 14 HIS O 1 1 20 6606 1 1 15 LEU C C 8.078 -1.620 0.239 1.00 . A A . 15 LEU C 1 1 20 6607 1 1 15 LEU CA C 7.427 -2.267 1.515 1.00 . A A . 15 LEU CA 1 1 20 6608 1 1 15 LEU CB C 8.297 -3.352 2.223 1.00 . A A . 15 LEU CB 1 1 20 6609 1 1 15 LEU CD1 C 6.771 -5.111 3.385 1.00 . A A . 15 LEU CD1 1 1 20 6610 1 1 15 LEU CD2 C 9.056 -4.626 4.276 1.00 . A A . 15 LEU CD2 1 1 20 6611 1 1 15 LEU CG C 7.824 -3.976 3.583 1.00 . A A . 15 LEU CG 1 1 20 6612 1 1 15 LEU H H 5.232 -2.335 1.741 1.00 . A A . 15 LEU H 1 1 20 6613 1 1 15 LEU HA H 7.363 -1.408 2.193 1.00 . A A . 15 LEU HA 1 1 20 6614 1 1 15 LEU HB2 H 8.515 -4.162 1.501 1.00 . A A . 15 LEU HB2 1 1 20 6615 1 1 15 LEU HB3 H 9.280 -2.871 2.391 1.00 . A A . 15 LEU HB3 1 1 20 6616 1 1 15 LEU HD11 H 7.112 -5.893 2.676 1.00 . A A . 15 LEU HD11 1 1 20 6617 1 1 15 LEU HD12 H 6.532 -5.647 4.324 1.00 . A A . 15 LEU HD12 1 1 20 6618 1 1 15 LEU HD13 H 5.802 -4.753 2.996 1.00 . A A . 15 LEU HD13 1 1 20 6619 1 1 15 LEU HD21 H 9.865 -3.900 4.481 1.00 . A A . 15 LEU HD21 1 1 20 6620 1 1 15 LEU HD22 H 9.517 -5.427 3.660 1.00 . A A . 15 LEU HD22 1 1 20 6621 1 1 15 LEU HD23 H 8.806 -5.095 5.247 1.00 . A A . 15 LEU HD23 1 1 20 6622 1 1 15 LEU HG H 7.404 -3.162 4.247 1.00 . A A . 15 LEU HG 1 1 20 6623 1 1 15 LEU N N 6.036 -2.723 1.222 1.00 . A A . 15 LEU N 1 1 20 6624 1 1 15 LEU O O 9.256 -1.855 -0.046 1.00 . A A . 15 LEU O 1 1 20 6625 1 1 16 ASN C C 8.387 -1.096 -2.781 1.00 . A A . 16 ASN C 1 1 20 6626 1 1 16 ASN CA C 7.749 -0.094 -1.763 1.00 . A A . 16 ASN CA 1 1 20 6627 1 1 16 ASN CB C 8.518 1.182 -1.386 1.00 . A A . 16 ASN CB 1 1 20 6628 1 1 16 ASN CG C 8.847 2.139 -2.538 1.00 . A A . 16 ASN CG 1 1 20 6629 1 1 16 ASN H H 6.337 -0.632 -0.186 1.00 . A A . 16 ASN H 1 1 20 6630 1 1 16 ASN HA H 6.852 0.322 -2.235 1.00 . A A . 16 ASN HA 1 1 20 6631 1 1 16 ASN HB2 H 7.943 1.700 -0.590 1.00 . A A . 16 ASN HB2 1 1 20 6632 1 1 16 ASN HB3 H 9.437 0.931 -0.895 1.00 . A A . 16 ASN HB3 1 1 20 6633 1 1 16 ASN HD21 H 8.262 3.960 -3.182 1.00 . A A . 16 ASN HD21 1 1 20 6634 1 1 16 ASN HD22 H 7.454 3.092 -1.745 1.00 . A A . 16 ASN HD22 1 1 20 6635 1 1 16 ASN N N 7.303 -0.781 -0.517 1.00 . A A . 16 ASN N 1 1 20 6636 1 1 16 ASN ND2 N 8.032 3.156 -2.589 1.00 . A A . 16 ASN ND2 1 1 20 6637 1 1 16 ASN O O 9.567 -0.992 -3.128 1.00 . A A . 16 ASN O 1 1 20 6638 1 1 16 ASN OD1 O 9.793 1.989 -3.312 1.00 . A A . 16 ASN OD1 1 1 20 6639 1 1 17 GLU C C 9.226 -3.983 -3.707 1.00 . A A . 17 GLU C 1 1 20 6640 1 1 17 GLU CA C 7.960 -3.175 -4.130 1.00 . A A . 17 GLU CA 1 1 20 6641 1 1 17 GLU CB C 7.891 -2.678 -5.578 1.00 . A A . 17 GLU CB 1 1 20 6642 1 1 17 GLU CD C 6.431 -1.700 -7.456 1.00 . A A . 17 GLU CD 1 1 20 6643 1 1 17 GLU CG C 6.504 -2.153 -5.999 1.00 . A A . 17 GLU CG 1 1 20 6644 1 1 17 GLU H H 6.575 -1.944 -3.177 1.00 . A A . 17 GLU H 1 1 20 6645 1 1 17 GLU HA H 7.114 -3.864 -4.113 1.00 . A A . 17 GLU HA 1 1 20 6646 1 1 17 GLU HB2 H 8.678 -1.935 -5.741 1.00 . A A . 17 GLU HB2 1 1 20 6647 1 1 17 GLU HB3 H 8.122 -3.540 -6.201 1.00 . A A . 17 GLU HB3 1 1 20 6648 1 1 17 GLU HE2 H 5.984 -3.559 -7.831 1.00 . A A . 17 GLU HE2 1 1 20 6649 1 1 17 GLU HG2 H 5.734 -2.914 -5.778 1.00 . A A . 17 GLU HG2 1 1 20 6650 1 1 17 GLU HG3 H 6.233 -1.322 -5.331 1.00 . A A . 17 GLU HG3 1 1 20 6651 1 1 17 GLU N N 7.583 -2.108 -3.189 1.00 . A A . 17 GLU N 1 1 20 6652 1 1 17 GLU O O 10.257 -3.953 -4.386 1.00 . A A . 17 GLU O 1 1 20 6653 1 1 17 GLU OE1 O 6.639 -0.544 -7.819 1.00 . A A . 17 GLU OE1 1 1 20 6654 1 1 17 GLU OE2 O 6.109 -2.732 -8.302 1.00 . A A . 17 GLU OE2 1 1 20 6655 1 1 18 HIS C C 11.488 -4.762 -1.603 1.00 . A A . 18 HIS C 1 1 20 6656 1 1 18 HIS CA C 10.173 -5.525 -1.943 1.00 . A A . 18 HIS CA 1 1 20 6657 1 1 18 HIS CB C 10.358 -6.819 -2.769 1.00 . A A . 18 HIS CB 1 1 20 6658 1 1 18 HIS CD2 C 11.463 -9.133 -2.734 1.00 . A A . 18 HIS CD2 1 1 20 6659 1 1 18 HIS CE1 C 12.205 -9.177 -0.767 1.00 . A A . 18 HIS CE1 1 1 20 6660 1 1 18 HIS CG C 11.149 -7.932 -2.090 1.00 . A A . 18 HIS CG 1 1 20 6661 1 1 18 HIS H H 8.180 -4.740 -2.156 1.00 . A A . 18 HIS H 1 1 20 6662 1 1 18 HIS HA H 9.735 -5.882 -0.989 1.00 . A A . 18 HIS HA 1 1 20 6663 1 1 18 HIS HB2 H 9.362 -7.232 -3.018 1.00 . A A . 18 HIS HB2 1 1 20 6664 1 1 18 HIS HB3 H 10.806 -6.569 -3.745 1.00 . A A . 18 HIS HB3 1 1 20 6665 1 1 18 HIS HD2 H 11.153 -9.363 -3.742 1.00 . A A . 18 HIS HD2 1 1 20 6666 1 1 18 HIS HE1 H 12.703 -9.530 0.124 1.00 . A A . 18 HIS HE1 1 1 20 6667 1 1 18 HIS HE2 H 12.534 -10.912 -2.042 1.00 . A A . 18 HIS HE2 1 1 20 6668 1 1 18 HIS N N 9.118 -4.680 -2.548 1.00 . A A . 18 HIS N 1 1 20 6669 1 1 18 HIS ND1 N 11.612 -7.936 -0.779 1.00 . A A . 18 HIS ND1 1 1 20 6670 1 1 18 HIS NE2 N 12.168 -9.966 -1.887 1.00 . A A . 18 HIS NE2 1 1 20 6671 1 1 18 HIS O O 12.357 -4.579 -2.461 1.00 . A A . 18 HIS O 1 1 20 6672 1 1 19 ALA C C 13.785 -4.728 0.782 1.00 . A A . 19 ALA C 1 1 20 6673 1 1 19 ALA CA C 12.800 -3.662 0.211 1.00 . A A . 19 ALA CA 1 1 20 6674 1 1 19 ALA CB C 12.361 -2.609 1.247 1.00 . A A . 19 ALA CB 1 1 20 6675 1 1 19 ALA H H 10.789 -4.499 0.248 1.00 . A A . 19 ALA H 1 1 20 6676 1 1 19 ALA HA H 13.273 -3.107 -0.610 1.00 . A A . 19 ALA HA 1 1 20 6677 1 1 19 ALA HB1 H 11.808 -3.056 2.096 1.00 . A A . 19 ALA HB1 1 1 20 6678 1 1 19 ALA HB2 H 13.234 -2.077 1.672 1.00 . A A . 19 ALA HB2 1 1 20 6679 1 1 19 ALA HB3 H 11.712 -1.835 0.800 1.00 . A A . 19 ALA HB3 1 1 20 6680 1 1 19 ALA N N 11.609 -4.355 -0.327 1.00 . A A . 19 ALA N 1 1 20 6681 1 1 19 ALA O O 13.960 -4.880 1.996 1.00 . A A . 19 ALA O 1 1 20 6682 1 1 20 HIS C C 16.784 -6.011 0.700 1.00 . A A . 20 HIS C 1 1 20 6683 1 1 20 HIS CA C 15.413 -6.525 0.168 1.00 . A A . 20 HIS CA 1 1 20 6684 1 1 20 HIS CB C 15.510 -7.451 -1.073 1.00 . A A . 20 HIS CB 1 1 20 6685 1 1 20 HIS CD2 C 16.101 -9.855 -1.734 1.00 . A A . 20 HIS CD2 1 1 20 6686 1 1 20 HIS CE1 C 16.249 -10.733 0.169 1.00 . A A . 20 HIS CE1 1 1 20 6687 1 1 20 HIS CG C 15.932 -8.875 -0.749 1.00 . A A . 20 HIS CG 1 1 20 6688 1 1 20 HIS H H 14.010 -5.378 -1.073 1.00 . A A . 20 HIS H 1 1 20 6689 1 1 20 HIS HXT H 17.180 -5.100 -0.980 1.00 . A A . 20 HIS HXT 1 1 20 6690 1 1 20 HIS HA H 14.955 -7.141 0.961 1.00 . A A . 20 HIS HA 1 1 20 6691 1 1 20 HIS HB2 H 14.534 -7.540 -1.591 1.00 . A A . 20 HIS HB2 1 1 20 6692 1 1 20 HIS HB3 H 16.178 -7.017 -1.839 1.00 . A A . 20 HIS HB3 1 1 20 6693 1 1 20 HIS HD2 H 15.989 -9.669 -2.791 1.00 . A A . 20 HIS HD2 1 1 20 6694 1 1 20 HIS HE1 H 16.361 -11.487 0.935 1.00 . A A . 20 HIS HE1 1 1 20 6695 1 1 20 HIS HE2 H 16.441 -12.010 -1.584 1.00 . A A . 20 HIS HE2 1 1 20 6696 1 1 20 HIS N N 14.438 -5.451 -0.146 1.00 . A A . 20 HIS N 1 1 20 6697 1 1 20 HIS ND1 N 16.015 -9.425 0.524 1.00 . A A . 20 HIS ND1 1 1 20 6698 1 1 20 HIS NE2 N 16.325 -11.087 -1.152 1.00 . A A . 20 HIS NE2 1 1 20 6699 1 1 20 HIS O O 17.150 -6.289 1.841 1.00 . A A . 20 HIS O 1 1 20 6700 1 1 20 HIS OXT O 17.607 -5.225 -0.129 1.00 . A A . 20 HIS OXT 1 1 21 6701 1 1 1 SER C C -9.840 -0.932 9.908 1.00 . A A . 1 SER C 1 1 21 6702 1 1 1 SER CA C -10.437 -2.217 9.247 1.00 . A A . 1 SER CA 1 1 21 6703 1 1 1 SER CB C -10.687 -3.375 10.226 1.00 . A A . 1 SER CB 1 1 21 6704 1 1 1 SER H1 H -9.346 -1.819 7.883 1.00 . A A . 1 SER H1 1 1 21 6705 1 1 1 SER H2 H -10.001 -2.901 7.219 1.00 . A A . 1 SER H2 1 1 21 6706 1 1 1 SER H3 H -8.652 -2.976 8.350 1.00 . A A . 1 SER H3 1 1 21 6707 1 1 1 SER HA H -11.410 -1.951 8.867 1.00 . A A . 1 SER HA 1 1 21 6708 1 1 1 SER HB2 H -10.853 -4.327 9.687 1.00 . A A . 1 SER HB2 1 1 21 6709 1 1 1 SER HB3 H -9.788 -3.509 10.838 1.00 . A A . 1 SER HB3 1 1 21 6710 1 1 1 SER HG H -11.875 -3.860 11.660 1.00 . A A . 1 SER HG 1 1 21 6711 1 1 1 SER N N -9.616 -2.757 8.141 1.00 . A A . 1 SER N 1 1 21 6712 1 1 1 SER O O -9.810 -0.815 11.138 1.00 . A A . 1 SER O 1 1 21 6713 1 1 1 SER OG O -11.799 -3.105 11.073 1.00 . A A . 1 SER OG 1 1 21 6714 1 1 2 ASP C C -7.610 1.314 10.521 1.00 . A A . 2 ASP C 1 1 21 6715 1 1 2 ASP CA C -8.840 1.369 9.537 1.00 . A A . 2 ASP CA 1 1 21 6716 1 1 2 ASP CB C -10.073 2.197 10.049 1.00 . A A . 2 ASP CB 1 1 21 6717 1 1 2 ASP CG C -9.885 3.706 10.264 1.00 . A A . 2 ASP CG 1 1 21 6718 1 1 2 ASP H H -9.406 -0.215 8.104 1.00 . A A . 2 ASP H 1 1 21 6719 1 1 2 ASP HA H -8.421 1.843 8.624 1.00 . A A . 2 ASP HA 1 1 21 6720 1 1 2 ASP HB2 H -10.973 2.073 9.401 1.00 . A A . 2 ASP HB2 1 1 21 6721 1 1 2 ASP HB3 H -10.393 1.740 10.997 1.00 . A A . 2 ASP HB3 1 1 21 6722 1 1 2 ASP HD2 H -10.213 5.380 9.334 1.00 . A A . 2 ASP HD2 1 1 21 6723 1 1 2 ASP N N -9.401 0.053 9.086 1.00 . A A . 2 ASP N 1 1 21 6724 1 1 2 ASP O O -7.394 2.252 11.289 1.00 . A A . 2 ASP O 1 1 21 6725 1 1 2 ASP OD1 O -9.423 4.198 11.292 1.00 . A A . 2 ASP OD1 1 1 21 6726 1 1 2 ASP OD2 O -10.321 4.435 9.194 1.00 . A A . 2 ASP OD2 1 1 21 6727 1 1 3 THR C C -4.633 1.226 11.637 1.00 . A A . 3 THR C 1 1 21 6728 1 1 3 THR CA C -5.547 0.021 11.245 1.00 . A A . 3 THR CA 1 1 21 6729 1 1 3 THR CB C -4.795 -1.236 10.699 1.00 . A A . 3 THR CB 1 1 21 6730 1 1 3 THR CG2 C -4.253 -1.144 9.262 1.00 . A A . 3 THR CG2 1 1 21 6731 1 1 3 THR H H -7.053 -0.391 9.673 1.00 . A A . 3 THR H 1 1 21 6732 1 1 3 THR HA H -5.950 -0.325 12.205 1.00 . A A . 3 THR HA 1 1 21 6733 1 1 3 THR HB H -5.502 -2.089 10.718 1.00 . A A . 3 THR HB 1 1 21 6734 1 1 3 THR HG1 H -3.340 -2.388 11.208 1.00 . A A . 3 THR HG1 1 1 21 6735 1 1 3 THR HG21 H -3.807 -2.103 8.945 1.00 . A A . 3 THR HG21 1 1 21 6736 1 1 3 THR HG22 H -5.062 -0.909 8.549 1.00 . A A . 3 THR HG22 1 1 21 6737 1 1 3 THR HG23 H -3.481 -0.364 9.156 1.00 . A A . 3 THR HG23 1 1 21 6738 1 1 3 THR N N -6.762 0.269 10.405 1.00 . A A . 3 THR N 1 1 21 6739 1 1 3 THR O O -4.577 1.579 12.819 1.00 . A A . 3 THR O 1 1 21 6740 1 1 3 THR OG1 O -3.715 -1.579 11.563 1.00 . A A . 3 THR OG1 1 1 21 6741 1 1 4 ARG C C -3.786 4.279 10.297 1.00 . A A . 4 ARG C 1 1 21 6742 1 1 4 ARG CA C -3.063 3.010 10.863 1.00 . A A . 4 ARG CA 1 1 21 6743 1 1 4 ARG CB C -1.671 2.766 10.175 1.00 . A A . 4 ARG CB 1 1 21 6744 1 1 4 ARG CD C -0.900 0.778 11.740 1.00 . A A . 4 ARG CD 1 1 21 6745 1 1 4 ARG CG C -0.936 1.402 10.315 1.00 . A A . 4 ARG CG 1 1 21 6746 1 1 4 ARG CZ C 0.038 -1.294 12.791 1.00 . A A . 4 ARG CZ 1 1 21 6747 1 1 4 ARG H H -4.156 1.521 9.738 1.00 . A A . 4 ARG H 1 1 21 6748 1 1 4 ARG HA H -2.918 3.150 11.947 1.00 . A A . 4 ARG HA 1 1 21 6749 1 1 4 ARG HB2 H -1.765 2.936 9.082 1.00 . A A . 4 ARG HB2 1 1 21 6750 1 1 4 ARG HB3 H -0.968 3.563 10.486 1.00 . A A . 4 ARG HB3 1 1 21 6751 1 1 4 ARG HD2 H -0.540 1.502 12.496 1.00 . A A . 4 ARG HD2 1 1 21 6752 1 1 4 ARG HD3 H -1.924 0.512 12.078 1.00 . A A . 4 ARG HD3 1 1 21 6753 1 1 4 ARG HE H 0.503 -0.634 10.935 1.00 . A A . 4 ARG HE 1 1 21 6754 1 1 4 ARG HG2 H -1.393 0.690 9.595 1.00 . A A . 4 ARG HG2 1 1 21 6755 1 1 4 ARG HG3 H 0.088 1.533 9.905 1.00 . A A . 4 ARG HG3 1 1 21 6756 1 1 4 ARG HH11 H 1.341 -2.425 11.776 1.00 . A A . 4 ARG HH11 1 1 21 6757 1 1 4 ARG HH12 H 0.888 -2.977 13.467 1.00 . A A . 4 ARG HH12 1 1 21 6758 1 1 4 ARG HH21 H -0.477 -1.874 14.648 1.00 . A A . 4 ARG HH21 1 1 21 6759 1 1 4 ARG HH22 H -1.243 -0.335 14.011 1.00 . A A . 4 ARG HH22 1 1 21 6760 1 1 4 ARG N N -3.937 1.832 10.666 1.00 . A A . 4 ARG N 1 1 21 6761 1 1 4 ARG NE N -0.050 -0.436 11.756 1.00 . A A . 4 ARG NE 1 1 21 6762 1 1 4 ARG NH1 N 0.836 -2.338 12.664 1.00 . A A . 4 ARG NH1 1 1 21 6763 1 1 4 ARG NH2 N -0.629 -1.154 13.935 1.00 . A A . 4 ARG NH2 1 1 21 6764 1 1 4 ARG O O -3.212 5.021 9.494 1.00 . A A . 4 ARG O 1 1 21 6765 1 1 5 TYR C C -6.242 5.494 8.808 1.00 . A A . 5 TYR C 1 1 21 6766 1 1 5 TYR CA C -5.897 5.681 10.328 1.00 . A A . 5 TYR CA 1 1 21 6767 1 1 5 TYR CB C -5.304 7.038 10.776 1.00 . A A . 5 TYR CB 1 1 21 6768 1 1 5 TYR CD1 C -7.299 8.594 11.107 1.00 . A A . 5 TYR CD1 1 1 21 6769 1 1 5 TYR CD2 C -5.685 9.153 9.399 1.00 . A A . 5 TYR CD2 1 1 21 6770 1 1 5 TYR CE1 C -8.038 9.727 10.777 1.00 . A A . 5 TYR CE1 1 1 21 6771 1 1 5 TYR CE2 C -6.426 10.286 9.070 1.00 . A A . 5 TYR CE2 1 1 21 6772 1 1 5 TYR CG C -6.116 8.296 10.418 1.00 . A A . 5 TYR CG 1 1 21 6773 1 1 5 TYR CZ C -7.603 10.573 9.760 1.00 . A A . 5 TYR CZ 1 1 21 6774 1 1 5 TYR H H -5.471 3.712 11.171 1.00 . A A . 5 TYR H 1 1 21 6775 1 1 5 TYR HA H -6.815 5.653 10.932 1.00 . A A . 5 TYR HA 1 1 21 6776 1 1 5 TYR HB2 H -5.142 7.026 11.871 1.00 . A A . 5 TYR HB2 1 1 21 6777 1 1 5 TYR HB3 H -4.299 7.072 10.360 1.00 . A A . 5 TYR HB3 1 1 21 6778 1 1 5 TYR HD1 H -7.650 7.946 11.896 1.00 . A A . 5 TYR HD1 1 1 21 6779 1 1 5 TYR HD2 H -4.775 8.943 8.853 1.00 . A A . 5 TYR HD2 1 1 21 6780 1 1 5 TYR HE1 H -8.950 9.947 11.313 1.00 . A A . 5 TYR HE1 1 1 21 6781 1 1 5 TYR HE2 H -6.085 10.939 8.281 1.00 . A A . 5 TYR HE2 1 1 21 6782 1 1 5 TYR HH H -7.892 12.153 8.721 1.00 . A A . 5 TYR HH 1 1 21 6783 1 1 5 TYR N N -5.043 4.536 10.750 1.00 . A A . 5 TYR N 1 1 21 6784 1 1 5 TYR O O -5.710 6.231 7.971 1.00 . A A . 