NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
587323 | 2muj | 25215 | cing | 4-filtered-FRED | STAR | entry | full | 186 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2muj # This FRED archive file contains, for PDB entry <2muj>: # # - 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_2muj _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2muj _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2510.82 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 $Serine_repeat_antigen_protein A . 1 1 stop_ save_ save_Serine_repeat_antigen_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Serine repeat antigen protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code YDNILVKMFKTNENNDKSELI _Entity.Number_of_monomers 21 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 TYR . 1 1 2 ASP . 1 1 3 ASN . 1 1 4 ILE . 1 1 5 LEU . 1 1 6 VAL . 1 1 7 LYS . 1 1 8 MET . 1 1 9 PHE . 1 1 10 LYS . 1 1 11 THR . 1 1 12 ASN . 1 1 13 GLU . 1 1 14 ASN . 1 1 15 ASN . 1 1 16 ASP . 1 1 17 LYS . 1 1 18 SER . 1 1 19 GLU . 1 1 20 LEU . 1 1 21 ILE . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID TYR 1 1 1 1 ASP 2 2 1 1 ASN 3 3 1 1 ILE 4 4 1 1 LEU 5 5 1 1 VAL 6 6 1 1 LYS 7 7 1 1 MET 8 8 1 1 PHE 9 9 1 1 LYS 10 10 1 1 THR 11 11 1 1 ASN 12 12 1 1 GLU 13 13 1 1 ASN 14 14 1 1 ASN 15 15 1 1 ASP 16 16 1 1 LYS 17 17 1 1 SER 18 18 1 1 GLU 19 19 1 1 LEU 20 20 1 1 ILE 21 21 1 1 stop_ save_ save_Discover_distance_constraints_5_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 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 2 ASP H 1 2 ASP HN 1 1 1 1 2 1 1 2 ASP HA 1 2 ASP HA 1 1 2 1 1 1 1 3 ASN H 1 3 ASN HN 1 1 2 1 2 1 1 3 ASN HA 1 3 ASN HA 1 1 3 1 1 1 1 16 ASP H 1 16 ASP HN 1 1 3 1 2 1 1 16 ASP HA 1 16 ASP HA 1 1 4 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 4 1 2 1 1 12 ASN HA 1 12 ASN HA 1 1 5 1 1 1 1 15 ASN H 1 15 ASN HN 1 1 5 1 2 1 1 15 ASN HA 1 15 ASN HA 1 1 6 1 1 1 1 14 ASN H 1 14 ASN HN 1 1 6 1 2 1 1 14 ASN HA 1 14 ASN HA 1 1 7 1 1 1 1 10 LYS H 1 10 LYS HN 1 1 7 1 2 1 1 10 LYS HA 1 10 LYS HA 1 1 8 1 1 1 1 8 MET H 1 8 MET HN 1 1 8 1 2 1 1 8 MET HA 1 8 MET HA 1 1 9 1 1 1 1 9 PHE H 1 9 PHE HN 1 1 9 1 2 1 1 9 PHE HA 1 9 PHE HA 1 1 10 1 1 1 1 13 GLU H 1 13 GLU HN 1 1 10 1 2 1 1 13 GLU HA 1 13 GLU HA 1 1 11 1 1 1 1 11 THR H 1 11 THR HN 1 1 11 1 2 1 1 11 THR HA 1 11 THR HA 1 1 12 1 1 1 1 17 LYS H 1 17 LYS HN 1 1 12 1 2 1 1 17 LYS HA 1 17 LYS HA 1 1 13 1 1 1 1 18 SER H 1 18 SER HN 1 1 13 1 2 1 1 18 SER HA 1 18 SER HA 1 1 14 1 1 1 1 19 GLU H 1 19 GLU HN 1 1 14 1 2 1 1 19 GLU HA 1 19 GLU HA 1 1 15 1 1 1 1 11 THR H 1 11 THR HN 1 1 15 1 2 1 1 11 THR HB 1 11 THR HB 1 1 16 1 1 1 1 20 LEU H 1 20 LEU HN 1 1 16 1 2 1 1 20 LEU HA 1 20 LEU HA 1 1 17 1 1 1 1 6 VAL H 1 6 VAL HN 1 1 17 1 2 1 1 6 VAL HA 1 6 VAL HA 1 1 18 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 18 1 2 1 1 7 LYS HA 1 7 LYS HA 1 1 19 1 1 1 1 21 ILE H 1 21 ILE HN 1 1 19 1 2 1 1 21 ILE HA 1 21 ILE HA 1 1 20 1 1 1 1 5 LEU H 1 5 LEU HN 1 1 20 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1 21 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 21 1 2 1 1 3 ASN H 1 3 ASN HN 1 1 22 1 1 1 1 15 ASN HA 1 15 ASN HA 1 1 22 1 2 1 1 18 SER H 1 18 SER HN 1 1 23 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 23 1 2 1 1 10 LYS H 1 10 LYS HN 1 1 24 1 1 1 1 1 TYR HA 1 1 TYR HA 1 1 24 1 2 1 1 2 ASP H 1 2 ASP HN 1 1 25 1 1 1 1 8 MET HA 1 8 MET HA 1 1 25 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 26 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 26 1 2 1 1 10 LYS H 1 10 LYS HN 1 1 27 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 27 1 2 1 1 8 MET H 1 8 MET HN 1 1 28 1 1 1 1 17 LYS HA 1 17 LYS HA 1 1 28 1 2 1 1 18 SER H 1 18 SER HN 1 1 29 1 1 1 1 20 LEU HA 1 20 LEU HA 1 1 29 1 2 1 1 21 ILE H 1 21 ILE HN 1 1 30 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 30 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 31 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 31 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 32 1 1 1 1 4 ILE H 1 4 ILE HN 1 1 32 1 2 1 1 4 ILE HA 1 4 ILE HA 1 1 33 1 1 1 1 18 SER H 1 18 SER HN 1 1 33 1 2 1 1 18 SER HB3 1 18 SER HBR 1 1 34 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 34 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 35 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 35 1 2 1 1 5 LEU H 1 5 LEU HN 1 1 36 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 36 1 2 1 1 6 VAL H 1 6 VAL HN 1 1 37 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1 37 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 38 1 1 1 1 4 ILE H 1 4 ILE HN 1 1 38 1 2 1 1 4 ILE MG 1 4 ILE HG2* 1 1 39 1 1 1 1 11 THR H 1 11 THR HN 1 1 39 1 2 1 1 11 THR MG 1 11 THR HG2* 1 1 40 1 1 1 1 6 VAL MG1 1 6 VAL HGS* 1 1 40 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 41 1 1 1 1 6 VAL MG2 1 6 VAL HGR* 1 1 41 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 42 1 1 1 1 6 VAL H 1 6 VAL HN 1 1 42 1 2 1 1 6 VAL MG1 1 6 VAL HGS* 1 1 43 1 1 1 1 4 ILE MG 1 4 ILE HG2* 1 1 43 1 2 1 1 5 LEU H 1 5 LEU HN 1 1 44 1 1 1 1 21 ILE H 1 21 ILE HN 1 1 44 1 2 1 1 21 ILE MG 1 21 ILE HG2* 1 1 45 1 1 1 1 6 VAL H 1 6 VAL HN 1 1 45 1 2 1 1 6 VAL HB 1 6 VAL HB 1 1 46 1 1 1 1 21 ILE H 1 21 ILE HN 1 1 46 1 2 1 1 21 ILE HB 1 21 ILE HB 1 1 47 1 1 1 1 6 VAL HB 1 6 VAL HB 1 1 47 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 48 1 1 1 1 10 LYS H 1 10 LYS HN 1 1 48 1 2 1 1 10 LYS QD 1 10 LYS HD* 1 1 49 1 1 1 1 10 LYS H 1 10 LYS HN 1 1 49 1 2 1 1 10 LYS HB3 1 10 LYS HBS 1 1 50 1 1 1 1 10 LYS H 1 10 LYS HN 1 1 50 1 2 1 1 10 LYS HB2 1 10 LYS HBR 1 1 51 1 1 1 1 8 MET H 1 8 MET HN 1 1 51 1 2 1 1 8 MET HB2 1 8 MET HBS 1 1 52 1 1 1 1 8 MET H 1 8 MET HN 1 1 52 1 2 1 1 8 MET HB3 1 8 MET HBR 1 1 53 1 1 1 1 7 LYS QB 1 7 LYS HB* 1 1 53 1 2 1 1 8 MET H 1 8 MET HN 1 1 54 1 1 1 1 8 MET HB2 1 8 MET HBS 1 1 54 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 55 1 1 1 1 8 MET HB3 1 8 MET HBR 1 1 55 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 56 1 1 1 1 13 GLU H 1 13 GLU HN 1 1 56 1 2 1 1 13 GLU HB2 1 13 GLU HBR 1 1 57 1 1 1 1 13 GLU H 1 13 GLU HN 1 1 57 1 2 1 1 13 GLU HB3 1 13 GLU HBS 1 1 58 1 1 1 1 17 LYS H 1 17 LYS HN 1 1 58 1 2 1 1 17 LYS HB2 1 17 LYS HBR 1 1 59 1 1 1 1 17 LYS H 1 17 LYS HN 1 1 59 1 2 1 1 17 LYS HB3 1 17 LYS HBS 1 1 60 1 1 1 1 4 ILE H 1 4 ILE HN 1 1 60 1 2 1 1 4 ILE HB 1 4 ILE HB 1 1 61 1 1 1 1 19 GLU H 1 19 GLU HN 1 1 61 1 2 1 1 19 GLU HB3 1 19 GLU HBS 1 1 62 1 1 1 1 19 GLU H 1 19 GLU HN 1 1 62 1 2 1 1 19 GLU HB2 1 19 GLU HBR 1 1 63 1 1 1 1 20 LEU H 1 20 LEU HN 1 1 63 1 2 1 1 20 LEU HB3 1 20 LEU HBS 1 1 64 1 1 1 1 20 LEU H 1 20 LEU HN 1 1 64 1 2 1 1 20 LEU HB2 1 20 LEU HBR 1 1 65 1 1 1 1 8 MET H 1 8 MET HN 1 1 65 1 2 1 1 8 MET HG3 1 8 MET HGR 1 1 66 1 1 1 1 8 MET H 1 8 MET HN 1 1 66 1 2 1 1 8 MET HG2 1 8 MET HGS 1 1 67 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 67 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1 68 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 68 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1 69 1 1 1 1 3 ASN H 1 3 ASN HN 1 1 69 1 2 1 1 3 ASN QB 1 3 ASN HB* 1 1 70 1 1 1 1 16 ASP H 1 16 ASP HN 1 1 70 1 2 1 1 16 ASP QB 1 16 ASP HB* 1 1 71 1 1 1 1 12 ASN H 1 12 ASN HN 1 1 71 1 2 1 1 12 ASN QB 1 12 ASN HB* 1 1 72 1 1 1 1 15 ASN H 1 15 ASN HN 1 1 72 1 2 1 1 15 ASN QB 1 15 ASN HB* 1 1 73 1 1 1 1 16 ASP QB 1 16 ASP HB* 1 1 73 1 2 1 1 17 LYS H 1 17 LYS HN 1 1 74 1 1 1 1 14 ASN H 1 14 ASN HN 1 1 74 1 2 1 1 14 ASN QB 1 14 ASN HB* 1 1 75 1 1 1 1 12 ASN QB 1 12 ASN HB* 1 1 75 1 2 1 1 12 ASN HD22 1 12 ASN HD21 1 1 76 1 1 1 1 15 ASN QB 1 15 ASN HB* 1 1 76 1 2 1 1 15 ASN HD22 1 15 ASN HD21 1 1 77 1 1 1 1 3 ASN QB 1 3 ASN HB* 1 1 77 1 2 1 1 3 ASN HD22 1 3 ASN HD21 1 1 78 1 1 1 1 14 ASN QB 1 14 ASN HB* 1 1 78 1 2 1 1 14 ASN HD22 1 14 ASN HD21 1 1 79 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 79 1 2 1 1 11 THR H 1 11 THR HN 1 1 80 1 1 1 1 11 THR HA 1 11 THR HA 1 1 80 1 2 1 1 11 THR HB 1 11 THR HB 1 1 81 1 1 1 1 18 SER HA 1 18 SER HA 1 1 81 1 2 1 1 18 SER HB2 1 18 SER HBS 1 1 82 1 1 1 1 18 SER HA 1 18 SER HA 1 1 82 1 2 1 1 18 SER HB3 1 18 SER HBR 1 1 83 1 1 1 1 18 SER H 1 18 SER HN 1 1 83 1 2 1 1 18 SER HB2 1 18 SER HBS 1 1 84 1 1 1 1 13 GLU H 1 13 GLU HN 1 1 84 1 2 1 1 13 GLU QG 1 13 GLU HG* 1 1 85 1 1 1 1 19 GLU H 1 19 GLU HN 1 1 85 1 2 1 1 19 GLU QG 1 19 GLU HG* 1 1 86 1 1 1 1 1 TYR HA 1 1 TYR HA 1 1 86 1 2 1 1 1 TYR HB2 1 1 TYR HBR 1 1 87 1 1 1 1 13 GLU HA 1 13 GLU HA 1 1 87 1 2 1 1 16 ASP QB 1 16 ASP HB* 1 1 88 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 88 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1 89 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1 89 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1 90 1 1 1 1 8 MET HA 1 8 MET HA 1 1 90 1 2 1 1 12 ASN QB 1 12 ASN HB* 1 1 91 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1 91 1 2 1 1 12 ASN QB 1 12 ASN HB* 1 1 92 1 1 1 1 8 MET HA 1 8 MET HA 1 1 92 1 2 1 1 8 MET HG2 1 8 MET HGS 1 1 93 1 1 1 1 8 MET HA 1 8 MET HA 1 1 93 1 2 1 1 8 MET HG3 1 8 MET HGR 1 1 94 1 1 1 1 8 MET HA 1 8 MET HA 1 1 94 1 2 1 1 8 MET HB2 1 8 MET HBS 1 1 95 1 1 1 1 8 MET HA 1 8 MET HA 1 1 95 1 2 1 1 8 MET HB3 1 8 MET HBR 1 1 96 1 1 1 1 19 GLU HA 1 19 GLU HA 1 1 96 1 2 1 1 19 GLU QG 1 19 GLU HG* 1 1 97 1 1 1 1 19 GLU HA 1 19 GLU HA 1 1 97 1 2 1 1 19 GLU HB2 1 19 GLU HBR 1 1 98 1 1 1 1 19 GLU HA 1 19 GLU HA 1 1 98 1 2 1 1 19 GLU HB3 1 19 GLU HBS 1 1 99 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 99 1 2 1 1 6 VAL HB 1 6 VAL HB 1 1 100 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 100 1 2 1 1 4 ILE HB 1 4 ILE HB 1 1 101 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 101 1 2 1 1 10 LYS HB3 1 10 LYS HBS 1 1 102 1 1 1 1 17 LYS HA 1 17 LYS HA 1 1 102 1 2 1 1 17 LYS HB2 1 17 LYS HBR 1 1 103 1 1 1 1 17 LYS HA 1 17 LYS HA 1 1 103 1 2 1 1 17 LYS HB3 1 17 LYS HBS 1 1 104 1 1 1 1 20 LEU HA 1 20 LEU HA 1 1 104 1 2 1 1 20 LEU HB2 1 20 LEU HBR 1 1 105 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 105 1 2 1 1 10 LYS HG2 1 10 LYS HGR 1 1 106 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 106 1 2 1 1 10 LYS HG3 1 10 LYS HGS 1 1 107 1 1 1 1 11 THR HA 1 11 THR HA 1 1 107 1 2 1 1 11 THR MG 1 11 THR HG2* 1 1 108 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 108 1 2 1 1 6 VAL MG2 1 6 VAL HGR* 1 1 109 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 109 1 2 1 1 6 VAL MG1 1 6 VAL HGS* 1 1 110 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 110 1 2 1 1 4 ILE MG 1 4 ILE HG2* 1 1 111 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1 111 1 2 1 1 6 VAL H 1 6 VAL HN 1 1 112 1 1 1 1 6 VAL H 1 6 VAL HN 1 1 112 1 2 1 1 7 LYS H 1 7 LYS HN 1 1 113 1 1 1 1 20 LEU H 1 20 LEU HN 1 1 113 1 2 1 1 21 ILE H 1 21 ILE HN 1 1 114 1 1 1 1 4 ILE H 1 4 ILE HN 1 1 114 1 2 1 1 5 LEU H 1 5 LEU HN 1 1 115 1 1 1 1 19 GLU H 1 19 GLU HN 1 1 115 1 2 1 1 20 LEU H 1 20 LEU HN 1 1 116 1 1 1 1 7 LYS H 1 7 LYS HN 1 1 116 1 2 1 1 8 MET H 1 8 MET HN 1 1 117 1 1 1 1 18 SER H 1 18 SER HN 1 1 117 1 2 1 1 19 GLU H 1 19 GLU HN 1 1 118 1 1 1 1 16 ASP H 1 16 ASP HN 1 1 118 1 2 1 1 17 LYS H 1 17 LYS HN 1 1 119 1 1 1 1 3 ASN H 1 3 ASN HN 1 1 119 1 2 1 1 4 ILE H 1 4 ILE HN 1 1 120 1 1 1 1 8 MET H 1 8 MET HN 1 1 120 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 121 1 1 1 1 10 LYS H 1 10 LYS HN 1 1 121 1 2 1 1 11 THR H 1 11 THR HN 1 1 122 1 1 1 1 2 ASP H 1 2 ASP HN 1 1 122 1 2 1 1 3 ASN H 1 3 ASN HN 1 1 123 1 1 1 1 15 ASN HA 1 15 ASN HA 1 1 123 1 2 1 1 16 ASP H 1 16 ASP HN 1 1 124 1 1 1 1 14 ASN HA 1 14 ASN HA 1 1 124 1 2 1 1 15 ASN H 1 15 ASN HN 1 1 125 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 125 1 2 1 1 15 ASN H 1 15 ASN HN 1 1 126 1 1 1 1 15 ASN HA 1 15 ASN HA 1 1 126 1 2 1 1 17 LYS H 1 17 LYS HN 1 1 127 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1 127 1 2 1 1 14 ASN H 1 14 ASN HN 1 1 128 1 1 1 1 16 ASP HA 1 16 ASP HA 1 1 128 1 2 1 1 17 LYS H 1 17 LYS HN 1 1 129 1 1 1 1 16 ASP HA 1 16 ASP HA 1 1 129 1 2 1 1 18 SER H 1 18 SER HN 1 1 130 1 1 1 1 15 ASN HA 1 15 ASN HA 1 1 130 1 2 1 1 19 GLU H 1 19 GLU HN 1 1 131 1 1 1 1 3 ASN HA 1 3 ASN HA 1 1 131 1 2 1 1 4 ILE H 1 4 ILE HN 1 1 132 1 1 1 1 16 ASP HA 1 16 ASP HA 1 1 132 1 2 1 1 20 LEU H 1 20 LEU HN 1 1 133 1 1 1 1 8 MET HA 1 8 MET HA 1 1 133 1 2 1 1 10 LYS H 1 10 LYS HN 1 1 134 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1 134 1 2 1 1 9 PHE H 1 9 PHE HN 1 1 135 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1 135 1 2 1 1 8 MET H 1 8 MET HN 1 1 136 1 1 1 1 13 GLU HA 1 13 GLU HA 1 1 136 1 2 1 1 16 ASP H 1 16 ASP HN 1 1 137 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 137 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 138 1 