5 TYR O 1 1 21 6785 1 1 5 TYR OH O -8.332 11.690 9.436 1.00 . A A . 5 TYR OH 1 1 21 6786 1 1 6 ASN C C -6.381 3.402 6.275 1.00 . A A . 6 ASN C 1 1 21 6787 1 1 6 ASN CA C -7.497 4.199 7.037 1.00 . A A . 6 ASN CA 1 1 21 6788 1 1 6 ASN CB C -8.020 5.412 6.191 1.00 . A A . 6 ASN CB 1 1 21 6789 1 1 6 ASN CG C -9.222 6.188 6.760 1.00 . A A . 6 ASN CG 1 1 21 6790 1 1 6 ASN H H -7.277 3.766 9.162 1.00 . A A . 6 ASN H 1 1 21 6791 1 1 6 ASN HA H -8.369 3.519 7.110 1.00 . A A . 6 ASN HA 1 1 21 6792 1 1 6 ASN HB2 H -7.196 6.124 5.996 1.00 . A A . 6 ASN HB2 1 1 21 6793 1 1 6 ASN HB3 H -8.274 5.050 5.173 1.00 . A A . 6 ASN HB3 1 1 21 6794 1 1 6 ASN HD21 H -11.225 6.300 6.808 1.00 . A A . 6 ASN HD21 1 1 21 6795 1 1 6 ASN HD22 H -10.472 4.924 5.850 1.00 . A A . 6 ASN HD22 1 1 21 6796 1 1 6 ASN N N -7.091 4.493 8.450 1.00 . A A . 6 ASN N 1 1 21 6797 1 1 6 ASN ND2 N -10.432 5.784 6.410 1.00 . A A . 6 ASN ND2 1 1 21 6798 1 1 6 ASN O O -6.037 3.773 5.148 1.00 . A A . 6 ASN O 1 1 21 6799 1 1 6 ASN OD1 O -9.067 7.153 7.509 1.00 . A A . 6 ASN OD1 1 1 21 6800 1 1 7 LYS C C -3.376 2.097 5.897 1.00 . A A . 7 LYS C 1 1 21 6801 1 1 7 LYS CA C -4.770 1.469 6.172 1.00 . A A . 7 LYS CA 1 1 21 6802 1 1 7 LYS CB C -5.318 0.791 4.881 1.00 . A A . 7 LYS CB 1 1 21 6803 1 1 7 LYS CD C -6.902 -1.021 5.978 1.00 . A A . 7 LYS CD 1 1 21 6804 1 1 7 LYS CE C -6.011 -2.274 5.856 1.00 . A A . 7 LYS CE 1 1 21 6805 1 1 7 LYS CG C -6.700 0.091 4.922 1.00 . A A . 7 LYS CG 1 1 21 6806 1 1 7 LYS H H -6.183 2.010 7.755 1.00 . A A . 7 LYS H 1 1 21 6807 1 1 7 LYS HA H -4.528 0.605 6.796 1.00 . A A . 7 LYS HA 1 1 21 6808 1 1 7 LYS HB2 H -5.337 1.528 4.057 1.00 . A A . 7 LYS HB2 1 1 21 6809 1 1 7 LYS HB3 H -4.574 0.037 4.580 1.00 . A A . 7 LYS HB3 1 1 21 6810 1 1 7 LYS HD2 H -6.765 -0.585 6.984 1.00 . A A . 7 LYS HD2 1 1 21 6811 1 1 7 LYS HD3 H -7.964 -1.326 5.960 1.00 . A A . 7 LYS HD3 1 1 21 6812 1 1 7 LYS HE2 H -4.942 -1.994 5.865 1.00 . A A . 7 LYS HE2 1 1 21 6813 1 1 7 LYS HE3 H -6.159 -2.910 6.747 1.00 . A A . 7 LYS HE3 1 1 21 6814 1 1 7 LYS HG2 H -7.479 0.860 5.081 1.00 . A A . 7 LYS HG2 1 1 21 6815 1 1 7 LYS HG3 H -6.918 -0.318 3.919 1.00 . A A . 7 LYS HG3 1 1 21 6816 1 1 7 LYS HZ1 H -7.261 -3.386 4.658 1.00 . A A . 7 LYS HZ1 1 1 21 6817 1 1 7 LYS HZ2 H -5.668 -3.889 4.614 1.00 . A A . 7 LYS HZ2 1 1 21 6818 1 1 7 LYS HZ3 H -6.101 -2.534 3.809 1.00 . A A . 7 LYS HZ3 1 1 21 6819 1 1 7 LYS N N -5.806 2.308 6.851 1.00 . A A . 7 LYS N 1 1 21 6820 1 1 7 LYS NZ N -6.298 -3.081 4.654 1.00 . A A . 7 LYS NZ 1 1 21 6821 1 1 7 LYS O O -2.459 1.306 5.657 1.00 . A A . 7 LYS O 1 1 21 6822 1 1 8 ASP C C -1.344 3.609 4.259 1.00 . A A . 8 ASP C 1 1 21 6823 1 1 8 ASP CA C -1.804 4.084 5.692 1.00 . A A . 8 ASP CA 1 1 21 6824 1 1 8 ASP CB C -0.927 3.876 6.939 1.00 . A A . 8 ASP CB 1 1 21 6825 1 1 8 ASP CG C 0.573 4.171 6.817 1.00 . A A . 8 ASP CG 1 1 21 6826 1 1 8 ASP H H -3.852 3.891 6.567 1.00 . A A . 8 ASP H 1 1 21 6827 1 1 8 ASP HA H -1.832 5.188 5.631 1.00 . A A . 8 ASP HA 1 1 21 6828 1 1 8 ASP HB2 H -1.336 4.510 7.752 1.00 . A A . 8 ASP HB2 1 1 21 6829 1 1 8 ASP HB3 H -1.095 2.849 7.277 1.00 . A A . 8 ASP HB3 1 1 21 6830 1 1 8 ASP HD2 H 0.033 6.042 6.856 1.00 . A A . 8 ASP HD2 1 1 21 6831 1 1 8 ASP N N -3.148 3.443 5.987 1.00 . A A . 8 ASP N 1 1 21 6832 1 1 8 ASP O O -0.193 3.229 4.035 1.00 . A A . 8 ASP O 1 1 21 6833 1 1 8 ASP OD1 O 1.433 3.296 6.750 1.00 . A A . 8 ASP OD1 1 1 21 6834 1 1 8 ASP OD2 O 0.836 5.518 6.793 1.00 . A A . 8 ASP OD2 1 1 21 6835 1 1 9 PHE C C -1.758 1.688 1.817 1.00 . A A . 9 PHE C 1 1 21 6836 1 1 9 PHE CA C -2.187 3.220 1.895 1.00 . A A . 9 PHE CA 1 1 21 6837 1 1 9 PHE CB C -1.309 4.278 1.186 1.00 . A A . 9 PHE CB 1 1 21 6838 1 1 9 PHE CD1 C -0.028 4.207 -1.012 1.00 . A A . 9 PHE CD1 1 1 21 6839 1 1 9 PHE CD2 C -2.428 4.493 -1.103 1.00 . A A . 9 PHE CD2 1 1 21 6840 1 1 9 PHE CE1 C 0.035 4.331 -2.406 1.00 . A A . 9 PHE CE1 1 1 21 6841 1 1 9 PHE CE2 C -2.361 4.597 -2.497 1.00 . A A . 9 PHE CE2 1 1 21 6842 1 1 9 PHE CG C -1.261 4.290 -0.355 1.00 . A A . 9 PHE CG 1 1 21 6843 1 1 9 PHE CZ C -1.131 4.516 -3.140 1.00 . A A . 9 PHE CZ 1 1 21 6844 1 1 9 PHE H H -3.218 4.009 3.646 1.00 . A A . 9 PHE H 1 1 21 6845 1 1 9 PHE HA H -3.161 3.403 1.404 1.00 . A A . 9 PHE HA 1 1 21 6846 1 1 9 PHE HB2 H -1.665 5.276 1.514 1.00 . A A . 9 PHE HB2 1 1 21 6847 1 1 9 PHE HB3 H -0.308 4.183 1.612 1.00 . A A . 9 PHE HB3 1 1 21 6848 1 1 9 PHE HD1 H 0.871 4.073 -0.415 1.00 . A A . 9 PHE HD1 1 1 21 6849 1 1 9 PHE HD2 H -3.371 4.582 -0.574 1.00 . A A . 9 PHE HD2 1 1 21 6850 1 1 9 PHE HE1 H 0.971 4.299 -2.956 1.00 . A A . 9 PHE HE1 1 1 21 6851 1 1 9 PHE HE2 H -3.240 4.754 -3.115 1.00 . A A . 9 PHE HE2 1 1 21 6852 1 1 9 PHE HZ H -1.079 4.608 -4.215 1.00 . A A . 9 PHE HZ 1 1 21 6853 1 1 9 PHE N N -2.328 3.631 3.306 1.00 . A A . 9 PHE N 1 1 21 6854 1 1 9 PHE O O -0.968 1.381 0.920 1.00 . A A . 9 PHE O 1 1 21 6855 1 1 10 ILE C C -0.243 -0.858 2.772 1.00 . A A . 10 ILE C 1 1 21 6856 1 1 10 ILE CA C -1.796 -0.725 2.660 1.00 . A A . 10 ILE CA 1 1 21 6857 1 1 10 ILE CB C -2.610 -1.423 1.532 1.00 . A A . 10 ILE CB 1 1 21 6858 1 1 10 ILE CD1 C -5.051 -1.079 0.721 1.00 . A A . 10 ILE CD1 1 1 21 6859 1 1 10 ILE CG1 C -4.126 -1.474 1.869 1.00 . A A . 10 ILE CG1 1 1 21 6860 1 1 10 ILE CG2 C -2.111 -2.821 1.095 1.00 . A A . 10 ILE CG2 1 1 21 6861 1 1 10 ILE H H -3.103 0.755 3.234 1.00 . A A . 10 ILE H 1 1 21 6862 1 1 10 ILE HA H -2.180 -1.204 3.568 1.00 . A A . 10 ILE HA 1 1 21 6863 1 1 10 ILE HB H -2.526 -0.750 0.690 1.00 . A A . 10 ILE HB 1 1 21 6864 1 1 10 ILE HD11 H -4.914 -1.733 -0.156 1.00 . A A . 10 ILE HD11 1 1 21 6865 1 1 10 ILE HD12 H -6.106 -1.126 1.041 1.00 . A A . 10 ILE HD12 1 1 21 6866 1 1 10 ILE HD13 H -4.849 -0.036 0.409 1.00 . A A . 10 ILE HD13 1 1 21 6867 1 1 10 ILE HG12 H -4.360 -2.464 2.262 1.00 . A A . 10 ILE HG12 1 1 21 6868 1 1 10 ILE HG13 H -4.377 -0.777 2.685 1.00 . A A . 10 ILE HG13 1 1 21 6869 1 1 10 ILE HG21 H -2.763 -3.266 0.320 1.00 . A A . 10 ILE HG21 1 1 21 6870 1 1 10 ILE HG22 H -2.079 -3.531 1.943 1.00 . A A . 10 ILE HG22 1 1 21 6871 1 1 10 ILE HG23 H -1.099 -2.787 0.656 1.00 . A A . 10 ILE HG23 1 1 21 6872 1 1 10 ILE N N -2.203 0.712 2.713 1.00 . A A . 10 ILE N 1 1 21 6873 1 1 10 ILE O O 0.437 -1.215 1.805 1.00 . A A . 10 ILE O 1 1 21 6874 1 1 11 ASN C C 2.656 0.276 3.277 1.00 . A A . 11 ASN C 1 1 21 6875 1 1 11 ASN CA C 1.758 -0.556 4.291 1.00 . A A . 11 ASN CA 1 1 21 6876 1 1 11 ASN CB C 2.163 -2.043 4.481 1.00 . A A . 11 ASN CB 1 1 21 6877 1 1 11 ASN CG C 3.492 -2.312 5.213 1.00 . A A . 11 ASN CG 1 1 21 6878 1 1 11 ASN H H -0.390 -0.396 4.722 1.00 . A A . 11 ASN H 1 1 21 6879 1 1 11 ASN HA H 1.902 -0.167 5.315 1.00 . A A . 11 ASN HA 1 1 21 6880 1 1 11 ASN HB2 H 1.355 -2.597 5.004 1.00 . A A . 11 ASN HB2 1 1 21 6881 1 1 11 ASN HB3 H 2.199 -2.487 3.486 1.00 . A A . 11 ASN HB3 1 1 21 6882 1 1 11 ASN HD21 H 4.358 -2.600 7.000 1.00 . A A . 11 ASN HD21 1 1 21 6883 1 1 11 ASN HD22 H 2.544 -2.321 6.976 1.00 . A A . 11 ASN HD22 1 1 21 6884 1 1 11 ASN N N 0.297 -0.513 3.973 1.00 . A A . 11 ASN N 1 1 21 6885 1 1 11 ASN ND2 N 3.463 -2.420 6.532 1.00 . A A . 11 ASN ND2 1 1 21 6886 1 1 11 ASN O O 3.845 -0.037 3.157 1.00 . A A . 11 ASN O 1 1 21 6887 1 1 11 ASN OD1 O 4.550 -2.426 4.601 1.00 . A A . 11 ASN OD1 1 1 21 6888 1 1 12 ASN C C 3.413 1.247 0.411 1.00 . A A . 12 ASN C 1 1 21 6889 1 1 12 ASN CA C 2.930 2.149 1.588 1.00 . A A . 12 ASN CA 1 1 21 6890 1 1 12 ASN CB C 3.945 3.065 2.299 1.00 . A A . 12 ASN CB 1 1 21 6891 1 1 12 ASN CG C 4.743 4.028 1.409 1.00 . A A . 12 ASN CG 1 1 21 6892 1 1 12 ASN H H 1.157 1.585 2.648 1.00 . A A . 12 ASN H 1 1 21 6893 1 1 12 ASN HA H 2.243 2.871 1.154 1.00 . A A . 12 ASN HA 1 1 21 6894 1 1 12 ASN HB2 H 3.422 3.620 3.108 1.00 . A A . 12 ASN HB2 1 1 21 6895 1 1 12 ASN HB3 H 4.640 2.465 2.848 1.00 . A A . 12 ASN HB3 1 1 21 6896 1 1 12 ASN HD21 H 4.806 6.006 1.032 1.00 . A A . 12 ASN HD21 1 1 21 6897 1 1 12 ASN HD22 H 3.530 5.231 2.145 1.00 . A A . 12 ASN HD22 1 1 21 6898 1 1 12 ASN N N 2.150 1.340 2.567 1.00 . A A . 12 ASN N 1 1 21 6899 1 1 12 ASN ND2 N 4.247 5.235 1.414 1.00 . A A . 12 ASN ND2 1 1 21 6900 1 1 12 ASN O O 4.615 1.090 0.203 1.00 . A A . 12 ASN O 1 1 21 6901 1 1 12 ASN OD1 O 5.759 3.716 0.787 1.00 . A A . 12 ASN OD1 1 1 21 6902 1 1 13 LYS C C 3.493 -1.555 -1.132 1.00 . A A . 13 LYS C 1 1 21 6903 1 1 13 LYS CA C 2.729 -0.245 -1.504 1.00 . A A . 13 LYS CA 1 1 21 6904 1 1 13 LYS CB C 3.334 0.515 -2.725 1.00 . A A . 13 LYS CB 1 1 21 6905 1 1 13 LYS CD C 1.105 1.179 -3.957 1.00 . A A . 13 LYS CD 1 1 21 6906 1 1 13 LYS CE C 1.141 0.146 -5.105 1.00 . A A . 13 LYS CE 1 1 21 6907 1 1 13 LYS CG C 2.465 1.623 -3.366 1.00 . A A . 13 LYS CG 1 1 21 6908 1 1 13 LYS H H 1.492 0.853 -0.052 1.00 . A A . 13 LYS H 1 1 21 6909 1 1 13 LYS HA H 1.754 -0.618 -1.818 1.00 . A A . 13 LYS HA 1 1 21 6910 1 1 13 LYS HB2 H 4.301 0.959 -2.432 1.00 . A A . 13 LYS HB2 1 1 21 6911 1 1 13 LYS HB3 H 3.588 -0.210 -3.519 1.00 . A A . 13 LYS HB3 1 1 21 6912 1 1 13 LYS HD2 H 0.480 0.776 -3.139 1.00 . A A . 13 LYS HD2 1 1 21 6913 1 1 13 LYS HD3 H 0.560 2.077 -4.297 1.00 . A A . 13 LYS HD3 1 1 21 6914 1 1 13 LYS HE2 H 1.649 -0.781 -4.780 1.00 . A A . 13 LYS HE2 1 1 21 6915 1 1 13 LYS HE3 H 0.107 -0.158 -5.352 1.00 . A A . 13 LYS HE3 1 1 21 6916 1 1 13 LYS HG2 H 2.288 2.409 -2.610 1.00 . A A . 13 LYS HG2 1 1 21 6917 1 1 13 LYS HG3 H 3.055 2.123 -4.155 1.00 . A A . 13 LYS HG3 1 1 21 6918 1 1 13 LYS HZ1 H 1.300 1.469 -6.674 1.00 . A A . 13 LYS HZ1 1 1 21 6919 1 1 13 LYS HZ2 H 1.796 -0.082 -7.051 1.00 . A A . 13 LYS HZ2 1 1 21 6920 1 1 13 LYS HZ3 H 2.770 0.872 -6.148 1.00 . A A . 13 LYS HZ3 1 1 21 6921 1 1 13 LYS N N 2.456 0.660 -0.346 1.00 . A A . 13 LYS N 1 1 21 6922 1 1 13 LYS NZ N 1.785 0.651 -6.334 1.00 . A A . 13 LYS NZ 1 1 21 6923 1 1 13 LYS O O 4.347 -2.011 -1.898 1.00 . A A . 13 LYS O 1 1 21 6924 1 1 14 HIS C C 5.330 -3.228 0.635 1.00 . A A . 14 HIS C 1 1 21 6925 1 1 14 HIS CA C 3.792 -3.466 0.503 1.00 . A A . 14 HIS CA 1 1 21 6926 1 1 14 HIS CB C 3.402 -4.734 -0.313 1.00 . A A . 14 HIS CB 1 1 21 6927 1 1 14 HIS CD2 C 1.286 -5.789 0.790 1.00 . A A . 14 HIS CD2 1 1 21 6928 1 1 14 HIS CE1 C -0.109 -5.415 -0.741 1.00 . A A . 14 HIS CE1 1 1 21 6929 1 1 14 HIS CG C 1.917 -5.111 -0.268 1.00 . A A . 14 HIS CG 1 1 21 6930 1 1 14 HIS H H 2.398 -1.741 0.546 1.00 . A A . 14 HIS H 1 1 21 6931 1 1 14 HIS HA H 3.417 -3.625 1.526 1.00 . A A . 14 HIS HA 1 1 21 6932 1 1 14 HIS HB2 H 3.728 -4.621 -1.365 1.00 . A A . 14 HIS HB2 1 1 21 6933 1 1 14 HIS HB3 H 3.985 -5.596 0.061 1.00 . A A . 14 HIS HB3 1 1 21 6934 1 1 14 HIS HD2 H 1.769 -6.111 1.701 1.00 . A A . 14 HIS HD2 1 1 21 6935 1 1 14 HIS HE1 H -1.044 -5.395 -1.280 1.00 . A A . 14 HIS HE1 1 1 21 6936 1 1 14 HIS HE2 H -0.781 -6.456 1.048 1.00 . A A . 14 HIS HE2 1 1 21 6937 1 1 14 HIS N N 3.140 -2.207 0.008 1.00 . A A . 14 HIS N 1 1 21 6938 1 1 14 HIS ND1 N 1.015 -4.853 -1.297 1.00 . A A . 14 HIS ND1 1 1 21 6939 1 1 14 HIS NE2 N -0.048 -5.996 0.498 1.00 . A A . 14 HIS NE2 1 1 21 6940 1 1 14 HIS O O 6.135 -3.841 -0.077 1.00 . A A . 14 HIS O 1 1 21 6941 1 1 15 LEU C C 7.775 -1.269 0.517 1.00 . A A . 15 LEU C 1 1 21 6942 1 1 15 LEU CA C 7.127 -1.912 1.804 1.00 . A A . 15 LEU CA 1 1 21 6943 1 1 15 LEU CB C 7.988 -3.047 2.449 1.00 . A A . 15 LEU CB 1 1 21 6944 1 1 15 LEU CD1 C 6.500 -4.860 3.569 1.00 . A A . 15 LEU CD1 1 1 21 6945 1 1 15 LEU CD2 C 8.788 -4.385 4.448 1.00 . A A . 15 LEU CD2 1 1 21 6946 1 1 15 LEU CG C 7.543 -3.722 3.792 1.00 . A A . 15 LEU CG 1 1 21 6947 1 1 15 LEU H H 4.959 -1.892 2.105 1.00 . A A . 15 LEU H 1 1 21 6948 1 1 15 LEU HA H 7.092 -1.072 2.517 1.00 . A A . 15 LEU HA 1 1 21 6949 1 1 15 LEU HB2 H 8.173 -3.830 1.689 1.00 . A A . 15 LEU HB2 1 1 21 6950 1 1 15 LEU HB3 H 8.985 -2.593 2.609 1.00 . A A . 15 LEU HB3 1 1 21 6951 1 1 15 LEU HD11 H 5.531 -4.503 3.177 1.00 . A A . 15 LEU HD11 1 1 21 6952 1 1 15 LEU HD12 H 6.257 -5.410 4.500 1.00 . A A . 15 LEU HD12 1 1 21 6953 1 1 15 LEU HD13 H 6.851 -5.627 2.848 1.00 . A A . 15 LEU HD13 1 1 21 6954 1 1 15 LEU HD21 H 8.554 -4.891 5.403 1.00 . A A . 15 LEU HD21 1 1 21 6955 1 1 15 LEU HD22 H 9.594 -3.659 4.668 1.00 . A A . 15 LEU HD22 1 1 21 6956 1 1 15 LEU HD23 H 9.249 -5.159 3.798 1.00 . A A . 15 LEU HD23 1 1 21 6957 1 1 15 LEU HG H 7.128 -2.931 4.487 1.00 . A A . 15 LEU HG 1 1 21 6958 1 1 15 LEU N N 5.713 -2.302 1.548 1.00 . A A . 15 LEU N 1 1 21 6959 1 1 15 LEU O O 8.958 -1.496 0.239 1.00 . A A . 15 LEU O 1 1 21 6960 1 1 16 ASN C C 8.016 -0.785 -2.545 1.00 . A A . 16 ASN C 1 1 21 6961 1 1 16 ASN CA C 7.459 0.236 -1.502 1.00 . A A . 16 ASN CA 1 1 21 6962 1 1 16 ASN CB C 8.289 1.472 -1.138 1.00 . A A . 16 ASN CB 1 1 21 6963 1 1 16 ASN CG C 8.587 2.442 -2.288 1.00 . A A . 16 ASN CG 1 1 21 6964 1 1 16 ASN H H 6.038 -0.273 0.049 1.00 . A A . 