1 1 1 11 THR HA 1 11 THR HA 1 1 138 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 139 1 1 1 1 8 MET HA 1 8 MET HA 1 1 139 1 2 1 1 12 ASN H 1 12 ASN HN 1 1 140 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 140 1 2 1 1 13 GLU H 1 13 GLU HN 1 1 141 1 1 1 1 11 THR HA 1 11 THR HA 1 1 141 1 2 1 1 15 ASN H 1 15 ASN HN 1 1 142 1 1 1 1 11 THR HA 1 11 THR HA 1 1 142 1 2 1 1 14 ASN H 1 14 ASN HN 1 1 143 1 1 1 1 13 GLU HA 1 13 GLU HA 1 1 143 1 2 1 1 14 ASN H 1 14 ASN HN 1 1 144 1 1 1 1 8 MET HA 1 8 MET HA 1 1 144 1 2 1 1 11 THR H 1 11 THR HN 1 1 145 1 1 1 1 18 SER HA 1 18 SER HA 1 1 145 1 2 1 1 19 GLU H 1 19 GLU HN 1 1 146 1 1 1 1 19 GLU HA 1 19 GLU HA 1 1 146 1 2 1 1 20 LEU H 1 20 LEU HN 1 1 147 1 1 1 1 6 VAL HA 1 6 VAL HA 1 1 147 1 2 1 1 10 LYS H 1 10 LYS HN 1 1 148 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 148 1 2 1 1 8 MET H 1 8 MET HN 1 1 149 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 149 1 2 1 1 11 THR H 1 11 THR HN 1 1 150 1 1 1 1 17 LYS H 1 17 LYS HN 1 1 150 1 2 1 1 17 LYS QD 1 17 LYS HD* 1 1 151 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1 151 1 2 1 1 10 LYS HB2 1 10 LYS HBR 1 1 152 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 152 1 2 1 1 7 LYS HG2 1 7 LYS HGR 1 1 153 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1 153 1 2 1 1 7 LYS HG3 1 7 LYS HGS 1 1 154 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 154 1 2 1 1 7 LYS HG2 1 7 LYS HGR 1 1 155 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1 155 1 2 1 1 7 LYS HG3 1 7 LYS HGS 1 1 156 1 1 1 1 17 LYS HA 1 17 LYS HA 1 1 156 1 2 1 1 17 LYS QG 1 17 LYS HG* 1 1 157 1 1 1 1 3 ASN H 1 3 ASN HN 1 1 157 1 2 1 1 5 LEU H 1 5 LEU HN 1 1 158 1 1 1 1 5 LEU H 1 5 LEU HN 1 1 158 1 2 1 1 8 MET H 1 8 MET HN 1 1 159 1 1 1 1 13 GLU H 1 13 GLU HN 1 1 159 1 2 1 1 14 ASN H 1 14 ASN HN 1 1 160 1 1 1 1 14 ASN H 1 14 ASN HN 1 1 160 1 2 1 1 15 ASN H 1 15 ASN HN 1 1 161 1 1 1 1 16 ASP H 1 16 ASP HN 1 1 161 1 2 1 1 18 SER H 1 18 SER HN 1 1 162 1 1 1 1 15 ASN H 1 15 ASN HN 1 1 162 1 2 1 1 16 ASP H 1 16 ASP HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.5 2.8 3.5 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 1.8 2.8 1 1 6 1 . . . . . 2.8 1.8 2.8 1 1 7 1 . . . . . 3.5 2.8 3.5 1 1 8 1 . . . . . 2.8 1.8 2.8 1 1 9 1 . . . . . 3.5 2.8 3.5 1 1 10 1 . . . . . 2.8 1.8 2.8 1 1 11 1 . . . . . 2.8 1.8 2.8 1 1 12 1 . . . . . 2.8 1.8 2.8 1 1 13 1 . . . . . 3.5 2.8 3.5 1 1 14 1 . . . . . 3.5 2.8 3.5 1 1 15 1 . . . . . 2.8 1.8 2.8 1 1 16 1 . . . . . 3.5 2.8 3.5 1 1 17 1 . . . . . 3.5 2.8 3.5 1 1 18 1 . . . . . 3.5 2.8 3.5 1 1 19 1 . . . . . 3.5 2.8 3.5 1 1 20 1 . . . . . 2.8 1.8 2.8 1 1 21 1 . . . . . 2.8 1.8 2.8 1 1 22 1 . . . . . 5.0 3.5 5.0 1 1 23 1 . . . . . 3.5 2.8 3.5 1 1 24 1 . . . . . 2.8 1.8 2.8 1 1 25 1 . . . . . 3.5 2.8 3.5 1 1 26 1 . . . . . 5.0 3.5 5.0 1 1 27 1 . . . . . 3.5 2.8 3.5 1 1 28 1 . . . . . 3.5 2.8 3.5 1 1 29 1 . . . . . 3.5 2.8 3.5 1 1 30 1 . . . . . 3.5 2.8 3.5 1 1 31 1 . . . . . 5.0 3.5 5.0 1 1 32 1 . . . . . 2.8 1.8 2.8 1 1 33 1 . . . . . 3.5 2.8 3.5 1 1 34 1 . . . . . 5.0 3.5 5.0 1 1 35 1 . . . . . 3.5 2.8 3.5 1 1 36 1 . . . . . 5.0 3.5 5.0 1 1 37 1 . . . . . 5.0 3.5 5.0 1 1 38 1 . . . . . 3.5 2.8 4.5 1 1 39 1 . . . . . 3.5 2.8 4.5 1 1 40 1 . . . . . 3.5 2.8 4.5 1 1 41 1 . . . . . 3.5 2.8 4.5 1 1 42 1 . . . . . 3.5 2.8 4.5 1 1 43 1 . . . . . 3.5 2.8 4.5 1 1 44 1 . . . . . 5.0 3.5 6.0 1 1 45 1 . . . . . 2.8 1.8 2.8 1 1 46 1 . . . . . 3.5 2.8 3.5 1 1 47 1 . . . . . 3.5 2.8 3.5 1 1 48 1 . . . . . 3.5 2.8 4.5 1 1 49 1 . . . . . 5.0 3.5 5.0 1 1 50 1 . . . . . 3.5 2.8 3.5 1 1 51 1 . . . . . 2.8 1.8 2.8 1 1 52 1 . . . . . 5.0 3.5 5.0 1 1 53 1 . . . . . 3.5 2.8 4.5 1 1 54 1 . . . . . 5.0 3.5 5.0 1 1 55 1 . . . . . 5.0 3.5 5.0 1 1 56 1 . . . . . 2.8 1.8 2.8 1 1 57 1 . . . . . 2.8 1.8 2.8 1 1 58 1 . . . . . 3.5 2.8 3.5 1 1 59 1 . . . . . 3.5 2.8 3.5 1 1 60 1 . . . . . 2.8 1.8 2.8 1 1 61 1 . . . . . 3.5 2.8 3.5 1 1 62 1 . . . . . 3.5 2.8 3.5 1 1 63 1 . . . . . 3.5 2.8 3.5 1 1 64 1 . . . . . 3.5 2.8 3.5 1 1 65 1 . . . . . 5.0 3.5 5.0 1 1 66 1 . . . . . 3.5 2.8 3.5 1 1 67 1 . . . . . 3.5 2.8 3.5 1 1 68 1 . . . . . 3.5 2.8 3.5 1 1 69 1 . . . . . 2.8 1.8 3.8 1 1 70 1 . . . . . 2.8 1.8 3.8 1 1 71 1 . . . . . 2.8 1.8 3.8 1 1 72 1 . . . . . 2.8 1.8 3.8 1 1 73 1 . . . . . 3.5 2.8 4.5 1 1 74 1 . . . . . 2.8 1.8 3.8 1 1 75 1 . . . . . 3.5 2.8 4.5 1 1 76 1 . . . . . 3.5 2.8 4.5 1 1 77 1 . . . . . 3.5 2.8 4.5 1 1 78 1 . . . . . 3.5 2.8 4.5 1 1 79 1 . . . . . 3.5 2.8 3.5 1 1 80 1 . . . . . 3.5 2.8 3.5 1 1 81 1 . . . . . 3.5 2.8 3.5 1 1 82 1 . . . . . 3.5 2.8 3.5 1 1 83 1 . . . . . 3.5 2.8 3.5 1 1 84 1 . . . . . 5.0 3.5 6.0 1 1 85 1 . . . . . 3.5 2.8 4.5 1 1 86 1 . . . . . 3.5 2.8 3.5 1 1 87 1 . . . . . 5.0 3.5 6.0 1 1 88 1 . . . . . 2.8 1.8 2.8 1 1 89 1 . . . . . 3.5 2.8 3.5 1 1 90 1 . . . . . 3.5 2.8 4.5 1 1 91 1 . . . . . 3.5 2.8 4.5 1 1 92 1 . . . . . 5.0 3.5 5.0 1 1 93 1 . . . . . 3.5 2.8 3.5 1 1 94 1 . . . . . 2.8 1.8 2.8 1 1 95 1 . . . . . 2.8 1.8 2.8 1 1 96 1 . . . . . 3.5 2.8 4.5 1 1 97 1 . . . . . 2.8 1.8 2.8 1 1 98 1 . . . . . 3.5 2.8 3.5 1 1 99 1 . . . . . 3.5 2.8 3.5 1 1 100 1 . . . . . 2.8 1.8 2.8 1 1 101 1 . . . . . 3.5 2.8 3.5 1 1 102 1 . . . . . 2.8 1.8 2.8 1 1 103 1 . . . . . 3.5 2.8 3.5 1 1 104 1 . . . . . 3.5 2.8 3.5 1 1 105 1 . . . . . 3.5 2.8 3.5 1 1 106 1 . . . . . 3.5 2.8 3.5 1 1 107 1 . . . . . 2.8 1.8 3.8 1 1 108 1 . . . . . 2.8 1.8 3.8 1 1 109 1 . . . . . 2.8 1.8 3.8 1 1 110 1 . . . . . 2.8 1.8 3.8 1 1 111 1 . . . . . 3.5 2.8 3.5 1 1 112 1 . . . . . 3.5 2.8 3.5 1 1 113 1 . . . . . 3.5 2.8 3.5 1 1 114 1 . . . . . 3.5 2.8 3.5 1 1 115 1 . . . . . 3.5 2.8 3.5 1 1 116 1 . . . . . 3.5 2.8 3.5 1 1 117 1 . . . . . 3.5 2.8 3.5 1 1 118 1 . . . . . 2.8 1.8 2.8 1 1 119 1 . . . . . 3.5 2.8 3.5 1 1 120 1 . . . . . 3.5 2.8 3.5 1 1 121 1 . . . . . 3.5 2.8 3.5 1 1 122 1 . . . . . 5.0 3.5 5.0 1 1 123 1 . . . . . 3.5 2.8 3.5 1 1 124 1 . . . . . 3.5 2.8 3.5 1 1 125 1 . . . . . 5.0 3.5 5.0 1 1 126 1 . . . . . 5.0 3.5 5.0 1 1 127 1 . . . . . 5.0 3.5 5.0 1 1 128 1 . . . . . 2.8 1.8 2.8 1 1 129 1 . . . . . 5.0 3.5 5.0 1 1 130 1 . . . . . 5.0 3.5 5.0 1 1 131 1 . . . . . 2.8 1.8 2.8 1 1 132 1 . . . . . 5.0 3.5 5.0 1 1 133 1 . . . . . 5.0 3.5 5.0 1 1 134 1 . . . . . 5.0 3.5 5.0 1 1 135 1 . . . . . 3.5 2.8 3.5 1 1 136 1 . . . . . 5.0 3.5 5.0 1 1 137 1 . . . . . 5.0 3.5 5.0 1 1 138 1 . . . . . 3.5 2.8 3.5 1 1 139 1 . . . . . 5.0 3.5 5.0 1 1 140 1 . . . . . 3.5 2.8 3.5 1 1 141 1 . . . . . 5.0 3.5 5.0 1 1 142 1 . . . . . 5.0 3.5 5.0 1 1 143 1 . . . . . 3.5 2.8 3.5 1 1 144 1 . . . . . 3.5 2.8 3.5 1 1 145 1 . . . . . 3.5 2.8 3.5 1 1 146 1 . . . . . 2.8 1.8 2.8 1 1 147 1 . . . . . 5.0 3.5 5.0 1 1 148 1 . . . . . 5.0 3.5 5.0 1 1 149 1 . . . . . 5.0 3.5 5.0 1 1 150 1 . . . . . 3.5 2.8 4.5 1 1 151 1 . . . . . 3.5 2.8 3.5 1 1 152 1 . . . . . 5.0 3.5 5.0 1 1 153 1 . . . . . 5.0 3.5 5.0 1 1 154 1 . . . . . 5.0 3.5 5.0 1 1 155 1 . . . . . 5.0 3.5 5.0 1 1 156 1 . . . . . 3.5 2.8 4.5 1 1 157 1 . . . . . 5.0 3.5 5.0 1 1 158 1 . . . . . 5.0 3.5 5.0 1 1 159 1 . . . . . 2.8 1.8 2.8 1 1 160 1 . . . . . 3.5 2.8 4.5 1 1 161 1 . . . . . 5.0 3.5 5.0 1 1 162 1 . . . . . 2.8 1.8 2.8 1 1 stop_ save_ save_Discover_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 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 8 MET O 1 8 MET O 1 2 1 1 2 1 1 12 ASN H 1 12 ASN HN 1 2 2 1 1 1 1 10 LYS O 1 10 LYS O 1 2 2 1 2 1 1 14 ASN H 1 14 ASN HN 1 2 3 1 1 1 1 11 THR O 1 11 THR O 1 2 3 1 2 1 1 15 ASN H 1 15 ASN HN 1 2 4 1 1 1 1 12 ASN O 1 12 ASN O 1 2 4 1 2 1 1 16 ASP H 1 16 ASP HN 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . 1.8 2.5 1 2 2 1 . . . . . . 1.8 2.5 1 2 3 1 . . . . . . 1.8 2.5 1 2 4 1 . . . . . . 1.8 2.5 1 2 stop_ save_ save_Discover_dihedral_6 _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 TYR CA 1 1 1 TYR C 1 1 2 ASP N 1 1 2 ASP CA 178.0 179.99998 1 1 TYR CA 1 1 TYR 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 ASN N 1 1 3 ASN CA 178.0 179.99998 1 2 ASP CA 1 2 ASP C 1 3 ASN N 1 3 ASN CA 1 1 3 . 1 1 3 ASN CA 1 1 3 ASN C 1 1 4 ILE N 1 1 4 ILE CA 178.0 179.99998 1 3 ASN CA 1 3 ASN C 1 4 ILE N 1 4 ILE CA 1 1 4 . 1 1 4 ILE CA 1 1 4 ILE C 1 1 5 LEU N 1 1 5 LEU CA 178.0 179.99998 1 4 ILE CA 1 4 ILE C 1 5 LEU N 1 5 LEU CA 1 1 5 . 1 1 5 LEU CA 1 1 5 LEU C 1 1 6 VAL N 1 1 6 VAL CA 178.0 179.99998 1 5 LEU CA 1 5 LEU C 1 6 VAL N 1 6 VAL CA 1 1 6 . 1 1 6 VAL CA 1 1 6 VAL C 1 1 7 LYS N 1 1 7 LYS CA 178.0 179.99998 1 6 VAL CA 1 6 VAL 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 MET N 1 1 8 MET CA 178.0 179.99998 1 7 LYS CA 1 7 LYS C 1 8 MET N 1 8 MET CA 1 1 8 . 1 1 8 MET CA 1 1 8 MET C 1 1 9 PHE N 1 1 9 PHE CA 178.0 179.99998 1 8 MET CA 1 8 MET 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 LYS N 1 1 10 LYS CA 178.0 179.99998 1 9 PHE CA 1 9 PHE C 1 10 LYS N 1 10 LYS CA 1 1 10 . 1 1 10 LYS CA 1 1 10 LYS C 1 1 11 THR N 1 1 11 THR CA 178.0 179.99998 1 10 LYS CA 1 10 LYS C 1 11 THR N 1 11 THR CA 1 1 11 . 1 1 11 THR CA 1 1 11 THR C 1 1 12 ASN N 1 1 12 ASN CA 178.0 179.99998 1 11 THR CA 1 11 THR 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 GLU N 1 1 13 GLU CA 178.0 179.99998 1 12 ASN CA 1 12 ASN C 1 13 GLU N 1 13 GLU CA 1 1 13 . 1 1 13 GLU CA 1 1 13 GLU C 1 1 14 ASN N 1 1 14 ASN CA 178.0 179.99998 1 13 GLU CA 1 13 GLU C 1 14 ASN N 1 14 ASN CA 1 1 14 . 1 1 14 ASN CA 1 1 14 ASN C 1 1 15 ASN N 1 1 15 ASN CA 178.0 179.99998 1 14 ASN CA 1 14 ASN C 1 15 ASN N 1 15 ASN CA 1 1 15 . 1 1 15 ASN CA 1 1 15 ASN C 1 1 16 ASP N 1 1 16 ASP CA 178.0 179.99998 1 15 ASN CA 1 15 ASN C 1 16 ASP N 1 16 ASP CA 1 1 16 . 1 1 16 ASP CA 1 1 16 ASP C 1 1 17 LYS N 1 1 17 LYS CA 178.0 179.99998 1 16 ASP CA 1 16 ASP C 1 17 LYS N 1 17 LYS CA 1 1 17 . 1 1 17 LYS CA 1 1 17 LYS C 1 1 18 SER N 1 1 18 SER CA 178.0 179.99998 1 17 LYS CA 1 17 LYS C 1 18 SER N 1 18 SER CA 1 1 18 . 1 1 18 SER CA 1 1 18 SER C 1 1 19 GLU N 1 1 19 GLU CA 178.0 179.99998 1 18 SER CA 1 18 SER C 1 19 GLU N 1 19 GLU CA 1 1 19 . 1 1 19 GLU CA 1 1 19 GLU C 1 1 20 LEU N 1 1 20 LEU CA 178.0 179.99998 1 19 GLU CA 1 19 GLU C 1 20 LEU N 1 20 LEU CA 1 1 20 . 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 ILE N 1 1 21 ILE CA 178.0 179.99998 1 20 LEU CA 1 20 LEU C 1 21 ILE N 1 21 ILE 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 TYR C C -16.674 -4.736 2.284 1.00 . A A . 1 TYR C 1 1 1 2 1 1 1 TYR CA C -18.188 -4.400 2.438 1.00 . A A . 1 TYR CA 1 1 1 3 1 1 1 TYR CB C -18.458 -3.611 3.760 1.00 . A A . 1 TYR CB 1 1 1 4 1 1 1 TYR CD1 C -20.304 -1.912 3.285 1.00 . A A . 1 TYR CD1 1 1 1 5 1 1 1 TYR CD2 C -20.796 -3.751 4.772 1.00 . A A . 1 TYR CD2 1 1 1 6 1 1 1 TYR CE1 C -21.601 -1.432 3.452 1.00 . A A . 1 TYR CE1 1 1 1 7 1 1 1 TYR CE2 C -22.092 -3.269 4.938 1.00 . A A . 1 TYR CE2 1 1 1 8 1 1 1 TYR CG C -19.892 -3.078 3.942 1.00 . A A . 1 TYR CG 1 1 1 9 1 1 1 TYR CZ C -22.495 -2.110 4.278 1.00 . A A . 1 TYR CZ 1 1 1 10 1 1 1 TYR H1 H -19.625 -5.682 1.358 1.00 . A A . 1 TYR H1 1 1 1 11 1 1 1 TYR HA H -18.465 -3.698 1.626 1.00 . A A . 1 TYR HA 1 1 1 12 1 1 1 TYR HB2 H -18.174 -4.236 4.632 1.00 . A A . 1 TYR HB2 1 1 1 13 1 1 1 TYR HB3 H -17.764 -2.745 3.800 1.00 . A A . 1 TYR HB3 1 1 1 14 1 1 1 TYR HD1 H -19.621 -1.376 2.641 1.00 . A A . 1 TYR HD1 1 1 1 15 1 1 1 TYR HD2 H -20.499 -4.653 5.290 1.00 . A A . 1 TYR HD2 1 1 1 16 1 1 1 TYR HE1 H -21.910 -0.532 2.940 1.00 . A A . 1 TYR HE1 1 1 1 17 1 1 1 TYR HE2 H -22.782 -3.796 5.581 1.00 . A A . 1 TYR HE2 1 1 1 18 1 1 1 TYR HH H -24.248 -2.220 5.037 1.00 . A A . 1 TYR HH 1 1 1 19 1 1 1 TYR N N -19.045 -5.602 2.201 1.00 . A A . 1 TYR N 1 1 1 20 1 1 1 TYR O O -16.076 -5.356 3.170 1.00 . A A . 1 TYR O 1 1 1 21 1 1 1 TYR OH O -23.772 -1.636 4.442 1.00 . A A . 1 TYR OH 1 1 1 22 1 1 2 ASP C C -14.103 -3.351 0.015 1.00 . A A . 2 ASP C 1 1 1 23 1 1 2 ASP CA C -14.628 -4.539 0.871 1.00 . A A . 2 ASP CA 1 1 1 24 1 1 2 ASP CB C -14.409 -5.906 0.161 1.00 . A A . 2 ASP CB 1 1 1 25 1 1 2 ASP CG C -12.935 -6.319 0.001 1.00 . A A . 2 ASP CG 1 1 1 26 1 1 2 ASP H H -16.684 -3.823 0.497 1.00 . A A . 2 ASP H 1 1 1 27 1 1 2 ASP HA H -14.080 -4.570 1.836 1.00 . A A . 2 ASP HA 1 1 1 28 1 1 2 ASP HB2 H -14.913 -6.707 0.734 1.00 . A A . 2 ASP HB2 1 1 1 29 1 1 2 ASP HB3 H -14.905 -5.913 -0.829 1.00 . A A . 2 ASP HB3 1 1 1 30 1 1 2 ASP HD2 H -11.490 -6.175 -1.296 1.00 . A A . 2 ASP HD2 1 1 1 31 1 1 2 ASP N N -16.072 -4.320 1.153 1.00 . A A . 2 ASP N 1 1 1 32 1 1 2 ASP O O -14.694 -2.988 -1.010 1.00 . A A . 2 ASP O 1 1 1 33 1 1 2 ASP OD1 O -12.307 -6.934 0.862 1.00 . A A . 2 ASP OD1 1 1 1 34 1 1 2 ASP OD2 O -12.409 -5.917 -1.201 1.00 . A A . 2 ASP OD2 1 1 1 35 1 1 3 ASN C C -10.771 -1.894 -0.079 1.00 . A A . 3 ASN C 1 1 1 36 1 1 3 ASN CA C -12.301 -1.651 -0.248 1.00 . A A . 