16 ASN H 1 1 21 6965 1 1 16 ASN HA H 6.568 0.698 -1.944 1.00 . A A . 16 ASN HA 1 1 21 6966 1 1 16 ASN HB2 H 7.770 1.991 -0.302 1.00 . A A . 16 ASN HB2 1 1 21 6967 1 1 16 ASN HB3 H 9.216 1.175 -0.691 1.00 . A A . 16 ASN HB3 1 1 21 6968 1 1 16 ASN HD21 H 8.030 4.298 -2.864 1.00 . A A . 16 ASN HD21 1 1 21 6969 1 1 16 ASN HD22 H 7.281 3.430 -1.394 1.00 . A A . 16 ASN HD22 1 1 21 6970 1 1 16 ASN N N 7.008 -0.441 -0.255 1.00 . A A . 16 ASN N 1 1 21 6971 1 1 16 ASN ND2 N 7.811 3.491 -2.268 1.00 . A A . 16 ASN ND2 1 1 21 6972 1 1 16 ASN O O 9.197 -0.757 -2.905 1.00 . A A . 16 ASN O 1 1 21 6973 1 1 16 ASN OD1 O 9.468 2.270 -3.129 1.00 . A A . 16 ASN OD1 1 1 21 6974 1 1 17 GLU C C 8.659 -3.661 -3.617 1.00 . A A . 17 GLU C 1 1 21 6975 1 1 17 GLU CA C 7.393 -2.803 -3.923 1.00 . A A . 17 GLU CA 1 1 21 6976 1 1 17 GLU CB C 7.204 -2.287 -5.354 1.00 . A A . 17 GLU CB 1 1 21 6977 1 1 17 GLU CD C 5.583 -1.260 -7.079 1.00 . A A . 17 GLU CD 1 1 21 6978 1 1 17 GLU CG C 5.792 -1.725 -5.638 1.00 . A A . 17 GLU CG 1 1 21 6979 1 1 17 GLU H H 6.135 -1.511 -2.867 1.00 . A A . 17 GLU H 1 1 21 6980 1 1 17 GLU HA H 6.531 -3.467 -3.830 1.00 . A A . 17 GLU HA 1 1 21 6981 1 1 17 GLU HB2 H 7.987 -1.556 -5.578 1.00 . A A . 17 GLU HB2 1 1 21 6982 1 1 17 GLU HB3 H 7.358 -3.141 -6.009 1.00 . A A . 17 GLU HB3 1 1 21 6983 1 1 17 GLU HE2 H 5.834 0.331 -8.171 1.00 . A A . 17 GLU HE2 1 1 21 6984 1 1 17 GLU HG2 H 5.035 -2.481 -5.364 1.00 . A A . 17 GLU HG2 1 1 21 6985 1 1 17 GLU HG3 H 5.590 -0.902 -4.936 1.00 . A A . 17 GLU HG3 1 1 21 6986 1 1 17 GLU N N 7.132 -1.723 -2.958 1.00 . A A . 17 GLU N 1 1 21 6987 1 1 17 GLU O O 9.612 -3.701 -4.401 1.00 . A A . 17 GLU O 1 1 21 6988 1 1 17 GLU OE1 O 5.122 -1.982 -7.962 1.00 . A A . 17 GLU OE1 1 1 21 6989 1 1 17 GLU OE2 O 5.967 0.043 -7.265 1.00 . A A . 17 GLU OE2 1 1 21 6990 1 1 18 HIS C C 11.136 -4.537 -1.887 1.00 . A A . 18 HIS C 1 1 21 6991 1 1 18 HIS CA C 9.721 -5.206 -1.916 1.00 . A A . 18 HIS CA 1 1 21 6992 1 1 18 HIS CB C 9.618 -6.582 -2.623 1.00 . A A . 18 HIS CB 1 1 21 6993 1 1 18 HIS CD2 C 10.416 -9.013 -2.483 1.00 . A A . 18 HIS CD2 1 1 21 6994 1 1 18 HIS CE1 C 11.401 -8.983 -0.627 1.00 . A A . 18 HIS CE1 1 1 21 6995 1 1 18 HIS CG C 10.364 -7.722 -1.945 1.00 . A A . 18 HIS CG 1 1 21 6996 1 1 18 HIS H H 7.739 -4.286 -1.944 1.00 . A A . 18 HIS H 1 1 21 6997 1 1 18 HIS HA H 9.460 -5.407 -0.858 1.00 . A A . 18 HIS HA 1 1 21 6998 1 1 18 HIS HB2 H 8.559 -6.897 -2.690 1.00 . A A . 18 HIS HB2 1 1 21 6999 1 1 18 HIS HB3 H 9.946 -6.481 -3.672 1.00 . A A . 18 HIS HB3 1 1 21 7000 1 1 18 HIS HD2 H 9.941 -9.291 -3.412 1.00 . A A . 18 HIS HD2 1 1 21 7001 1 1 18 HIS HE1 H 11.944 -9.325 0.241 1.00 . A A . 18 HIS HE1 1 1 21 7002 1 1 18 HIS HE2 H 11.298 -10.862 -1.721 1.00 . A A . 18 HIS HE2 1 1 21 7003 1 1 18 HIS N N 8.635 -4.326 -2.435 1.00 . A A . 18 HIS N 1 1 21 7004 1 1 18 HIS ND1 N 10.997 -7.670 -0.708 1.00 . A A . 18 HIS ND1 1 1 21 7005 1 1 18 HIS NE2 N 11.103 -9.859 -1.637 1.00 . A A . 18 HIS NE2 1 1 21 7006 1 1 18 HIS O O 12.056 -4.982 -2.582 1.00 . A A . 18 HIS O 1 1 21 7007 1 1 19 ALA C C 13.150 -2.122 -2.219 1.00 . A A . 19 ALA C 1 1 21 7008 1 1 19 ALA CA C 12.543 -2.691 -0.898 1.00 . A A . 19 ALA CA 1 1 21 7009 1 1 19 ALA CB C 13.577 -3.480 -0.059 1.00 . A A . 19 ALA CB 1 1 21 7010 1 1 19 ALA H H 10.431 -3.213 -0.555 1.00 . A A . 19 ALA H 1 1 21 7011 1 1 19 ALA HA H 12.270 -1.825 -0.264 1.00 . A A . 19 ALA HA 1 1 21 7012 1 1 19 ALA HB1 H 13.158 -3.796 0.915 1.00 . A A . 19 ALA HB1 1 1 21 7013 1 1 19 ALA HB2 H 14.469 -2.866 0.163 1.00 . A A . 19 ALA HB2 1 1 21 7014 1 1 19 ALA HB3 H 13.928 -4.392 -0.577 1.00 . A A . 19 ALA HB3 1 1 21 7015 1 1 19 ALA N N 11.281 -3.466 -1.072 1.00 . A A . 19 ALA N 1 1 21 7016 1 1 19 ALA O O 13.977 -2.777 -2.864 1.00 . A A . 19 ALA O 1 1 21 7017 1 1 20 HIS C C 14.615 0.430 -3.590 1.00 . A A . 20 HIS C 1 1 21 7018 1 1 20 HIS CA C 13.225 -0.228 -3.837 1.00 . A A . 20 HIS CA 1 1 21 7019 1 1 20 HIS CB C 12.159 0.789 -4.317 1.00 . A A . 20 HIS CB 1 1 21 7020 1 1 20 HIS CD2 C 11.490 2.207 -6.348 1.00 . A A . 20 HIS CD2 1 1 21 7021 1 1 20 HIS CE1 C 12.867 1.501 -7.770 1.00 . A A . 20 HIS CE1 1 1 21 7022 1 1 20 HIS CG C 12.327 1.253 -5.758 1.00 . A A . 20 HIS CG 1 1 21 7023 1 1 20 HIS H H 11.958 -0.508 -2.076 1.00 . A A . 20 HIS H 1 1 21 7024 1 1 20 HIS HXT H 16.516 0.433 -4.027 1.00 . A A . 20 HIS HXT 1 1 21 7025 1 1 20 HIS HA H 13.281 -0.997 -4.623 1.00 . A A . 20 HIS HA 1 1 21 7026 1 1 20 HIS HB2 H 11.144 0.355 -4.256 1.00 . A A . 20 HIS HB2 1 1 21 7027 1 1 20 HIS HB3 H 12.129 1.669 -3.646 1.00 . A A . 20 HIS HB3 1 1 21 7028 1 1 20 HIS HD2 H 10.671 2.685 -5.834 1.00 . A A . 20 HIS HD2 1 1 21 7029 1 1 20 HIS HE1 H 13.381 1.373 -8.711 1.00 . A A . 20 HIS HE1 1 1 21 7030 1 1 20 HIS HE2 H 11.410 2.997 -8.387 1.00 . A A . 20 HIS HE2 1 1 21 7031 1 1 20 HIS N N 12.739 -0.899 -2.605 1.00 . A A . 20 HIS N 1 1 21 7032 1 1 20 HIS ND1 N 13.244 0.757 -6.676 1.00 . A A . 20 HIS ND1 1 1 21 7033 1 1 20 HIS NE2 N 11.833 2.394 -7.672 1.00 . A A . 20 HIS NE2 1 1 21 7034 1 1 20 HIS O O 14.763 1.373 -2.811 1.00 . A A . 20 HIS O 1 1 21 7035 1 1 20 HIS OXT O 15.737 -0.068 -4.279 1.00 . A A . 20 HIS OXT 1 1 22 7036 1 1 1 SER C C 11.376 9.607 3.351 1.00 . A A . 1 SER C 1 1 22 7037 1 1 1 SER CA C 10.546 10.582 2.448 1.00 . A A . 1 SER CA 1 1 22 7038 1 1 1 SER CB C 10.648 10.285 0.943 1.00 . A A . 1 SER CB 1 1 22 7039 1 1 1 SER H1 H 10.479 12.211 1.703 1.00 . A A . 1 SER H1 1 1 22 7040 1 1 1 SER H2 H 10.153 12.644 3.024 1.00 . A A . 1 SER H2 1 1 22 7041 1 1 1 SER H3 H 11.748 12.371 2.342 1.00 . A A . 1 SER H3 1 1 22 7042 1 1 1 SER HA H 9.507 10.423 2.687 1.00 . A A . 1 SER HA 1 1 22 7043 1 1 1 SER HB2 H 10.180 11.086 0.336 1.00 . A A . 1 SER HB2 1 1 22 7044 1 1 1 SER HB3 H 11.708 10.253 0.672 1.00 . A A . 1 SER HB3 1 1 22 7045 1 1 1 SER HG H 10.161 8.926 -0.329 1.00 . A A . 1 SER HG 1 1 22 7046 1 1 1 SER N N 10.842 12.022 2.626 1.00 . A A . 1 SER N 1 1 22 7047 1 1 1 SER O O 11.674 8.481 2.945 1.00 . A A . 1 SER O 1 1 22 7048 1 1 1 SER OG O 10.035 9.043 0.616 1.00 . A A . 1 SER OG 1 1 22 7049 1 1 2 ASP C C 11.785 9.386 7.013 1.00 . A A . 2 ASP C 1 1 22 7050 1 1 2 ASP CA C 12.446 9.238 5.595 1.00 . A A . 2 ASP CA 1 1 22 7051 1 1 2 ASP CB C 13.948 9.686 5.539 1.00 . A A . 2 ASP CB 1 1 22 7052 1 1 2 ASP CG C 14.973 8.698 6.129 1.00 . A A . 2 ASP CG 1 1 22 7053 1 1 2 ASP H H 11.323 10.950 4.808 1.00 . A A . 2 ASP H 1 1 22 7054 1 1 2 ASP HA H 12.344 8.188 5.317 1.00 . A A . 2 ASP HA 1 1 22 7055 1 1 2 ASP HB2 H 14.266 9.921 4.499 1.00 . A A . 2 ASP HB2 1 1 22 7056 1 1 2 ASP HB3 H 14.060 10.653 6.067 1.00 . A A . 2 ASP HB3 1 1 22 7057 1 1 2 ASP HD2 H 16.720 7.953 5.696 1.00 . A A . 2 ASP HD2 1 1 22 7058 1 1 2 ASP N N 11.705 10.035 4.584 1.00 . A A . 2 ASP N 1 1 22 7059 1 1 2 ASP O O 12.499 9.463 8.013 1.00 . A A . 2 ASP O 1 1 22 7060 1 1 2 ASP OD1 O 14.827 8.102 7.195 1.00 . A A . 2 ASP OD1 1 1 22 7061 1 1 2 ASP OD2 O 16.080 8.566 5.328 1.00 . A A . 2 ASP OD2 1 1 22 7062 1 1 3 THR C C 10.173 8.843 9.658 1.00 . A A . 3 THR C 1 1 22 7063 1 1 3 THR CA C 9.617 9.420 8.335 1.00 . A A . 3 THR CA 1 1 22 7064 1 1 3 THR CB C 8.184 9.034 7.882 1.00 . A A . 3 THR CB 1 1 22 7065 1 1 3 THR CG2 C 7.139 9.537 8.850 1.00 . A A . 3 THR CG2 1 1 22 7066 1 1 3 THR H H 9.862 9.058 6.309 1.00 . A A . 3 THR H 1 1 22 7067 1 1 3 THR HA H 9.561 10.478 8.518 1.00 . A A . 3 THR HA 1 1 22 7068 1 1 3 THR HB H 8.141 7.943 7.825 1.00 . A A . 3 THR HB 1 1 22 7069 1 1 3 THR HG1 H 6.915 9.263 6.442 1.00 . A A . 3 THR HG1 1 1 22 7070 1 1 3 THR HG21 H 7.334 9.133 9.855 1.00 . A A . 3 THR HG21 1 1 22 7071 1 1 3 THR HG22 H 7.186 10.639 8.883 1.00 . A A . 3 THR HG22 1 1 22 7072 1 1 3 THR HG23 H 6.140 9.228 8.509 1.00 . A A . 3 THR HG23 1 1 22 7073 1 1 3 THR N N 10.436 9.294 7.119 1.00 . A A . 3 THR N 1 1 22 7074 1 1 3 THR O O 10.801 9.589 10.417 1.00 . A A . 3 THR O 1 1 22 7075 1 1 3 THR OG1 O 7.803 9.582 6.613 1.00 . A A . 3 THR OG1 1 1 22 7076 1 1 4 ARG C C 12.040 6.753 10.948 1.00 . A A . 4 ARG C 1 1 22 7077 1 1 4 ARG CA C 10.485 6.882 11.153 1.00 . A A . 4 ARG CA 1 1 22 7078 1 1 4 ARG CB C 9.766 5.521 11.376 1.00 . A A . 4 ARG CB 1 1 22 7079 1 1 4 ARG CD C 7.204 5.957 10.905 1.00 . A A . 4 ARG CD 1 1 22 7080 1 1 4 ARG CG C 8.322 5.580 11.929 1.00 . A A . 4 ARG CG 1 1 22 7081 1 1 4 ARG CZ C 5.209 6.870 12.136 1.00 . A A . 4 ARG CZ 1 1 22 7082 1 1 4 ARG H H 9.346 7.065 9.273 1.00 . A A . 4 ARG H 1 1 22 7083 1 1 4 ARG HA H 10.258 7.548 11.993 1.00 . A A . 4 ARG HA 1 1 22 7084 1 1 4 ARG HB2 H 9.779 4.916 10.450 1.00 . A A . 4 ARG HB2 1 1 22 7085 1 1 4 ARG HB3 H 10.365 4.927 12.090 1.00 . A A . 4 ARG HB3 1 1 22 7086 1 1 4 ARG HD2 H 7.358 6.958 10.459 1.00 . A A . 4 ARG HD2 1 1 22 7087 1 1 4 ARG HD3 H 7.227 5.294 10.019 1.00 . A A . 4 ARG HD3 1 1 22 7088 1 1 4 ARG HE H 5.371 4.977 11.437 1.00 . A A . 4 ARG HE 1 1 22 7089 1 1 4 ARG HG2 H 8.105 4.584 12.367 1.00 . A A . 4 ARG HG2 1 1 22 7090 1 1 4 ARG HG3 H 8.308 6.259 12.807 1.00 . A A . 4 ARG HG3 1 1 22 7091 1 1 4 ARG HH11 H 5.133 8.765 12.808 1.00 . A A . 4 ARG HH11 1 1 22 7092 1 1 4 ARG HH12 H 6.661 8.248 11.934 1.00 . A A . 4 ARG HH12 1 1 22 7093 1 1 4 ARG HH21 H 3.627 5.688 12.467 1.00 . A A . 4 ARG HH21 1 1 22 7094 1 1 4 ARG HH22 H 3.533 7.411 13.089 1.00 . A A . 4 ARG HH22 1 1 22 7095 1 1 4 ARG N N 9.946 7.554 9.937 1.00 . A A . 4 ARG N 1 1 22 7096 1 1 4 ARG NE N 5.850 5.864 11.505 1.00 . A A . 4 ARG NE 1 1 22 7097 1 1 4 ARG NH1 N 5.720 8.087 12.311 1.00 . A A . 4 ARG NH1 1 1 22 7098 1 1 4 ARG NH2 N 4.000 6.632 12.613 1.00 . A A . 4 ARG NH2 1 1 22 7099 1 1 4 ARG O O 12.868 7.367 11.621 1.00 . A A . 4 ARG O 1 1 22 7100 1 1 5 TYR C C 13.046 5.058 7.955 1.00 . A A . 5 TYR C 1 1 22 7101 1 1 5 TYR CA C 13.611 5.585 9.339 1.00 . A A . 5 TYR CA 1 1 22 7102 1 1 5 TYR CB C 14.410 4.601 10.216 1.00 . A A . 5 TYR CB 1 1 22 7103 1 1 5 TYR CD1 C 12.933 3.202 11.777 1.00 . A A . 5 TYR CD1 1 1 22 7104 1 1 5 TYR CD2 C 14.351 2.046 10.202 1.00 . A A . 5 TYR CD2 1 1 22 7105 1 1 5 TYR CE1 C 12.515 1.979 12.297 1.00 . A A . 5 TYR CE1 1 1 22 7106 1 1 5 TYR CE2 C 13.947 0.823 10.734 1.00 . A A . 5 TYR CE2 1 1 22 7107 1 1 5 TYR CG C 13.846 3.247 10.716 1.00 . A A . 5 TYR CG 1 1 22 7108 1 1 5 TYR CZ C 13.024 0.790 11.777 1.00 . A A . 5 TYR CZ 1 1 22 7109 1 1 5 TYR H H 11.580 5.383 9.572 1.00 . A A . 5 TYR H 1 1 22 7110 1 1 5 TYR HA H 14.224 6.492 9.199 1.00 . A A . 5 TYR HA 1 1 22 7111 1 1 5 TYR HB2 H 15.271 4.408 9.583 1.00 . A A . 5 TYR HB2 1 1 22 7112 1 1 5 TYR HB3 H 14.795 5.156 11.089 1.00 . A A . 5 TYR HB3 1 1 22 7113 1 1 5 TYR HD1 H 12.555 4.113 12.218 1.00 . A A . 5 TYR HD1 1 1 22 7114 1 1 5 TYR HD2 H 15.076 2.052 9.400 1.00 . A A . 5 TYR HD2 1 1 22 7115 1 1 5 TYR HE1 H 11.804 1.957 13.110 1.00 . A A . 5 TYR HE1 1 1 22 7116 1 1 5 TYR HE2 H 14.342 -0.096 10.329 1.00 . A A . 5 TYR HE2 1 1 22 7117 1 1 5 TYR HH H 11.971 -0.254 12.987 1.00 . A A . 5 TYR HH 1 1 22 7118 1 1 5 TYR N N 12.334 5.946 9.931 1.00 . A A . 5 TYR N 1 1 22 7119 1 1 5 TYR O O 13.230 3.878 7.637 1.00 . A A . 5 TYR O 1 1 22 7120 1 1 5 TYR OH O 12.605 -0.414 12.283 1.00 . A A . 5 TYR OH 1 1 22 7121 1 1 6 ASN C C 10.541 4.532 5.958 1.00 . A A . 6 ASN C 1 1 22 7122 1 1 6 ASN CA C 11.763 5.516 5.802 1.00 . A A . 6 ASN CA 1 1 22 7123 1 1 6 ASN CB C 12.732 4.953 4.714 1.00 . A A . 6 ASN CB 1 1 22 7124 1 1 6 ASN CG C 14.039 5.712 4.436 1.00 . A A . 6 ASN CG 1 1 22 7125 1 1 6 ASN H H 12.222 6.884 7.450 1.00 . A A . 6 ASN H 1 1 22 7126 1 1 6 ASN HA H 11.314 6.441 5.392 1.00 . A A . 6 ASN HA 1 1 22 7127 1 1 6 ASN HB2 H 12.983 3.905 4.956 1.00 . A A . 6 ASN HB2 1 1 22 7128 1 1 6 ASN HB3 H 12.161 4.864 3.763 1.00 . A A . 6 ASN HB3 1 1 22 7129 1 1 6 ASN HD21 H 14.878 7.162 3.337 1.00 . A A . 6 ASN HD21 1 1 22 7130 1 1 6 ASN HD22 H 13.068 6.880 3.170 1.00 . A A . 6 ASN HD22 1 1 22 7131 1 1 6 ASN N N 12.367 5.916 7.114 1.00 . A A . 6 ASN N 1 1 22 7132 1 1 6 ASN ND2 N 14.010 6.636 3.496 1.00 . A A . 6 ASN ND2 1 1 22 7133 1 1 6 ASN O O 10.086 4.003 4.936 1.00 . A A . 6 ASN O 1 1 22 7134 1 1 6 ASN OD1 O 15.076 5.458 5.049 1.00 . A A . 6 ASN OD1 1 1 22 7135 1 1 7 LYS C C 7.468 3.856 6.720 1.00 . A A . 7 LYS C 1 1 22 7136 1 1 7 LYS CA C 8.800 3.366 7.317 1.00 . A A . 7 LYS CA 1 1 22 7137 1 1 7 LYS CB C 8.583 2.676 8.677 1.00 . A A . 7 LYS CB 1 1 22 7138 1 1 7 LYS CD C 10.671 1.102 8.779 1.00 . A A . 7 LYS CD 1 1 22 7139 1 1 7 LYS CE C 10.031 -0.300 8.782 1.00 . A A . 7 LYS CE 1 1 22 7140 1 1 7 LYS CG C 9.830 2.197 9.458 1.00 . A A . 7 LYS CG 1 1 22 7141 1 1 7 LYS H H 10.280 4.898 7.934 1.00 . A A . 7 LYS H 1 1 22 7142 1 1 7 LYS HA H 9.100 2.529 6.681 1.00 . A A . 7 LYS HA 1 1 22 7143 1 1 7 LYS HB2 H 7.968 3.328 9.306 1.00 . A A . 7 LYS HB2 1 1 22 7144 1 1 7 LYS HB3 H 7.941 1.793 8.466 1.00 . A A . 7 LYS HB3 1 1 22 7145 1 1 7 LYS HD2 H 10.926 1.416 7.752 1.00 . A A . 7 LYS HD2 1 1 22 7146 1 1 7 LYS HD3 H 11.640 1.060 9.299 1.00 . A A . 7 LYS HD3 1 1 22 7147 1 1 7 LYS HE2 H 9.751 -0.592 9.812 1.00 . A A . 7 LYS HE2 1 1 22 7148 1 1 7 LYS HE3 H 9.095 -0.301 8.193 1.00 . A A . 7 LYS HE3 1 1 22 7149 1 1 7 LYS HG2 H 10.492 3.060 9.651 1.00 . A A . 7 LYS HG2 1 1 22 7150 1 1 7 LYS HG3 H 9.522 1.854 10.465 1.00 . A A . 7 LYS HG3 1 1 22 7151 1 1 7 LYS HZ1 H 10.509 -2.226 8.246 1.00 . A A . 7 LYS HZ1 1 1 22 7152 1 1 7 LYS HZ2 H 11.819 -1.331 8.771 1.00 . A A . 7 LYS HZ2 1 1 22 7153 1 1 7 LYS HZ3 H 11.218 -1.065 7.275 1.00 . A A . 7 LYS HZ3 1 1 22 7154 1 1 7 LYS N N 9.946 4.307 7.167 1.00 . A A . 7 LYS N 1 1 22 7155 1 1 7 LYS NZ N 10.946 -1.315 8.232 1.00 . A A . 7 LYS NZ 1 1 22 7156 1 1 7 LYS O O 6.735 2.986 6.245 1.00 . A A . 7 LYS O 1 1 22 7157 1 1 8 ASP C C 5.801 5.216 4.556 1.00 . A A . 8 ASP C 1 1 22 7158 1 1 8 ASP CA C 5.825 5.628 6.088 1.00 . A A . 8 ASP CA 1 1 22 7159 1 1 8 ASP CB C 5.579 7.120 6.342 1.00 . A A . 8 ASP CB 1 1 22 7160 1 1 8 ASP CG C 4.194 7.649 5.942 1.00 . A A . 8 ASP CG 1 1 22 7161 1 1 8 ASP H H 7.732 5.770 7.288 1.00 . A A . 8 ASP H 1 1 22 7162 1 1 8 ASP HA H 4.992 5.125 6.585 1.00 . A A . 8 ASP HA 1 1 22 7163 1 1 8 ASP HB2 H 5.717 7.334 7.419 1.00 . A A . 8 ASP HB2 1 1 22 7164 1 1 8 ASP HB3 H 6.357 7.666 5.804 1.00 . A A . 8 ASP HB3 1 1 22 7165 1 1 8 ASP HD2 H 5.051 8.139 4.265 1.00 . A A . 8 ASP HD2 1 1 22 7166 1 1 8 ASP N N 7.099 5.160 6.749 1.00 . A A . 8 ASP N 1 1 22 7167 1 1 8 ASP O O 4.747 4.864 4.020 1.00 . A A . 8 ASP O 1 1 22 7168 1 1 8 ASP OD1 O 3.209 7.589 6.678 1.00 . A A . 8 ASP OD1 1 1 22 7169 1 1 8 ASP OD2 O 4.186 8.186 4.680 1.00 . A A . 8 ASP OD2 1 1 22 7170 1 1 9 PHE C C 6.965 3.288 2.409 1.00 . A A . 9 PHE C 1 1 22 7171 1 1 9 PHE CA C 7.231 4.836 2.498 1.00 . A A . 9 PHE CA 1 1 22 7172 1 1 9 PHE CB C 8.639 5.333 2.070 1.00 . A A . 9 PHE CB 1 1 22 7173 1 1 9 PHE CD1 C 8.134 6.421 -0.193 1.00 . A A . 9 PHE CD1 1 1 22 7174 1 1 9 PHE CD2 C 10.087 5.010 0.007 1.00 . A A . 9 PHE CD2 1 1 22 7175 1 1 9 PHE CE1 C 8.477 6.704 -1.520 1.00 . A A . 9 PHE CE1 1 1 22 7176 1 1 9 PHE CE2 C 10.430 5.297 -1.319 1.00 . A A . 9 PHE CE2 1 1 22 7177 1 1 9 PHE CG C 8.931 5.560 0.574 1.00 . A A . 9 PHE CG 1 1 22 7178 1 1 9 PHE CZ C 9.621 6.141 -2.075 1.00 . A A . 9 PHE CZ 1 1 22 7179 1 1 9 PHE H H 7.740 5.654 4.468 1.00 . A A . 9 PHE H 1 1 22 7180 1 1 9 PHE HA H 6.521 5.352 1.871 1.00 . A A . 9 PHE HA 1 1 22 7181 1 1 9 PHE HB2 H 8.880 6.289 2.575 1.00 . A A . 9 PHE HB2 1 1 22 7182 1 1 9 PHE HB3 H 9.353 4.614 2.484 1.00 . A A . 9 PHE HB3 1 1 22 7183 1 1 9 PHE HD1 H 7.264 6.873 0.275 1.00 . A A . 9 PHE HD1 1 1 22 7184 1 1 9 PHE HD2 H 10.709 4.365 0.622 1.00 . A A . 9 PHE HD2 1 1 22 7185 1 1 9 PHE HE1 H 7.887 7.363 -2.149 1.00 . A A . 9 PHE HE1 1 1 22 7186 1 1 9 PHE HE2 H 11.314 4.889 -1.798 1.00 . A A . 9 PHE HE2 1 1 22 7187 1 1 9 PHE HZ H 9.888 6.363 -3.098 1.00 . A A . 9 PHE HZ 1 1 22 7188 1 1 9 PHE N N 6.992 5.245 3.903 1.00 . A A . 9 PHE N 1 1 22 7189 1 1 9 PHE O O 6.065 2.895 1.664 1.00 . A A . 9 PHE O 1 1 22 7190 1 1 10 ILE C C 6.041 0.447 3.424 1.00 . A A . 10 ILE C 1 1 22 7191 1 1 10 ILE CA C 7.524 0.957 3.318 1.00 . A A . 10 ILE CA 1 1 22 7192 1 1 10 ILE CB C 8.592 0.465 4.363 1.00 . A A . 10 ILE CB 1 1 22 7193 1 1 10 ILE CD1 C 11.143 0.775 4.896 1.00 . A A . 10 ILE CD1 1 1 22 7194 1 1 10 ILE CG1 C 10.043 0.671 3.839 1.00 . A A . 10 ILE CG1 1 1 22 7195 1 1 10 ILE CG2 C 8.429 -0.982 4.891 1.00 . A A . 10 ILE CG2 1 1 22 7196 1 1 10 ILE H H 8.491 2.877 3.686 1.00 . A A . 10 ILE H 1 1 22 7197 1 1 10 ILE HA H 7.865 0.548 2.422 1.00 . A A . 10 ILE HA 1 1 22 7198 1 1 10 ILE HB H 8.493 1.107 5.227 1.00 . A A . 10 ILE HB 1 1 22 7199 1 1 10 ILE HD11 H 11.178 -0.116 5.546 1.00 . A A . 10 ILE HD11 1 1 22 7200 1 1 10 ILE HD12 H 12.132 0.890 4.419 1.00 . A A . 10 ILE HD12 1 1 22 7201 1 1 10 ILE HD13 H 10.989 1.658 5.536 1.00 . A A . 10 ILE HD13 1 1 22 7202 1 1 10 ILE HG12 H 10.253 -0.155 3.157 1.00 . A A . 10 ILE HG12 1 1 22 7203 1 1 10 ILE HG13 H 10.125 1.591 3.226 1.00 . A A . 10 ILE HG13 1 1 22 7204 1 1 10 ILE HG21 H 8.698 -1.734 4.129 1.00 . A A . 10 ILE HG21 1 1 22 7205 1 1 10 ILE HG22 H 7.398 -1.196 5.225 1.00 . A A . 10 ILE HG22 1 1 22 7206 1 1 10 ILE HG23 H 9.079 -1.173 5.764 1.00 . A A . 10 ILE HG23 1 1 22 7207 1 1 10 ILE N N 7.679 2.453 3.217 1.00 . A A . 10 ILE N 1 1 22 7208 1 1 10 ILE O O 5.462 -0.292 2.587 1.00 . A A . 10 ILE O 1 1 22 7209 1 1 11 ASN C C 3.005 0.891 3.786 1.00 . A A . 11 ASN C 1 1 22 7210 1 1 11 ASN CA C 4.053 0.858 4.918 1.00 . A A . 11 ASN CA 1 1 22 7211 1 1 11 ASN CB C 3.751 1.768 6.126 1.00 . A A . 11 ASN CB 1 1 22 7212 1 1 11 ASN CG C 2.422 1.522 6.868 1.00 . A A . 11 ASN CG 1 1 22 7213 1 1 11 ASN H H 6.200 1.588 4.906 1.00 . A A . 11 ASN H 1 1 22 7214 1 1 11 ASN HA H 3.994 -0.165 5.262 1.00 . A A . 11 ASN HA 1 1 22 7215 1 1 11 ASN HB2 H 4.578 1.725 6.861 1.00 . A A . 11 ASN HB2 1 1 22 7216 1 1 11 ASN HB3 H 3.761 2.792 5.749 1.00 . A A . 11 ASN HB3 1 1 22 7217 1 1 11 ASN HD21 H 1.516 0.433 8.291 1.00 . A A . 11 ASN HD21 1 1 22 7218 1 1 11 ASN HD22 H 3.292 0.096 7.963 1.00 . A A . 11 ASN HD22 1 1 22 7219 1 1 11 ASN N N 5.466 1.018 4.483 1.00 . A A . 11 ASN N 1 1 22 7220 1 1 11 ASN ND2 N 2.406 0.587 7.805 1.00 . A A . 11 ASN ND2 1 1 22 7221 1 1 11 ASN O O 1.941 0.285 3.957 1.00 . A A . 11 ASN O 1 1 22 7222 1 1 11 ASN OD1 O 1.409 2.167 6.602 1.00 . A A . 11 ASN OD1 1 1 22 7223 1 1 12 ASN C C 2.745 0.297 0.744 1.00 . A A . 12 ASN C 1 1 22 7224 1 1 12 ASN CA C 2.386 1.606 1.525 1.00 . A A . 12 ASN CA 1 1 22 7225 1 1 12 ASN CB C 2.319 3.021 0.893 1.00 . A A . 12 ASN CB 1 1 22 7226 1 1 12 ASN CG C 1.076 3.298 0.041 1.00 . A A . 12 ASN CG 1 1 22 7227 1 1 12 ASN H H 4.249 1.827 2.452 1.00 . A A . 12 ASN H 1 1 22 7228 1 1 12 ASN HA H 1.406 1.381 1.839 1.00 . A A . 12 ASN HA 1 1 22 7229 1 1 12 ASN HB2 H 2.427 3.801 1.678 1.00 . A A . 12 ASN HB2 1 1 22 7230 1 1 12 ASN HB3 H 3.174 3.189 0.268 1.00 . A A . 12 ASN HB3 1 1 22 7231 1 1 12 ASN HD21 H -0.652 4.320 0.229 1.00 . A A . 12 ASN HD21 1 1 22 7232 1 1 12 ASN HD22 H 0.566 4.113 1.623 1.00 . A A . 12 ASN HD22 1 1 22 7233 1 1 12 ASN N N 3.279 1.601 2.662 1.00 . A A . 12 ASN N 1 1 22 7234 1 1 12 ASN ND2 N 0.130 3.881 0.725 1.00 . A A . 12 ASN ND2 1 1 22 7235 1 1 12 ASN O O 3.110 -0.705 1.357 1.00 . A A . 12 ASN O 1 1 22 7236 1 1 12 ASN OD1 O 0.978 3.038 -1.156 1.00 . A A . 12 ASN OD1 1 1 22 7237 1 1 13 LYS C C 3.701 -2.015 -1.485 1.00 . A A . 13 LYS C 1 1 22 7238 1 1 13 LYS CA C 3.144 -0.550 -1.639 1.00 . A A . 13 LYS CA 1 1 22 7239 1 1 13 LYS CB C 3.821 0.182 -2.846 1.00 . A A . 13 LYS CB 1 1 22 7240 1 1 13 LYS CD C 1.755 1.475 -3.818 1.00 . A A . 13 LYS CD 1 1 22 7241 1 1 13 LYS CE C 1.502 0.680 -5.114 1.00 . A A . 13 LYS CE 1 1 22 7242 1 1 13 LYS CG C 3.229 1.516 -3.369 1.00 . A A . 13 LYS CG 1 1 22 7243 1 1 13 LYS H H 3.471 1.228 -0.343 1.00 . A A . 13 LYS H 1 1 22 7244 1 1 13 LYS HA H 2.127 -0.782 -1.945 1.00 . A A . 13 LYS HA 1 1 22 7245 1 1 13 LYS HB2 H 4.882 0.360 -2.625 1.00 . A A . 13 LYS HB2 1 1 22 7246 1 1 13 LYS HB3 H 3.845 -0.503 -3.713 1.00 . A A . 13 LYS HB3 1 1 22 7247 1 1 13 LYS HD2 H 1.135 1.077 -2.992 1.00 . A A . 13 LYS HD2 1 1 22 7248 1 1 13 LYS HD3 H 1.420 2.520 -3.951 1.00 . A A . 13 LYS HD3 1 1 22 7249 1 1 13 LYS HE2 H 2.118 1.080 -5.940 1.00 . A A . 13 LYS HE2 1 1 22 7250 1 1 13 LYS HE3 H 1.802 -0.377 -4.987 1.00 . A A . 13 LYS HE3 1 1 22 7251 1 1 13 LYS HG2 H 3.336 2.286 -2.581 1.00 . A A . 13 LYS HG2 1 1 22 7252 1 1 13 LYS HG3 H 3.854 1.888 -4.201 1.00 . A A . 13 LYS HG3 1 1 22 7253 1 1 13 LYS HZ1 H -0.497 0.331 -4.778 1.00 . A A . 13 LYS HZ1 1 1 22 7254 1 1 13 LYS HZ2 H -0.057 0.220 -6.386 1.00 . A A . 13 LYS HZ2 1 1 22 7255 1 1 13 LYS HZ3 H -0.197 1.695 -5.697 1.00 . A A . 13 LYS HZ3 1 1 22 7256 1 1 13 LYS N N 2.845 0.453 -0.550 1.00 . A A . 13 LYS N 1 1 22 7257 1 1 13 LYS NZ N 0.081 0.726 -5.506 1.00 . A A . 13 LYS NZ 1 1 22 7258 1 1 13 LYS O O 4.174 -2.638 -2.441 1.00 . A A . 13 LYS O 1 1 22 7259 1 1 14 HIS C C 5.392 -3.781 0.448 1.00 . A A . 14 HIS C 1 1 22 7260 1 1 14 HIS CA C 3.902 -3.967 0.156 1.00 . A A . 14 HIS CA 1 1 22 7261 1 1 14 HIS CB C 3.550 -5.150 -0.795 1.00 . A A . 14 HIS CB 1 1 22 7262 1 1 14 HIS CD2 C 1.153 -5.980 -0.185 1.00 . A A . 14 HIS CD2 1 1 22 7263 1 1 14 HIS CE1 C 0.124 -5.294 -1.887 1.00 . A A . 14 HIS CE1 1 1 22 7264 1 1 14 HIS CG C 2.052 -5.330 -1.051 1.00 . A A . 14 HIS CG 1 1 22 7265 1 1 14 HIS H H 3.663 -1.733 0.356 1.00 . A A . 14 HIS H 1 1 22 7266 1 1 14 HIS HA H 3.374 -4.159 1.108 1.00 . A A . 14 HIS HA 1 1 22 7267 1 1 14 HIS HB2 H 4.083 -5.049 -1.759 1.00 . A A . 14 HIS HB2 1 1 22 7268 1 1 14 HIS HB3 H 3.952 -6.086 -0.365 1.00 . A A . 14 HIS HB3 1 1 22 7269 1 1 14 HIS HD2 H 1.412 -6.426 0.764 1.00 . A A . 14 HIS HD2 1 1 22 7270 1 1 14 HIS HE1 H -0.686 -5.099 -2.574 1.00 . A A . 14 HIS HE1 1 1 22 7271 1 1 14 HIS HE2 H -0.997 -6.343 -0.345 1.00 . A A . 14 HIS HE2 1 1 22 7272 1 1 14 HIS N N 3.522 -2.573 -0.288 1.00 . A A . 14 HIS N 1 1 22 7273 1 1 14 HIS ND1 N 1.396 -4.870 -2.189 1.00 . A A . 14 HIS ND1 1 1 22 7274 1 1 14 HIS NE2 N -0.121 -5.963 -0.718 1.00 . A A . 14 HIS NE2 1 1 22 7275 1 1 14 HIS O O 6.241 -4.199 -0.350 1.00 . A A . 14 HIS O 1 1 22 7276 1 1 15 LEU C C 7.706 -1.904 0.856 1.00 . A A . 15 LEU C 1 1 22 7277 1 1 15 LEU CA C 7.102 -2.828 2.001 1.00 . A A . 15 LEU CA 1 1 22 7278 1 1 15 LEU CB C 7.977 -4.070 2.373 1.00 . A A . 15 LEU CB 1 1 22 7279 1 1 15 LEU CD1 C 6.385 -5.932 3.242 1.00 . A A . 15 LEU CD1 1 1 22 7280 1 1 15 LEU CD2 C 8.789 -5.888 3.941 1.00 . A A . 15 LEU CD2 1 1 22 7281 1 1 15 LEU CG C 7.573 -4.982 3.581 1.00 . A A . 15 LEU CG 1 1 22 7282 1 1 15 LEU H H 4.942 -2.989 2.282 1.00 . A A . 15 LEU H 1 1 22 7283 1 1 15 LEU HA H 7.030 -2.167 2.870 1.00 . A A . 15 LEU HA 1 1 22 7284 1 1 15 LEU HB2 H 8.122 -4.694 1.468 1.00 . A A . 15 LEU HB2 1 1 22 7285 1 1 15 LEU HB3 H 8.991 -3.674 2.574 1.00 . A A . 15 LEU HB3 1 1 22 7286 1 1 15 LEU HD11 H 6.566 -6.534 2.327 1.00 . A A . 15 LEU HD11 1 1 22 7287 1 1 15 LEU HD12 H 5.432 -5.400 3.068 1.00 . A A . 15 LEU HD12 1 1 22 7288 1 1 15 LEU HD13 H 6.173 -6.665 4.044 1.00 . A A . 15 LEU HD13 1 1 22 7289 1 1 15 LEU HD21 H 9.687 -5.306 4.214 1.00 . A A . 15 LEU HD21 1 1 22 7290 1 1 15 LEU HD22 H 8.590 -6.568 4.791 1.00 . A A . 15 LEU HD22 1 1 22 7291 1 1 15 LEU HD23 H 9.101 -6.541 3.098 1.00 . A A . 15 LEU HD23 1 1 22 7292 1 1 15 LEU HG H 7.314 -4.330 4.472 1.00 . A A . 15 LEU HG 1 1 22 7293 1 1 15 LEU N N 5.703 -3.137 1.606 1.00 . A A . 15 LEU N 1 1 22 7294 1 1 15 LEU O O 8.910 -1.984 0.596 1.00 . A A . 15 LEU O 1 1 22 7295 1 1 16 ASN C C 8.016 -0.974 -2.056 1.00 . A A . 16 ASN C 1 1 22 7296 1 1 16 ASN CA C 7.354 -0.122 -0.919 1.00 . A A . 16 ASN CA 1 1 22 7297 1 1 16 ASN CB C 8.118 1.104 -0.428 1.00 . A A . 16 ASN CB 1 1 22 7298 1 1 16 ASN CG C 8.395 2.175 -1.490 1.00 . A A . 16 ASN CG 1 1 22 7299 1 1 16 ASN H H 5.917 -0.852 0.588 1.00 . A A . 16 ASN H 1 1 22 7300 1 1 16 ASN HA H 6.452 0.330 -1.329 1.00 . A A . 16 ASN HA 1 1 22 7301 1 1 16 ASN HB2 H 7.537 1.515 0.408 1.00 . A A . 16 ASN HB2 1 1 22 7302 1 1 16 ASN HB3 H 9.036 0.819 0.042 1.00 . A A . 16 ASN HB3 1 1 22 7303 1 1 16 ASN HD21 H 7.692 3.975 -2.031 1.00 . A A . 16 ASN HD21 1 1 22 7304 1 1 16 ASN HD22 H 6.982 3.008 -0.617 1.00 . A A . 16 ASN HD22 1 1 22 7305 1 1 16 ASN N N 6.885 -1.003 0.189 1.00 . A A . 16 ASN N 1 1 22 7306 1 1 16 ASN ND2 N 7.496 3.121 -1.497 1.00 . A A . 16 ASN ND2 1 1 22 7307 1 1 16 ASN O O 9.230 -0.913 -2.274 1.00 . A A . 16 ASN O 1 1 22 7308 1 1 16 ASN OD1 O 9.364 2.157 -2.249 1.00 . A A . 16 ASN OD1 1 1 22 7309 1 1 17 GLU C C 8.799 -3.644 -3.486 1.00 . A A . 17 GLU C 1 1 22 7310 1 1 17 GLU CA C 7.579 -2.723 -3.813 1.00 . A A . 17 GLU CA 1 1 22 7311 1 1 17 GLU CB C 7.613 -1.972 -5.151 1.00 . A A . 17 GLU CB 1 1 22 7312 1 1 17 GLU CD C 6.298 -0.613 -6.896 1.00 . A A . 17 GLU CD 1 1 22 7313 1 1 17 GLU CG C 6.269 -1.328 -5.547 1.00 . A A . 17 GLU CG 1 1 22 7314 1 1 17 GLU H H 6.220 -1.503 -2.807 1.00 . A A . 17 GLU H 1 1 22 7315 1 1 17 GLU HA H 6.712 -3.371 -3.952 1.00 . A A . 17 GLU HA 1 1 22 7316 1 1 17 GLU HB2 H 8.421 -1.236 -5.121 1.00 . A A . 17 GLU HB2 1 1 22 7317 1 1 17 GLU HB3 H 7.871 -2.705 -5.916 1.00 . A A . 17 GLU HB3 1 1 22 7318 1 1 17 GLU HE2 H 6.731 1.137 -7.633 1.00 . A A . 17 GLU HE2 1 1 22 7319 1 1 17 GLU HG2 H 5.473 -2.094 -5.534 1.00 . A A . 17 GLU HG2 1 1 22 7320 1 1 17 GLU HG3 H 5.971 -0.635 -4.749 1.00 . A A . 17 GLU HG3 1 1 22 7321 1 1 17 GLU N N 7.188 -1.814 -2.717 1.00 . A A . 17 GLU N 1 1 22 7322 1 1 17 GLU O O 9.848 -3.563 -4.132 1.00 . A A . 17 GLU O 1 1 22 7323 1 1 17 GLU OE1 O 5.981 -1.152 -7.956 1.00 . A A . 17 GLU OE1 1 1 22 7324 1 1 17 GLU OE2 O 6.714 0.690 -6.784 1.00 . A A . 17 GLU OE2 1 1 22 7325 1 1 18 HIS C C 11.004 -4.783 -1.555 1.00 . A A . 