3 ASN CA 1 1 1 37 1 1 3 ASN CB C -12.761 -0.244 0.241 1.00 . A A . 3 ASN CB 1 1 1 38 1 1 3 ASN CG C -14.194 0.163 -0.159 1.00 . A A . 3 ASN CG 1 1 1 39 1 1 3 ASN H H -12.411 -3.326 1.088 1.00 . A A . 3 ASN H 1 1 1 40 1 1 3 ASN HA H -12.517 -1.728 -1.327 1.00 . A A . 3 ASN HA 1 1 1 41 1 1 3 ASN HB2 H -12.612 -0.154 1.336 1.00 . A A . 3 ASN HB2 1 1 1 42 1 1 3 ASN HB3 H -12.086 0.521 -0.188 1.00 . A A . 3 ASN HB3 1 1 1 43 1 1 3 ASN HD21 H -14.838 -0.133 1.717 1.00 . A A . 3 ASN HD21 1 1 1 44 1 1 3 ASN HD22 H -16.078 0.419 0.482 1.00 . A A . 3 ASN HD22 1 1 1 45 1 1 3 ASN N N -12.978 -2.761 0.458 1.00 . A A . 3 ASN N 1 1 1 46 1 1 3 ASN ND2 N -15.132 0.151 0.776 1.00 . A A . 3 ASN ND2 1 1 1 47 1 1 3 ASN O O -10.080 -1.174 0.649 1.00 . A A . 3 ASN O 1 1 1 48 1 1 3 ASN OD1 O -14.466 0.487 -1.315 1.00 . A A . 3 ASN OD1 1 1 1 49 1 1 4 ILE C C -7.877 -2.287 -1.564 1.00 . A A . 4 ILE C 1 1 1 50 1 1 4 ILE CA C -8.797 -3.278 -0.764 1.00 . A A . 4 ILE CA 1 1 1 51 1 1 4 ILE CB C -8.612 -4.795 -1.126 1.00 . A A . 4 ILE CB 1 1 1 52 1 1 4 ILE CD1 C -7.051 -6.854 -0.682 1.00 . A A . 4 ILE CD1 1 1 1 53 1 1 4 ILE CG1 C -7.197 -5.325 -0.745 1.00 . A A . 4 ILE CG1 1 1 1 54 1 1 4 ILE CG2 C -8.962 -5.124 -2.597 1.00 . A A . 4 ILE CG2 1 1 1 55 1 1 4 ILE H H -10.921 -3.539 -1.238 1.00 . A A . 4 ILE H 1 1 1 56 1 1 4 ILE HA H -8.490 -3.204 0.286 1.00 . A A . 4 ILE HA 1 1 1 57 1 1 4 ILE HB H -9.327 -5.363 -0.498 1.00 . A A . 4 ILE HB 1 1 1 58 1 1 4 ILE HD11 H -6.040 -7.142 -0.339 1.00 . A A . 4 ILE HD11 1 1 1 59 1 1 4 ILE HD12 H -7.203 -7.327 -1.670 1.00 . A A . 4 ILE HD12 1 1 1 60 1 1 4 ILE HD13 H -7.775 -7.306 0.020 1.00 . A A . 4 ILE HD13 1 1 1 61 1 1 4 ILE HG12 H -6.437 -4.920 -1.440 1.00 . A A . 4 ILE HG12 1 1 1 62 1 1 4 ILE HG13 H -6.914 -4.931 0.249 1.00 . A A . 4 ILE HG13 1 1 1 63 1 1 4 ILE HG21 H -8.948 -6.211 -2.787 1.00 . A A . 4 ILE HG21 1 1 1 64 1 1 4 ILE HG22 H -9.975 -4.768 -2.859 1.00 . A A . 4 ILE HG22 1 1 1 65 1 1 4 ILE HG23 H -8.253 -4.649 -3.301 1.00 . A A . 4 ILE HG23 1 1 1 66 1 1 4 ILE N N -10.245 -2.928 -0.772 1.00 . A A . 4 ILE N 1 1 1 67 1 1 4 ILE O O -6.710 -2.128 -1.198 1.00 . A A . 4 ILE O 1 1 1 68 1 1 5 LEU C C -7.168 0.627 -2.737 1.00 . A A . 5 LEU C 1 1 1 69 1 1 5 LEU CA C -7.641 -0.667 -3.468 1.00 . A A . 5 LEU CA 1 1 1 70 1 1 5 LEU CB C -8.479 -0.393 -4.758 1.00 . A A . 5 LEU CB 1 1 1 71 1 1 5 LEU CD1 C -6.589 -0.443 -6.527 1.00 . A A . 5 LEU CD1 1 1 1 72 1 1 5 LEU CD2 C -8.753 0.764 -7.015 1.00 . A A . 5 LEU CD2 1 1 1 73 1 1 5 LEU CG C -7.757 0.355 -5.912 1.00 . A A . 5 LEU CG 1 1 1 74 1 1 5 LEU H H -9.396 -1.800 -2.762 1.00 . A A . 5 LEU H 1 1 1 75 1 1 5 LEU HA H -6.721 -1.211 -3.737 1.00 . A A . 5 LEU HA 1 1 1 76 1 1 5 LEU HB2 H -8.886 -1.341 -5.168 1.00 . A A . 5 LEU HB2 1 1 1 77 1 1 5 LEU HB3 H -9.387 0.181 -4.475 1.00 . A A . 5 LEU HB3 1 1 1 78 1 1 5 LEU HD11 H -6.093 0.121 -7.339 1.00 . A A . 5 LEU HD11 1 1 1 79 1 1 5 LEU HD12 H -5.805 -0.665 -5.780 1.00 . A A . 5 LEU HD12 1 1 1 80 1 1 5 LEU HD13 H -6.922 -1.409 -6.951 1.00 . A A . 5 LEU HD13 1 1 1 81 1 1 5 LEU HD21 H -9.565 1.399 -6.615 1.00 . A A . 5 LEU HD21 1 1 1 82 1 1 5 LEU HD22 H -8.259 1.349 -7.813 1.00 . A A . 5 LEU HD22 1 1 1 83 1 1 5 LEU HD23 H -9.228 -0.113 -7.495 1.00 . A A . 5 LEU HD23 1 1 1 84 1 1 5 LEU HG H -7.343 1.287 -5.495 1.00 . A A . 5 LEU HG 1 1 1 85 1 1 5 LEU N N -8.396 -1.630 -2.625 1.00 . A A . 5 LEU N 1 1 1 86 1 1 5 LEU O O -6.009 1.016 -2.905 1.00 . A A . 5 LEU O 1 1 1 87 1 1 6 VAL C C -6.534 2.264 -0.133 1.00 . A A . 6 VAL C 1 1 1 88 1 1 6 VAL CA C -7.707 2.501 -1.144 1.00 . A A . 6 VAL CA 1 1 1 89 1 1 6 VAL CB C -9.025 3.102 -0.528 1.00 . A A . 6 VAL CB 1 1 1 90 1 1 6 VAL CG1 C -9.546 2.460 0.771 1.00 . A A . 6 VAL CG1 1 1 1 91 1 1 6 VAL CG2 C -8.888 4.620 -0.313 1.00 . A A . 6 VAL CG2 1 1 1 92 1 1 6 VAL H H -8.974 0.839 -1.918 1.00 . A A . 6 VAL H 1 1 1 93 1 1 6 VAL HA H -7.286 3.237 -1.852 1.00 . A A . 6 VAL HA 1 1 1 94 1 1 6 VAL HB H -9.859 2.935 -1.236 1.00 . A A . 6 VAL HB 1 1 1 95 1 1 6 VAL HG11 H -9.659 1.370 0.651 1.00 . A A . 6 VAL HG11 1 1 1 96 1 1 6 VAL HG12 H -8.863 2.641 1.621 1.00 . A A . 6 VAL HG12 1 1 1 97 1 1 6 VAL HG13 H -10.536 2.866 1.046 1.00 . A A . 6 VAL HG13 1 1 1 98 1 1 6 VAL HG21 H -8.104 4.850 0.434 1.00 . A A . 6 VAL HG21 1 1 1 99 1 1 6 VAL HG22 H -9.831 5.070 0.047 1.00 . A A . 6 VAL HG22 1 1 1 100 1 1 6 VAL HG23 H -8.615 5.138 -1.250 1.00 . A A . 6 VAL HG23 1 1 1 101 1 1 6 VAL N N -8.049 1.279 -1.946 1.00 . A A . 6 VAL N 1 1 1 102 1 1 6 VAL O O -5.595 3.062 -0.057 1.00 . A A . 6 VAL O 1 1 1 103 1 1 7 LYS C C -4.218 0.354 0.897 1.00 . A A . 7 LYS C 1 1 1 104 1 1 7 LYS CA C -5.587 0.693 1.575 1.00 . A A . 7 LYS CA 1 1 1 105 1 1 7 LYS CB C -6.097 -0.516 2.418 1.00 . A A . 7 LYS CB 1 1 1 106 1 1 7 LYS CD C -7.518 0.760 4.200 1.00 . A A . 7 LYS CD 1 1 1 107 1 1 7 LYS CE C -8.853 0.859 4.965 1.00 . A A . 7 LYS CE 1 1 1 108 1 1 7 LYS CG C -7.445 -0.395 3.175 1.00 . A A . 7 LYS CG 1 1 1 109 1 1 7 LYS H H -7.538 0.703 0.472 1.00 . A A . 7 LYS H 1 1 1 110 1 1 7 LYS HA H -5.383 1.535 2.259 1.00 . A A . 7 LYS HA 1 1 1 111 1 1 7 LYS HB2 H -6.168 -1.407 1.765 1.00 . A A . 7 LYS HB2 1 1 1 112 1 1 7 LYS HB3 H -5.318 -0.780 3.158 1.00 . A A . 7 LYS HB3 1 1 1 113 1 1 7 LYS HD2 H -6.677 0.687 4.916 1.00 . A A . 7 LYS HD2 1 1 1 114 1 1 7 LYS HD3 H -7.362 1.717 3.668 1.00 . A A . 7 LYS HD3 1 1 1 115 1 1 7 LYS HE2 H -8.891 1.823 5.505 1.00 . A A . 7 LYS HE2 1 1 1 116 1 1 7 LYS HE3 H -9.704 0.880 4.259 1.00 . A A . 7 LYS HE3 1 1 1 117 1 1 7 LYS HG2 H -8.285 -0.318 2.456 1.00 . A A . 7 LYS HG2 1 1 1 118 1 1 7 LYS HG3 H -7.620 -1.351 3.701 1.00 . A A . 7 LYS HG3 1 1 1 119 1 1 7 LYS HZ2 H -9.076 -1.135 5.460 1.00 . A A . 7 LYS HZ2 1 1 1 120 1 1 7 LYS HZ3 H -9.962 -0.133 6.400 1.00 . A A . 7 LYS HZ3 1 1 1 121 1 1 7 LYS N N -6.618 1.141 0.599 1.00 . A A . 7 LYS N 1 1 1 122 1 1 7 LYS NZ N -9.049 -0.230 5.942 1.00 . A A . 7 LYS NZ 1 1 1 123 1 1 7 LYS O O -3.175 0.750 1.423 1.00 . A A . 7 LYS O 1 1 1 124 1 1 8 MET C C -2.257 0.514 -1.700 1.00 . A A . 8 MET C 1 1 1 125 1 1 8 MET CA C -3.003 -0.688 -1.028 1.00 . A A . 8 MET CA 1 1 1 126 1 1 8 MET CB C -3.259 -1.840 -2.021 1.00 . A A . 8 MET CB 1 1 1 127 1 1 8 MET CE C -3.383 -5.250 0.440 1.00 . A A . 8 MET CE 1 1 1 128 1 1 8 MET CG C -3.669 -3.210 -1.438 1.00 . A A . 8 MET CG 1 1 1 129 1 1 8 MET H H -5.155 -0.595 -0.602 1.00 . A A . 8 MET H 1 1 1 130 1 1 8 MET HA H -2.299 -1.117 -0.321 1.00 . A A . 8 MET HA 1 1 1 131 1 1 8 MET HB2 H -4.008 -1.515 -2.746 1.00 . A A . 8 MET HB2 1 1 1 132 1 1 8 MET HB3 H -2.340 -2.008 -2.614 1.00 . A A . 8 MET HB3 1 1 1 133 1 1 8 MET HE1 H -2.857 -5.682 1.310 1.00 . A A . 8 MET HE1 1 1 1 134 1 1 8 MET HE2 H -4.459 -5.193 0.686 1.00 . A A . 8 MET HE2 1 1 1 135 1 1 8 MET HE3 H -3.258 -5.940 -0.414 1.00 . A A . 8 MET HE3 1 1 1 136 1 1 8 MET HG2 H -4.759 -3.282 -1.239 1.00 . A A . 8 MET HG2 1 1 1 137 1 1 8 MET HG3 H -3.452 -3.976 -2.194 1.00 . A A . 8 MET HG3 1 1 1 138 1 1 8 MET N N -4.226 -0.346 -0.261 1.00 . A A . 8 MET N 1 1 1 139 1 1 8 MET O O -1.069 0.353 -1.993 1.00 . A A . 8 MET O 1 1 1 140 1 1 8 MET SD S -2.726 -3.616 0.052 1.00 . A A . 8 MET SD 1 1 1 141 1 1 9 PHE C C -1.123 3.454 -1.568 1.00 . A A . 9 PHE C 1 1 1 142 1 1 9 PHE CA C -2.204 2.878 -2.537 1.00 . A A . 9 PHE CA 1 1 1 143 1 1 9 PHE CB C -3.204 3.992 -2.971 1.00 . A A . 9 PHE CB 1 1 1 144 1 1 9 PHE CD1 C -3.687 3.219 -5.374 1.00 . A A . 9 PHE CD1 1 1 1 145 1 1 9 PHE CD2 C -5.499 4.109 -4.049 1.00 . A A . 9 PHE CD2 1 1 1 146 1 1 9 PHE CE1 C -4.547 3.091 -6.462 1.00 . A A . 9 PHE CE1 1 1 1 147 1 1 9 PHE CE2 C -6.357 3.983 -5.139 1.00 . A A . 9 PHE CE2 1 1 1 148 1 1 9 PHE CG C -4.158 3.722 -4.153 1.00 . A A . 9 PHE CG 1 1 1 149 1 1 9 PHE CZ C -5.878 3.481 -6.346 1.00 . A A . 9 PHE CZ 1 1 1 150 1 1 9 PHE H H -3.852 1.752 -1.591 1.00 . A A . 9 PHE H 1 1 1 151 1 1 9 PHE HA H -1.666 2.543 -3.440 1.00 . A A . 9 PHE HA 1 1 1 152 1 1 9 PHE HB2 H -3.779 4.313 -2.079 1.00 . A A . 9 PHE HB2 1 1 1 153 1 1 9 PHE HB3 H -2.625 4.895 -3.246 1.00 . A A . 9 PHE HB3 1 1 1 154 1 1 9 PHE HD1 H -2.649 2.944 -5.495 1.00 . A A . 9 PHE HD1 1 1 1 155 1 1 9 PHE HD2 H -5.880 4.534 -3.132 1.00 . A A . 9 PHE HD2 1 1 1 156 1 1 9 PHE HE1 H -4.177 2.704 -7.400 1.00 . A A . 9 PHE HE1 1 1 1 157 1 1 9 PHE HE2 H -7.390 4.284 -5.052 1.00 . A A . 9 PHE HE2 1 1 1 158 1 1 9 PHE HZ H -6.543 3.386 -7.192 1.00 . A A . 9 PHE HZ 1 1 1 159 1 1 9 PHE N N -2.892 1.689 -1.948 1.00 . A A . 9 PHE N 1 1 1 160 1 1 9 PHE O O 0.042 3.570 -1.958 1.00 . A A . 9 PHE O 1 1 1 161 1 1 10 LYS C C 0.431 3.238 1.268 1.00 . A A . 10 LYS C 1 1 1 162 1 1 10 LYS CA C -0.577 4.300 0.726 1.00 . A A . 10 LYS CA 1 1 1 163 1 1 10 LYS CB C -1.339 4.961 1.927 1.00 . A A . 10 LYS CB 1 1 1 164 1 1 10 LYS CD C -3.734 5.877 1.497 1.00 . A A . 10 LYS CD 1 1 1 165 1 1 10 LYS CE C -4.584 7.132 1.228 1.00 . A A . 10 LYS CE 1 1 1 166 1 1 10 LYS CG C -2.228 6.196 1.613 1.00 . A A . 10 LYS CG 1 1 1 167 1 1 10 LYS H H -2.526 3.652 -0.186 1.00 . A A . 10 LYS H 1 1 1 168 1 1 10 LYS HA H 0.070 5.043 0.211 1.00 . A A . 10 LYS HA 1 1 1 169 1 1 10 LYS HB2 H -1.940 4.192 2.452 1.00 . A A . 10 LYS HB2 1 1 1 170 1 1 10 LYS HB3 H -0.632 5.271 2.732 1.00 . A A . 10 LYS HB3 1 1 1 171 1 1 10 LYS HD2 H -3.892 5.139 0.688 1.00 . A A . 10 LYS HD2 1 1 1 172 1 1 10 LYS HD3 H -4.079 5.387 2.428 1.00 . A A . 10 LYS HD3 1 1 1 173 1 1 10 LYS HE2 H -4.456 7.867 2.044 1.00 . A A . 10 LYS HE2 1 1 1 174 1 1 10 LYS HE3 H -4.250 7.634 0.301 1.00 . A A . 10 LYS HE3 1 1 1 175 1 1 10 LYS HG2 H -2.065 6.919 2.426 1.00 . A A . 10 LYS HG2 1 1 1 176 1 1 10 LYS HG3 H -1.908 6.750 0.710 1.00 . A A . 10 LYS HG3 1 1 1 177 1 1 10 LYS HZ2 H -6.158 6.165 0.308 1.00 . A A . 10 LYS HZ2 1 1 1 178 1 1 10 LYS HZ3 H -6.554 7.641 0.888 1.00 . A A . 10 LYS HZ3 1 1 1 179 1 1 10 LYS N N -1.516 3.785 -0.319 1.00 . A A . 10 LYS N 1 1 1 180 1 1 10 LYS NZ N -6.013 6.797 1.104 1.00 . A A . 10 LYS NZ 1 1 1 181 1 1 10 LYS O O 1.584 3.594 1.527 1.00 . A A . 10 LYS O 1 1 1 182 1 1 11 THR C C 2.099 0.598 0.915 1.00 . A A . 11 THR C 1 1 1 183 1 1 11 THR CA C 0.908 0.855 1.898 1.00 . A A . 11 THR CA 1 1 1 184 1 1 11 THR CB C 0.052 -0.413 2.206 1.00 . A A . 11 THR CB 1 1 1 185 1 1 11 THR CG2 C 0.846 -1.589 2.798 1.00 . A A . 11 THR CG2 1 1 1 186 1 1 11 THR H H -0.952 1.776 1.196 1.00 . A A . 11 THR H 1 1 1 187 1 1 11 THR HA H 1.335 1.193 2.851 1.00 . A A . 11 THR HA 1 1 1 188 1 1 11 THR HB H -0.431 -0.763 1.273 1.00 . A A . 11 THR HB 1 1 1 189 1 1 11 THR HG1 H -1.469 -0.919 3.274 1.00 . A A . 11 THR HG1 1 1 1 190 1 1 11 THR HG21 H 0.182 -2.444 3.021 1.00 . A A . 11 THR HG21 1 1 1 191 1 1 11 THR HG22 H 1.352 -1.305 3.738 1.00 . A A . 11 THR HG22 1 1 1 192 1 1 11 THR HG23 H 1.619 -1.951 2.097 1.00 . A A . 11 THR HG23 1 1 1 193 1 1 11 THR N N 0.023 1.959 1.435 1.00 . A A . 11 THR N 1 1 1 194 1 1 11 THR O O 3.255 0.591 1.344 1.00 . A A . 11 THR O 1 1 1 195 1 1 11 THR OG1 O -0.976 -0.105 3.145 1.00 . A A . 11 THR OG1 1 1 1 196 1 1 12 ASN C C 3.725 1.447 -1.726 1.00 . A A . 12 ASN C 1 1 1 197 1 1 12 ASN CA C 2.807 0.209 -1.453 1.00 . A A . 12 ASN CA 1 1 1 198 1 1 12 ASN CB C 2.056 -0.280 -2.731 1.00 . A A . 12 ASN CB 1 1 1 199 1 1 12 ASN CG C 2.964 -0.838 -3.847 1.00 . A A . 12 ASN CG 1 1 1 200 1 1 12 ASN H H 0.802 0.420 -0.585 1.00 . A A . 12 ASN H 1 1 1 201 1 1 12 ASN HA H 3.455 -0.612 -1.092 1.00 . A A . 12 ASN HA 1 1 1 202 1 1 12 ASN HB2 H 1.298 -1.051 -2.476 1.00 . A A . 12 ASN HB2 1 1 1 203 1 1 12 ASN HB3 H 1.446 0.544 -3.155 1.00 . A A . 12 ASN HB3 1 1 1 204 1 1 12 ASN HD21 H 2.926 -2.660 -3.010 1.00 . A A . 12 ASN HD21 1 1 1 205 1 1 12 ASN HD22 H 3.906 -2.464 -4.549 1.00 . A A . 12 ASN HD22 1 1 1 206 1 1 12 ASN N N 1.801 0.415 -0.385 1.00 . A A . 12 ASN N 1 1 1 207 1 1 12 ASN ND2 N 3.299 -2.118 -3.797 1.00 . A A . 12 ASN ND2 1 1 1 208 1 1 12 ASN O O 4.915 1.242 -1.973 1.00 . A A . 12 ASN O 1 1 1 209 1 1 12 ASN OD1 O 3.370 -0.118 -4.758 1.00 . A A . 12 ASN OD1 1 1 1 210 1 1 13 GLU C C 5.088 4.173 -0.776 1.00 . A A . 13 GLU C 1 1 1 211 1 1 13 GLU CA C 4.020 3.929 -1.886 1.00 . A A . 13 GLU CA 1 1 1 212 1 1 13 GLU CB C 3.060 5.136 -2.110 1.00 . A A . 13 GLU CB 1 1 1 213 1 1 13 GLU CD C 4.475 6.476 -3.821 1.00 . A A . 13 GLU CD 1 1 1 214 1 1 13 GLU CG C 3.714 6.486 -2.490 1.00 . A A . 13 GLU CG 1 1 1 215 1 1 13 GLU H H 2.219 2.776 -1.445 1.00 . A A . 13 GLU H 1 1 1 216 1 1 13 GLU HA H 4.556 3.776 -2.830 1.00 . A A . 13 GLU HA 1 1 1 217 1 1 13 GLU HB2 H 2.322 4.882 -2.896 1.00 . A A . 13 GLU HB2 1 1 1 218 1 1 13 GLU HB3 H 2.455 5.295 -1.196 1.00 . A A . 13 GLU HB3 1 1 1 219 1 1 13 GLU HE2 H 4.120 6.615 -5.730 1.00 . A A . 13 GLU HE2 1 1 1 220 1 1 13 GLU HG2 H 2.932 7.268 -2.532 1.00 . A A . 13 GLU HG2 1 1 1 221 1 1 13 GLU HG3 H 4.396 6.815 -1.685 1.00 . A A . 13 GLU HG3 1 1 1 222 1 1 13 GLU N N 3.210 2.700 -1.683 1.00 . A A . 