18 HIS C 1 1 22 7326 1 1 18 HIS CA C 9.654 -5.464 -1.951 1.00 . A A . 18 HIS CA 1 1 22 7327 1 1 18 HIS CB C 9.742 -6.656 -2.934 1.00 . A A . 18 HIS CB 1 1 22 7328 1 1 18 HIS CD2 C 10.645 -9.039 -3.179 1.00 . A A . 18 HIS CD2 1 1 22 7329 1 1 18 HIS CE1 C 11.372 -9.371 -1.237 1.00 . A A . 18 HIS CE1 1 1 22 7330 1 1 18 HIS CG C 10.450 -7.893 -2.402 1.00 . A A . 18 HIS CG 1 1 22 7331 1 1 18 HIS H H 7.677 -4.560 -2.092 1.00 . A A . 18 HIS H 1 1 22 7332 1 1 18 HIS HA H 9.229 -5.898 -1.024 1.00 . A A . 18 HIS HA 1 1 22 7333 1 1 18 HIS HB2 H 8.722 -6.970 -3.225 1.00 . A A . 18 HIS HB2 1 1 22 7334 1 1 18 HIS HB3 H 10.211 -6.325 -3.877 1.00 . A A . 18 HIS HB3 1 1 22 7335 1 1 18 HIS HD2 H 10.315 -9.130 -4.203 1.00 . A A . 18 HIS HD2 1 1 22 7336 1 1 18 HIS HE1 H 11.817 -9.871 -0.389 1.00 . A A . 18 HIS HE1 1 1 22 7337 1 1 18 HIS HE2 H 11.523 -10.983 -2.692 1.00 . A A . 18 HIS HE2 1 1 22 7338 1 1 18 HIS N N 8.635 -4.498 -2.446 1.00 . A A . 18 HIS N 1 1 22 7339 1 1 18 HIS ND1 N 10.910 -8.081 -1.105 1.00 . A A . 18 HIS ND1 1 1 22 7340 1 1 18 HIS NE2 N 11.261 -10.026 -2.435 1.00 . A A . 18 HIS NE2 1 1 22 7341 1 1 18 HIS O O 11.973 -4.811 -2.320 1.00 . A A . 18 HIS O 1 1 22 7342 1 1 19 ALA C C 12.047 -3.293 1.706 1.00 . A A . 19 ALA C 1 1 22 7343 1 1 19 ALA CA C 12.219 -3.460 0.174 1.00 . A A . 19 ALA CA 1 1 22 7344 1 1 19 ALA CB C 12.453 -2.101 -0.528 1.00 . A A . 19 ALA CB 1 1 22 7345 1 1 19 ALA H H 10.209 -4.308 0.228 1.00 . A A . 19 ALA H 1 1 22 7346 1 1 19 ALA HA H 13.093 -4.101 -0.027 1.00 . A A . 19 ALA HA 1 1 22 7347 1 1 19 ALA HB1 H 11.594 -1.414 -0.410 1.00 . A A . 19 ALA HB1 1 1 22 7348 1 1 19 ALA HB2 H 12.625 -2.223 -1.613 1.00 . A A . 19 ALA HB2 1 1 22 7349 1 1 19 ALA HB3 H 13.344 -1.587 -0.123 1.00 . A A . 19 ALA HB3 1 1 22 7350 1 1 19 ALA N N 11.029 -4.157 -0.362 1.00 . A A . 19 ALA N 1 1 22 7351 1 1 19 ALA O O 11.384 -2.359 2.174 1.00 . A A . 19 ALA O 1 1 22 7352 1 1 20 HIS C C 13.702 -3.250 4.551 1.00 . A A . 20 HIS C 1 1 22 7353 1 1 20 HIS CA C 12.604 -4.184 3.968 1.00 . A A . 20 HIS CA 1 1 22 7354 1 1 20 HIS CB C 12.705 -5.635 4.503 1.00 . A A . 20 HIS CB 1 1 22 7355 1 1 20 HIS CD2 C 12.199 -7.027 6.597 1.00 . A A . 20 HIS CD2 1 1 22 7356 1 1 20 HIS CE1 C 11.196 -5.593 7.763 1.00 . A A . 20 HIS CE1 1 1 22 7357 1 1 20 HIS CG C 12.173 -5.803 5.918 1.00 . A A . 20 HIS CG 1 1 22 7358 1 1 20 HIS H H 13.067 -5.001 1.998 1.00 . A A . 20 HIS H 1 1 22 7359 1 1 20 HIS HXT H 12.354 -2.054 5.297 1.00 . A A . 20 HIS HXT 1 1 22 7360 1 1 20 HIS HA H 11.597 -3.834 4.245 1.00 . A A . 20 HIS HA 1 1 22 7361 1 1 20 HIS HB2 H 12.122 -6.334 3.871 1.00 . A A . 20 HIS HB2 1 1 22 7362 1 1 20 HIS HB3 H 13.744 -6.010 4.448 1.00 . A A . 20 HIS HB3 1 1 22 7363 1 1 20 HIS HD2 H 12.611 -7.933 6.181 1.00 . A A . 20 HIS HD2 1 1 22 7364 1 1 20 HIS HE1 H 10.647 -5.153 8.583 1.00 . A A . 20 HIS HE1 1 1 22 7365 1 1 20 HIS HE2 H 11.390 -7.618 8.543 1.00 . A A . 20 HIS HE2 1 1 22 7366 1 1 20 HIS N N 12.668 -4.199 2.487 1.00 . A A . 20 HIS N 1 1 22 7367 1 1 20 HIS ND1 N 11.506 -4.835 6.660 1.00 . A A . 20 HIS ND1 1 1 22 7368 1 1 20 HIS NE2 N 11.570 -6.911 7.820 1.00 . A A . 20 HIS NE2 1 1 22 7369 1 1 20 HIS O O 14.903 -3.485 4.405 1.00 . A A . 20 HIS O 1 1 22 7370 1 1 20 HIS OXT O 13.312 -2.103 5.267 1.00 . A A . 20 HIS OXT 1 1 23 7371 1 1 1 SER C C -4.601 -2.675 -3.420 1.00 . A A . 1 SER C 1 1 23 7372 1 1 1 SER CA C -4.451 -3.536 -4.717 1.00 . A A . 1 SER CA 1 1 23 7373 1 1 1 SER CB C -3.132 -4.313 -4.821 1.00 . A A . 1 SER CB 1 1 23 7374 1 1 1 SER H1 H -4.070 -3.430 -6.465 1.00 . A A . 1 SER H1 1 1 23 7375 1 1 1 SER H2 H -5.382 -2.875 -6.572 1.00 . A A . 1 SER H2 1 1 23 7376 1 1 1 SER H3 H -3.888 -2.046 -6.161 1.00 . A A . 1 SER H3 1 1 23 7377 1 1 1 SER HA H -5.210 -4.306 -4.715 1.00 . A A . 1 SER HA 1 1 23 7378 1 1 1 SER HB2 H -3.000 -4.751 -5.830 1.00 . A A . 1 SER HB2 1 1 23 7379 1 1 1 SER HB3 H -2.304 -3.615 -4.662 1.00 . A A . 1 SER HB3 1 1 23 7380 1 1 1 SER HG H -3.158 -4.920 -2.995 1.00 . A A . 1 SER HG 1 1 23 7381 1 1 1 SER N N -4.596 -2.736 -5.953 1.00 . A A . 1 SER N 1 1 23 7382 1 1 1 SER O O -3.757 -2.706 -2.519 1.00 . A A . 1 SER O 1 1 23 7383 1 1 1 SER OG O -3.073 -5.351 -3.849 1.00 . A A . 1 SER OG 1 1 23 7384 1 1 2 ASP C C -7.487 -1.185 -1.531 1.00 . A A . 2 ASP C 1 1 23 7385 1 1 2 ASP CA C -6.095 -1.048 -2.222 1.00 . A A . 2 ASP CA 1 1 23 7386 1 1 2 ASP CB C -5.941 0.422 -2.785 1.00 . A A . 2 ASP CB 1 1 23 7387 1 1 2 ASP CG C -6.863 0.839 -3.957 1.00 . A A . 2 ASP CG 1 1 23 7388 1 1 2 ASP H H -6.056 -1.668 -4.268 1.00 . A A . 2 ASP H 1 1 23 7389 1 1 2 ASP HA H -5.428 -1.336 -1.411 1.00 . A A . 2 ASP HA 1 1 23 7390 1 1 2 ASP HB2 H -6.171 1.149 -1.991 1.00 . A A . 2 ASP HB2 1 1 23 7391 1 1 2 ASP HB3 H -4.895 0.654 -3.088 1.00 . A A . 2 ASP HB3 1 1 23 7392 1 1 2 ASP HD2 H -5.432 0.182 -5.101 1.00 . A A . 2 ASP HD2 1 1 23 7393 1 1 2 ASP N N -5.727 -1.944 -3.346 1.00 . A A . 2 ASP N 1 1 23 7394 1 1 2 ASP O O -7.707 -0.649 -0.432 1.00 . A A . 2 ASP O 1 1 23 7395 1 1 2 ASP OD1 O -7.971 1.349 -3.798 1.00 . A A . 2 ASP OD1 1 1 23 7396 1 1 2 ASP OD2 O -6.301 0.581 -5.181 1.00 . A A . 2 ASP OD2 1 1 23 7397 1 1 3 THR C C -10.671 -0.985 -1.338 1.00 . A A . 3 THR C 1 1 23 7398 1 1 3 THR CA C -9.786 -2.210 -1.781 1.00 . A A . 3 THR CA 1 1 23 7399 1 1 3 THR CB C -9.855 -3.464 -0.863 1.00 . A A . 3 THR CB 1 1 23 7400 1 1 3 THR CG2 C -9.362 -3.246 0.566 1.00 . A A . 3 THR CG2 1 1 23 7401 1 1 3 THR H H -7.822 -2.632 -2.686 1.00 . A A . 3 THR H 1 1 23 7402 1 1 3 THR HA H -10.252 -2.540 -2.708 1.00 . A A . 3 THR HA 1 1 23 7403 1 1 3 THR HB H -9.241 -4.271 -1.310 1.00 . A A . 3 THR HB 1 1 23 7404 1 1 3 THR HG1 H -11.158 -4.750 -0.266 1.00 . A A . 3 THR HG1 1 1 23 7405 1 1 3 THR HG21 H -9.912 -2.431 1.065 1.00 . A A . 3 THR HG21 1 1 23 7406 1 1 3 THR HG22 H -9.469 -4.165 1.164 1.00 . A A . 3 THR HG22 1 1 23 7407 1 1 3 THR HG23 H -8.294 -2.973 0.561 1.00 . A A . 3 THR HG23 1 1 23 7408 1 1 3 THR N N -8.381 -1.928 -2.200 1.00 . A A . 3 THR N 1 1 23 7409 1 1 3 THR O O -11.760 -1.180 -0.791 1.00 . A A . 3 THR O 1 1 23 7410 1 1 3 THR OG1 O -11.191 -3.958 -0.807 1.00 . A A . 3 THR OG1 1 1 23 7411 1 1 4 ARG C C -11.327 1.621 0.229 1.00 . A A . 4 ARG C 1 1 23 7412 1 1 4 ARG CA C -10.914 1.542 -1.284 1.00 . A A . 4 ARG CA 1 1 23 7413 1 1 4 ARG CB C -12.053 1.860 -2.303 1.00 . A A . 4 ARG CB 1 1 23 7414 1 1 4 ARG CD C -11.285 0.997 -4.673 1.00 . A A . 4 ARG CD 1 1 23 7415 1 1 4 ARG CG C -11.572 2.213 -3.737 1.00 . A A . 4 ARG CG 1 1 23 7416 1 1 4 ARG CZ C -9.865 0.723 -6.731 1.00 . A A . 4 ARG CZ 1 1 23 7417 1 1 4 ARG H H -9.317 0.296 -2.090 1.00 . A A . 4 ARG H 1 1 23 7418 1 1 4 ARG HA H -10.122 2.319 -1.409 1.00 . A A . 4 ARG HA 1 1 23 7419 1 1 4 ARG HB2 H -12.809 1.048 -2.336 1.00 . A A . 4 ARG HB2 1 1 23 7420 1 1 4 ARG HB3 H -12.621 2.732 -1.929 1.00 . A A . 4 ARG HB3 1 1 23 7421 1 1 4 ARG HD2 H -10.617 0.255 -4.191 1.00 . A A . 4 ARG HD2 1 1 23 7422 1 1 4 ARG HD3 H -12.206 0.417 -4.889 1.00 . A A . 4 ARG HD3 1 1 23 7423 1 1 4 ARG HE H -10.911 2.392 -6.262 1.00 . A A . 4 ARG HE 1 1 23 7424 1 1 4 ARG HG2 H -12.334 2.871 -4.200 1.00 . A A . 4 ARG HG2 1 1 23 7425 1 1 4 ARG HG3 H -10.686 2.879 -3.654 1.00 . A A . 4 ARG HG3 1 1 23 7426 1 1 4 ARG HH11 H -9.865 -0.939 -5.594 1.00 . A A . 4 ARG HH11 1 1 23 7427 1 1 4 ARG HH12 H -8.862 -0.976 -7.129 1.00 . A A . 4 ARG HH12 1 1 23 7428 1 1 4 ARG HH21 H -8.774 0.700 -8.409 1.00 . A A . 4 ARG HH21 1 1 23 7429 1 1 4 ARG HH22 H -9.696 2.240 -8.025 1.00 . A A . 4 ARG HH22 1 1 23 7430 1 1 4 ARG N N -10.231 0.265 -1.630 1.00 . A A . 4 ARG N 1 1 23 7431 1 1 4 ARG NE N -10.686 1.457 -5.952 1.00 . A A . 4 ARG NE 1 1 23 7432 1 1 4 ARG NH1 N -9.493 -0.527 -6.455 1.00 . A A . 4 ARG NH1 1 1 23 7433 1 1 4 ARG NH2 N -9.397 1.277 -7.833 1.00 . A A . 4 ARG NH2 1 1 23 7434 1 1 4 ARG O O -12.412 2.101 0.569 1.00 . A A . 4 ARG O 1 1 23 7435 1 1 5 TYR C C -9.228 1.260 3.275 1.00 . A A . 5 TYR C 1 1 23 7436 1 1 5 TYR CA C -10.596 1.105 2.571 1.00 . A A . 5 TYR CA 1 1 23 7437 1 1 5 TYR CB C -11.448 -0.113 3.012 1.00 . A A . 5 TYR CB 1 1 23 7438 1 1 5 TYR CD1 C -12.288 0.657 5.305 1.00 . A A . 5 TYR CD1 1 1 23 7439 1 1 5 TYR CD2 C -11.268 -1.525 5.127 1.00 . A A . 5 TYR CD2 1 1 23 7440 1 1 5 TYR CE1 C -12.480 0.453 6.670 1.00 . A A . 5 TYR CE1 1 1 23 7441 1 1 5 TYR CE2 C -11.469 -1.730 6.489 1.00 . A A . 5 TYR CE2 1 1 23 7442 1 1 5 TYR CG C -11.673 -0.327 4.523 1.00 . A A . 5 TYR CG 1 1 23 7443 1 1 5 TYR CZ C -12.072 -0.740 7.261 1.00 . A A . 5 TYR CZ 1 1 23 7444 1 1 5 TYR H H -9.588 0.709 0.712 1.00 . A A . 5 TYR H 1 1 23 7445 1 1 5 TYR HA H -11.170 1.973 2.833 1.00 . A A . 5 TYR HA 1 1 23 7446 1 1 5 TYR HB2 H -12.440 -0.066 2.523 1.00 . A A . 5 TYR HB2 1 1 23 7447 1 1 5 TYR HB3 H -10.970 -0.992 2.570 1.00 . A A . 5 TYR HB3 1 1 23 7448 1 1 5 TYR HD1 H -12.613 1.587 4.860 1.00 . A A . 5 TYR HD1 1 1 23 7449 1 1 5 TYR HD2 H -10.790 -2.302 4.544 1.00 . A A . 5 TYR HD2 1 1 23 7450 1 1 5 TYR HE1 H -12.950 1.223 7.266 1.00 . A A . 5 TYR HE1 1 1 23 7451 1 1 5 TYR HE2 H -11.148 -2.656 6.944 1.00 . A A . 5 TYR HE2 1 1 23 7452 1 1 5 TYR HH H -12.679 -0.161 8.981 1.00 . A A . 5 TYR HH 1 1 23 7453 1 1 5 TYR N N -10.421 1.141 1.115 1.00 . A A . 5 TYR N 1 1 23 7454 1 1 5 TYR O O -9.068 2.248 3.997 1.00 . A A . 5 TYR O 1 1 23 7455 1 1 5 TYR OH O -12.257 -0.936 8.606 1.00 . A A . 5 TYR OH 1 1 23 7456 1 1 6 ASN C C -5.767 -0.307 3.052 1.00 . A A . 6 ASN C 1 1 23 7457 1 1 6 ASN CA C -6.935 0.431 3.758 1.00 . A A . 6 ASN CA 1 1 23 7458 1 1 6 ASN CB C -6.887 -0.010 5.261 1.00 . A A . 6 ASN CB 1 1 23 7459 1 1 6 ASN CG C -7.815 0.681 6.279 1.00 . A A . 6 ASN CG 1 1 23 7460 1 1 6 ASN H H -8.362 -0.149 2.173 1.00 . A A . 6 ASN H 1 1 23 7461 1 1 6 ASN HA H -6.645 1.496 3.711 1.00 . A A . 6 ASN HA 1 1 23 7462 1 1 6 ASN HB2 H -7.034 -1.103 5.323 1.00 . A A . 6 ASN HB2 1 1 23 7463 1 1 6 ASN HB3 H -5.848 0.130 5.636 1.00 . A A . 6 ASN HB3 1 1 23 7464 1 1 6 ASN HD21 H -8.075 2.296 7.443 1.00 . A A . 6 ASN HD21 1 1 23 7465 1 1 6 ASN HD22 H -6.555 2.235 6.415 1.00 . A A . 6 ASN HD22 1 1 23 7466 1 1 6 ASN N N -8.268 0.320 3.090 1.00 . A A . 6 ASN N 1 1 23 7467 1 1 6 ASN ND2 N -7.441 1.855 6.766 1.00 . A A . 6 ASN ND2 1 1 23 7468 1 1 6 ASN O O -4.637 -0.064 3.488 1.00 . A A . 6 ASN O 1 1 23 7469 1 1 6 ASN OD1 O -8.870 0.163 6.641 1.00 . A A . 6 ASN OD1 1 1 23 7470 1 1 7 LYS C C -3.758 -0.881 0.675 1.00 . A A . 7 LYS C 1 1 23 7471 1 1 7 LYS CA C -4.759 -1.840 1.381 1.00 . A A . 7 LYS CA 1 1 23 7472 1 1 7 LYS CB C -5.196 -3.139 0.666 1.00 . A A . 7 LYS CB 1 1 23 7473 1 1 7 LYS CD C -6.689 -4.361 2.507 1.00 . A A . 7 LYS CD 1 1 23 7474 1 1 7 LYS CE C -6.413 -4.792 3.958 1.00 . A A . 7 LYS CE 1 1 23 7475 1 1 7 LYS CG C -5.424 -4.342 1.617 1.00 . A A . 7 LYS CG 1 1 23 7476 1 1 7 LYS H H -6.881 -1.412 1.716 1.00 . A A . 7 LYS H 1 1 23 7477 1 1 7 LYS HA H -4.103 -2.148 2.243 1.00 . A A . 7 LYS HA 1 1 23 7478 1 1 7 LYS HB2 H -6.079 -2.984 0.031 1.00 . A A . 7 LYS HB2 1 1 23 7479 1 1 7 LYS HB3 H -4.394 -3.426 -0.036 1.00 . A A . 7 LYS HB3 1 1 23 7480 1 1 7 LYS HD2 H -7.179 -3.374 2.526 1.00 . A A . 7 LYS HD2 1 1 23 7481 1 1 7 LYS HD3 H -7.433 -5.039 2.049 1.00 . A A . 7 LYS HD3 1 1 23 7482 1 1 7 LYS HE2 H -5.945 -5.793 3.981 1.00 . A A . 7 LYS HE2 1 1 23 7483 1 1 7 LYS HE3 H -5.688 -4.100 4.427 1.00 . A A . 7 LYS HE3 1 1 23 7484 1 1 7 LYS HG2 H -5.435 -5.257 1.003 1.00 . A A . 7 LYS HG2 1 1 23 7485 1 1 7 LYS HG3 H -4.525 -4.430 2.252 1.00 . A A . 7 LYS HG3 1 1 23 7486 1 1 7 LYS HZ1 H -8.312 -5.462 4.371 1.00 . A A . 7 LYS HZ1 1 1 23 7487 1 1 7 LYS HZ2 H -7.430 -5.066 5.734 1.00 . A A . 7 LYS HZ2 1 1 23 7488 1 1 7 LYS HZ3 H -8.052 -3.870 4.808 1.00 . A A . 7 LYS HZ3 1 1 23 7489 1 1 7 LYS N N -5.928 -1.165 2.011 1.00 . A A . 7 LYS N 1 1 23 7490 1 1 7 LYS NZ N -7.647 -4.811 4.763 1.00 . A A . 7 LYS NZ 1 1 23 7491 1 1 7 LYS O O -2.642 -1.333 0.410 1.00 . A A . 7 LYS O 1 1 23 7492 1 1 8 ASP C C -1.964 1.548 0.875 1.00 . A A . 8 ASP C 1 1 23 7493 1 1 8 ASP CA C -3.052 1.316 -0.278 1.00 . A A . 8 ASP CA 1 1 23 7494 1 1 8 ASP CB C -3.665 2.630 -0.790 1.00 . A A . 8 ASP CB 1 1 23 7495 1 1 8 ASP CG C -2.759 3.473 -1.696 1.00 . A A . 8 ASP CG 1 1 23 7496 1 1 8 ASP H H -5.087 0.656 0.390 1.00 . A A . 8 ASP H 1 1 23 7497 1 1 8 ASP HA H -2.520 0.847 -1.105 1.00 . A A . 8 ASP HA 1 1 23 7498 1 1 8 ASP HB2 H -4.598 2.441 -1.351 1.00 . A A . 8 ASP HB2 1 1 23 7499 1 1 8 ASP HB3 H -3.955 3.211 0.091 1.00 . A A . 8 ASP HB3 1 1 23 7500 1 1 8 ASP HD2 H -1.987 4.132 -0.034 1.00 . A A . 8 ASP HD2 1 1 23 7501 1 1 8 ASP N N -4.096 0.386 0.289 1.00 . A A . 8 ASP N 1 1 23 7502 1 1 8 ASP O O -0.779 1.743 0.593 1.00 . A A . 8 ASP O 1 1 23 7503 1 1 8 ASP OD1 O -2.824 3.451 -2.924 1.00 . A A . 8 ASP OD1 1 1 23 7504 1 1 8 ASP OD2 O -1.883 4.252 -0.982 1.00 . A A . 