13 GLU N 1 1 1 223 1 1 13 GLU O O 6.272 4.317 -1.092 1.00 . A A . 13 GLU O 1 1 1 224 1 1 13 GLU OE1 O 5.696 6.341 -3.901 1.00 . A A . 13 GLU OE1 1 1 1 225 1 1 13 GLU OE2 O 3.640 6.628 -4.899 1.00 . A A . 13 GLU OE2 1 1 1 226 1 1 14 ASN C C 6.552 3.261 1.945 1.00 . A A . 14 ASN C 1 1 1 227 1 1 14 ASN CA C 5.554 4.425 1.668 1.00 . A A . 14 ASN CA 1 1 1 228 1 1 14 ASN CB C 4.730 4.803 2.934 1.00 . A A . 14 ASN CB 1 1 1 229 1 1 14 ASN CG C 4.066 6.197 2.899 1.00 . A A . 14 ASN CG 1 1 1 230 1 1 14 ASN H H 3.652 4.102 0.595 1.00 . A A . 14 ASN H 1 1 1 231 1 1 14 ASN HA H 6.163 5.302 1.418 1.00 . A A . 14 ASN HA 1 1 1 232 1 1 14 ASN HB2 H 3.989 4.009 3.158 1.00 . A A . 14 ASN HB2 1 1 1 233 1 1 14 ASN HB3 H 5.400 4.802 3.816 1.00 . A A . 14 ASN HB3 1 1 1 234 1 1 14 ASN HD21 H 2.240 5.373 2.809 1.00 . A A . 14 ASN HD21 1 1 1 235 1 1 14 ASN HD22 H 2.334 7.205 2.823 1.00 . A A . 14 ASN HD22 1 1 1 236 1 1 14 ASN N N 4.662 4.203 0.500 1.00 . A A . 14 ASN N 1 1 1 237 1 1 14 ASN ND2 N 2.745 6.265 2.835 1.00 . A A . 14 ASN ND2 1 1 1 238 1 1 14 ASN O O 7.763 3.498 1.990 1.00 . A A . 14 ASN O 1 1 1 239 1 1 14 ASN OD1 O 4.742 7.225 2.938 1.00 . A A . 14 ASN OD1 1 1 1 240 1 1 15 ASN C C 7.622 0.324 1.106 1.00 . A A . 15 ASN C 1 1 1 241 1 1 15 ASN CA C 6.865 0.818 2.361 1.00 . A A . 15 ASN CA 1 1 1 242 1 1 15 ASN CB C 5.996 -0.288 3.037 1.00 . A A . 15 ASN CB 1 1 1 243 1 1 15 ASN CG C 6.810 -1.401 3.727 1.00 . A A . 15 ASN CG 1 1 1 244 1 1 15 ASN H H 5.031 1.971 2.045 1.00 . A A . 15 ASN H 1 1 1 245 1 1 15 ASN HA H 7.648 1.117 3.069 1.00 . A A . 15 ASN HA 1 1 1 246 1 1 15 ASN HB2 H 5.340 0.152 3.814 1.00 . A A . 15 ASN HB2 1 1 1 247 1 1 15 ASN HB3 H 5.279 -0.722 2.309 1.00 . A A . 15 ASN HB3 1 1 1 248 1 1 15 ASN HD21 H 6.382 -2.682 2.245 1.00 . A A . 15 ASN HD21 1 1 1 249 1 1 15 ASN HD22 H 7.424 -3.307 3.620 1.00 . A A . 15 ASN HD22 1 1 1 250 1 1 15 ASN N N 6.044 2.026 2.118 1.00 . A A . 15 ASN N 1 1 1 251 1 1 15 ASN ND2 N 6.879 -2.584 3.137 1.00 . A A . 15 ASN ND2 1 1 1 252 1 1 15 ASN O O 8.838 0.162 1.187 1.00 . A A . 15 ASN O 1 1 1 253 1 1 15 ASN OD1 O 7.377 -1.204 4.801 1.00 . A A . 15 ASN OD1 1 1 1 254 1 1 16 ASP C C 8.481 -1.682 -1.076 1.00 . A A . 16 ASP C 1 1 1 255 1 1 16 ASP CA C 7.575 -0.423 -1.292 1.00 . A A . 16 ASP CA 1 1 1 256 1 1 16 ASP CB C 8.263 0.774 -2.019 1.00 . A A . 16 ASP CB 1 1 1 257 1 1 16 ASP CG C 8.664 0.575 -3.490 1.00 . A A . 16 ASP CG 1 1 1 258 1 1 16 ASP H H 5.923 0.118 0.089 1.00 . A A . 16 ASP H 1 1 1 259 1 1 16 ASP HA H 6.741 -0.739 -1.936 1.00 . A A . 16 ASP HA 1 1 1 260 1 1 16 ASP HB2 H 7.608 1.666 -1.984 1.00 . A A . 16 ASP HB2 1 1 1 261 1 1 16 ASP HB3 H 9.167 1.060 -1.455 1.00 . A A . 16 ASP HB3 1 1 1 262 1 1 16 ASP HD2 H 9.341 2.395 -3.350 1.00 . A A . 16 ASP HD2 1 1 1 263 1 1 16 ASP N N 6.939 0.062 -0.026 1.00 . A A . 16 ASP N 1 1 1 264 1 1 16 ASP O O 9.654 -1.687 -1.453 1.00 . A A . 16 ASP O 1 1 1 265 1 1 16 ASP OD1 O 8.465 -0.455 -4.134 1.00 . A A . 16 ASP OD1 1 1 1 266 1 1 16 ASP OD2 O 9.274 1.692 -4.000 1.00 . A A . 16 ASP OD2 1 1 1 267 1 1 17 LYS C C 9.528 -3.947 1.127 1.00 . A A . 17 LYS C 1 1 1 268 1 1 17 LYS CA C 8.562 -4.022 -0.108 1.00 . A A . 17 LYS CA 1 1 1 269 1 1 17 LYS CB C 9.115 -4.737 -1.368 1.00 . A A . 17 LYS CB 1 1 1 270 1 1 17 LYS CD C 8.555 -7.189 -0.776 1.00 . A A . 17 LYS CD 1 1 1 271 1 1 17 LYS CE C 9.078 -8.635 -0.713 1.00 . A A . 17 LYS CE 1 1 1 272 1 1 17 LYS CG C 9.642 -6.178 -1.195 1.00 . A A . 17 LYS CG 1 1 1 273 1 1 17 LYS H H 6.914 -2.584 -0.255 1.00 . A A . 17 LYS H 1 1 1 274 1 1 17 LYS HA H 7.724 -4.649 0.239 1.00 . A A . 17 LYS HA 1 1 1 275 1 1 17 LYS HB2 H 8.331 -4.756 -2.150 1.00 . A A . 17 LYS HB2 1 1 1 276 1 1 17 LYS HB3 H 9.901 -4.097 -1.786 1.00 . A A . 17 LYS HB3 1 1 1 277 1 1 17 LYS HD2 H 8.148 -6.895 0.211 1.00 . A A . 17 LYS HD2 1 1 1 278 1 1 17 LYS HD3 H 7.704 -7.119 -1.482 1.00 . A A . 17 LYS HD3 1 1 1 279 1 1 17 LYS HE2 H 9.483 -8.943 -1.695 1.00 . A A . 17 LYS HE2 1 1 1 280 1 1 17 LYS HE3 H 9.914 -8.712 0.006 1.00 . A A . 17 LYS HE3 1 1 1 281 1 1 17 LYS HG2 H 10.089 -6.500 -2.155 1.00 . A A . 17 LYS HG2 1 1 1 282 1 1 17 LYS HG3 H 10.475 -6.190 -0.467 1.00 . A A . 17 LYS HG3 1 1 1 283 1 1 17 LYS HZ2 H 7.235 -9.524 -0.982 1.00 . A A . 17 LYS HZ2 1 1 1 284 1 1 17 LYS HZ3 H 7.622 -9.299 0.590 1.00 . A A . 17 LYS HZ3 1 1 1 285 1 1 17 LYS N N 7.904 -2.727 -0.440 1.00 . A A . 17 LYS N 1 1 1 286 1 1 17 LYS NZ N 8.015 -9.575 -0.317 1.00 . A A . 17 LYS NZ 1 1 1 287 1 1 17 LYS O O 9.460 -4.831 1.986 1.00 . A A . 17 LYS O 1 1 1 288 1 1 18 SER C C 11.038 -1.302 2.938 1.00 . A A . 18 SER C 1 1 1 289 1 1 18 SER CA C 11.335 -2.716 2.353 1.00 . A A . 18 SER CA 1 1 1 290 1 1 18 SER CB C 12.799 -2.990 1.888 1.00 . A A . 18 SER CB 1 1 1 291 1 1 18 SER H H 10.306 -2.238 0.461 1.00 . A A . 18 SER H 1 1 1 292 1 1 18 SER HA H 11.088 -3.406 3.185 1.00 . A A . 18 SER HA 1 1 1 293 1 1 18 SER HB2 H 12.923 -3.945 1.328 1.00 . A A . 18 SER HB2 1 1 1 294 1 1 18 SER HB3 H 13.134 -2.211 1.178 1.00 . A A . 18 SER HB3 1 1 1 295 1 1 18 SER HG H 14.556 -3.140 2.652 1.00 . A A . 18 SER HG 1 1 1 296 1 1 18 SER N N 10.405 -2.926 1.215 1.00 . A A . 18 SER N 1 1 1 297 1 1 18 SER O O 10.262 -1.198 3.892 1.00 . A A . 18 SER O 1 1 1 298 1 1 18 SER OG O 13.675 -2.995 3.006 1.00 . A A . 18 SER OG 1 1 1 299 1 1 19 GLU C C 11.747 2.054 1.555 1.00 . A A . 19 GLU C 1 1 1 300 1 1 19 GLU CA C 11.404 1.170 2.796 1.00 . A A . 19 GLU CA 1 1 1 301 1 1 19 GLU CB C 12.259 1.472 4.061 1.00 . A A . 19 GLU CB 1 1 1 302 1 1 19 GLU CD C 12.836 3.164 5.894 1.00 . A A . 19 GLU CD 1 1 1 303 1 1 19 GLU CG C 12.103 2.911 4.575 1.00 . A A . 19 GLU CG 1 1 1 304 1 1 19 GLU H H 12.252 -0.428 1.600 1.00 . A A . 19 GLU H 1 1 1 305 1 1 19 GLU HA H 10.334 1.305 3.058 1.00 . A A . 19 GLU HA 1 1 1 306 1 1 19 GLU HB2 H 11.973 0.773 4.870 1.00 . A A . 19 GLU HB2 1 1 1 307 1 1 19 GLU HB3 H 13.330 1.269 3.862 1.00 . A A . 19 GLU HB3 1 1 1 308 1 1 19 GLU HE2 H 11.182 2.569 6.732 1.00 . A A . 19 GLU HE2 1 1 1 309 1 1 19 GLU HG2 H 12.490 3.603 3.806 1.00 . A A . 19 GLU HG2 1 1 1 310 1 1 19 GLU HG3 H 11.028 3.138 4.681 1.00 . A A . 19 GLU HG3 1 1 1 311 1 1 19 GLU N N 11.628 -0.228 2.375 1.00 . A A . 19 GLU N 1 1 1 312 1 1 19 GLU O O 12.905 2.449 1.380 1.00 . A A . 19 GLU O 1 1 1 313 1 1 19 GLU OE1 O 13.994 3.578 5.957 1.00 . A A . 19 GLU OE1 1 1 1 314 1 1 19 GLU OE2 O 12.055 2.878 6.985 1.00 . A A . 19 GLU OE2 1 1 1 315 1 1 20 LEU C C 12.099 2.844 -1.454 1.00 . A A . 20 LEU C 1 1 1 316 1 1 20 LEU CA C 10.891 3.239 -0.524 1.00 . A A . 20 LEU CA 1 1 1 317 1 1 20 LEU CB C 10.894 4.721 -0.008 1.00 . A A . 20 LEU CB 1 1 1 318 1 1 20 LEU CD1 C 9.193 5.875 -1.569 1.00 . A A . 20 LEU CD1 1 1 1 319 1 1 20 LEU CD2 C 11.058 7.212 -0.517 1.00 . A A . 20 LEU CD2 1 1 1 320 1 1 20 LEU CG C 10.653 5.832 -1.071 1.00 . A A . 20 LEU CG 1 1 1 321 1 1 20 LEU H H 9.840 1.976 1.045 1.00 . A A . 20 LEU H 1 1 1 322 1 1 20 LEU HA H 10.014 3.146 -1.216 1.00 . A A . 20 LEU HA 1 1 1 323 1 1 20 LEU HB2 H 10.168 4.886 0.822 1.00 . A A . 20 LEU HB2 1 1 1 324 1 1 20 LEU HB3 H 11.869 4.877 0.485 1.00 . A A . 20 LEU HB3 1 1 1 325 1 1 20 LEU HD11 H 8.892 4.927 -2.051 1.00 . A A . 20 LEU HD11 1 1 1 326 1 1 20 LEU HD12 H 9.042 6.669 -2.323 1.00 . A A . 20 LEU HD12 1 1 1 327 1 1 20 LEU HD13 H 8.478 6.065 -0.746 1.00 . A A . 20 LEU HD13 1 1 1 328 1 1 20 LEU HD21 H 10.456 7.502 0.364 1.00 . A A . 20 LEU HD21 1 1 1 329 1 1 20 LEU HD22 H 12.120 7.231 -0.209 1.00 . A A . 20 LEU HD22 1 1 1 330 1 1 20 LEU HD23 H 10.936 8.008 -1.275 1.00 . A A . 20 LEU HD23 1 1 1 331 1 1 20 LEU HG H 11.299 5.638 -1.946 1.00 . A A . 20 LEU HG 1 1 1 332 1 1 20 LEU N N 10.735 2.356 0.700 1.00 . A A . 20 LEU N 1 1 1 333 1 1 20 LEU O O 12.962 3.678 -1.751 1.00 . A A . 20 LEU O 1 1 1 334 1 1 21 ILE C C 12.677 0.946 -4.257 1.00 . A A . 21 ILE C 1 1 1 335 1 1 21 ILE CA C 13.219 1.054 -2.801 1.00 . A A . 21 ILE CA 1 1 1 336 1 1 21 ILE CB C 13.795 -0.290 -2.227 1.00 . A A . 21 ILE CB 1 1 1 337 1 1 21 ILE CD1 C 13.320 -2.835 -1.781 1.00 . A A . 21 ILE CD1 1 1 1 338 1 1 21 ILE CG1 C 12.760 -1.407 -1.877 1.00 . A A . 21 ILE CG1 1 1 1 339 1 1 21 ILE CG2 C 14.740 -0.027 -1.025 1.00 . A A . 21 ILE CG2 1 1 1 340 1 1 21 ILE H H 11.542 0.881 -1.470 1.00 . A A . 21 ILE H 1 1 1 341 1 1 21 ILE HA H 14.070 1.767 -2.816 1.00 . A A . 21 ILE HA 1 1 1 342 1 1 21 ILE HB H 14.421 -0.693 -3.033 1.00 . A A . 21 ILE HB 1 1 1 343 1 1 21 ILE HD11 H 13.790 -3.153 -2.730 1.00 . A A . 21 ILE HD11 1 1 1 344 1 1 21 ILE HD12 H 12.517 -3.560 -1.554 1.00 . A A . 21 ILE HD12 1 1 1 345 1 1 21 ILE HD13 H 14.078 -2.933 -0.983 1.00 . A A . 21 ILE HD13 1 1 1 346 1 1 21 ILE HG12 H 12.238 -1.157 -0.934 1.00 . A A . 21 ILE HG12 1 1 1 347 1 1 21 ILE HG13 H 11.965 -1.429 -2.642 1.00 . A A . 21 ILE HG13 1 1 1 348 1 1 21 ILE HG21 H 14.192 0.359 -0.145 1.00 . A A . 21 ILE HG21 1 1 1 349 1 1 21 ILE HG22 H 15.271 -0.941 -0.704 1.00 . A A . 21 ILE HG22 1 1 1 350 1 1 21 ILE HG23 H 15.521 0.715 -1.274 1.00 . A A . 21 ILE HG23 1 1 1 351 1 1 21 ILE N N 12.144 1.575 -1.920 1.00 . A A . 21 ILE N 1 1 1 352 1 1 21 ILE O O 11.846 0.102 -4.595 1.00 . A A . 21 ILE O 1 1 2 353 1 1 1 TYR C C -13.904 -5.470 -0.441 1.00 . A A . 1 TYR C 1 1 2 354 1 1 1 TYR CA C -13.452 -6.733 -1.225 1.00 . A A . 1 TYR CA 1 1 2 355 1 1 1 TYR CB C -12.170 -6.413 -2.049 1.00 . A A . 1 TYR CB 1 1 2 356 1 1 1 TYR CD1 C -10.714 -8.509 -2.041 1.00 . A A . 1 TYR CD1 1 1 2 357 1 1 1 TYR CD2 C -11.688 -7.800 -4.135 1.00 . A A . 1 TYR CD2 1 1 2 358 1 1 1 TYR CE1 C -10.116 -9.589 -2.687 1.00 . A A . 1 TYR CE1 1 1 2 359 1 1 1 TYR CE2 C -11.090 -8.880 -4.778 1.00 . A A . 1 TYR CE2 1 1 2 360 1 1 1 TYR CG C -11.507 -7.607 -2.761 1.00 . A A . 1 TYR CG 1 1 2 361 1 1 1 TYR CZ C -10.303 -9.775 -4.055 1.00 . A A . 1 TYR CZ 1 1 2 362 1 1 1 TYR H1 H -15.199 -6.522 -2.565 1.00 . A A . 1 TYR H1 1 1 2 363 1 1 1 TYR HA H -13.190 -7.532 -0.501 1.00 . A A . 1 TYR HA 1 1 2 364 1 1 1 TYR HB2 H -12.388 -5.606 -2.781 1.00 . A A . 1 TYR HB2 1 1 2 365 1 1 1 TYR HB3 H -11.417 -5.976 -1.360 1.00 . A A . 1 TYR HB3 1 1 2 366 1 1 1 TYR HD1 H -10.561 -8.378 -0.979 1.00 . A A . 1 TYR HD1 1 1 2 367 1 1 1 TYR HD2 H -12.297 -7.116 -4.710 1.00 . A A . 1 TYR HD2 1 1 2 368 1 1 1 TYR HE1 H -9.507 -10.280 -2.122 1.00 . A A . 1 TYR HE1 1 1 2 369 1 1 1 TYR HE2 H -11.238 -9.022 -5.839 1.00 . A A . 1 TYR HE2 1 1 2 370 1 1 1 TYR HH H -9.945 -10.814 -5.621 1.00 . A A . 1 TYR HH 1 1 2 371 1 1 1 TYR N N -14.587 -7.186 -2.078 1.00 . A A . 1 TYR N 1 1 2 372 1 1 1 TYR O O -14.370 -4.488 -1.032 1.00 . A A . 1 TYR O 1 1 2 373 1 1 1 TYR OH O -9.714 -10.838 -4.690 1.00 . A A . 1 TYR OH 1 1 2 374 1 1 2 ASP C C -12.925 -3.364 1.909 1.00 . A A . 2 ASP C 1 1 2 375 1 1 2 ASP CA C -14.112 -4.365 1.786 1.00 . A A . 2 ASP CA 1 1 2 376 1 1 2 ASP CB C -14.597 -4.898 3.166 1.00 . A A . 2 ASP CB 1 1 2 377 1 1 2 ASP CG C -15.302 -3.842 4.034 1.00 . A A . 2 ASP CG 1 1 2 378 1 1 2 ASP H H -13.270 -6.352 1.232 1.00 . A A . 2 ASP H 1 1 2 379 1 1 2 ASP HA H -14.991 -3.857 1.337 1.00 . A A . 2 ASP HA 1 1 2 380 1 1 2 ASP HB2 H -15.319 -5.724 3.017 1.00 . A A . 2 ASP HB2 1 1 2 381 1 1 2 ASP HB3 H -13.762 -5.343 3.742 1.00 . A A . 2 ASP HB3 1 1 2 382 1 1 2 ASP HD2 H -14.962 -2.754 5.611 1.00 . A A . 2 ASP HD2 1 1 2 383 1 1 2 ASP N N -13.729 -5.498 0.896 1.00 . A A . 2 ASP N 1 1 2 384 1 1 2 ASP O O -11.900 -3.673 2.525 1.00 . A A . 2 ASP O 1 1 2 385 1 1 2 ASP OD1 O -16.443 -3.436 3.813 1.00 . A A . 2 ASP OD1 1 1 2 386 1 1 2 ASP OD2 O -14.517 -3.412 5.073 1.00 . A A . 2 ASP OD2 1 1 2 387 1 1 3 ASN C C -10.688 -1.417 0.734 1.00 . A A . 3 ASN C 1 1 2 388 1 1 3 ASN CA C -12.100 -1.058 1.304 1.00 . A A . 3 ASN CA 1 1 2 389 1 1 3 ASN CB C -12.112 -0.220 2.624 1.00 . A A . 3 ASN CB 1 1 2 390 1 1 3 ASN CG C -11.572 -0.842 3.931 1.00 . A A . 3 ASN CG 1 1 2 391 1 1 3 ASN H H -13.901 -2.116 0.677 1.00 . A A . 3 ASN H 1 1 2 392 1 1 3 ASN HA H -12.509 -0.350 0.558 1.00 . A A . 3 ASN HA 1 1 2 393 1 1 3 ASN HB2 H -11.588 0.735 2.428 1.00 . A A . 3 ASN HB2 1 1 2 394 1 1 3 ASN HB3 H -13.151 0.105 2.822 1.00 . A A . 3 ASN HB3 1 1 2 395 1 1 3 ASN HD21 H -9.807 0.085 3.698 1.00 . A A . 3 ASN HD21 1 1 2 396 1 1 3 ASN HD22 H -10.016 -0.960 5.192 1.00 . A A . 3 ASN HD22 1 1 2 397 1 1 3 ASN N N -13.099 -2.166 1.314 1.00 . A A . 3 ASN N 1 1 2 398 1 1 3 ASN ND2 N -10.339 -0.541 4.313 1.00 . A A . 3 ASN ND2 1 1 2 399 1 1 3 ASN O O -9.657 -1.218 1.384 1.00 . A A . 3 ASN O 1 1 2 400 1 1 3 ASN OD1 O -12.273 -1.577 4.626 1.00 . A A . 3 ASN OD1 1 1 2 401 1 1 4 ILE C C -8.555 -1.025 -1.645 1.00 . A A . 4 ILE C 1 1 2 402 1 1 4 ILE CA C -9.406 -2.277 -1.239 1.00 . A A . 4 ILE CA 1 1 2 403 1 1 4 ILE CB C -9.673 -3.306 -2.392 1.00 . A A . 4 ILE CB 1 1 2 404 1 1 4 ILE CD1 C -8.529 -5.257 -3.717 1.00 . A A . 4 ILE CD1 1 1 2 405 1 1 4 ILE CG1 C -8.356 -3.957 -2.914 1.00 . A A . 4 ILE CG1 1 1 2 406 1 1 4 ILE CG2 C -10.524 -2.737 -3.552 1.00 . A A . 4 ILE CG2 1 1 2 407 1 1 4 ILE H H -11.576 -2.146 -0.917 1.00 . A A . 4 ILE H 1 1 2 408 1 1 4 ILE HA H -8.808 -2.830 -0.508 1.00 . A A . 4 ILE HA 1 1 2 409 1 1 4 ILE HB H -10.263 -4.125 -1.942 1.00 . A A . 4 ILE HB 1 1 2 410 1 1 4 ILE HD11 H -9.031 -6.039 -3.120 1.00 . A A . 4 ILE HD11 1 1 2 411 1 1 4 ILE HD12 H -7.549 -5.664 -4.027 1.00 . A A . 4 ILE HD12 1 1 2 412 1 1 4 ILE HD13 H -9.122 -5.105 -4.637 1.00 . A A . 4 ILE HD13 1 1 2 413 1 1 4 ILE HG12 H -7.785 -3.228 -3.520 1.00 . A A . 4 ILE HG12 1 1 2 414 1 1 4 ILE HG13 H -7.697 -4.193 -2.058 1.00 . A A . 4 ILE HG13 1 1 2 415 1 1 4 ILE HG21 H -10.813 -3.524 -4.269 1.00 . A A . 4 ILE HG21 1 1 2 416 1 1 4 ILE HG22 H -9.979 -1.955 -4.112 1.00 . A A . 4 ILE HG22 1 1 2 417 1 1 4 ILE HG23 H -11.461 -2.285 -3.179 1.00 . A A . 4 ILE HG23 1 1 2 418 1 1 4 ILE N N -10.663 -1.925 -0.517 1.00 . A A . 4 ILE N 1 1 2 419 1 1 4 ILE O O -7.329 -1.070 -1.521 1.00 . A A . 4 ILE O 1 1 2 420 1 1 5 LEU C C -7.945 2.126 -1.270 1.00 . A A . 5 LEU C 1 1 2 421 1 1 5 LEU CA C -8.515 1.333 -2.484 1.00 . A A . 5 LEU CA 1 1 2 422 1 1 5 LEU CB C -9.438 2.233 -3.366 1.00 . A A . 5 LEU CB 1 1 2 423 1 1 5 LEU CD1 C -10.928 2.572 -5.405 1.00 . A A . 5 LEU CD1 1 1 2 424 1 1 5 LEU CD2 C -8.660 1.512 -5.725 1.00 . A A . 5 LEU CD2 1 1 2 425 1 1 5 LEU CG C -9.852 1.676 -4.760 1.00 . A A . 5 LEU CG 1 1 2 426 1 1 5 LEU H H -10.216 -0.024 -2.128 1.00 . A A . 5 LEU H 1 1 2 427 1 1 5 LEU HA H -7.637 1.015 -3.065 1.00 . A A . 5 LEU HA 1 1 2 428 1 1 5 LEU HB2 H -10.355 2.473 -2.788 1.00 . A A . 5 LEU HB2 1 1 2 429 1 1 5 LEU HB3 H -8.962 3.222 -3.518 1.00 . A A . 5 LEU HB3 1 1 2 430 1 1 5 LEU HD11 H -11.825 2.658 -4.763 1.00 . A A . 5 LEU HD11 1 1 2 431 1 1 5 LEU HD12 H -10.560 3.598 -5.593 1.00 . A A . 5 LEU HD12 1 1 2 432 1 1 5 LEU HD13 H -11.273 2.164 -6.374 1.00 . A A . 5 LEU HD13 1 1 2 433 1 1 5 LEU HD21 H -8.135 2.469 -5.905 1.00 . A A . 5 LEU HD21 1 1 2 434 1 1 5 LEU HD22 H -8.982 1.125 -6.710 1.00 . A A . 5 LEU HD22 1 1 2 435 1 1 5 LEU HD23 H -7.913 0.795 -5.339 1.00 . A A . 5 LEU HD23 1 1 2 436 1 1 5 LEU HG H -10.309 0.679 -4.617 1.00 . A A . 5 LEU HG 1 1 2 437 1 1 5 LEU N N -9.199 0.067 -2.110 1.00 . A A . 5 LEU N 1 1 2 438 1 1 5 LEU O O -6.823 2.631 -1.364 1.00 . A A . 5 LEU O 1 1 2 439 1 1 6 VAL C C -6.981 2.207 1.703 1.00 . A A . 6 VAL C 1 1 2 440 1 1 6 VAL CA C -8.245 2.920 1.101 1.00 . A A . 6 VAL CA 1 1 2 441 1 1 6 VAL CB C -9.406 3.090 2.151 1.00 . A A . 6 VAL CB 1 1 2 442 1 1 6 VAL CG1 C -9.000 3.988 3.343 1.00 . A A . 6 VAL CG1 1 1 2 443 1 1 6 VAL CG2 C -10.719 3.640 1.557 1.00 . A A . 6 VAL CG2 1 1 2 444 1 1 6 VAL H H -9.629 1.809 -0.238 1.00 . A A . 6 VAL H 1 1 2 445 1 1 6 VAL HA H -7.928 3.936 0.804 1.00 . A A . 6 VAL HA 1 1 2 446 1 1 6 VAL HB H -9.668 2.103 2.572 1.00 . A A . 6 VAL HB 1 1 2 447 1 1 6 VAL HG11 H -8.732 5.011 3.019 1.00 . A A . 6 VAL HG11 1 1 2 448 1 1 6 VAL HG12 H -9.813 4.079 4.088 1.00 . A A . 6 VAL HG12 1 1 2 449 1 1 6 VAL HG13 H -8.128 3.579 3.886 1.00 . A A . 6 VAL HG13 1 1 2 450 1 1 6 VAL HG21 H -11.129 2.950 0.796 1.00 . A A . 6 VAL HG21 1 1 2 451 1 1 6 VAL HG22 H -10.567 4.620 1.071 1.00 . A A . 6 VAL HG22 1 1 2 452 1 1 6 VAL HG23 H -11.501 3.748 2.330 1.00 . A A . 6 VAL HG23 1 1 2 453 1 1 6 VAL N N -8.699 2.232 -0.153 1.00 . A A . 6 VAL N 1 1 2 454 1 1 6 VAL O O -6.013 2.883 2.063 1.00 . A A . 6 VAL O 1 1 2 455 1 1 7 LYS C C -4.611 0.092 1.360 1.00 . A A . 7 LYS C 1 1 2 456 1 1 7 LYS CA C -5.870 0.035 2.284 1.00 . A A . 7 LYS CA 1 1 2 457 1 1 7 LYS CB C -6.385 -1.415 2.540 1.00 . A A . 7 LYS CB 1 1 2 458 1 1 7 LYS CD C -4.653 -2.140 4.355 1.00 . A A . 7 LYS CD 1 1 2 459 1 1 7 LYS CE C -3.671 -3.242 4.795 1.00 . A A . 7 LYS CE 1 1 2 460 1 1 7 LYS CG C -5.375 -2.483 3.034 1.00 . A A . 7 LYS CG 1 1 2 461 1 1 7 LYS H H -7.867 0.450 1.412 1.00 . A A . 7 LYS H 1 1 2 462 1 1 7 LYS HA H -5.574 0.465 3.254 1.00 . A A . 7 LYS HA 1 1 2 463 1 1 7 LYS HB2 H -7.219 -1.377 3.267 1.00 . A A . 7 LYS HB2 1 1 2 464 1 1 7 LYS HB3 H -6.843 -1.807 1.611 1.00 . A A . 7 LYS HB3 1 1 2 465 1 1 7 LYS HD2 H -4.105 -1.186 4.238 1.00 . A A . 7 LYS HD2 1 1 2 466 1 1 7 LYS HD3 H -5.404 -1.964 5.148 1.00 . A A . 7 LYS HD3 1 1 2 467 1 1 7 LYS HE2 H -4.203 -4.201 4.935 1.00 . A A . 7 LYS HE2 1 1 2 468 1 1 7 LYS HE3 H -2.912 -3.419 4.010 1.00 . A A . 7 LYS HE3 1 1 2 469 1 1 7 LYS HG2 H -5.922 -3.436 3.165 1.00 . A A . 7 LYS HG2 1 1 2 470 1 1 7 LYS HG3 H -4.631 -2.698 2.240 1.00 . A A . 7 LYS HG3 1 1 2 471 1 1 7 LYS HZ2 H -2.364 -3.646 6.340 1.00 . A A . 7 LYS HZ2 1 1 2 472 1 1 7 LYS HZ3 H -3.671 -2.783 6.808 1.00 . A A . 7 LYS HZ3 1 1 2 473 1 1 7 LYS N N -7.005 0.859 1.789 1.00 . A A . 7 LYS N 1 1 2 474 1 1 7 LYS NZ N -2.987 -2.884 6.050 1.00 . A A . 7 LYS NZ 1 1 2 475 1 1 7 LYS O O -3.511 0.316 1.870 1.00 . A A . 7 LYS O 1 1 2 476 1 1 8 MET C C -2.984 1.397 -1.147 1.00 . A A . 8 MET C 1 1 2 477 1 1 8 MET CA C -3.649 -0.005 -0.944 1.00 . A A . 8 MET CA 1 1 2 478 1 1 8 MET CB C -4.015 -0.667 -2.288 1.00 . A A . 8 MET CB 1 1 2 479 1 1 8 MET CE C -4.114 -4.747 -1.279 1.00 . A A . 8 MET CE 1 1 2 480 1 1 8 MET CG C -4.402 -2.162 -2.267 1.00 . A A . 8 MET CG 1 1 2 481 1 1 8 MET H H -5.738 -0.170 -0.277 1.00 . A A . 8 MET H 1 1 2 482 1 1 8 MET HA H -2.866 -0.650 -0.557 1.00 . A A . 8 MET HA 1 1 2 483 1 1 8 MET HB2 H -4.819 -0.090 -2.750 1.00 . A A . 8 MET HB2 1 1 2 484 1 1 8 MET HB3 H -3.154 -0.566 -2.977 1.00 . A A . 8 MET HB3 1 1 2 485 1 1 8 MET HE1 H -5.179 -4.731 -0.983 1.00 . A A . 8 MET HE1 1 1 2 486 1 1 8 MET HE2 H -3.590 -5.473 -0.632 1.00 . A A . 8 MET HE2 1 1 2 487 1 1 8 MET HE3 H -4.049 -5.108 -2.322 1.00 . A A . 8 MET HE3 1 1 2 488 1 1 8 MET HG2 H -5.477 -2.314 -2.036 1.00 . A A . 8 MET HG2 1 1 2 489 1 1 8 MET HG3 H -4.248 -2.569 -3.275 1.00 . A A . 8 MET HG3 1 1 2 490 1 1 8 MET N N -4.769 -0.083 0.031 1.00 . A A . 8 MET N 1 1 2 491 1 1 8 MET O O -1.852 1.440 -1.639 1.00 . A A . 8 MET O 1 1 2 492 1 1 8 MET SD S -3.376 -3.109 -1.117 1.00 . A A . 8 MET SD 1 1 2 493 1 1 9 PHE C C -1.852 4.076 0.086 1.00 . A A . 9 PHE C 1 1 2 494 1 1 9 PHE CA C -3.059 3.891 -0.889 1.00 . A A . 9 PHE CA 1 1 2 495 1 1 9 PHE CB C -4.201 4.937 -0.716 1.00 . A A . 9 PHE CB 1 1 2 496 1 1 9 PHE CD1 C -3.659 6.961 -2.177 1.00 . A A . 9 PHE CD1 1 1 2 497 1 1 9 PHE CD2 C -3.502 7.204 0.222 1.00 . A A . 9 PHE CD2 1 1 2 498 1 1 9 PHE CE1 C -3.261 8.286 -2.335 1.00 . A A . 9 PHE CE1 1 1 2 499 1 1 9 PHE CE2 C -3.101 8.528 0.061 1.00 . A A . 9 PHE CE2 1 1 2 500 1 1 9 PHE CG C -3.781 6.409 -0.896 1.00 . A A . 9 PHE CG 1 1 2 501 1 1 9 PHE CZ C -2.982 9.069 -1.217 1.00 . A A . 9 PHE CZ 1 1 2 502 1 1 9 PHE H H -4.543 2.369 -0.315 1.00 . A A . 9 PHE H 1 1 2 503 1 1 9 PHE HA H -2.671 4.006 -1.916 1.00 . A A . 9 PHE HA 1 1 2 504 1 1 9 PHE HB2 H -5.012 4.716 -1.438 1.00 . A A . 9 PHE HB2 1 1 2 505 1 1 9 PHE HB3 H -4.684 4.803 0.272 1.00 . A A . 9 PHE HB3 1 1 2 506 1 1 9 PHE HD1 H -3.867 6.363 -3.054 1.00 . A A . 9 PHE HD1 1 1 2 507 1 1 9 PHE HD2 H -3.585 6.797 1.220 1.00 . A A . 9 PHE HD2 1 1 2 508 1 1 9 PHE HE1 H -3.167 8.707 -3.326 1.00 . A A . 9 PHE HE1 1 1 2 509 1 1 9 PHE HE2 H -2.883 9.136 0.927 1.00 . A A . 9 PHE HE2 1 1 2 510 1 1 9 PHE HZ H -2.672 10.096 -1.341 1.00 . A A . 9 PHE HZ 1 1 2 511 1 1 9 PHE N N -3.641 2.523 -0.778 1.00 . A A . 9 PHE N 1 1 2 512 1 1 9 PHE O O -0.747 4.375 -0.373 1.00 . A A . 9 PHE O 1 1 2 513 1 1 10 LYS C C 0.024 2.797 2.446 1.00 . A A . 10 LYS C 1 1 2 514 1 1 10 LYS CA C -0.991 3.980 2.433 1.00 . A A . 10 LYS CA 1 1 2 515 1 1 10 LYS CB C -1.536 4.253 3.868 1.00 . A A . 10 LYS CB 1 1 2 516 1 1 10 LYS CD C -1.382 6.882 3.741 1.00 . A A . 10 LYS CD 1 1 2 517 1 1 10 LYS CE C -2.134 8.185 4.066 1.00 . A A . 10 LYS CE 1 1 2 518 1 1 10 LYS CG C -2.231 5.622 4.023 1.00 . A A . 10 LYS CG 1 1 2 519 1 1 10 LYS H H -3.057 3.666 1.595 1.00 . A A . 10 LYS H 1 1 2 520 1 1 10 LYS HA H -0.406 4.872 2.147 1.00 . A A . 10 LYS HA 1 1 2 521 1 1 10 LYS HB2 H -2.239 3.454 4.175 1.00 . A A . 10 LYS HB2 1 1 2 522 1 1 10 LYS HB3 H -0.744 4.175 4.652 1.00 . A A . 10 LYS HB3 1 1 2 523 1 1 10 LYS HD2 H -0.443 6.832 4.326 1.00 . A A . 10 LYS HD2 1 1 2 524 1 1 10 LYS HD3 H -1.080 6.897 2.677 1.00 . A A . 10 LYS HD3 1 1 2 525 1 1 10 LYS HE2 H -3.075 8.243 3.487 1.00 . A A . 10 LYS HE2 1 1 2 526 1 1 10 LYS HE3 H -2.424 8.209 5.133 1.00 . A A . 10 LYS HE3 1 1 2 527 1 1 10 LYS HG2 H -3.155 5.647 3.415 1.00 . A A . 10 LYS HG2 1 1 2 528 1 1 10 LYS HG3 H -2.554 5.666 5.063 1.00 . A A . 10 LYS HG3 1 1 2 529 1 1 10 LYS HZ2 H -0.468 9.371 4.345 1.00 . A A . 10 LYS HZ2 1 1 2 530 1 1 10 LYS HZ3 H -1.823 10.225 4.020 1.00 . A A . 10 LYS HZ3 1 1 2 531 1 1 10 LYS N N -2.073 3.880 1.402 1.00 . A A . 10 LYS N 1 1 2 532 1 1 10 LYS NZ N -1.314 9.372 3.765 1.00 . A A . 10 LYS NZ 1 1 2 533 1 1 10 LYS O O 1.198 3.038 2.739 1.00 . A A . 10 LYS O 1 1 2 534 1 1 11 THR C C 1.622 0.525 0.981 1.00 . A A . 11 THR C 1 1 2 535 1 1 11 THR CA C 0.511 0.365 2.072 1.00 . A A . 11 THR CA 1 1 2 536 1 1 11 THR CB C -0.336 -0.940 1.940 1.00 . A A . 11 THR CB 1 1 2 537 1 1 11 THR CG2 C 0.485 -2.239 1.950 1.00 . A A . 11 THR CG2 1 1 2 538 1 1 11 THR H H -1.378 1.454 1.886 1.00 . A A . 11 THR H 1 1 2 539 1 1 11 THR HA H 1.013 0.321 3.046 1.00 . A A . 11 THR HA 1 1 2 540 1 1 11 THR HB H -0.913 -0.908 0.996 1.00 . A A . 11 THR HB 1 1 2 541 1 1 11 THR HG1 H -0.731 -1.087 3.820 1.00 . A A . 11 THR HG1 1 1 2 542 1 1 11 THR HG21 H 1.179 -2.289 1.092 1.00 . A A . 11 THR HG21 1 1 2 543 1 1 11 THR HG22 H -0.173 -3.126 1.888 1.00 . A A . 11 THR HG22 1 1 2 544 1 1 11 THR HG23 H 1.085 -2.333 2.874 1.00 . A A . 11 THR HG23 1 1 2 545 1 1 11 THR N N -0.392 1.547 2.135 1.00 . A A . 11 THR N 1 1 2 546 1 1 11 THR O O 2.805 0.356 1.285 1.00 . A A . 11 THR O 1 1 2 547 1 1 11 THR OG1 O -1.261 -1.041 3.021 1.00 . A A . 11 THR OG1 1 1 2 548 1 1 12 ASN C C 3.010 2.412 -1.247 1.00 . A A . 12 ASN C 1 1 2 549 1 1 12 ASN CA C 2.157 1.105 -1.389 1.00 . A A . 12 ASN CA 1 1 2 550 1 1 12 ASN CB C 1.351 1.060 -2.723 1.00 . A A . 12 ASN CB 1 1 2 551 1 1 12 ASN CG C 2.218 0.842 -3.981 1.00 . A A . 12 ASN CG 1 1 2 552 1 1 12 ASN H H 0.219 0.937 -0.372 1.00 . A A . 12 ASN H 1 1 2 553 1 1 12 ASN HA H 2.849 0.243 -1.375 1.00 . A A . 12 ASN HA 1 1 2 554 1 1 12 ASN HB2 H 0.610 0.235 -2.704 1.00 . A A . 12 ASN HB2 1 1 2 555 1 1 12 ASN HB3 H 0.718 1.967 -2.833 1.00 . A A . 12 ASN HB3 1 1 2 556 1 1 12 ASN HD21 H 2.274 2.816 -4.332 1.00 . A A . 12 ASN HD21 1 1 2 557 1 1 12 ASN HD22 H 3.168 1.730 -5.509 1.00 . A A . 12 ASN HD22 1 1 2 558 1 1 12 ASN N N 1.228 0.867 -0.261 1.00 . A A . 12 ASN N 1 1 2 559 1 1 12 ASN ND2 N 2.592 1.905 -4.679 1.00 . A A . 12 ASN ND2 1 1 2 560 1 1 12 ASN O O 4.198 2.376 -1.574 1.00 . A A . 12 ASN O 1 1 2 561 1 1 12 ASN OD1 O 2.560 -0.287 -4.333 1.00 . A A . 12 ASN OD1 1 1 2 562 1 1 13 GLU C C 4.293 4.801 0.530 1.00 . A A . 13 GLU C 1 1 2 563 1 1 13 GLU CA C 3.184 4.815 -0.573 1.00 . A A . 13 GLU CA 1 1 2 564 1 1 13 GLU CB C 2.153 5.965 -0.376 1.00 . A A . 13 GLU CB 1 1 2 565 1 1 13 GLU CD C 3.368 7.826 -1.716 1.00 . A A . 13 GLU CD 1 1 2 566 1 1 13 GLU CG C 2.698 7.413 -0.398 1.00 . A A . 13 GLU CG 1 1 2 567 1 1 13 GLU H H 1.452 3.478 -0.516 1.00 . A A . 13 GLU H 1 1 2 568 1 1 13 GLU HA H 3.692 4.996 -1.529 1.00 . A A . 13 GLU HA 1 1 2 569 1 1 13 GLU HB2 H 1.370 5.899 -1.156 1.00 . A A . 13 GLU HB2 1 1 2 570 1 1 13 GLU HB3 H 1.614 5.811 0.579 1.00 . A A . 13 GLU HB3 1 1 2 571 1 1 13 GLU HE2 H 5.143 8.217 -2.413 1.00 . A A . 13 GLU HE2 1 1 2 572 1 1 13 GLU HG2 H 1.862 8.111 -0.205 1.00 . A A . 13 GLU HG2 1 1 2 573 1 1 13 GLU HG3 H 3.392 7.567 0.450 1.00 . A A . 13 GLU HG3 1 1 2 574 1 1 13 GLU N N 2.438 3.544 -0.775 1.00 . A A . 13 GLU N 1 1 2 575 1 1 13 GLU O O 5.309 5.481 0.363 1.00 . A A . 13 GLU O 1 1 2 576 1 1 13 GLU OE1 O 2.749 8.013 -2.763 1.00 . A A . 13 GLU OE1 1 1 2 577 1 1 13 GLU OE2 O 4.727 7.959 -1.587 1.00 . A A . 13 GLU OE2 1 1 2 578 1 1 14 ASN C C 6.072 2.753 2.544 1.00 . A A . 14 ASN C 1 1 2 579 1 1 14 ASN CA C 5.077 3.936 2.739 1.00 . A A . 14 ASN CA 1 1 2 580 1 1 14 ASN CB C 4.360 3.908 4.122 1.00 . A A . 14 ASN CB 1 1 2 581 1 1 14 ASN CG C 3.724 5.244 4.563 1.00 . A A . 14 ASN CG 1 1 2 582 1 1 14 ASN H H 3.162 3.665 1.711 1.00 . A A . 14 ASN H 1 1 2 583 1 1 14 ASN HA H 5.678 4.848 2.735 1.00 . A A . 14 ASN HA 1 1 2 584 1 1 14 ASN HB2 H 3.622 3.081 4.156 1.00 . A A . 14 ASN HB2 1 1 2 585 1 1 14 ASN HB3 H 5.097 3.641 4.903 1.00 . A A . 14 ASN HB3 1 1 2 586 1 1 14 ASN HD21 H 1.879 4.521 4.253 1.00 . A A . 14 ASN HD21 1 1 2 587 1 1 14 ASN HD22 H 2.013 6.249 4.856 1.00 . A A . 14 ASN HD22 1 1 2 588 1 1 14 ASN N N 4.097 4.057 1.634 1.00 . A A . 14 ASN N 1 1 2 589 1 1 14 ASN ND2 N 2.404 5.349 4.557 1.00 . A A . 