8 ASP OD2 1 1 23 7505 1 1 9 PHE C C -0.935 0.209 3.753 1.00 . A A . 9 PHE C 1 1 23 7506 1 1 9 PHE CA C -1.634 1.580 3.380 1.00 . A A . 9 PHE CA 1 1 23 7507 1 1 9 PHE CB C -2.504 2.216 4.506 1.00 . A A . 9 PHE CB 1 1 23 7508 1 1 9 PHE CD1 C -1.211 4.236 5.376 1.00 . A A . 9 PHE CD1 1 1 23 7509 1 1 9 PHE CD2 C -1.607 2.397 6.897 1.00 . A A . 9 PHE CD2 1 1 23 7510 1 1 9 PHE CE1 C -0.534 4.925 6.388 1.00 . A A . 9 PHE CE1 1 1 23 7511 1 1 9 PHE CE2 C -0.927 3.089 7.907 1.00 . A A . 9 PHE CE2 1 1 23 7512 1 1 9 PHE CG C -1.741 2.963 5.623 1.00 . A A . 9 PHE CG 1 1 23 7513 1 1 9 PHE CZ C -0.395 4.348 7.646 1.00 . A A . 9 PHE CZ 1 1 23 7514 1 1 9 PHE H H -3.435 1.394 2.212 1.00 . A A . 9 PHE H 1 1 23 7515 1 1 9 PHE HA H -0.868 2.313 3.194 1.00 . A A . 9 PHE HA 1 1 23 7516 1 1 9 PHE HB2 H -3.250 2.919 4.086 1.00 . A A . 9 PHE HB2 1 1 23 7517 1 1 9 PHE HB3 H -3.102 1.410 4.946 1.00 . A A . 9 PHE HB3 1 1 23 7518 1 1 9 PHE HD1 H -1.347 4.665 4.388 1.00 . A A . 9 PHE HD1 1 1 23 7519 1 1 9 PHE HD2 H -2.043 1.420 7.079 1.00 . A A . 9 PHE HD2 1 1 23 7520 1 1 9 PHE HE1 H -0.105 5.912 6.238 1.00 . A A . 9 PHE HE1 1 1 23 7521 1 1 9 PHE HE2 H -0.797 2.688 8.907 1.00 . A A . 9 PHE HE2 1 1 23 7522 1 1 9 PHE HZ H 0.126 4.883 8.427 1.00 . A A . 9 PHE HZ 1 1 23 7523 1 1 9 PHE N N -2.419 1.478 2.159 1.00 . A A . 9 PHE N 1 1 23 7524 1 1 9 PHE O O -0.672 0.053 4.950 1.00 . A A . 9 PHE O 1 1 23 7525 1 1 10 ILE C C 1.586 -1.590 3.219 1.00 . A A . 10 ILE C 1 1 23 7526 1 1 10 ILE CA C 0.095 -2.064 3.247 1.00 . A A . 10 ILE CA 1 1 23 7527 1 1 10 ILE CB C -0.094 -3.307 2.334 1.00 . A A . 10 ILE CB 1 1 23 7528 1 1 10 ILE CD1 C -1.810 -4.387 0.803 1.00 . A A . 10 ILE CD1 1 1 23 7529 1 1 10 ILE CG1 C -1.556 -3.731 2.162 1.00 . A A . 10 ILE CG1 1 1 23 7530 1 1 10 ILE CG2 C 0.755 -4.540 2.768 1.00 . A A . 10 ILE CG2 1 1 23 7531 1 1 10 ILE H H -1.289 -0.952 2.062 1.00 . A A . 10 ILE H 1 1 23 7532 1 1 10 ILE HA H -0.252 -2.402 4.228 1.00 . A A . 10 ILE HA 1 1 23 7533 1 1 10 ILE HB H 0.243 -2.993 1.355 1.00 . A A . 10 ILE HB 1 1 23 7534 1 1 10 ILE HD11 H -1.116 -5.222 0.621 1.00 . A A . 10 ILE HD11 1 1 23 7535 1 1 10 ILE HD12 H -1.674 -3.654 -0.015 1.00 . A A . 10 ILE HD12 1 1 23 7536 1 1 10 ILE HD13 H -2.830 -4.785 0.735 1.00 . A A . 10 ILE HD13 1 1 23 7537 1 1 10 ILE HG12 H -1.814 -4.393 2.988 1.00 . A A . 10 ILE HG12 1 1 23 7538 1 1 10 ILE HG13 H -2.228 -2.865 2.269 1.00 . A A . 10 ILE HG13 1 1 23 7539 1 1 10 ILE HG21 H 0.644 -5.392 2.070 1.00 . A A . 10 ILE HG21 1 1 23 7540 1 1 10 ILE HG22 H 1.837 -4.322 2.802 1.00 . A A . 10 ILE HG22 1 1 23 7541 1 1 10 ILE HG23 H 0.469 -4.903 3.773 1.00 . A A . 10 ILE HG23 1 1 23 7542 1 1 10 ILE N N -0.647 -0.812 2.851 1.00 . A A . 10 ILE N 1 1 23 7543 1 1 10 ILE O O 2.375 -1.866 2.313 1.00 . A A . 10 ILE O 1 1 23 7544 1 1 11 ASN C C 3.730 0.675 3.263 1.00 . A A . 11 ASN C 1 1 23 7545 1 1 11 ASN CA C 3.232 -0.197 4.502 1.00 . A A . 11 ASN CA 1 1 23 7546 1 1 11 ASN CB C 4.150 -1.311 5.040 1.00 . A A . 11 ASN CB 1 1 23 7547 1 1 11 ASN CG C 5.483 -0.870 5.679 1.00 . A A . 11 ASN CG 1 1 23 7548 1 1 11 ASN H H 1.033 -0.730 4.800 1.00 . A A . 11 ASN H 1 1 23 7549 1 1 11 ASN HA H 3.154 0.454 5.390 1.00 . A A . 11 ASN HA 1 1 23 7550 1 1 11 ASN HB2 H 3.565 -1.910 5.771 1.00 . A A . 11 ASN HB2 1 1 23 7551 1 1 11 ASN HB3 H 4.338 -1.988 4.208 1.00 . A A . 11 ASN HB3 1 1 23 7552 1 1 11 ASN HD21 H 6.374 -0.292 7.382 1.00 . A A . 11 ASN HD21 1 1 23 7553 1 1 11 ASN HD22 H 4.580 -0.675 7.454 1.00 . A A . 11 ASN HD22 1 1 23 7554 1 1 11 ASN N N 1.903 -0.820 4.259 1.00 . A A . 11 ASN N 1 1 23 7555 1 1 11 ASN ND2 N 5.479 -0.579 6.970 1.00 . A A . 11 ASN ND2 1 1 23 7556 1 1 11 ASN O O 4.939 0.720 3.021 1.00 . A A . 11 ASN O 1 1 23 7557 1 1 11 ASN OD1 O 6.523 -0.795 5.025 1.00 . A A . 11 ASN OD1 1 1 23 7558 1 1 12 ASN C C 3.465 1.339 0.051 1.00 . A A . 12 ASN C 1 1 23 7559 1 1 12 ASN CA C 3.158 2.213 1.308 1.00 . A A . 12 ASN CA 1 1 23 7560 1 1 12 ASN CB C 4.111 3.364 1.662 1.00 . A A . 12 ASN CB 1 1 23 7561 1 1 12 ASN CG C 4.425 4.376 0.554 1.00 . A A . 12 ASN CG 1 1 23 7562 1 1 12 ASN H H 1.845 1.077 2.457 1.00 . A A . 12 ASN H 1 1 23 7563 1 1 12 ASN HA H 2.240 2.765 1.081 1.00 . A A . 12 ASN HA 1 1 23 7564 1 1 12 ASN HB2 H 3.725 3.879 2.568 1.00 . A A . 12 ASN HB2 1 1 23 7565 1 1 12 ASN HB3 H 5.025 2.940 2.009 1.00 . A A . 12 ASN HB3 1 1 23 7566 1 1 12 ASN HD21 H 3.993 6.298 0.122 1.00 . A A . 12 ASN HD21 1 1 23 7567 1 1 12 ASN HD22 H 3.256 5.400 1.578 1.00 . A A . 12 ASN HD22 1 1 23 7568 1 1 12 ASN N N 2.827 1.371 2.485 1.00 . A A . 12 ASN N 1 1 23 7569 1 1 12 ASN ND2 N 3.729 5.474 0.672 1.00 . A A . 12 ASN ND2 1 1 23 7570 1 1 12 ASN O O 4.582 1.326 -0.466 1.00 . A A . 12 ASN O 1 1 23 7571 1 1 12 ASN OD1 O 5.257 4.196 -0.335 1.00 . A A . 12 ASN OD1 1 1 23 7572 1 1 13 LYS C C 3.345 -1.475 -1.499 1.00 . A A . 13 LYS C 1 1 23 7573 1 1 13 LYS CA C 2.436 -0.228 -1.644 1.00 . A A . 13 LYS CA 1 1 23 7574 1 1 13 LYS CB C 2.611 0.566 -2.969 1.00 . A A . 13 LYS CB 1 1 23 7575 1 1 13 LYS CD C 0.104 1.413 -3.170 1.00 . A A . 13 LYS CD 1 1 23 7576 1 1 13 LYS CE C -0.403 0.386 -4.200 1.00 . A A . 13 LYS CE 1 1 23 7577 1 1 13 LYS CG C 1.616 1.727 -3.231 1.00 . A A . 13 LYS CG 1 1 23 7578 1 1 13 LYS H H 1.558 0.710 0.110 1.00 . A A . 13 LYS H 1 1 23 7579 1 1 13 LYS HA H 1.426 -0.642 -1.688 1.00 . A A . 13 LYS HA 1 1 23 7580 1 1 13 LYS HB2 H 3.637 0.972 -3.013 1.00 . A A . 13 LYS HB2 1 1 23 7581 1 1 13 LYS HB3 H 2.545 -0.143 -3.814 1.00 . A A . 13 LYS HB3 1 1 23 7582 1 1 13 LYS HD2 H -0.159 1.086 -2.146 1.00 . A A . 13 LYS HD2 1 1 23 7583 1 1 13 LYS HD3 H -0.438 2.366 -3.313 1.00 . A A . 13 LYS HD3 1 1 23 7584 1 1 13 LYS HE2 H -0.179 0.728 -5.227 1.00 . A A . 13 LYS HE2 1 1 23 7585 1 1 13 LYS HE3 H 0.116 -0.580 -4.073 1.00 . A A . 13 LYS HE3 1 1 23 7586 1 1 13 LYS HG2 H 1.824 2.529 -2.498 1.00 . A A . 13 LYS HG2 1 1 23 7587 1 1 13 LYS HG3 H 1.852 2.177 -4.212 1.00 . A A . 13 LYS HG3 1 1 23 7588 1 1 13 LYS HZ1 H -2.356 1.032 -4.216 1.00 . A A . 13 LYS HZ1 1 1 23 7589 1 1 13 LYS HZ2 H -2.072 -0.216 -3.141 1.00 . A A . 13 LYS HZ2 1 1 23 7590 1 1 13 LYS HZ3 H -2.167 -0.544 -4.740 1.00 . A A . 13 LYS HZ3 1 1 23 7591 1 1 13 LYS N N 2.419 0.641 -0.437 1.00 . A A . 13 LYS N 1 1 23 7592 1 1 13 LYS NZ N -1.856 0.166 -4.068 1.00 . A A . 13 LYS NZ 1 1 23 7593 1 1 13 LYS O O 4.391 -1.591 -2.146 1.00 . A A . 13 LYS O 1 1 23 7594 1 1 14 HIS C C 5.045 -3.451 0.142 1.00 . A A . 14 HIS C 1 1 23 7595 1 1 14 HIS CA C 3.581 -3.705 -0.323 1.00 . A A . 14 HIS CA 1 1 23 7596 1 1 14 HIS CB C 3.440 -4.758 -1.460 1.00 . A A . 14 HIS CB 1 1 23 7597 1 1 14 HIS CD2 C 1.092 -4.765 -2.599 1.00 . A A . 14 HIS CD2 1 1 23 7598 1 1 14 HIS CE1 C 0.250 -6.417 -1.603 1.00 . A A . 14 HIS CE1 1 1 23 7599 1 1 14 HIS CG C 2.016 -5.280 -1.671 1.00 . A A . 14 HIS CG 1 1 23 7600 1 1 14 HIS H H 2.048 -2.105 -0.131 1.00 . A A . 14 HIS H 1 1 23 7601 1 1 14 HIS HA H 3.063 -4.129 0.552 1.00 . A A . 14 HIS HA 1 1 23 7602 1 1 14 HIS HB2 H 3.841 -4.354 -2.410 1.00 . A A . 14 HIS HB2 1 1 23 7603 1 1 14 HIS HB3 H 4.090 -5.626 -1.237 1.00 . A A . 14 HIS HB3 1 1 23 7604 1 1 14 HIS HD2 H 1.269 -3.928 -3.259 1.00 . A A . 14 HIS HD2 1 1 23 7605 1 1 14 HIS HE1 H -0.467 -7.173 -1.315 1.00 . A A . 14 HIS HE1 1 1 23 7606 1 1 14 HIS HE2 H -0.938 -5.396 -3.113 1.00 . A A . 14 HIS HE2 1 1 23 7607 1 1 14 HIS N N 2.883 -2.416 -0.643 1.00 . A A . 14 HIS N 1 1 23 7608 1 1 14 HIS ND1 N 1.482 -6.374 -0.996 1.00 . A A . 14 HIS ND1 1 1 23 7609 1 1 14 HIS NE2 N -0.076 -5.499 -2.564 1.00 . A A . 14 HIS NE2 1 1 23 7610 1 1 14 HIS O O 6.002 -3.941 -0.467 1.00 . A A . 14 HIS O 1 1 23 7611 1 1 15 LEU C C 7.413 -1.535 0.759 1.00 . A A . 15 LEU C 1 1 23 7612 1 1 15 LEU CA C 6.519 -2.285 1.818 1.00 . A A . 15 LEU CA 1 1 23 7613 1 1 15 LEU CB C 7.242 -3.484 2.523 1.00 . A A . 15 LEU CB 1 1 23 7614 1 1 15 LEU CD1 C 5.421 -5.201 3.270 1.00 . A A . 15 LEU CD1 1 1 23 7615 1 1 15 LEU CD2 C 7.642 -5.111 4.421 1.00 . A A . 15 LEU CD2 1 1 23 7616 1 1 15 LEU CG C 6.560 -4.236 3.719 1.00 . A A . 15 LEU CG 1 1 23 7617 1 1 15 LEU H H 4.332 -2.341 1.678 1.00 . A A . 15 LEU H 1 1 23 7618 1 1 15 LEU HA H 6.315 -1.517 2.577 1.00 . A A . 15 LEU HA 1 1 23 7619 1 1 15 LEU HB2 H 7.544 -4.220 1.752 1.00 . A A . 15 LEU HB2 1 1 23 7620 1 1 15 LEU HB3 H 8.206 -3.081 2.888 1.00 . A A . 15 LEU HB3 1 1 23 7621 1 1 15 LEU HD11 H 4.532 -4.679 2.873 1.00 . A A . 15 LEU HD11 1 1 23 7622 1 1 15 LEU HD12 H 5.044 -5.840 4.092 1.00 . A A . 15 LEU HD12 1 1 23 7623 1 1 15 LEU HD13 H 5.746 -5.903 2.473 1.00 . A A . 15 LEU HD13 1 1 23 7624 1 1 15 LEU HD21 H 8.488 -4.516 4.806 1.00 . A A . 15 LEU HD21 1 1 23 7625 1 1 15 LEU HD22 H 7.247 -5.681 5.283 1.00 . A A . 15 LEU HD22 1 1 23 7626 1 1 15 LEU HD23 H 8.089 -5.865 3.739 1.00 . A A . 15 LEU HD23 1 1 23 7627 1 1 15 LEU HG H 6.160 -3.477 4.455 1.00 . A A . 15 LEU HG 1 1 23 7628 1 1 15 LEU N N 5.201 -2.661 1.237 1.00 . A A . 15 LEU N 1 1 23 7629 1 1 15 LEU O O 8.635 -1.715 0.742 1.00 . A A . 15 LEU O 1 1 23 7630 1 1 16 ASN C C 8.301 -0.864 -2.121 1.00 . A A . 16 ASN C 1 1 23 7631 1 1 16 ASN CA C 7.513 0.100 -1.173 1.00 . A A . 16 ASN CA 1 1 23 7632 1 1 16 ASN CB C 8.229 1.308 -0.552 1.00 . A A . 16 ASN CB 1 1 23 7633 1 1 16 ASN CG C 8.846 2.307 -1.538 1.00 . A A . 16 ASN CG 1 1 23 7634 1 1 16 ASN H H 5.794 -0.525 0.010 1.00 . A A . 16 ASN H 1 1 23 7635 1 1 16 ASN HA H 6.745 0.594 -1.779 1.00 . A A . 16 ASN HA 1 1 23 7636 1 1 16 ASN HB2 H 7.504 1.803 0.131 1.00 . A A . 16 ASN HB2 1 1 23 7637 1 1 16 ASN HB3 H 9.004 0.981 0.112 1.00 . A A . 16 ASN HB3 1 1 23 7638 1 1 16 ASN HD21 H 8.498 4.190 -2.176 1.00 . A A . 16 ASN HD21 1 1 23 7639 1 1 16 ASN HD22 H 7.354 3.294 -1.009 1.00 . A A . 16 ASN HD22 1 1 23 7640 1 1 16 ASN N N 6.808 -0.667 -0.108 1.00 . A A . 16 ASN N 1 1 23 7641 1 1 16 ASN ND2 N 8.106 3.370 -1.701 1.00 . A A . 16 ASN ND2 1 1 23 7642 1 1 16 ASN O O 9.532 -0.819 -2.199 1.00 . A A . 16 ASN O 1 1 23 7643 1 1 16 ASN OD1 O 9.930 2.148 -2.095 1.00 . A A . 16 ASN OD1 1 1 23 7644 1 1 17 GLU C C 9.180 -3.700 -3.126 1.00 . A A . 17 GLU C 1 1 23 7645 1 1 17 GLU CA C 8.054 -2.795 -3.718 1.00 . A A . 17 GLU CA 1 1 23 7646 1 1 17 GLU CB C 8.291 -2.190 -5.105 1.00 . A A . 17 GLU CB 1 1 23 7647 1 1 17 GLU CD C 7.265 -1.000 -7.141 1.00 . A A . 17 GLU CD 1 1 23 7648 1 1 17 GLU CG C 7.033 -1.559 -5.737 1.00 . A A . 17 GLU CG 1 1 23 7649 1 1 17 GLU H H 6.564 -1.553 -2.949 1.00 . A A . 17 GLU H 1 1 23 7650 1 1 17 GLU HA H 7.194 -3.437 -3.918 1.00 . A A . 17 GLU HA 1 1 23 7651 1 1 17 GLU HB2 H 9.121 -1.480 -5.049 1.00 . A A . 17 GLU HB2 1 1 23 7652 1 1 17 GLU HB3 H 8.605 -3.014 -5.741 1.00 . A A . 17 GLU HB3 1 1 23 7653 1 1 17 GLU HE2 H 7.219 -1.592 -8.995 1.00 . A A . 17 GLU HE2 1 1 23 7654 1 1 17 GLU HG2 H 6.207 -2.292 -5.732 1.00 . A A . 17 GLU HG2 1 1 23 7655 1 1 17 GLU HG3 H 6.670 -0.767 -5.068 1.00 . A A . 17 GLU HG3 1 1 23 7656 1 1 17 GLU N N 7.548 -1.778 -2.782 1.00 . A A . 17 GLU N 1 1 23 7657 1 1 17 GLU O O 10.322 -3.681 -3.594 1.00 . A A . 17 GLU O 1 1 23 7658 1 1 17 GLU OE1 O 7.587 0.168 -7.361 1.00 . A A . 17 GLU OE1 1 1 23 7659 1 1 17 GLU OE2 O 7.072 -1.947 -8.115 1.00 . A A . 17 GLU OE2 1 1 23 7660 1 1 18 HIS C C 10.996 -4.708 -0.765 1.00 . A A . 18 HIS C 1 1 23 7661 1 1 18 HIS CA C 9.721 -5.406 -1.339 1.00 . A A . 18 HIS CA 1 1 23 7662 1 1 18 HIS CB C 9.949 -6.665 -2.208 1.00 . A A . 18 HIS CB 1 1 23 7663 1 1 18 HIS CD2 C 10.828 -9.069 -2.129 1.00 . A A . 18 HIS CD2 1 1 23 7664 1 1 18 HIS CE1 C 11.215 -9.265 -0.074 1.00 . A A . 18 HIS CE1 1 1 23 7665 1 1 18 HIS CG C 10.529 -7.867 -1.479 1.00 . A A . 18 HIS CG 1 1 23 7666 1 1 18 HIS H H 7.820 -4.487 -1.870 1.00 . A A . 18 HIS H 1 1 23 7667 1 1 18 HIS HA H 9.135 -5.768 -0.472 1.00 . A A . 18 HIS HA 1 1 23 7668 1 1 18 HIS HB2 H 8.983 -6.988 -2.643 1.00 . A A . 18 HIS HB2 1 1 23 7669 1 1 18 HIS HB3 H 10.575 -6.407 -3.079 1.00 . A A . 18 HIS HB3 1 1 23 7670 1 1 18 HIS HD2 H 10.673 -9.228 -3.186 1.00 . A A . 18 HIS HD2 1 1 23 7671 1 1 18 HIS HE1 H 11.502 -9.707 0.869 1.00 . A A . 18 HIS HE1 1 1 23 7672 1 1 18 HIS HE2 H 11.572 -10.980 -1.368 1.00 . A A . 18 HIS HE2 1 1 23 7673 1 1 18 HIS N N 8.823 -4.469 -2.068 1.00 . A A . 18 HIS N 1 1 23 7674 1 1 18 HIS ND1 N 10.765 -7.966 -0.113 1.00 . A A . 18 HIS ND1 1 1 23 7675 1 1 18 HIS NE2 N 11.290 -10.003 -1.225 1.00 . A A . 18 HIS NE2 1 1 23 7676 1 1 18 HIS O O 12.082 -4.795 -1.347 1.00 . A A . 18 HIS O 1 1 23 7677 1 1 19 ALA C C 11.475 -3.027 2.525 1.00 . A A . 19 ALA C 1 1 23 7678 1 1 19 ALA CA C 11.910 -3.272 1.055 1.00 . A A . 19 ALA CA 1 1 23 7679 1 1 19 ALA CB C 12.266 -1.953 0.328 1.00 . A A . 19 ALA CB 1 1 23 7680 1 1 19 ALA H H 9.911 -4.107 0.814 1.00 . A A . 19 ALA H 1 1 23 7681 1 1 19 ALA HA H 12.801 -3.920 1.043 1.00 . A A . 19 ALA HA 1 1 23 7682 1 1 19 ALA HB1 H 12.620 -2.136 -0.703 1.00 . A A . 