14 ASN ND2 1 1 2 590 1 1 14 ASN O O 7.276 2.987 2.398 1.00 . A A . 14 ASN O 1 1 2 591 1 1 14 ASN OD1 O 4.422 6.195 4.916 1.00 . A A . 14 ASN OD1 1 1 2 592 1 1 15 ASN C C 6.960 -0.014 0.938 1.00 . A A . 15 ASN C 1 1 2 593 1 1 15 ASN CA C 6.389 0.274 2.363 1.00 . A A . 15 ASN CA 1 1 2 594 1 1 15 ASN CB C 5.561 -0.933 2.911 1.00 . A A . 15 ASN CB 1 1 2 595 1 1 15 ASN CG C 6.377 -2.210 3.200 1.00 . A A . 15 ASN CG 1 1 2 596 1 1 15 ASN H H 4.565 1.456 2.671 1.00 . A A . 15 ASN H 1 1 2 597 1 1 15 ASN HA H 7.257 0.418 3.030 1.00 . A A . 15 ASN HA 1 1 2 598 1 1 15 ASN HB2 H 5.009 -0.657 3.834 1.00 . A A . 15 ASN HB2 1 1 2 599 1 1 15 ASN HB3 H 4.751 -1.195 2.201 1.00 . A A . 15 ASN HB3 1 1 2 600 1 1 15 ASN HD21 H 6.806 -1.559 5.048 1.00 . A A . 15 ASN HD21 1 1 2 601 1 1 15 ASN HD22 H 7.485 -3.190 4.555 1.00 . A A . 15 ASN HD22 1 1 2 602 1 1 15 ASN N N 5.571 1.503 2.530 1.00 . A A . 15 ASN N 1 1 2 603 1 1 15 ASN ND2 N 6.948 -2.332 4.389 1.00 . A A . 15 ASN ND2 1 1 2 604 1 1 15 ASN O O 8.091 -0.498 0.850 1.00 . A A . 15 ASN O 1 1 2 605 1 1 15 ASN OD1 O 6.500 -3.094 2.352 1.00 . A A . 15 ASN OD1 1 1 2 606 1 1 16 ASP C C 7.038 1.327 -2.265 1.00 . A A . 16 ASP C 1 1 2 607 1 1 16 ASP CA C 6.633 0.002 -1.540 1.00 . A A . 16 ASP CA 1 1 2 608 1 1 16 ASP CB C 5.522 -0.818 -2.257 1.00 . A A . 16 ASP CB 1 1 2 609 1 1 16 ASP CG C 5.954 -1.487 -3.568 1.00 . A A . 16 ASP CG 1 1 2 610 1 1 16 ASP H H 5.476 0.935 0.035 1.00 . A A . 16 ASP H 1 1 2 611 1 1 16 ASP HA H 7.522 -0.634 -1.500 1.00 . A A . 16 ASP HA 1 1 2 612 1 1 16 ASP HB2 H 5.126 -1.611 -1.593 1.00 . A A . 16 ASP HB2 1 1 2 613 1 1 16 ASP HB3 H 4.654 -0.167 -2.465 1.00 . A A . 16 ASP HB3 1 1 2 614 1 1 16 ASP HD2 H 6.892 -3.080 -4.177 1.00 . A A . 16 ASP HD2 1 1 2 615 1 1 16 ASP N N 6.191 0.240 -0.143 1.00 . A A . 16 ASP N 1 1 2 616 1 1 16 ASP O O 6.530 1.651 -3.344 1.00 . A A . 16 ASP O 1 1 2 617 1 1 16 ASP OD1 O 5.724 -1.011 -4.680 1.00 . A A . 16 ASP OD1 1 1 2 618 1 1 16 ASP OD2 O 6.623 -2.665 -3.354 1.00 . A A . 16 ASP OD2 1 1 2 619 1 1 17 LYS C C 10.033 3.491 -1.942 1.00 . A A . 17 LYS C 1 1 2 620 1 1 17 LYS CA C 8.506 3.348 -2.198 1.00 . A A . 17 LYS CA 1 1 2 621 1 1 17 LYS CB C 7.648 4.547 -1.682 1.00 . A A . 17 LYS CB 1 1 2 622 1 1 17 LYS CD C 6.164 5.105 -3.703 1.00 . A A . 17 LYS CD 1 1 2 623 1 1 17 LYS CE C 5.697 6.189 -4.691 1.00 . A A . 17 LYS CE 1 1 2 624 1 1 17 LYS CG C 7.271 5.597 -2.747 1.00 . A A . 17 LYS CG 1 1 2 625 1 1 17 LYS H H 8.117 1.834 -0.689 1.00 . A A . 17 LYS H 1 1 2 626 1 1 17 LYS HA H 8.400 3.278 -3.282 1.00 . A A . 17 LYS HA 1 1 2 627 1 1 17 LYS HB2 H 6.709 4.183 -1.227 1.00 . A A . 17 LYS HB2 1 1 2 628 1 1 17 LYS HB3 H 8.162 5.058 -0.847 1.00 . A A . 17 LYS HB3 1 1 2 629 1 1 17 LYS HD2 H 6.528 4.220 -4.259 1.00 . A A . 17 LYS HD2 1 1 2 630 1 1 17 LYS HD3 H 5.307 4.743 -3.103 1.00 . A A . 17 LYS HD3 1 1 2 631 1 1 17 LYS HE2 H 5.347 7.086 -4.147 1.00 . A A . 17 LYS HE2 1 1 2 632 1 1 17 LYS HE3 H 6.539 6.520 -5.326 1.00 . A A . 17 LYS HE3 1 1 2 633 1 1 17 LYS HG2 H 6.920 6.507 -2.227 1.00 . A A . 17 LYS HG2 1 1 2 634 1 1 17 LYS HG3 H 8.169 5.907 -3.314 1.00 . A A . 17 LYS HG3 1 1 2 635 1 1 17 LYS HZ2 H 4.934 4.907 -6.117 1.00 . A A . 17 LYS HZ2 1 1 2 636 1 1 17 LYS HZ3 H 4.334 6.424 -6.223 1.00 . A A . 17 LYS HZ3 1 1 2 637 1 1 17 LYS N N 7.993 2.065 -1.668 1.00 . A A . 17 LYS N 1 1 2 638 1 1 17 LYS NZ N 4.606 5.698 -5.551 1.00 . A A . 17 LYS NZ 1 1 2 639 1 1 17 LYS O O 10.806 3.549 -2.904 1.00 . A A . 17 LYS O 1 1 2 640 1 1 18 SER C C 12.625 2.254 -0.354 1.00 . A A . 18 SER C 1 1 2 641 1 1 18 SER CA C 11.899 3.633 -0.281 1.00 . A A . 18 SER CA 1 1 2 642 1 1 18 SER CB C 12.047 4.333 1.106 1.00 . A A . 18 SER CB 1 1 2 643 1 1 18 SER H H 9.686 3.491 0.010 1.00 . A A . 18 SER H 1 1 2 644 1 1 18 SER HA H 12.411 4.256 -1.040 1.00 . A A . 18 SER HA 1 1 2 645 1 1 18 SER HB2 H 11.433 5.255 1.227 1.00 . A A . 18 SER HB2 1 1 2 646 1 1 18 SER HB3 H 11.707 3.665 1.920 1.00 . A A . 18 SER HB3 1 1 2 647 1 1 18 SER HG H 13.436 5.076 2.209 1.00 . A A . 18 SER HG 1 1 2 648 1 1 18 SER N N 10.460 3.541 -0.663 1.00 . A A . 18 SER N 1 1 2 649 1 1 18 SER O O 13.572 2.112 -1.133 1.00 . A A . 18 SER O 1 1 2 650 1 1 18 SER OG O 13.409 4.674 1.337 1.00 . A A . 18 SER OG 1 1 2 651 1 1 19 GLU C C 11.551 -1.055 0.156 1.00 . A A . 19 GLU C 1 1 2 652 1 1 19 GLU CA C 12.743 -0.104 0.460 1.00 . A A . 19 GLU CA 1 1 2 653 1 1 19 GLU CB C 13.444 -0.355 1.825 1.00 . A A . 19 GLU CB 1 1 2 654 1 1 19 GLU CD C 14.853 -1.949 3.255 1.00 . A A . 19 GLU CD 1 1 2 655 1 1 19 GLU CG C 14.070 -1.756 1.956 1.00 . A A . 19 GLU CG 1 1 2 656 1 1 19 GLU H H 11.334 1.480 0.959 1.00 . A A . 19 GLU H 1 1 2 657 1 1 19 GLU HA H 13.514 -0.213 -0.332 1.00 . A A . 19 GLU HA 1 1 2 658 1 1 19 GLU HB2 H 14.238 0.404 1.967 1.00 . A A . 19 GLU HB2 1 1 2 659 1 1 19 GLU HB3 H 12.737 -0.202 2.665 1.00 . A A . 19 GLU HB3 1 1 2 660 1 1 19 GLU HE2 H 13.136 -2.459 4.018 1.00 . A A . 19 GLU HE2 1 1 2 661 1 1 19 GLU HG2 H 13.274 -2.522 1.892 1.00 . A A . 19 GLU HG2 1 1 2 662 1 1 19 GLU HG3 H 14.737 -1.940 1.096 1.00 . A A . 19 GLU HG3 1 1 2 663 1 1 19 GLU N N 12.188 1.266 0.448 1.00 . A A . 19 GLU N 1 1 2 664 1 1 19 GLU O O 10.839 -1.508 1.059 1.00 . A A . 19 GLU O 1 1 2 665 1 1 19 GLU OE1 O 16.065 -1.754 3.352 1.00 . A A . 19 GLU OE1 1 1 2 666 1 1 19 GLU OE2 O 14.051 -2.362 4.289 1.00 . A A . 19 GLU OE2 1 1 2 667 1 1 20 LEU C C 10.423 -3.729 -1.129 1.00 . A A . 20 LEU C 1 1 2 668 1 1 20 LEU CA C 10.312 -2.260 -1.652 1.00 . A A . 20 LEU CA 1 1 2 669 1 1 20 LEU CB C 10.244 -2.204 -3.210 1.00 . A A . 20 LEU CB 1 1 2 670 1 1 20 LEU CD1 C 10.843 0.250 -3.894 1.00 . A A . 20 LEU CD1 1 1 2 671 1 1 20 LEU CD2 C 9.346 -1.147 -5.348 1.00 . A A . 20 LEU CD2 1 1 2 672 1 1 20 LEU CG C 9.789 -0.878 -3.895 1.00 . A A . 20 LEU CG 1 1 2 673 1 1 20 LEU H H 11.858 -0.727 -1.784 1.00 . A A . 20 LEU H 1 1 2 674 1 1 20 LEU HA H 9.349 -1.871 -1.281 1.00 . A A . 20 LEU HA 1 1 2 675 1 1 20 LEU HB2 H 11.187 -2.564 -3.671 1.00 . A A . 20 LEU HB2 1 1 2 676 1 1 20 LEU HB3 H 9.509 -2.966 -3.485 1.00 . A A . 20 LEU HB3 1 1 2 677 1 1 20 LEU HD11 H 10.497 1.134 -4.461 1.00 . A A . 20 LEU HD11 1 1 2 678 1 1 20 LEU HD12 H 11.800 -0.074 -4.345 1.00 . A A . 20 LEU HD12 1 1 2 679 1 1 20 LEU HD13 H 11.063 0.617 -2.877 1.00 . A A . 20 LEU HD13 1 1 2 680 1 1 20 LEU HD21 H 10.178 -1.516 -5.977 1.00 . A A . 20 LEU HD21 1 1 2 681 1 1 20 LEU HD22 H 8.947 -0.235 -5.830 1.00 . A A . 20 LEU HD22 1 1 2 682 1 1 20 LEU HD23 H 8.540 -1.903 -5.397 1.00 . A A . 20 LEU HD23 1 1 2 683 1 1 20 LEU HG H 8.900 -0.508 -3.356 1.00 . A A . 20 LEU HG 1 1 2 684 1 1 20 LEU N N 11.375 -1.358 -1.142 1.00 . A A . 20 LEU N 1 1 2 685 1 1 20 LEU O O 9.459 -4.238 -0.551 1.00 . A A . 20 LEU O 1 1 2 686 1 1 21 ILE C C 12.738 -5.617 0.437 1.00 . A A . 21 ILE C 1 1 2 687 1 1 21 ILE CA C 11.856 -5.766 -0.846 1.00 . A A . 21 ILE CA 1 1 2 688 1 1 21 ILE CB C 12.415 -6.712 -1.977 1.00 . A A . 21 ILE CB 1 1 2 689 1 1 21 ILE CD1 C 12.082 -7.451 -4.477 1.00 . A A . 21 ILE CD1 1 1 2 690 1 1 21 ILE CG1 C 11.472 -6.809 -3.220 1.00 . A A . 21 ILE CG1 1 1 2 691 1 1 21 ILE CG2 C 12.703 -8.137 -1.433 1.00 . A A . 21 ILE CG2 1 1 2 692 1 1 21 ILE H H 12.295 -3.795 -1.785 1.00 . A A . 21 ILE H 1 1 2 693 1 1 21 ILE HA H 10.906 -6.231 -0.514 1.00 . A A . 21 ILE HA 1 1 2 694 1 1 21 ILE HB H 13.381 -6.297 -2.323 1.00 . A A . 21 ILE HB 1 1 2 695 1 1 21 ILE HD11 H 11.374 -7.407 -5.326 1.00 . A A . 21 ILE HD11 1 1 2 696 1 1 21 ILE HD12 H 12.332 -8.516 -4.324 1.00 . A A . 21 ILE HD12 1 1 2 697 1 1 21 ILE HD13 H 13.004 -6.931 -4.794 1.00 . A A . 21 ILE HD13 1 1 2 698 1 1 21 ILE HG12 H 10.540 -7.341 -2.950 1.00 . A A . 21 ILE HG12 1 1 2 699 1 1 21 ILE HG13 H 11.140 -5.798 -3.520 1.00 . A A . 21 ILE HG13 1 1 2 700 1 1 21 ILE HG21 H 13.160 -8.793 -2.196 1.00 . A A . 21 ILE HG21 1 1 2 701 1 1 21 ILE HG22 H 13.413 -8.123 -0.586 1.00 . A A . 21 ILE HG22 1 1 2 702 1 1 21 ILE HG23 H 11.783 -8.638 -1.076 1.00 . A A . 21 ILE HG23 1 1 2 703 1 1 21 ILE N N 11.587 -4.378 -1.329 1.00 . A A . 21 ILE N 1 1 2 704 1 1 21 ILE O O 12.241 -5.774 1.552 1.00 . A A . 21 ILE O 1 1 3 705 1 1 1 TYR C C -13.098 -5.338 1.137 1.00 . A A . 1 TYR C 1 1 3 706 1 1 1 TYR CA C -14.055 -5.629 2.324 1.00 . A A . 1 TYR CA 1 1 3 707 1 1 1 TYR CB C -14.125 -4.409 3.291 1.00 . A A . 1 TYR CB 1 1 3 708 1 1 1 TYR CD1 C -16.534 -4.122 4.083 1.00 . A A . 1 TYR CD1 1 1 3 709 1 1 1 TYR CD2 C -14.901 -4.943 5.664 1.00 . A A . 1 TYR CD2 1 1 3 710 1 1 1 TYR CE1 C -17.524 -4.216 5.059 1.00 . A A . 1 TYR CE1 1 1 3 711 1 1 1 TYR CE2 C -15.893 -5.036 6.638 1.00 . A A . 1 TYR CE2 1 1 3 712 1 1 1 TYR CG C -15.215 -4.488 4.377 1.00 . A A . 1 TYR CG 1 1 3 713 1 1 1 TYR CZ C -17.203 -4.672 6.336 1.00 . A A . 1 TYR CZ 1 1 3 714 1 1 1 TYR H1 H -12.565 -6.951 3.265 1.00 . A A . 1 TYR H1 1 1 3 715 1 1 1 TYR HA H -15.078 -5.785 1.926 1.00 . A A . 1 TYR HA 1 1 3 716 1 1 1 TYR HB2 H -13.131 -4.247 3.762 1.00 . A A . 1 TYR HB2 1 1 3 717 1 1 1 TYR HB3 H -14.305 -3.491 2.693 1.00 . A A . 1 TYR HB3 1 1 3 718 1 1 1 TYR HD1 H -16.799 -3.773 3.095 1.00 . A A . 1 TYR HD1 1 1 3 719 1 1 1 TYR HD2 H -13.891 -5.236 5.911 1.00 . A A . 1 TYR HD2 1 1 3 720 1 1 1 TYR HE1 H -18.540 -3.934 4.821 1.00 . A A . 1 TYR HE1 1 1 3 721 1 1 1 TYR HE2 H -15.641 -5.393 7.626 1.00 . A A . 1 TYR HE2 1 1 3 722 1 1 1 TYR HH H -19.015 -4.477 6.922 1.00 . A A . 1 TYR HH 1 1 3 723 1 1 1 TYR N N -13.554 -6.856 3.009 1.00 . A A . 1 TYR N 1 1 3 724 1 1 1 TYR O O -11.932 -4.983 1.342 1.00 . A A . 1 TYR O 1 1 3 725 1 1 1 TYR OH O -18.179 -4.765 7.296 1.00 . A A . 1 TYR OH 1 1 3 726 1 1 2 ASP C C -12.993 -3.732 -1.748 1.00 . A A . 2 ASP C 1 1 3 727 1 1 2 ASP CA C -12.820 -5.224 -1.340 1.00 . A A . 2 ASP CA 1 1 3 728 1 1 2 ASP CB C -13.236 -6.215 -2.464 1.00 . A A . 2 ASP CB 1 1 3 729 1 1 2 ASP CG C -12.273 -6.246 -3.661 1.00 . A A . 2 ASP CG 1 1 3 730 1 1 2 ASP H H -14.603 -5.738 -0.112 1.00 . A A . 2 ASP H 1 1 3 731 1 1 2 ASP HA H -11.751 -5.439 -1.127 1.00 . A A . 2 ASP HA 1 1 3 732 1 1 2 ASP HB2 H -13.284 -7.245 -2.061 1.00 . A A . 2 ASP HB2 1 1 3 733 1 1 2 ASP HB3 H -14.260 -6.004 -2.833 1.00 . A A . 2 ASP HB3 1 1 3 734 1 1 2 ASP HD2 H -12.044 -5.399 -5.399 1.00 . A A . 2 ASP HD2 1 1 3 735 1 1 2 ASP N N -13.609 -5.482 -0.102 1.00 . A A . 2 ASP N 1 1 3 736 1 1 2 ASP O O -14.078 -3.316 -2.168 1.00 . A A . 2 ASP O 1 1 3 737 1 1 2 ASP OD1 O -11.279 -6.970 -3.712 1.00 . A A . 2 ASP OD1 1 1 3 738 1 1 2 ASP OD2 O -12.648 -5.376 -4.654 1.00 . A A . 2 ASP OD2 1 1 3 739 1 1 3 ASN C C -10.405 -1.270 -2.373 1.00 . A A . 3 ASN C 1 1 3 740 1 1 3 ASN CA C -11.880 -1.515 -1.968 1.00 . A A . 3 ASN CA 1 1 3 741 1 1 3 ASN CB C -12.314 -0.557 -0.820 1.00 . A A . 3 ASN CB 1 1 3 742 1 1 3 ASN CG C -13.810 -0.586 -0.451 1.00 . A A . 3 ASN CG 1 1 3 743 1 1 3 ASN H H -11.013 -3.408 -1.494 1.00 . A A . 3 ASN H 1 1 3 744 1 1 3 ASN HA H -12.538 -1.356 -2.841 1.00 . A A . 3 ASN HA 1 1 3 745 1 1 3 ASN HB2 H -11.685 -0.729 0.077 1.00 . A A . 3 ASN HB2 1 1 3 746 1 1 3 ASN HB3 H -12.082 0.483 -1.120 1.00 . A A . 3 ASN HB3 1 1 3 747 1 1 3 ASN HD21 H -13.399 -1.505 1.284 1.00 . A A . 3 ASN HD21 1 1 3 748 1 1 3 ASN HD22 H -15.161 -1.142 0.924 1.00 . A A . 3 ASN HD22 1 1 3 749 1 1 3 ASN N N -11.914 -2.942 -1.597 1.00 . A A . 3 ASN N 1 1 3 750 1 1 3 ASN ND2 N -14.159 -1.133 0.704 1.00 . A A . 3 ASN ND2 1 1 3 751 1 1 3 ASN O O -9.515 -1.213 -1.516 1.00 . A A . 3 ASN O 1 1 3 752 1 1 3 ASN OD1 O -14.663 -0.118 -1.205 1.00 . A A . 3 ASN OD1 1 1 3 753 1 1 4 ILE C C -7.998 0.346 -3.669 1.00 . A A . 4 ILE C 1 1 3 754 1 1 4 ILE CA C -8.792 -0.878 -4.256 1.00 . A A . 4 ILE CA 1 1 3 755 1 1 4 ILE CB C -8.847 -0.911 -5.827 1.00 . A A . 4 ILE CB 1 1 3 756 1 1 4 ILE CD1 C -6.682 -2.332 -6.239 1.00 . A A . 4 ILE CD1 1 1 3 757 1 1 4 ILE CG1 C -7.465 -1.043 -6.536 1.00 . A A . 4 ILE CG1 1 1 3 758 1 1 4 ILE CG2 C -9.610 0.289 -6.433 1.00 . A A . 4 ILE CG2 1 1 3 759 1 1 4 ILE H H -10.972 -1.274 -4.293 1.00 . A A . 4 ILE H 1 1 3 760 1 1 4 ILE HA H -8.212 -1.766 -3.968 1.00 . A A . 4 ILE HA 1 1 3 761 1 1 4 ILE HB H -9.419 -1.815 -6.116 1.00 . A A . 4 ILE HB 1 1 3 762 1 1 4 ILE HD11 H -7.272 -3.234 -6.484 1.00 . A A . 4 ILE HD11 1 1 3 763 1 1 4 ILE HD12 H -5.752 -2.377 -6.835 1.00 . A A . 4 ILE HD12 1 1 3 764 1 1 4 ILE HD13 H -6.386 -2.403 -5.177 1.00 . A A . 4 ILE HD13 1 1 3 765 1 1 4 ILE HG12 H -7.609 -0.999 -7.632 1.00 . A A . 4 ILE HG12 1 1 3 766 1 1 4 ILE HG13 H -6.826 -0.171 -6.299 1.00 . A A . 4 ILE HG13 1 1 3 767 1 1 4 ILE HG21 H -9.729 0.183 -7.526 1.00 . A A . 4 ILE HG21 1 1 3 768 1 1 4 ILE HG22 H -9.086 1.244 -6.244 1.00 . A A . 4 ILE HG22 1 1 3 769 1 1 4 ILE HG23 H -10.625 0.380 -6.006 1.00 . A A . 4 ILE HG23 1 1 3 770 1 1 4 ILE N N -10.157 -1.125 -3.690 1.00 . A A . 4 ILE N 1 1 3 771 1 1 4 ILE O O -6.767 0.291 -3.617 1.00 . A A . 4 ILE O 1 1 3 772 1 1 5 LEU C C -7.607 2.394 -1.145 1.00 . A A . 5 LEU C 1 1 3 773 1 1 5 LEU CA C -8.067 2.613 -2.614 1.00 . A A . 5 LEU CA 1 1 3 774 1 1 5 LEU CB C -8.992 3.865 -2.745 1.00 . A A . 5 LEU CB 1 1 3 775 1 1 5 LEU CD1 C -10.376 5.478 -4.150 1.00 . A A . 5 LEU CD1 1 1 3 776 1 1 5 LEU CD2 C -8.047 4.890 -4.925 1.00 . A A . 5 LEU CD2 1 1 3 777 1 1 5 LEU CG C -9.298 4.376 -4.183 1.00 . A A . 5 LEU CG 1 1 3 778 1 1 5 LEU H H -9.692 1.243 -3.147 1.00 . A A . 5 LEU H 1 1 3 779 1 1 5 LEU HA H -7.145 2.773 -3.187 1.00 . A A . 5 LEU HA 1 1 3 780 1 1 5 LEU HB2 H -9.951 3.653 -2.227 1.00 . A A . 5 LEU HB2 1 1 3 781 1 1 5 LEU HB3 H -8.566 4.708 -2.163 1.00 . A A . 5 LEU HB3 1 1 3 782 1 1 5 LEU HD11 H -10.044 6.369 -3.584 1.00 . A A . 5 LEU HD11 1 1 3 783 1 1 5 LEU HD12 H -11.311 5.120 -3.679 1.00 . A A . 5 LEU HD12 1 1 3 784 1 1 5 LEU HD13 H -10.645 5.818 -5.168 1.00 . A A . 5 LEU HD13 1 1 3 785 1 1 5 LEU HD21 H -8.294 5.259 -5.938 1.00 . A A . 5 LEU HD21 1 1 3 786 1 1 5 LEU HD22 H -7.293 4.093 -5.062 1.00 . A A . 5 LEU HD22 1 1 3 787 1 1 5 LEU HD23 H -7.554 5.720 -4.385 1.00 . A A . 5 LEU HD23 1 1 3 788 1 1 5 LEU HG H -9.716 3.537 -4.771 1.00 . A A . 5 LEU HG 1 1 3 789 1 1 5 LEU N N -8.692 1.416 -3.231 1.00 . A A . 5 LEU N 1 1 3 790 1 1 5 LEU O O -6.499 2.812 -0.798 1.00 . A A . 5 LEU O 1 1 3 791 1 1 6 VAL C C -6.847 0.481 1.210 1.00 . A A . 6 VAL C 1 1 3 792 1 1 6 VAL CA C -8.098 1.429 1.130 1.00 . A A . 6 VAL CA 1 1 3 793 1 1 6 VAL CB C -9.334 0.878 1.934 1.00 . A A . 6 VAL CB 1 1 3 794 1 1 6 VAL CG1 C -9.046 0.741 3.448 1.00 . A A . 6 VAL CG1 1 1 3 795 1 1 6 VAL CG2 C -10.616 1.720 1.767 1.00 . A A . 6 VAL CG2 1 1 3 796 1 1 6 VAL H H -9.346 1.509 -0.711 1.00 . A A . 6 VAL H 1 1 3 797 1 1 6 VAL HA H -7.804 2.384 1.605 1.00 . A A . 6 VAL HA 1 1 3 798 1 1 6 VAL HB H -9.595 -0.130 1.565 1.00 . A A . 6 VAL HB 1 1 3 799 1 1 6 VAL HG11 H -9.914 0.333 3.999 1.00 . A A . 6 VAL HG11 1 1 3 800 1 1 6 VAL HG12 H -8.203 0.053 3.645 1.00 . A A . 6 VAL HG12 1 1 3 801 1 1 6 VAL HG13 H -8.788 1.712 3.911 1.00 . A A . 6 VAL HG13 1 1 3 802 1 1 6 VAL HG21 H -10.936 1.748 0.709 1.00 . A A . 6 VAL HG21 1 1 3 803 1 1 6 VAL HG22 H -10.463 2.763 2.094 1.00 . A A . 6 VAL HG22 1 1 3 804 1 1 6 VAL HG23 H -11.460 1.291 2.335 1.00 . A A . 6 VAL HG23 1 1 3 805 1 1 6 VAL N N -8.440 1.753 -0.295 1.00 . A A . 6 VAL N 1 1 3 806 1 1 6 VAL O O -5.939 0.734 2.008 1.00 . A A . 6 VAL O 1 1 3 807 1 1 7 LYS C C -4.363 -0.903 -0.267 1.00 . A A . 7 LYS C 1 1 3 808 1 1 7 LYS CA C -5.677 -1.538 0.291 1.00 . A A . 7 LYS CA 1 1 3 809 1 1 7 LYS CB C -6.071 -2.807 -0.526 1.00 . A A . 7 LYS CB 1 1 3 810 1 1 7 LYS CD C -7.248 -4.189 1.349 1.00 . A A . 7 LYS CD 1 1 3 811 1 1 7 LYS CE C -8.500 -5.008 1.713 1.00 . A A . 7 LYS CE 1 1 3 812 1 1 7 LYS CG C -7.306 -3.638 -0.091 1.00 . A A . 7 LYS CG 1 1 3 813 1 1 7 LYS H H -7.632 -0.623 -0.243 1.00 . A A . 7 LYS H 1 1 3 814 1 1 7 LYS HA H -5.428 -1.850 1.319 1.00 . A A . 7 LYS HA 1 1 3 815 1 1 7 LYS HB2 H -6.221 -2.521 -1.585 1.00 . A A . 7 LYS HB2 1 1 3 816 1 1 7 LYS HB3 H -5.201 -3.492 -0.549 1.00 . A A . 7 LYS HB3 1 1 3 817 1 1 7 LYS HD2 H -6.340 -4.812 1.467 1.00 . A A . 7 LYS HD2 1 1 3 818 1 1 7 LYS HD3 H -7.138 -3.351 2.063 1.00 . A A . 7 LYS HD3 1 1 3 819 1 1 7 LYS HE2 H -9.404 -4.379 1.620 1.00 . A A . 7 LYS HE2 1 1 3 820 1 1 7 LYS HE3 H -8.632 -5.851 1.009 1.00 . A A . 7 LYS HE3 1 1 3 821 1 1 7 LYS HG2 H -8.238 -3.056 -0.238 1.00 . A A . 7 LYS HG2 1 1 3 822 1 1 7 LYS HG3 H -7.404 -4.489 -0.791 1.00 . A A . 7 LYS HG3 1 1 3 823 1 1 7 LYS HZ2 H -7.629 -6.180 3.172 1.00 . A A . 7 LYS HZ2 1 1 3 824 1 1 7 LYS HZ3 H -9.258 -6.099 3.293 1.00 . A A . 7 LYS HZ3 1 1 3 825 1 1 7 LYS N N -6.814 -0.579 0.375 1.00 . A A . 7 LYS N 1 1 3 826 1 1 7 LYS NZ N -8.424 -5.537 3.086 1.00 . A A . 7 LYS NZ 1 1 3 827 1 1 7 LYS O O -3.300 -1.126 0.320 1.00 . A A . 7 LYS O 1 1 3 828 1 1 8 MET C C -2.655 1.762 -1.120 1.00 . A A . 8 MET C 1 1 3 829 1 1 8 MET CA C -3.249 0.575 -1.947 1.00 . A A . 8 MET CA 1 1 3 830 1 1 8 MET CB C -3.492 0.965 -3.418 1.00 . A A . 8 MET CB 1 1 3 831 1 1 8 MET CE C -1.130 -1.139 -4.689 1.00 . A A . 8 MET CE 1 1 3 832 1 1 8 MET CG C -3.764 -0.179 -4.420 1.00 . A A . 8 MET CG 1 1 3 833 1 1 8 MET H H -5.366 0.032 -1.736 1.00 . A A . 8 MET H 1 1 3 834 1 1 8 MET HA H -2.453 -0.161 -2.013 1.00 . A A . 8 MET HA 1 1 3 835 1 1 8 MET HB2 H -4.312 1.686 -3.451 1.00 . A A . 8 MET HB2 1 1 3 836 1 1 8 MET HB3 H -2.608 1.518 -3.791 1.00 . A A . 8 MET HB3 1 1 3 837 1 1 8 MET HE1 H -0.403 -1.965 -4.586 1.00 . A A . 8 MET HE1 1 1 3 838 1 1 8 MET HE2 H -1.170 -0.848 -5.754 1.00 . A A . 8 MET HE2 1 1 3 839 1 1 8 MET HE3 H -0.751 -0.279 -4.107 1.00 . A A . 8 MET HE3 1 1 3 840 1 1 8 MET HG2 H -4.837 -0.464 -4.439 1.00 . A A . 8 MET HG2 1 1 3 841 1 1 8 MET HG3 H -3.538 0.182 -5.432 1.00 . A A . 8 MET HG3 1 1 3 842 1 1 8 MET N N -4.429 -0.115 -1.362 1.00 . A A . 8 MET N 1 1 3 843 1 1 8 MET O O -1.503 2.126 -1.380 1.00 . A A . 8 MET O 1 1 3 844 1 1 8 MET SD S -2.757 -1.652 -4.097 1.00 . A A . 8 MET SD 1 1 3 845 1 1 9 PHE C C -1.709 2.946 1.635 1.00 . A A . 9 PHE C 1 1 3 846 1 1 9 PHE CA C -2.860 3.458 0.713 1.00 . A A . 9 PHE CA 1 1 3 847 1 1 9 PHE CB C -4.034 4.149 1.469 1.00 . A A . 9 PHE CB 1 1 3 848 1 1 9 PHE CD1 C -3.516 6.642 1.667 1.00 . A A . 9 PHE CD1 1 1 3 849 1 1 9 PHE CD2 C -3.334 5.275 3.651 1.00 . A A . 9 PHE CD2 1 1 3 850 1 1 9 PHE CE1 C -3.109 7.755 2.400 1.00 . A A . 9 PHE CE1 1 1 3 851 1 1 9 PHE CE2 C -2.923 6.388 4.380 1.00 . A A . 9 PHE CE2 1 1 3 852 1 1 9 PHE CG C -3.631 5.393 2.287 1.00 . A A . 9 PHE CG 1 1 3 853 1 1 9 PHE CZ C -2.813 7.628 3.755 1.00 . A A . 9 PHE CZ 1 1 3 854 1 1 9 PHE H H -4.309 1.946 0.021 1.00 . A A . 9 PHE H 1 1 3 855 1 1 9 PHE HA H -2.426 4.220 0.043 1.00 . A A . 9 PHE HA 1 1 3 856 1 1 9 PHE HB2 H -4.816 4.444 0.741 1.00 . A A . 9 PHE HB2 1 1 3 857 1 1 9 PHE HB3 H -4.544 3.415 2.124 1.00 . A A . 9 PHE HB3 1 1 3 858 1 1 9 PHE HD1 H -3.732 6.754 0.614 1.00 . A A . 9 PHE HD1 1 1 3 859 1 1 9 PHE HD2 H -3.404 4.318 4.148 1.00 . A A . 9 PHE HD2 1 1 3 860 1 1 9 PHE HE1 H -3.018 8.717 1.916 1.00 . A A . 9 PHE HE1 1 1 3 861 1 1 9 PHE HE2 H -2.685 6.290 5.429 1.00 . A A . 9 PHE HE2 1 1 3 862 1 1 9 PHE HZ H -2.491 8.490 4.320 1.00 . A A . 9 PHE HZ 1 1 3 863 1 1 9 PHE N N -3.384 2.358 -0.145 1.00 . A A . 9 PHE N 1 1 3 864 1 1 9 PHE O O -0.587 3.441 1.517 1.00 . A A . 9 PHE O 1 1 3 865 1 1 10 LYS C C 0.160 0.530 2.690 1.00 . A A . 10 LYS C 1 1 3 866 1 1 10 LYS CA C -0.957 1.348 3.410 1.00 . A A . 10 LYS CA 1 1 3 867 1 1 10 LYS CB C -1.611 0.463 4.530 1.00 . A A . 10 LYS CB 1 1 3 868 1 1 10 LYS CD C -3.257 0.253 6.496 1.00 . A A . 10 LYS CD 1 1 3 869 1 1 10 LYS CE C -4.161 0.994 7.498 1.00 . A A . 10 LYS CE 1 1 3 870 1 1 10 LYS CG C -2.539 1.208 5.522 1.00 . A A . 10 LYS CG 1 1 3 871 1 1 10 LYS H H -2.982 1.712 2.506 1.00 . A A . 10 LYS H 1 1 3 872 1 1 10 LYS HA H -0.417 2.216 3.848 1.00 . A A . 10 LYS HA 1 1 3 873 1 1 10 LYS HB2 H -2.168 -0.373 4.061 1.00 . A A . 10 LYS HB2 1 1 3 874 1 1 10 LYS HB3 H -0.842 -0.074 5.132 1.00 . A A . 10 LYS HB3 1 1 3 875 1 1 10 LYS HD2 H -3.859 -0.474 5.916 1.00 . A A . 10 LYS HD2 1 1 3 876 1 1 10 LYS HD3 H -2.503 -0.345 7.044 1.00 . A A . 10 LYS HD3 1 1 3 877 1 1 10 LYS HE2 H -3.570 1.718 8.089 1.00 . A A . 10 LYS HE2 1 1 3 878 1 1 10 LYS HE3 H -4.930 1.583 6.964 1.00 . A A . 10 LYS HE3 1 1 3 879 1 1 10 LYS HG2 H -1.960 1.948 6.107 1.00 . A A . 10 LYS HG2 1 1 3 880 1 1 10 LYS HG3 H -3.297 1.789 4.964 1.00 . A A . 10 LYS HG3 1 1 3 881 1 1 10 LYS HZ2 H -5.439 -0.579 7.893 1.00 . A A . 10 LYS HZ2 1 1 3 882 1 1 10 LYS HZ3 H -5.448 0.570 9.056 1.00 . A A . 10 LYS HZ3 1 1 3 883 1 1 10 LYS N N -1.986 1.956 2.507 1.00 . A A . 10 LYS N 1 1 3 884 1 1 10 LYS NZ N -4.829 0.057 8.419 1.00 . A A . 10 LYS NZ 1 1 3 885 1 1 10 LYS O O 1.296 0.539 3.174 1.00 . A A . 10 LYS O 1 1 3 886 1 1 11 THR C C 1.973 0.001 0.180 1.00 . A A . 11 THR C 1 1 3 887 1 1 11 THR CA C 0.867 -0.932 0.776 1.00 . A A . 11 THR CA 1 1 3 888 1 1 11 THR CB C 0.137 -1.821 -0.279 1.00 . A A . 11 THR CB 1 1 3 889 1 1 11 THR CG2 C 1.067 -2.740 -1.085 1.00 . A A . 11 THR CG2 1 1 3 890 1 1 11 THR H H -1.107 -0.116 1.258 1.00 . A A . 11 THR H 1 1 3 891 1 1 11 THR HA H 1.352 -1.613 1.486 1.00 . A A . 11 THR HA 1 1 3 892 1 1 11 THR HB H -0.405 -1.172 -0.994 1.00 . A A . 11 THR HB 1 1 3 893 1 1 11 THR HG1 H -0.320 -3.228 0.954 1.00 . A A . 11 THR HG1 1 1 3 894 1 1 11 THR HG21 H 1.636 -3.421 -0.426 1.00 . A A . 11 THR HG21 1 1 3 895 1 1 11 THR HG22 H 1.797 -2.161 -1.679 1.00 . A A . 11 THR HG22 1 1 3 896 1 1 11 THR HG23 H 0.493 -3.364 -1.795 1.00 . A A . 11 THR HG23 1 1 3 897 1 1 11 THR N N -0.134 -0.162 1.565 1.00 . A A . 11 THR N 1 1 3 898 1 1 11 THR O O 3.158 -0.208 0.442 1.00 . A A . 11 THR O 1 1 3 899 1 1 11 THR OG1 O -0.820 -2.666 0.357 1.00 . A A . 11 THR OG1 1 1 3 900 1 1 12 ASN C C 3.177 2.974 -0.149 1.00 . A A . 12 ASN C 1 1 3 901 1 1 12 ASN CA C 2.469 2.035 -1.189 1.00 . A A . 12 ASN CA 1 1 3 902 1 1 12 ASN CB C 1.654 2.819 -2.264 1.00 . A A . 12 ASN CB 1 1 3 903 1 1 12 ASN CG C 2.515 3.646 -3.241 1.00 . A A . 12 ASN CG 1 1 3 904 1 1 12 ASN H H 0.558 1.040 -0.756 1.00 . A A . 12 ASN H 1 1 3 905 1 1 12 ASN HA H 3.254 1.452 -1.706 1.00 . A A . 12 ASN HA 1 1 3 906 1 1 12 ASN HB2 H 1.004 2.133 -2.849 1.00 . A A . 12 ASN HB2 1 1 3 907 1 1 12 ASN HB3 H 0.924 3.496 -1.774 1.00 . A A . 12 ASN HB3 1 1 3 908 1 1 12 ASN HD21 H 2.502 2.146 -4.573 1.00 . A A . 12 ASN HD21 1 1 3 909 1 1 12 ASN HD22 H 3.420 3.667 -5.031 1.00 . A A . 12 ASN HD22 1 1 3 910 1 1 12 ASN N N 1.563 1.029 -0.586 1.00 . A A . 12 ASN N 1 1 3 911 1 1 12 ASN ND2 N 2.847 3.097 -4.400 1.00 . A A . 12 ASN ND2 1 1 3 912 1 1 12 ASN O O 4.352 3.290 -0.343 1.00 . A A . 12 ASN O 1 1 3 913 1 1 12 ASN OD1 O 2.888 4.784 -2.958 1.00 . A A . 12 ASN OD1 1 1 3 914 1 1 13 GLU C C 4.220 3.600 2.835 1.00 . A A . 13 GLU C 1 1 3 915 1 1 13 GLU CA C 3.084 4.271 1.995 1.00 . A A . 13 GLU CA 1 1 3 916 1 1 13 GLU CB C 1.921 4.826 2.864 1.00 . A A . 13 GLU CB 1 1 3 917 1 1 13 GLU CD C 1.072 6.513 4.587 1.00 . A A . 13 GLU CD 1 1 3 918 1 1 13 GLU CG C 2.297 5.936 3.870 1.00 . A A . 13 GLU CG 1 1 3 919 1 1 13 GLU H H 1.523 3.098 1.014 1.00 . A A . 13 GLU H 1 1 3 920 1 1 13 GLU HA H 3.528 5.128 1.472 1.00 . A A . 13 GLU HA 1 1 3 921 1 1 13 GLU HB2 H 1.143 5.244 2.195 1.00 . A A . 13 GLU HB2 1 1 3 922 1 1 13 GLU HB3 H 1.428 3.994 3.405 1.00 . A A . 13 GLU HB3 1 1 3 923 1 1 13 GLU HE2 H 1.205 4.940 5.727 1.00 . A A . 13 GLU HE2 1 1 3 924 1 1 13 GLU HG2 H 3.013 5.550 4.619 1.00 . A A . 13 GLU HG2 1 1 3 925 1 1 13 GLU HG3 H 2.826 6.754 3.346 1.00 . A A . 13 GLU HG3 1 1 3 926 1 1 13 GLU N N 2.492 3.416 0.932 1.00 . A A . 13 GLU N 1 1 3 927 1 1 13 GLU O O 5.213 4.264 3.140 1.00 . A A . 13 GLU O 1 1 3 928 1 1 13 GLU OE1 O 0.531 7.568 4.259 1.00 . A A . 13 GLU OE1 1 1 3 929 1 1 13 GLU OE2 O 0.656 5.722 5.628 1.00 . A A . 13 GLU OE2 1 1 3 930 1 1 14 ASN C C 6.172 0.897 3.109 1.00 . A A . 14 ASN C 1 1 3 931 1 1 14 ASN CA C 5.058 1.548 3.988 1.00 . A A . 14 ASN CA 1 1 3 932 1 1 14 ASN CB C 4.294 0.546 4.905 1.00 . A A . 14 ASN CB 1 1 3 933 1 1 14 ASN CG C 5.161 -0.156 5.970 1.00 . A A . 14 ASN CG 1 1 3 934 1 1 14 ASN H H 3.153 1.927 2.978 1.00 . A A . 14 ASN H 1 1 3 935 1 1 14 ASN HA H 5.542 2.262 4.661 1.00 . A A . 14 ASN HA 1 1 3 936 1 1 14 ASN HB2 H 3.492 1.080 5.452 1.00 . A A . 14 ASN HB2 1 1 3 937 1 1 14 ASN HB3 H 3.751 -0.200 4.289 1.00 . A A . 14 ASN HB3 1 1 3 938 1 1 14 ASN HD21 H 5.168 -1.851 4.896 1.00 . A A . 14 ASN HD21 1 1 3 939 1 1 14 ASN HD22 H 6.084 -1.861 6.485 1.00 . A A . 14 ASN HD22 1 1 3 940 1 1 14 ASN N N 4.065 2.315 3.204 1.00 . A A . 14 ASN N 1 1 3 941 1 1 14 ASN ND2 N 5.505 -1.419 5.764 1.00 . A A . 14 ASN ND2 1 1 3 942 1 1 14 ASN O O 7.347 1.247 3.249 1.00 . A A . 14 ASN O 1 1 3 943 1 1 14 ASN OD1 O 5.528 0.434 6.986 1.00 . A A . 14 ASN OD1 1 1 3 944 1 1 15 ASN C C 7.364 0.062 0.159 1.00 . A A . 15 ASN C 1 1 3 945 1 1 15 ASN CA C 6.717 -0.761 1.309 1.00 . A A . 15 ASN CA 1 1 3 946 1 1 15 ASN CB C 6.025 -2.030 0.713 1.00 . A A . 15 ASN CB 1 1 3 947 1 1 15 ASN CG C 5.629 -3.119 1.733 1.00 . A A . 15 ASN CG 1 1 3 948 1 1 15 ASN H H 4.787 -0.211 2.206 1.00 . A A . 15 ASN H 1 1 3 949 1 1 15 ASN HA H 7.542 -1.100 1.961 1.00 . A A . 15 ASN HA 1 1 3 950 1 1 15 ASN HB2 H 5.152 -1.745 0.089 1.00 . A A . 15 ASN HB2 1 1 3 951 1 1 15 ASN HB3 H 6.697 -2.518 -0.019 1.00 . A A . 15 ASN HB3 1 1 3 952 1 1 15 ASN HD21 H 3.707 -2.549 1.642 1.00 . A A . 15 ASN HD21 1 1 3 953 1 1 15 ASN HD22 H 4.116 -3.946 2.760 1.00 . A A . 15 ASN HD22 1 1 3 954 1 1 15 ASN N N 5.790 -0.035 2.217 1.00 . A A . 15 ASN N 1 1 3 955 1 1 15 ASN ND2 N 4.354 -3.215 2.080 1.00 . A A . 15 ASN ND2 1 1 3 956 1 1 15 ASN O O 8.552 -0.138 -0.106 1.00 . A A . 