19 ALA HB1 1 1 23 7683 1 1 19 ALA HB2 H 11.405 -1.263 0.261 1.00 . A A . 19 ALA HB2 1 1 23 7684 1 1 19 ALA HB3 H 13.080 -1.414 0.849 1.00 . A A . 19 ALA HB3 1 1 23 7685 1 1 19 ALA N N 10.822 -3.999 0.367 1.00 . A A . 19 ALA N 1 1 23 7686 1 1 19 ALA O O 10.771 -2.058 2.828 1.00 . A A . 19 ALA O 1 1 23 7687 1 1 20 HIS C C 12.525 -2.835 5.633 1.00 . A A . 20 HIS C 1 1 23 7688 1 1 20 HIS CA C 11.593 -3.835 4.884 1.00 . A A . 20 HIS CA 1 1 23 7689 1 1 20 HIS CB C 11.539 -5.266 5.479 1.00 . A A . 20 HIS CB 1 1 23 7690 1 1 20 HIS CD2 C 10.642 -6.564 7.502 1.00 . A A . 20 HIS CD2 1 1 23 7691 1 1 20 HIS CE1 C 9.558 -5.046 8.468 1.00 . A A . 20 HIS CE1 1 1 23 7692 1 1 20 HIS CG C 10.784 -5.363 6.797 1.00 . A A . 20 HIS CG 1 1 23 7693 1 1 20 HIS H H 12.373 -4.745 3.059 1.00 . A A . 20 HIS H 1 1 23 7694 1 1 20 HIS HXT H 14.062 -4.024 5.467 1.00 . A A . 20 HIS HXT 1 1 23 7695 1 1 20 HIS HA H 10.563 -3.457 4.956 1.00 . A A . 20 HIS HA 1 1 23 7696 1 1 20 HIS HB2 H 11.032 -5.963 4.782 1.00 . A A . 20 HIS HB2 1 1 23 7697 1 1 20 HIS HB3 H 12.555 -5.685 5.603 1.00 . A A . 20 HIS HB3 1 1 23 7698 1 1 20 HIS HD2 H 11.067 -7.502 7.178 1.00 . A A . 20 HIS HD2 1 1 23 7699 1 1 20 HIS HE1 H 8.919 -4.552 9.187 1.00 . A A . 20 HIS HE1 1 1 23 7700 1 1 20 HIS HE2 H 9.526 -7.052 9.318 1.00 . A A . 20 HIS HE2 1 1 23 7701 1 1 20 HIS N N 11.915 -3.917 3.439 1.00 . A A . 20 HIS N 1 1 23 7702 1 1 20 HIS ND1 N 10.070 -4.338 7.407 1.00 . A A . 20 HIS ND1 1 1 23 7703 1 1 20 HIS NE2 N 9.845 -6.379 8.613 1.00 . A A . 20 HIS NE2 1 1 23 7704 1 1 20 HIS O O 12.081 -1.761 6.041 1.00 . A A . 20 HIS O 1 1 23 7705 1 1 20 HIS OXT O 13.879 -3.160 5.843 1.00 . A A . 20 HIS OXT 1 1 24 7706 1 1 1 SER C C -6.554 -8.127 10.244 1.00 . A A . 1 SER C 1 1 24 7707 1 1 1 SER CA C -7.548 -8.828 9.254 1.00 . A A . 1 SER CA 1 1 24 7708 1 1 1 SER CB C -7.713 -10.337 9.495 1.00 . A A . 1 SER CB 1 1 24 7709 1 1 1 SER H1 H -6.700 -7.833 8.023 1.00 . A A . 1 SER H1 1 1 24 7710 1 1 1 SER H2 H -7.857 -8.085 7.224 1.00 . A A . 1 SER H2 1 1 24 7711 1 1 1 SER H3 H -6.440 -9.106 7.429 1.00 . A A . 1 SER H3 1 1 24 7712 1 1 1 SER HA H -8.525 -8.422 9.452 1.00 . A A . 1 SER HA 1 1 24 7713 1 1 1 SER HB2 H -8.308 -10.820 8.695 1.00 . A A . 1 SER HB2 1 1 24 7714 1 1 1 SER HB3 H -6.719 -10.799 9.481 1.00 . A A . 1 SER HB3 1 1 24 7715 1 1 1 SER HG H -7.778 -10.196 11.413 1.00 . A A . 1 SER HG 1 1 24 7716 1 1 1 SER N N -7.257 -8.648 7.809 1.00 . A A . 1 SER N 1 1 24 7717 1 1 1 SER O O -6.331 -8.602 11.362 1.00 . A A . 1 SER O 1 1 24 7718 1 1 1 SER OG O -8.339 -10.598 10.746 1.00 . A A . 1 SER OG 1 1 24 7719 1 1 2 ASP C C -5.016 -4.760 9.965 1.00 . A A . 2 ASP C 1 1 24 7720 1 1 2 ASP CA C -5.062 -6.160 10.644 1.00 . A A . 2 ASP CA 1 1 24 7721 1 1 2 ASP CB C -3.656 -6.824 10.797 1.00 . A A . 2 ASP CB 1 1 24 7722 1 1 2 ASP CG C -2.846 -6.240 11.963 1.00 . A A . 2 ASP CG 1 1 24 7723 1 1 2 ASP H H -6.352 -6.650 8.938 1.00 . A A . 2 ASP H 1 1 24 7724 1 1 2 ASP HA H -5.540 -6.039 11.638 1.00 . A A . 2 ASP HA 1 1 24 7725 1 1 2 ASP HB2 H -3.728 -7.926 10.926 1.00 . A A . 2 ASP HB2 1 1 24 7726 1 1 2 ASP HB3 H -3.072 -6.715 9.864 1.00 . A A . 2 ASP HB3 1 1 24 7727 1 1 2 ASP HD2 H -3.542 -7.749 12.978 1.00 . A A . 2 ASP HD2 1 1 24 7728 1 1 2 ASP N N -5.985 -6.980 9.831 1.00 . A A . 2 ASP N 1 1 24 7729 1 1 2 ASP O O -4.080 -4.424 9.222 1.00 . A A . 2 ASP O 1 1 24 7730 1 1 2 ASP OD1 O -2.175 -5.214 11.877 1.00 . A A . 2 ASP OD1 1 1 24 7731 1 1 2 ASP OD2 O -2.973 -6.988 13.106 1.00 . A A . 2 ASP OD2 1 1 24 7732 1 1 3 THR C C -4.984 -1.581 10.083 1.00 . A A . 3 THR C 1 1 24 7733 1 1 3 THR CA C -6.125 -2.562 9.713 1.00 . A A . 3 THR CA 1 1 24 7734 1 1 3 THR CB C -7.558 -2.026 9.908 1.00 . A A . 3 THR CB 1 1 24 7735 1 1 3 THR CG2 C -7.889 -1.062 8.777 1.00 . A A . 3 THR CG2 1 1 24 7736 1 1 3 THR H H -6.950 -4.301 10.455 1.00 . A A . 3 THR H 1 1 24 7737 1 1 3 THR HA H -6.021 -2.708 8.637 1.00 . A A . 3 THR HA 1 1 24 7738 1 1 3 THR HB H -7.587 -1.533 10.881 1.00 . A A . 3 THR HB 1 1 24 7739 1 1 3 THR HG1 H -9.407 -2.569 10.019 1.00 . A A . 3 THR HG1 1 1 24 7740 1 1 3 THR HG21 H -8.906 -0.665 8.886 1.00 . A A . 3 THR HG21 1 1 24 7741 1 1 3 THR HG22 H -7.164 -0.235 8.759 1.00 . A A . 3 THR HG22 1 1 24 7742 1 1 3 THR HG23 H -7.814 -1.594 7.806 1.00 . A A . 3 THR HG23 1 1 24 7743 1 1 3 THR N N -6.023 -3.911 10.272 1.00 . A A . 3 THR N 1 1 24 7744 1 1 3 THR O O -4.635 -0.796 9.208 1.00 . A A . 3 THR O 1 1 24 7745 1 1 3 THR OG1 O -8.576 -3.032 9.883 1.00 . A A . 3 THR OG1 1 1 24 7746 1 1 4 ARG C C -2.024 -0.900 10.687 1.00 . A A . 4 ARG C 1 1 24 7747 1 1 4 ARG CA C -3.237 -0.701 11.656 1.00 . A A . 4 ARG CA 1 1 24 7748 1 1 4 ARG CB C -2.792 -0.881 13.138 1.00 . A A . 4 ARG CB 1 1 24 7749 1 1 4 ARG CD C -4.665 0.551 14.284 1.00 . A A . 4 ARG CD 1 1 24 7750 1 1 4 ARG CG C -3.880 -0.795 14.238 1.00 . A A . 4 ARG CG 1 1 24 7751 1 1 4 ARG CZ C -6.995 0.091 15.112 1.00 . A A . 4 ARG CZ 1 1 24 7752 1 1 4 ARG H H -4.841 -2.202 11.981 1.00 . A A . 4 ARG H 1 1 24 7753 1 1 4 ARG HA H -3.582 0.334 11.453 1.00 . A A . 4 ARG HA 1 1 24 7754 1 1 4 ARG HB2 H -2.292 -1.865 13.254 1.00 . A A . 4 ARG HB2 1 1 24 7755 1 1 4 ARG HB3 H -1.993 -0.153 13.380 1.00 . A A . 4 ARG HB3 1 1 24 7756 1 1 4 ARG HD2 H -3.989 1.399 14.515 1.00 . A A . 4 ARG HD2 1 1 24 7757 1 1 4 ARG HD3 H -5.093 0.827 13.298 1.00 . A A . 4 ARG HD3 1 1 24 7758 1 1 4 ARG HE H -5.498 0.861 16.238 1.00 . A A . 4 ARG HE 1 1 24 7759 1 1 4 ARG HG2 H -4.569 -1.656 14.114 1.00 . A A . 4 ARG HG2 1 1 24 7760 1 1 4 ARG HG3 H -3.400 -1.004 15.217 1.00 . A A . 4 ARG HG3 1 1 24 7761 1 1 4 ARG HH11 H -8.424 -0.685 13.924 1.00 . A A . 4 ARG HH11 1 1 24 7762 1 1 4 ARG HH12 H -6.770 -0.412 13.175 1.00 . A A . 4 ARG HH12 1 1 24 7763 1 1 4 ARG HH21 H -7.470 0.506 17.012 1.00 . A A . 4 ARG HH21 1 1 24 7764 1 1 4 ARG HH22 H -8.790 -0.199 15.951 1.00 . A A . 4 ARG HH22 1 1 24 7765 1 1 4 ARG N N -4.392 -1.595 11.297 1.00 . A A . 4 ARG N 1 1 24 7766 1 1 4 ARG NE N -5.732 0.526 15.313 1.00 . A A . 4 ARG NE 1 1 24 7767 1 1 4 ARG NH1 N -7.442 -0.385 13.950 1.00 . A A . 4 ARG NH1 1 1 24 7768 1 1 4 ARG NH2 N -7.837 0.138 16.127 1.00 . A A . 4 ARG NH2 1 1 24 7769 1 1 4 ARG O O -1.325 0.060 10.361 1.00 . A A . 4 ARG O 1 1 24 7770 1 1 5 TYR C C -1.087 -1.907 7.847 1.00 . A A . 5 TYR C 1 1 24 7771 1 1 5 TYR CA C -0.715 -2.489 9.270 1.00 . A A . 5 TYR CA 1 1 24 7772 1 1 5 TYR CB C -0.392 -4.006 9.238 1.00 . A A . 5 TYR CB 1 1 24 7773 1 1 5 TYR CD1 C 0.630 -4.865 7.061 1.00 . A A . 5 TYR CD1 1 1 24 7774 1 1 5 TYR CD2 C 2.094 -4.512 8.951 1.00 . A A . 5 TYR CD2 1 1 24 7775 1 1 5 TYR CE1 C 1.709 -5.334 6.314 1.00 . A A . 5 TYR CE1 1 1 24 7776 1 1 5 TYR CE2 C 3.170 -4.988 8.204 1.00 . A A . 5 TYR CE2 1 1 24 7777 1 1 5 TYR CG C 0.814 -4.452 8.387 1.00 . A A . 5 TYR CG 1 1 24 7778 1 1 5 TYR CZ C 2.977 -5.398 6.887 1.00 . A A . 5 TYR CZ 1 1 24 7779 1 1 5 TYR H H -2.439 -2.829 10.643 1.00 . A A . 5 TYR H 1 1 24 7780 1 1 5 TYR HA H 0.191 -2.023 9.627 1.00 . A A . 5 TYR HA 1 1 24 7781 1 1 5 TYR HB2 H -0.230 -4.388 10.265 1.00 . A A . 5 TYR HB2 1 1 24 7782 1 1 5 TYR HB3 H -1.284 -4.529 8.877 1.00 . A A . 5 TYR HB3 1 1 24 7783 1 1 5 TYR HD1 H -0.350 -4.833 6.608 1.00 . A A . 5 TYR HD1 1 1 24 7784 1 1 5 TYR HD2 H 2.258 -4.204 9.974 1.00 . A A . 5 TYR HD2 1 1 24 7785 1 1 5 TYR HE1 H 1.556 -5.648 5.291 1.00 . A A . 5 TYR HE1 1 1 24 7786 1 1 5 TYR HE2 H 4.154 -5.032 8.648 1.00 . A A . 5 TYR HE2 1 1 24 7787 1 1 5 TYR HH H 3.733 -6.080 5.266 1.00 . A A . 5 TYR HH 1 1 24 7788 1 1 5 TYR N N -1.777 -2.154 10.253 1.00 . A A . 5 TYR N 1 1 24 7789 1 1 5 TYR O O -0.182 -1.461 7.138 1.00 . A A . 5 TYR O 1 1 24 7790 1 1 5 TYR OH O 4.040 -5.848 6.147 1.00 . A A . 5 TYR OH 1 1 24 7791 1 1 6 ASN C C -3.525 0.042 6.094 1.00 . A A . 6 ASN C 1 1 24 7792 1 1 6 ASN CA C -2.886 -1.382 6.162 1.00 . A A . 6 ASN CA 1 1 24 7793 1 1 6 ASN CB C -3.866 -2.376 5.468 1.00 . A A . 6 ASN CB 1 1 24 7794 1 1 6 ASN CG C -3.484 -3.871 5.411 1.00 . A A . 6 ASN CG 1 1 24 7795 1 1 6 ASN H H -3.040 -2.278 8.150 1.00 . A A . 6 ASN H 1 1 24 7796 1 1 6 ASN HA H -2.020 -1.336 5.518 1.00 . A A . 6 ASN HA 1 1 24 7797 1 1 6 ASN HB2 H -4.872 -2.254 5.907 1.00 . A A . 6 ASN HB2 1 1 24 7798 1 1 6 ASN HB3 H -4.014 -2.022 4.426 1.00 . A A . 6 ASN HB3 1 1 24 7799 1 1 6 ASN HD21 H -2.309 -5.241 4.536 1.00 . A A . 6 ASN HD21 1 1 24 7800 1 1 6 ASN HD22 H -2.134 -3.503 3.975 1.00 . A A . 6 ASN HD22 1 1 24 7801 1 1 6 ASN N N -2.392 -1.893 7.462 1.00 . A A . 6 ASN N 1 1 24 7802 1 1 6 ASN ND2 N -2.547 -4.242 4.553 1.00 . A A . 6 ASN ND2 1 1 24 7803 1 1 6 ASN O O -3.915 0.410 4.982 1.00 . A A . 6 ASN O 1 1 24 7804 1 1 6 ASN OD1 O -4.028 -4.696 6.144 1.00 . A A . 6 ASN OD1 1 1 24 7805 1 1 7 LYS C C -3.377 3.427 6.586 1.00 . A A . 7 LYS C 1 1 24 7806 1 1 7 LYS CA C -4.288 2.220 6.999 1.00 . A A . 7 LYS CA 1 1 24 7807 1 1 7 LYS CB C -5.454 2.368 7.994 1.00 . A A . 7 LYS CB 1 1 24 7808 1 1 7 LYS CD C -4.097 3.534 9.755 1.00 . A A . 7 LYS CD 1 1 24 7809 1 1 7 LYS CE C -2.654 3.012 9.798 1.00 . A A . 7 LYS CE 1 1 24 7810 1 1 7 LYS CG C -5.162 2.477 9.490 1.00 . A A . 7 LYS CG 1 1 24 7811 1 1 7 LYS H H -3.424 0.577 8.097 1.00 . A A . 7 LYS H 1 1 24 7812 1 1 7 LYS HA H -4.887 2.182 6.141 1.00 . A A . 7 LYS HA 1 1 24 7813 1 1 7 LYS HB2 H -6.040 3.249 7.675 1.00 . A A . 7 LYS HB2 1 1 24 7814 1 1 7 LYS HB3 H -6.142 1.516 7.832 1.00 . A A . 7 LYS HB3 1 1 24 7815 1 1 7 LYS HD2 H -4.162 4.265 8.928 1.00 . A A . 7 LYS HD2 1 1 24 7816 1 1 7 LYS HD3 H -4.376 4.059 10.657 1.00 . A A . 7 LYS HD3 1 1 24 7817 1 1 7 LYS HE2 H -2.588 2.035 9.285 1.00 . A A . 7 LYS HE2 1 1 24 7818 1 1 7 LYS HE3 H -2.037 3.687 9.179 1.00 . A A . 7 LYS HE3 1 1 24 7819 1 1 7 LYS HG2 H -6.104 2.755 9.997 1.00 . A A . 7 LYS HG2 1 1 24 7820 1 1 7 LYS HG3 H -4.873 1.505 9.916 1.00 . A A . 7 LYS HG3 1 1 24 7821 1 1 7 LYS HZ1 H -1.149 2.598 11.137 1.00 . A A . 7 LYS HZ1 1 1 24 7822 1 1 7 LYS HZ2 H -2.681 2.299 11.736 1.00 . A A . 7 LYS HZ2 1 1 24 7823 1 1 7 LYS HZ3 H -2.154 3.842 11.621 1.00 . A A . 7 LYS HZ3 1 1 24 7824 1 1 7 LYS N N -3.663 0.879 7.150 1.00 . A A . 7 LYS N 1 1 24 7825 1 1 7 LYS NZ N -2.104 2.925 11.164 1.00 . A A . 7 LYS NZ 1 1 24 7826 1 1 7 LYS O O -3.868 4.546 6.412 1.00 . A A . 7 LYS O 1 1 24 7827 1 1 8 ASP C C -0.841 3.780 4.436 1.00 . A A . 8 ASP C 1 1 24 7828 1 1 8 ASP CA C -1.062 4.164 5.951 1.00 . A A . 8 ASP CA 1 1 24 7829 1 1 8 ASP CB C 0.177 4.024 6.854 1.00 . A A . 8 ASP CB 1 1 24 7830 1 1 8 ASP CG C 1.204 5.155 6.715 1.00 . A A . 8 ASP CG 1 1 24 7831 1 1 8 ASP H H -1.857 2.184 6.425 1.00 . A A . 8 ASP H 1 1 24 7832 1 1 8 ASP HA H -1.391 5.200 6.073 1.00 . A A . 8 ASP HA 1 1 24 7833 1 1 8 ASP HB2 H -0.129 3.943 7.916 1.00 . A A . 8 ASP HB2 1 1 24 7834 1 1 8 ASP HB3 H 0.660 3.073 6.608 1.00 . A A . 8 ASP HB3 1 1 24 7835 1 1 8 ASP HD2 H 0.080 6.104 7.990 1.00 . A A . 8 ASP HD2 1 1 24 7836 1 1 8 ASP N N -2.070 3.176 6.411 1.00 . A A . 8 ASP N 1 1 24 7837 1 1 8 ASP O O 0.284 3.510 4.004 1.00 . A A . 8 ASP O 1 1 24 7838 1 1 8 ASP OD1 O 2.193 5.087 5.985 1.00 . A A . 8 ASP OD1 1 1 24 7839 1 1 8 ASP OD2 O 0.890 6.240 7.492 1.00 . A A . 8 ASP OD2 1 1 24 7840 1 1 9 PHE C C -1.564 1.902 2.000 1.00 . A A . 9 PHE C 1 1 24 7841 1 1 9 PHE CA C -2.003 3.409 2.196 1.00 . A A . 9 PHE CA 1 1 24 7842 1 1 9 PHE CB C -1.280 4.527 1.420 1.00 . A A . 9 PHE CB 1 1 24 7843 1 1 9 PHE CD1 C -0.266 4.419 -0.912 1.00 . A A . 9 PHE CD1 1 1 24 7844 1 1 9 PHE CD2 C -2.648 4.799 -0.719 1.00 . A A . 9 PHE CD2 1 1 24 7845 1 1 9 PHE CE1 C -0.363 4.532 -2.304 1.00 . A A . 9 PHE CE1 1 1 24 7846 1 1 9 PHE CE2 C -2.743 4.892 -2.113 1.00 . A A . 9 PHE CE2 1 1 24 7847 1 1 9 PHE CG C -1.408 4.554 -0.114 1.00 . A A . 9 PHE CG 1 1 24 7848 1 1 9 PHE CZ C -1.601 4.761 -2.896 1.00 . A A . 9 PHE CZ 1 1 24 7849 1 1 9 PHE H H -2.802 3.981 4.133 1.00 . A A . 9 PHE H 1 1 24 7850 1 1 9 PHE HA H -3.038 3.561 1.843 1.00 . A A . 9 PHE HA 1 1 24 7851 1 1 9 PHE HB2 H -1.670 5.484 1.824 1.00 . A A . 9 PHE HB2 1 1 24 7852 1 1 9 PHE HB3 H -0.232 4.500 1.725 1.00 . A A . 9 PHE HB3 1 1 24 7853 1 1 9 PHE HD1 H 0.689 4.245 -0.423 1.00 . A A . 9 PHE HD1 1 1 24 7854 1 1 9 PHE HD2 H -3.518 4.919 -0.082 1.00 . A A . 9 PHE HD2 1 1 24 7855 1 1 9 PHE HE1 H 0.498 4.455 -2.958 1.00 . A A . 9 PHE HE1 1 1 24 7856 1 1 9 PHE HE2 H -3.684 5.080 -2.624 1.00 . A A . 9 PHE HE2 1 1 24 7857 1 1 9 PHE HZ H -1.674 4.844 -3.970 1.00 . A A . 9 PHE HZ 1 1 24 7858 1 1 9 PHE N N -1.949 3.754 3.637 1.00 . A A . 9 PHE N 1 1 24 7859 1 1 9 PHE O O -0.739 1.652 1.115 1.00 . A A . 9 PHE O 1 1 24 7860 1 1 10 ILE C C -0.140 -0.718 2.852 1.00 . A A . 10 ILE C 1 1 24 7861 1 1 10 ILE CA C -1.689 -0.547 2.711 1.00 . A A . 10 ILE CA 1 1 24 7862 1 1 10 ILE CB C -2.486 -1.167 1.525 1.00 . A A . 10 ILE CB 1 1 24 7863 1 1 10 ILE CD1 C -4.875 -0.697 0.617 1.00 . A A . 10 ILE CD1 1 1 24 7864 1 1 10 ILE CG1 C -4.019 -1.169 1.794 1.00 . A A . 10 ILE CG1 1 1 24 7865 1 1 10 ILE CG2 C -2.028 -2.567 1.048 1.00 . A A . 10 ILE CG2 1 1 24 7866 1 1 10 ILE H H -2.976 0.910 3.282 1.00 . A A . 10 ILE H 1 1 24 7867 1 1 10 ILE HA H -2.146 -1.008 3.597 1.00 . A A . 10 ILE HA 1 1 24 7868 1 1 10 ILE HB H -2.337 -0.472 0.712 1.00 . A A . 10 ILE HB 1 1 24 7869 1 1 10 ILE HD11 H -4.625 0.350 0.359 1.00 . A A . 10 ILE HD11 1 1 24 7870 1 1 10 ILE HD12 H -5.945 -0.722 0.883 1.00 . A A . 10 ILE HD12 1 1 24 7871 1 1 10 ILE HD13 H -4.716 -1.320 -0.278 1.00 . A A . 10 ILE HD13 1 1 24 7872 1 1 10 ILE HG12 H -4.308 -2.171 2.120 1.00 . A A . 10 ILE HG12 1 1 24 7873 1 1 10 ILE HG13 H -4.290 -0.505 2.639 1.00 . A A . 10 ILE HG13 1 1 24 7874 1 1 10 ILE HG21 H -2.672 -2.956 0.237 1.00 . A A . 10 ILE HG21 1 1 24 7875 1 1 10 ILE HG22 H -2.047 -3.310 1.864 1.00 . A A . 10 ILE HG22 1 1 24 7876 1 1 10 ILE HG23 H -1.001 -2.557 0.638 1.00 . A A . 10 ILE HG23 1 1 24 7877 1 1 10 ILE N N -2.055 0.892 2.812 1.00 . A A . 10 ILE N 1 1 24 7878 1 1 10 ILE O O 0.543 -1.126 1.908 1.00 . A A . 10 ILE O 1 1 24 7879 1 1 11 ASN C C 2.782 0.356 3.330 1.00 . A A . 11 ASN C 1 1 24 7880 1 1 11 ASN CA C 1.856 -0.413 4.372 1.00 . A A . 11 ASN CA 1 1 24 7881 1 1 11 ASN CB C 2.230 -1.892 4.650 1.00 . A A . 11 ASN CB 1 1 24 7882 1 1 11 ASN CG C 3.569 -2.142 5.368 1.00 . A A . 11 ASN CG 1 1 24 7883 1 1 11 ASN H H -0.287 -0.180 4.783 1.00 . A A . 11 ASN H 1 1 24 7884 1 1 11 ASN HA H 1.998 0.015 5.382 1.00 . A A . 11 ASN HA 1 1 24 7885 1 1 11 ASN HB2 H 1.428 -2.387 5.233 1.00 . A A . 11 ASN HB2 1 1 24 7886 1 1 11 ASN HB3 H 2.233 -2.410 3.691 1.00 . A A . 11 ASN HB3 1 1 24 7887 1 1 11 ASN HD21 H 4.528 -2.033 7.130 1.00 . A A . 11 ASN HD21 1 1 24 7888 1 1 11 ASN HD22 H 2.767 -1.508 7.075 1.00 . A A . 11 ASN HD22 1 1 24 7889 1 1 11 ASN N N 0.400 -0.343 4.042 1.00 . A A . 11 ASN N 1 1 24 7890 1 1 11 ASN ND2 N 3.635 -1.859 6.658 1.00 . A A . 11 ASN ND2 1 1 24 7891 1 1 11 ASN O O 3.939 -0.043 3.163 1.00 . A A . 11 ASN O 1 1 24 7892 1 1 11 ASN OD1 O 4.543 -2.589 4.770 1.00 . A A . 11 ASN OD1 1 1 24 7893 1 1 12 ASN C C 3.492 1.328 0.408 1.00 . A A . 12 ASN C 1 1 24 7894 1 1 12 ASN CA C 3.127 2.219 1.637 1.00 . A A . 12 ASN CA 1 1 24 7895 1 1 12 ASN CB C 4.241 3.033 2.325 1.00 . A A . 12 ASN CB 1 1 24 7896 1 1 12 ASN CG C 5.075 3.962 1.430 1.00 . A A . 12 ASN CG 1 1 24 7897 1 1 12 ASN H H 1.352 1.755 2.723 1.00 . A A . 12 ASN H 1 1 24 7898 1 1 12 ASN HA H 2.481 3.010 1.258 1.00 . A A . 12 ASN HA 1 1 24 7899 1 1 12 ASN HB2 H 3.799 3.598 3.174 1.00 . A A . 12 ASN HB2 1 1 24 7900 1 1 12 ASN HB3 H 4.908 2.361 2.822 1.00 . A A . 12 ASN HB3 1 1 24 7901 1 1 12 ASN HD21 H 5.287 5.945 1.124 1.00 . A A . 12 ASN HD21 1 1 24 7902 1 1 12 ASN HD22 H 3.999 5.229 2.267 1.00 . A A . 12 ASN HD22 1 1 24 7903 1 1 12 ASN N N 2.328 1.455 2.637 1.00 . A A . 12 ASN N 1 1 24 7904 1 1 12 ASN ND2 N 4.689 5.206 1.509 1.00 . A A . 12 ASN ND2 1 1 24 7905 1 1 12 ASN O O 4.670 1.117 0.127 1.00 . A A . 12 ASN O 1 1 24 7906 1 1 12 ASN OD1 O 6.022 3.593 0.736 1.00 . A A . 12 ASN OD1 1 1 24 7907 1 1 13 LYS C C 3.411 -1.388 -1.243 1.00 . A A . 13 LYS C 1 1 24 7908 1 1 13 LYS CA C 2.640 -0.059 -1.518 1.00 . A A . 13 LYS CA 1 1 24 7909 1 1 13 LYS CB C 3.153 0.730 -2.763 1.00 . A A . 13 LYS CB 1 1 24 7910 1 1 13 LYS CD C 0.830 1.405 -3.812 1.00 . A A . 13 LYS CD 1 1 24 7911 1 1 13 LYS CE C 0.835 0.443 -5.015 1.00 . A A . 13 LYS CE 1 1 24 7912 1 1 13 LYS CG C 2.230 1.842 -3.322 1.00 . A A . 13 LYS CG 1 1 24 7913 1 1 13 LYS H H 1.532 1.039 0.031 1.00 . A A . 13 LYS H 1 1 24 7914 1 1 13 LYS HA H 1.636 -0.411 -1.763 1.00 . A A . 13 LYS HA 1 1 24 7915 1 1 13 LYS HB2 H 4.140 1.174 -2.533 1.00 . A A . 13 LYS HB2 1 1 24 7916 1 1 13 LYS HB3 H 3.356 0.021 -3.587 1.00 . A A . 13 LYS HB3 1 1 24 7917 1 1 13 LYS HD2 H 0.265 0.965 -2.968 1.00 . A A . 13 LYS HD2 1 1 24 7918 1 1 13 LYS HD3 H 0.270 2.318 -4.086 1.00 . A A . 13 LYS HD3 1 1 24 7919 1 1 13 LYS HE2 H 1.398 0.882 -5.859 1.00 . A A . 13 LYS HE2 1 1 24 7920 1 1 13 LYS HE3 H 1.348 -0.502 -4.757 1.00 . A A . 13 LYS HE3 1 1 24 7921 1 1 13 LYS HG2 H 2.107 2.621 -2.547 1.00 . A A . 13 LYS HG2 1 1 24 7922 1 1 13 LYS HG3 H 2.754 2.355 -4.149 1.00 . A A . 13 LYS HG3 1 1 24 7923 1 1 13 LYS HZ1 H -0.512 -0.500 -6.251 1.00 . A A . 13 LYS HZ1 1 1 24 7924 1 1 13 LYS HZ2 H -1.028 0.996 -5.711 1.00 . A A . 13 LYS HZ2 1 1 24 7925 1 1 13 LYS HZ3 H -1.071 -0.280 -4.691 1.00 . A A . 13 LYS HZ3 1 1 24 7926 1 1 13 LYS N N 2.470 0.820 -0.320 1.00 . A A . 13 LYS N 1 1 24 7927 1 1 13 LYS NZ N -0.534 0.131 -5.462 1.00 . A A . 13 LYS NZ 1 1 24 7928 1 1 13 LYS O O 4.314 -1.760 -1.997 1.00 . A A . 13 LYS O 1 1 24 7929 1 1 14 HIS C C 5.173 -3.243 0.422 1.00 . A A . 14 HIS C 1 1 24 7930 1 1 14 HIS CA C 3.632 -3.423 0.255 1.00 . A A . 14 HIS CA 1 1 24 7931 1 1 14 HIS CB C 3.218 -4.625 -0.647 1.00 . A A . 14 HIS CB 1 1 24 7932 1 1 14 HIS CD2 C 1.073 -5.700 0.381 1.00 . A A . 14 HIS CD2 1 1 24 7933 1 1 14 HIS CE1 C -0.306 -5.190 -1.122 1.00 . A A . 14 HIS CE1 1 1 24 7934 1 1 14 HIS CG C 1.726 -4.971 -0.632 1.00 . A A . 14 HIS CG 1 1 24 7935 1 1 14 HIS H H 2.256 -1.681 0.369 1.00 . A A . 14 HIS H 1 1 24 7936 1 1 14 HIS HA H 3.239 -3.638 1.260 1.00 . A A . 14 HIS HA 1 1 24 7937 1 1 14 HIS HB2 H 3.553 -4.448 -1.688 1.00 . A A . 14 HIS HB2 1 1 24 7938 1 1 14 HIS HB3 H 3.780 -5.524 -0.328 1.00 . A A . 14 HIS HB3 1 1 24 7939 1 1 14 HIS HD2 H 1.545 -6.091 1.271 1.00 . A A . 14 HIS HD2 1 1 24 7940 1 1 14 HIS HE1 H -1.239 -5.111 -1.660 1.00 . A A . 14 HIS HE1 1 1 24 7941 1 1 14 HIS HE2 H -1.012 -6.325 0.595 1.00 . A A . 14 HIS HE2 1 1 24 7942 1 1 14 HIS N N 3.006 -2.125 -0.173 1.00 . A A . 14 HIS N 1 1 24 7943 1 1 14 HIS ND1 N 0.833 -4.623 -1.641 1.00 . A A . 14 HIS ND1 1 1 24 7944 1 1 14 HIS NE2 N -0.264 -5.851 0.075 1.00 . A A . 14 HIS NE2 1 1 24 7945 1 1 14 HIS O O 5.972 -3.840 -0.310 1.00 . A A . 14 HIS O 1 1 24 7946 1 1 15 LEU C C 7.684 -1.391 0.437 1.00 . A A . 15 LEU C 1 1 24 7947 1 1 15 LEU CA C 6.987 -2.049 1.691 1.00 . A A . 15 LEU CA 1 1 24 7948 1 1 15 LEU CB C 7.808 -3.236 2.293 1.00 . A A . 15 LEU CB 1 1 24 7949 1 1 15 LEU CD1 C 6.212 -4.994 3.347 1.00 . A A . 15 LEU CD1 1 1 24 7950 1 1 15 LEU CD2 C 8.549 -4.739 4.186 1.00 . A A . 15 LEU CD2 1 1 24 7951 1 1 15 LEU CG C 7.341 -3.950 3.604 1.00 . A A . 15 LEU CG 1 1 24 7952 1 1 15 LEU H H 4.818 -1.987 1.969 1.00 . A A . 15 LEU H 1 1 24 7953 1 1 15 LEU HA H 6.965 -1.236 2.435 1.00 . A A . 15 LEU HA 1 1 24 7954 1 1 15 LEU HB2 H 7.965 -3.995 1.500 1.00 . A A . 15 LEU HB2 1 1 24 7955 1 1 15 LEU HB3 H 8.822 -2.830 2.470 1.00 . A A . 15 LEU HB3 1 1 24 7956 1 1 15 LEU HD11 H 5.257 -4.543 3.023 1.00 . A A . 15 LEU HD11 1 1 24 7957 1 1 15 LEU HD12 H 5.967 -5.595 4.245 1.00 . A A . 15 LEU HD12 1 1 24 7958 1 1 15 LEU HD13 H 6.480 -5.730 2.560 1.00 . A A . 15 LEU HD13 1 1 24 7959 1 1 15 LEU HD21 H 9.413 -4.088 4.420 1.00 . A A . 15 LEU HD21 1 1 24 7960 1 1 15 LEU HD22 H 8.303 -5.280 5.119 1.00 . A A . 15 LEU HD22 1 1 24 7961 1 1 15 LEU HD23 H 8.934 -5.507 3.480 1.00 . A A . 15 LEU HD23 1 1 24 7962 1 1 15 LEU HG H 7.004 -3.170 4.351 1.00 . A A . 15 LEU HG 1 1 24 7963 1 1 15 LEU N N 5.567 -2.380 1.393 1.00 . A A . 15 LEU N 1 1 24 7964 1 1 15 LEU O O 8.862 -1.648 0.182 1.00 . A A . 15 LEU O 1 1 24 7965 1 1 16 ASN C C 8.116 -0.864 -2.562 1.00 . A A . 16 ASN C 1 1 24 7966 1 1 16 ASN CA C 7.475 0.158 -1.564 1.00 . A A . 16 ASN CA 1 1 24 7967 1 1 16 ASN CB C 8.287 1.389 -1.140 1.00 . A A . 16 ASN CB 1 1 24 7968 1 1 16 ASN CG C 8.669 2.369 -2.253 1.00 . A A . 16 ASN CG 1 1 24 7969 1 1 16 ASN H H 5.988 -0.350 -0.053 1.00 . A A . 16 ASN H 1 1 24 7970 1 1 16 ASN HA H 6.611 0.614 -2.061 1.00 . A A . 16 ASN HA 1 1 24 7971 1 1 16 ASN HB2 H 7.731 1.903 -0.328 1.00 . A A . 16 ASN HB2 1 1 24 7972 1 1 16 ASN HB3 H 9.188 1.076 -0.650 1.00 . A A . 16 ASN HB3 1 1 24 7973 1 1 16 ASN HD21 H 8.156 4.233 -2.841 1.00 . A A . 16 ASN HD21 1 1 24 7974 1 1 16 ASN HD22 H 7.296 3.340 -1.448 1.00 . A A . 16 ASN HD22 1 1 24 7975 1 1 16 ASN N N 6.963 -0.529 -0.342 1.00 . A A . 16 ASN N 1 1 24 7976 1 1 16 ASN ND2 N 7.890 3.416 -2.281 1.00 . A A . 16 ASN ND2 1 1 24 7977 1 1 16 ASN O O 9.299 -0.774 -2.898 1.00 . A A . 16 ASN O 1 1 24 7978 1 1 16 ASN OD1 O 9.619 2.212 -3.019 1.00 . A A . 16 ASN OD1 1 1 24 7979 1 1 17 GLU C C 8.916 -3.778 -3.379 1.00 . A A . 17 GLU C 1 1 24 7980 1 1 17 GLU CA C 7.686 -2.959 -3.881 1.00 . A A . 17 GLU CA 1 1 24 7981 1 1 17 GLU CB C 7.686 -2.485 -5.337 1.00 . A A . 17 GLU CB 1 1 24 7982 1 1 17 GLU CD C 6.314 -1.506 -7.280 1.00 . A A . 17 GLU CD 1 1 24 7983 1 1 17 GLU CG C 6.330 -1.921 -5.809 1.00 . A A . 17 GLU CG 1 1 24 7984 1 1 17 GLU H H 6.301 -1.695 -2.979 1.00 . A A . 17 GLU H 1 1 24 7985 1 1 17 GLU HA H 6.825 -3.629 -3.885 1.00 . A A . 17 GLU HA 1 1 24 7986 1 1 17 GLU HB2 H 8.501 -1.771 -5.484 1.00 . A A . 17 GLU HB2 1 1 24 7987 1 1 17 GLU HB3 H 7.908 -3.366 -5.935 1.00 . A A . 17 GLU HB3 1 1 24 7988 1 1 17 GLU HE2 H 6.745 0.039 -8.384 1.00 . A A . 17 GLU HE2 1 1 24 7989 1 1 17 GLU HG2 H 5.534 -2.659 -5.606 1.00 . A A . 17 GLU HG2 1 1 24 7990 1 1 17 GLU HG3 H 6.059 -1.076 -5.161 1.00 . A A . 17 GLU HG3 1 1 24 7991 1 1 17 GLU N N 7.307 -1.875 -2.963 1.00 . A A . 17 GLU N 1 1 24 7992 1 1 17 GLU O O 9.991 -3.739 -3.987 1.00 . A A . 17 GLU O 1 1 24 7993 1 1 17 GLU OE1 O 5.946 -2.247 -8.190 1.00 . A A . 17 GLU OE1 1 1 24 7994 1 1 17 GLU OE2 O 6.755 -0.220 -7.460 1.00 . A A . 17 GLU OE2 1 1 24 7995 1 1 18 HIS C C 10.975 -4.510 -1.052 1.00 . A A . 18 HIS C 1 1 24 7996 1 1 18 HIS CA C 9.750 -5.331 -1.564 1.00 . A A . 18 HIS CA 1 1 24 7997 1 1 18 HIS CB C 10.063 -6.562 -2.443 1.00 . A A . 18 HIS CB 1 1 24 7998 1 1 18 HIS CD2 C 11.179 -8.864 -2.428 1.00 . A A . 18 HIS CD2 1 1 24 7999 1 1 18 HIS CE1 C 11.730 -9.006 -0.404 1.00 . A A . 18 HIS CE1 1 1 24 8000 1 1 18 HIS CG C 10.806 -7.697 -1.755 1.00 . A A . 18 HIS CG 1 1 24 8001 1 1 18 HIS H H 7.764 -4.569 -1.923 1.00 . A A . 18 HIS H 1 1 24 8002 1 1 18 HIS HA H 9.233 -5.757 -0.683 1.00 . A A . 18 HIS HA 1 1 24 8003 1 1 18 HIS HB2 H 9.107 -6.976 -2.816 1.00 . A A . 18 HIS HB2 1 1 24 8004 1 1 18 HIS HB3 H 10.600 -6.245 -3.351 1.00 . A A . 18 HIS HB3 1 1 24 8005 1 1 18 HIS HD2 H 10.970 -9.045 -3.470 1.00 . A A . 18 HIS HD2 1 1 24 8006 1 1 18 HIS HE1 H 12.127 -9.411 0.515 1.00 . A A . 18 HIS HE1 1 1 24 8007 1 1 18 HIS HE2 H 12.171 -10.684 -1.724 1.00 . A A . 18 HIS HE2 1 1 24 8008 1 1 18 HIS N N 8.732 -4.483 -2.232 1.00 . A A . 18 HIS N 1 1 24 8009 1 1 18 HIS ND1 N 11.145 -7.763 -0.410 1.00 . A A . 18 HIS ND1 1 1 24 8010 1 1 18 HIS NE2 N 11.798 -9.742 -1.560 1.00 . A A . 18 HIS NE2 1 1 24 8011 1 1 18 HIS O O 11.886 -4.185 -1.818 1.00 . A A . 18 HIS O 1 1 24 8012 1 1 19 ALA C C 12.012 -1.947 0.684 1.00 . A A . 19 ALA C 1 1 24 8013 1 1 19 ALA CA C 12.035 -3.471 0.991 1.00 . A A . 19 ALA CA 1 1 24 8014 1 1 19 ALA CB C 13.452 -4.074 0.844 1.00 . A A . 19 ALA CB 1 1 24 8015 1 1 19 ALA H H 10.094 -4.489 0.736 1.00 . A A . 19 ALA H 1 1 24 8016 1 1 19 ALA HA H 11.787 -3.615 2.062 1.00 . A A . 19 ALA HA 1 1 24 8017 1 1 19 ALA HB1 H 13.464 -5.152 1.090 1.00 . A A . 19 ALA HB1 1 1 24 8018 1 1 19 ALA HB2 H 14.170 -3.585 1.527 1.00 . A A . 19 ALA HB2 1 1 24 8019 1 1 19 ALA HB3 H 13.857 -3.966 -0.179 1.00 . A A . 19 ALA HB3 1 1 24 8020 1 1 19 ALA N N 10.962 -4.209 0.264 1.00 . A A . 19 ALA N 1 1 24 8021 1 1 19 ALA O O 12.391 -1.517 -0.410 1.00 . A A . 19 ALA O 1 1 24 8022 1 1 20 HIS C C 12.874 0.988 1.826 1.00 . A A . 20 HIS C 1 1 24 8023 1 1 20 HIS CA C 11.488 0.333 1.561 1.00 . A A . 20 HIS CA 1 1 24 8024 1 1 20 HIS CB C 10.384 0.832 2.530 1.00 . A A . 20 HIS CB 1 1 24 8025 1 1 20 HIS CD2 C 8.928 2.871 3.084 1.00 . A A . 20 HIS CD2 1 1 24 8026 1 1 20 HIS CE1 C 9.461 4.156 1.509 1.00 . A A . 20 HIS CE1 1 1 24 8027 1 1 20 HIS CG C 9.901 2.256 2.286 1.00 . A A . 20 HIS CG 1 1 24 8028 1 1 20 HIS H H 11.154 -1.626 2.469 1.00 . A A . 20 HIS H 1 1 24 8029 1 1 20 HIS HXT H 12.979 1.618 -0.018 1.00 . A A . 20 HIS HXT 1 1 24 8030 1 1 20 HIS HA H 11.126 0.558 0.545 1.00 . A A . 20 HIS HA 1 1 24 8031 1 1 20 HIS HB2 H 9.486 0.188 2.463 1.00 . A A . 20 HIS HB2 1 1 24 8032 1 1 20 HIS HB3 H 10.716 0.736 3.582 1.00 . A A . 20 HIS HB3 1 1 24 8033 1 1 20 HIS HD2 H 8.458 2.396 3.930 1.00 . A A . 20 HIS HD2 1 1 24 8034 1 1 20 HIS HE1 H 9.467 5.018 0.859 1.00 . A A . 20 HIS HE1 1 1 24 8035 1 1 20 HIS HE2 H 7.948 4.819 2.926 1.00 . A A . 20 HIS HE2 1 1 24 8036 1 1 20 HIS N N 11.578 -1.144 1.676 1.00 . A A . 20 HIS N 1 1 24 8037 1 1 20 HIS ND1 N 10.276 3.082 1.232 1.00 . A A . 20 HIS ND1 1 1 24 8038 1 1 20 HIS NE2 N 8.633 4.129 2.600 1.00 . A A . 20 HIS NE2 1 1 24 8039 1 1 20 HIS O O 13.421 0.937 2.929 1.00 . A A . 20 HIS O 1 1 24 8040 1 1 20 HIS OXT O 13.522 1.661 0.772 1.00 . A A . 20 HIS OXT 1 1 stop_ save_
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