15 ASN O 1 1 3 957 1 1 15 ASN OD1 O 6.470 -3.878 2.214 1.00 . A A . 15 ASN OD1 1 1 3 958 1 1 16 ASP C C 7.447 3.236 -1.184 1.00 . A A . 16 ASP C 1 1 3 959 1 1 16 ASP CA C 7.106 1.777 -1.641 1.00 . A A . 16 ASP CA 1 1 3 960 1 1 16 ASP CB C 6.104 1.664 -2.825 1.00 . A A . 16 ASP CB 1 1 3 961 1 1 16 ASP CG C 6.678 2.058 -4.193 1.00 . A A . 16 ASP CG 1 1 3 962 1 1 16 ASP H H 5.813 1.277 0.019 1.00 . A A . 16 ASP H 1 1 3 963 1 1 16 ASP HA H 8.043 1.325 -1.979 1.00 . A A . 16 ASP HA 1 1 3 964 1 1 16 ASP HB2 H 5.741 0.622 -2.929 1.00 . A A . 16 ASP HB2 1 1 3 965 1 1 16 ASP HB3 H 5.193 2.255 -2.619 1.00 . A A . 16 ASP HB3 1 1 3 966 1 1 16 ASP HD2 H 5.867 3.794 -3.851 1.00 . A A . 16 ASP HD2 1 1 3 967 1 1 16 ASP N N 6.598 0.940 -0.526 1.00 . A A . 16 ASP N 1 1 3 968 1 1 16 ASP O O 6.991 4.228 -1.761 1.00 . A A . 16 ASP O 1 1 3 969 1 1 16 ASP OD1 O 7.321 1.285 -4.902 1.00 . A A . 16 ASP OD1 1 1 3 970 1 1 16 ASP OD2 O 6.381 3.353 -4.531 1.00 . A A . 16 ASP OD2 1 1 3 971 1 1 17 LYS C C 10.270 4.265 0.843 1.00 . A A . 17 LYS C 1 1 3 972 1 1 17 LYS CA C 8.800 4.583 0.442 1.00 . A A . 17 LYS CA 1 1 3 973 1 1 17 LYS CB C 7.823 5.091 1.543 1.00 . A A . 17 LYS CB 1 1 3 974 1 1 17 LYS CD C 9.265 6.381 3.248 1.00 . A A . 17 LYS CD 1 1 3 975 1 1 17 LYS CE C 9.414 7.676 4.066 1.00 . A A . 17 LYS CE 1 1 3 976 1 1 17 LYS CG C 8.140 6.451 2.200 1.00 . A A . 17 LYS CG 1 1 3 977 1 1 17 LYS H H 8.420 2.477 0.389 1.00 . A A . 17 LYS H 1 1 3 978 1 1 17 LYS HA H 8.838 5.325 -0.358 1.00 . A A . 17 LYS HA 1 1 3 979 1 1 17 LYS HB2 H 6.818 5.184 1.087 1.00 . A A . 17 LYS HB2 1 1 3 980 1 1 17 LYS HB3 H 7.703 4.326 2.335 1.00 . A A . 17 LYS HB3 1 1 3 981 1 1 17 LYS HD2 H 9.076 5.517 3.916 1.00 . A A . 17 LYS HD2 1 1 3 982 1 1 17 LYS HD3 H 10.217 6.155 2.733 1.00 . A A . 17 LYS HD3 1 1 3 983 1 1 17 LYS HE2 H 9.619 8.533 3.398 1.00 . A A . 17 LYS HE2 1 1 3 984 1 1 17 LYS HE3 H 8.472 7.910 4.595 1.00 . A A . 17 LYS HE3 1 1 3 985 1 1 17 LYS HG2 H 8.373 7.207 1.426 1.00 . A A . 17 LYS HG2 1 1 3 986 1 1 17 LYS HG3 H 7.217 6.810 2.693 1.00 . A A . 17 LYS HG3 1 1 3 987 1 1 17 LYS HZ2 H 11.397 7.412 4.574 1.00 . A A . 17 LYS HZ2 1 1 3 988 1 1 17 LYS HZ3 H 10.609 8.449 5.561 1.00 . A A . 17 LYS HZ3 1 1 3 989 1 1 17 LYS N N 8.292 3.332 -0.144 1.00 . A A . 17 LYS N 1 1 3 990 1 1 17 LYS NZ N 10.503 7.564 5.053 1.00 . A A . 17 LYS NZ 1 1 3 991 1 1 17 LYS O O 11.193 4.765 0.193 1.00 . A A . 17 LYS O 1 1 3 992 1 1 18 SER C C 12.536 2.029 1.341 1.00 . A A . 18 SER C 1 1 3 993 1 1 18 SER CA C 11.846 3.018 2.339 1.00 . A A . 18 SER CA 1 1 3 994 1 1 18 SER CB C 11.802 2.446 3.789 1.00 . A A . 18 SER CB 1 1 3 995 1 1 18 SER H H 9.603 3.135 2.327 1.00 . A A . 18 SER H 1 1 3 996 1 1 18 SER HA H 12.486 3.923 2.326 1.00 . A A . 18 SER HA 1 1 3 997 1 1 18 SER HB2 H 11.241 3.070 4.522 1.00 . A A . 18 SER HB2 1 1 3 998 1 1 18 SER HB3 H 11.288 1.466 3.801 1.00 . A A . 18 SER HB3 1 1 3 999 1 1 18 SER HG H 13.028 1.895 5.165 1.00 . A A . 18 SER HG 1 1 3 1000 1 1 18 SER N N 10.483 3.439 1.893 1.00 . A A . 18 SER N 1 1 3 1001 1 1 18 SER O O 13.698 2.246 0.984 1.00 . A A . 18 SER O 1 1 3 1002 1 1 18 SER OG O 13.124 2.272 4.287 1.00 . A A . 18 SER OG 1 1 3 1003 1 1 19 GLU C C 11.660 0.349 -1.435 1.00 . A A . 19 GLU C 1 1 3 1004 1 1 19 GLU CA C 12.328 -0.025 -0.073 1.00 . A A . 19 GLU CA 1 1 3 1005 1 1 19 GLU CB C 12.115 -1.442 0.579 1.00 . A A . 19 GLU CB 1 1 3 1006 1 1 19 GLU CD C 12.549 -3.962 0.558 1.00 . A A . 19 GLU CD 1 1 3 1007 1 1 19 GLU CG C 12.813 -2.620 -0.130 1.00 . A A . 19 GLU CG 1 1 3 1008 1 1 19 GLU H H 10.854 0.950 1.194 1.00 . A A . 19 GLU H 1 1 3 1009 1 1 19 GLU HA H 13.402 0.097 -0.255 1.00 . A A . 19 GLU HA 1 1 3 1010 1 1 19 GLU HB2 H 12.477 -1.425 1.627 1.00 . A A . 19 GLU HB2 1 1 3 1011 1 1 19 GLU HB3 H 11.036 -1.690 0.644 1.00 . A A . 19 GLU HB3 1 1 3 1012 1 1 19 GLU HE2 H 14.136 -3.545 1.606 1.00 . A A . 19 GLU HE2 1 1 3 1013 1 1 19 GLU HG2 H 12.461 -2.703 -1.173 1.00 . A A . 19 GLU HG2 1 1 3 1014 1 1 19 GLU HG3 H 13.899 -2.435 -0.186 1.00 . A A . 19 GLU HG3 1 1 3 1015 1 1 19 GLU N N 11.830 0.966 0.905 1.00 . A A . 19 GLU N 1 1 3 1016 1 1 19 GLU O O 11.767 1.477 -1.930 1.00 . A A . 19 GLU O 1 1 3 1017 1 1 19 GLU OE1 O 11.607 -4.699 0.269 1.00 . A A . 19 GLU OE1 1 1 3 1018 1 1 19 GLU OE2 O 13.480 -4.241 1.527 1.00 . A A . 19 GLU OE2 1 1 3 1019 1 1 20 LEU C C 9.108 -1.582 -3.260 1.00 . A A . 20 LEU C 1 1 3 1020 1 1 20 LEU CA C 10.255 -0.527 -3.305 1.00 . A A . 20 LEU CA 1 1 3 1021 1 1 20 LEU CB C 11.211 -0.593 -4.547 1.00 . A A . 20 LEU CB 1 1 3 1022 1 1 20 LEU CD1 C 10.584 1.570 -5.805 1.00 . A A . 20 LEU CD1 1 1 3 1023 1 1 20 LEU CD2 C 11.485 -0.409 -7.075 1.00 . A A . 20 LEU CD2 1 1 3 1024 1 1 20 LEU CG C 10.648 0.027 -5.855 1.00 . A A . 20 LEU CG 1 1 3 1025 1 1 20 LEU H H 11.114 -1.467 -1.434 1.00 . A A . 20 LEU H 1 1 3 1026 1 1 20 LEU HA H 9.740 0.451 -3.299 1.00 . A A . 20 LEU HA 1 1 3 1027 1 1 20 LEU HB2 H 12.193 -0.114 -4.335 1.00 . A A . 20 LEU HB2 1 1 3 1028 1 1 20 LEU HB3 H 11.484 -1.651 -4.724 1.00 . A A . 20 LEU HB3 1 1 3 1029 1 1 20 LEU HD11 H 10.155 1.990 -6.734 1.00 . A A . 20 LEU HD11 1 1 3 1030 1 1 20 LEU HD12 H 11.584 2.023 -5.671 1.00 . A A . 20 LEU HD12 1 1 3 1031 1 1 20 LEU HD13 H 9.951 1.935 -4.977 1.00 . A A . 20 LEU HD13 1 1 3 1032 1 1 20 LEU HD21 H 11.521 -1.510 -7.175 1.00 . A A . 20 LEU HD21 1 1 3 1033 1 1 20 LEU HD22 H 12.531 -0.055 -7.011 1.00 . A A . 20 LEU HD22 1 1 3 1034 1 1 20 LEU HD23 H 11.064 -0.020 -8.020 1.00 . A A . 20 LEU HD23 1 1 3 1035 1 1 20 LEU HG H 9.620 -0.352 -6.010 1.00 . A A . 20 LEU HG 1 1 3 1036 1 1 20 LEU N N 11.008 -0.640 -2.028 1.00 . A A . 20 LEU N 1 1 3 1037 1 1 20 LEU O O 7.947 -1.204 -3.087 1.00 . A A . 20 LEU O 1 1 3 1038 1 1 21 ILE C C 8.941 -4.866 -2.132 1.00 . A A . 21 ILE C 1 1 3 1039 1 1 21 ILE CA C 8.445 -4.000 -3.330 1.00 . A A . 21 ILE CA 1 1 3 1040 1 1 21 ILE CB C 8.282 -4.811 -4.671 1.00 . A A . 21 ILE CB 1 1 3 1041 1 1 21 ILE CD1 C 9.065 -3.429 -6.739 1.00 . A A . 21 ILE CD1 1 1 3 1042 1 1 21 ILE CG1 C 7.881 -3.951 -5.912 1.00 . A A . 21 ILE CG1 1 1 3 1043 1 1 21 ILE CG2 C 7.237 -5.948 -4.515 1.00 . A A . 21 ILE CG2 1 1 3 1044 1 1 21 ILE H H 10.422 -3.036 -3.619 1.00 . A A . 21 ILE H 1 1 3 1045 1 1 21 ILE HA H 7.439 -3.599 -3.086 1.00 . A A . 21 ILE HA 1 1 3 1046 1 1 21 ILE HB H 9.244 -5.313 -4.894 1.00 . A A . 21 ILE HB 1 1 3 1047 1 1 21 ILE HD11 H 9.656 -4.258 -7.170 1.00 . A A . 21 ILE HD11 1 1 3 1048 1 1 21 ILE HD12 H 8.719 -2.801 -7.580 1.00 . A A . 21 ILE HD12 1 1 3 1049 1 1 21 ILE HD13 H 9.754 -2.815 -6.136 1.00 . A A . 21 ILE HD13 1 1 3 1050 1 1 21 ILE HG12 H 7.250 -4.527 -6.616 1.00 . A A . 21 ILE HG12 1 1 3 1051 1 1 21 ILE HG13 H 7.242 -3.103 -5.600 1.00 . A A . 21 ILE HG13 1 1 3 1052 1 1 21 ILE HG21 H 7.151 -6.557 -5.435 1.00 . A A . 21 ILE HG21 1 1 3 1053 1 1 21 ILE HG22 H 6.229 -5.556 -4.285 1.00 . A A . 21 ILE HG22 1 1 3 1054 1 1 21 ILE HG23 H 7.506 -6.653 -3.707 1.00 . A A . 21 ILE HG23 1 1 3 1055 1 1 21 ILE N N 9.432 -2.885 -3.403 1.00 . A A . 21 ILE N 1 1 3 1056 1 1 21 ILE O O 9.922 -5.607 -2.224 1.00 . A A . 21 ILE O 1 1 4 1057 1 1 1 TYR C C -13.912 -3.197 1.721 1.00 . A A . 1 TYR C 1 1 4 1058 1 1 1 TYR CA C -15.312 -3.520 2.318 1.00 . A A . 1 TYR CA 1 1 4 1059 1 1 1 TYR CB C -15.943 -2.254 3.016 1.00 . A A . 1 TYR CB 1 1 4 1060 1 1 1 TYR CD1 C -15.798 -2.309 5.572 1.00 . A A . 1 TYR CD1 1 1 4 1061 1 1 1 TYR CD2 C -14.313 -0.827 4.376 1.00 . A A . 1 TYR CD2 1 1 4 1062 1 1 1 TYR CE1 C -15.243 -1.889 6.779 1.00 . A A . 1 TYR CE1 1 1 4 1063 1 1 1 TYR CE2 C -13.758 -0.409 5.583 1.00 . A A . 1 TYR CE2 1 1 4 1064 1 1 1 TYR CG C -15.332 -1.787 4.359 1.00 . A A . 1 TYR CG 1 1 4 1065 1 1 1 TYR CZ C -14.224 -0.939 6.784 1.00 . A A . 1 TYR CZ 1 1 4 1066 1 1 1 TYR H1 H -14.306 -4.898 3.714 1.00 . A A . 1 TYR H1 1 1 4 1067 1 1 1 TYR HA H -15.967 -3.851 1.477 1.00 . A A . 1 TYR HA 1 1 4 1068 1 1 1 TYR HB2 H -15.940 -1.367 2.334 1.00 . A A . 1 TYR HB2 1 1 4 1069 1 1 1 TYR HB3 H -17.020 -2.464 3.178 1.00 . A A . 1 TYR HB3 1 1 4 1070 1 1 1 TYR HD1 H -16.587 -3.048 5.583 1.00 . A A . 1 TYR HD1 1 1 4 1071 1 1 1 TYR HD2 H -13.946 -0.402 3.452 1.00 . A A . 1 TYR HD2 1 1 4 1072 1 1 1 TYR HE1 H -15.607 -2.301 7.709 1.00 . A A . 1 TYR HE1 1 1 4 1073 1 1 1 TYR HE2 H -12.969 0.330 5.583 1.00 . A A . 1 TYR HE2 1 1 4 1074 1 1 1 TYR HH H -12.997 0.126 7.795 1.00 . A A . 1 TYR HH 1 1 4 1075 1 1 1 TYR N N -15.185 -4.701 3.223 1.00 . A A . 1 TYR N 1 1 4 1076 1 1 1 TYR O O -12.914 -3.109 2.447 1.00 . A A . 1 TYR O 1 1 4 1077 1 1 1 TYR OH O -13.678 -0.525 7.974 1.00 . A A . 1 TYR OH 1 1 4 1078 1 1 2 ASP C C -13.003 -1.810 -1.578 1.00 . A A . 2 ASP C 1 1 4 1079 1 1 2 ASP CA C -12.606 -2.651 -0.333 1.00 . A A . 2 ASP CA 1 1 4 1080 1 1 2 ASP CB C -11.793 -3.927 -0.693 1.00 . A A . 2 ASP CB 1 1 4 1081 1 1 2 ASP CG C -10.381 -3.653 -1.232 1.00 . A A . 2 ASP CG 1 1 4 1082 1 1 2 ASP H H -14.754 -3.107 -0.100 1.00 . A A . 2 ASP H 1 1 4 1083 1 1 2 ASP HA H -11.981 -2.033 0.340 1.00 . A A . 2 ASP HA 1 1 4 1084 1 1 2 ASP HB2 H -11.702 -4.579 0.197 1.00 . A A . 2 ASP HB2 1 1 4 1085 1 1 2 ASP HB3 H -12.345 -4.540 -1.432 1.00 . A A . 2 ASP HB3 1 1 4 1086 1 1 2 ASP HD2 H -8.543 -3.566 -0.597 1.00 . A A . 2 ASP HD2 1 1 4 1087 1 1 2 ASP N N -13.857 -3.008 0.388 1.00 . A A . 2 ASP N 1 1 4 1088 1 1 2 ASP O O -13.684 -2.313 -2.481 1.00 . A A . 2 ASP O 1 1 4 1089 1 1 2 ASP OD1 O -10.148 -3.393 -2.411 1.00 . A A . 2 ASP OD1 1 1 4 1090 1 1 2 ASP OD2 O -9.423 -3.737 -0.254 1.00 . A A . 2 ASP OD2 1 1 4 1091 1 1 3 ASN C C -11.784 1.508 -2.806 1.00 . A A . 3 ASN C 1 1 4 1092 1 1 3 ASN CA C -12.868 0.391 -2.739 1.00 . A A . 3 ASN CA 1 1 4 1093 1 1 3 ASN CB C -14.333 0.929 -2.727 1.00 . A A . 3 ASN CB 1 1 4 1094 1 1 3 ASN CG C -14.835 1.686 -1.474 1.00 . A A . 3 ASN CG 1 1 4 1095 1 1 3 ASN H H -11.915 -0.255 -0.892 1.00 . A A . 3 ASN H 1 1 4 1096 1 1 3 ASN HA H -12.783 -0.210 -3.661 1.00 . A A . 3 ASN HA 1 1 4 1097 1 1 3 ASN HB2 H -14.487 1.540 -3.636 1.00 . A A . 3 ASN HB2 1 1 4 1098 1 1 3 ASN HB3 H -15.011 0.067 -2.875 1.00 . A A . 3 ASN HB3 1 1 4 1099 1 1 3 ASN HD21 H -14.723 3.458 -2.424 1.00 . A A . 3 ASN HD21 1 1 4 1100 1 1 3 ASN HD22 H -15.317 3.467 -0.691 1.00 . A A . 3 ASN HD22 1 1 4 1101 1 1 3 ASN N N -12.572 -0.532 -1.619 1.00 . A A . 3 ASN N 1 1 4 1102 1 1 3 ASN ND2 N -14.979 3.002 -1.541 1.00 . A A . 3 ASN ND2 1 1 4 1103 1 1 3 ASN O O -11.872 2.510 -2.094 1.00 . A A . 3 ASN O 1 1 4 1104 1 1 3 ASN OD1 O -15.109 1.085 -0.436 1.00 . A A . 3 ASN OD1 1 1 4 1105 1 1 4 ILE C C -8.602 2.442 -2.839 1.00 . A A . 4 ILE C 1 1 4 1106 1 1 4 ILE CA C -9.613 2.162 -3.997 1.00 . A A . 4 ILE CA 1 1 4 1107 1 1 4 ILE CB C -10.031 3.358 -4.933 1.00 . A A . 4 ILE CB 1 1 4 1108 1 1 4 ILE CD1 C -7.669 4.487 -5.441 1.00 . A A . 4 ILE CD1 1 1 4 1109 1 1 4 ILE CG1 C -8.939 3.789 -5.961 1.00 . A A . 4 ILE CG1 1 1 4 1110 1 1 4 ILE CG2 C -10.629 4.595 -4.229 1.00 . A A . 4 ILE CG2 1 1 4 1111 1 1 4 ILE H H -10.892 0.418 -4.193 1.00 . A A . 4 ILE H 1 1 4 1112 1 1 4 ILE HA H -9.035 1.526 -4.685 1.00 . A A . 4 ILE HA 1 1 4 1113 1 1 4 ILE HB H -10.848 2.952 -5.563 1.00 . A A . 4 ILE HB 1 1 4 1114 1 1 4 ILE HD11 H -7.029 4.811 -6.282 1.00 . A A . 4 ILE HD11 1 1 4 1115 1 1 4 ILE HD12 H -7.054 3.822 -4.813 1.00 . A A . 4 ILE HD12 1 1 4 1116 1 1 4 ILE HD13 H -7.904 5.390 -4.848 1.00 . A A . 4 ILE HD13 1 1 4 1117 1 1 4 ILE HG12 H -8.629 2.905 -6.550 1.00 . A A . 4 ILE HG12 1 1 4 1118 1 1 4 ILE HG13 H -9.406 4.457 -6.709 1.00 . A A . 4 ILE HG13 1 1 4 1119 1 1 4 ILE HG21 H -10.915 5.372 -4.960 1.00 . A A . 4 ILE HG21 1 1 4 1120 1 1 4 ILE HG22 H -11.544 4.344 -3.670 1.00 . A A . 4 ILE HG22 1 1 4 1121 1 1 4 ILE HG23 H -9.916 5.053 -3.521 1.00 . A A . 4 ILE HG23 1 1 4 1122 1 1 4 ILE N N -10.772 1.276 -3.670 1.00 . A A . 4 ILE N 1 1 4 1123 1 1 4 ILE O O -7.420 2.108 -2.955 1.00 . A A . 4 ILE O 1 1 4 1124 1 1 5 LEU C C -7.874 2.214 0.403 1.00 . A A . 5 LEU C 1 1 4 1125 1 1 5 LEU CA C -8.273 3.379 -0.546 1.00 . A A . 5 LEU CA 1 1 4 1126 1 1 5 LEU CB C -9.001 4.540 0.210 1.00 . A A . 5 LEU CB 1 1 4 1127 1 1 5 LEU CD1 C -6.940 5.978 0.841 1.00 . A A . 5 LEU CD1 1 1 4 1128 1 1 5 LEU CD2 C -9.119 6.261 2.086 1.00 . A A . 5 LEU CD2 1 1 4 1129 1 1 5 LEU CG C -8.211 5.262 1.342 1.00 . A A . 5 LEU CG 1 1 4 1130 1 1 5 LEU H H -10.099 3.043 -1.744 1.00 . A A . 5 LEU H 1 1 4 1131 1 1 5 LEU HA H -7.329 3.753 -0.966 1.00 . A A . 5 LEU HA 1 1 4 1132 1 1 5 LEU HB2 H -9.343 5.313 -0.509 1.00 . A A . 5 LEU HB2 1 1 4 1133 1 1 5 LEU HB3 H -9.947 4.147 0.638 1.00 . A A . 5 LEU HB3 1 1 4 1134 1 1 5 LEU HD11 H -7.168 6.744 0.077 1.00 . A A . 5 LEU HD11 1 1 4 1135 1 1 5 LEU HD12 H -6.404 6.485 1.666 1.00 . A A . 5 LEU HD12 1 1 4 1136 1 1 5 LEU HD13 H -6.220 5.269 0.393 1.00 . A A . 5 LEU HD13 1 1 4 1137 1 1 5 LEU HD21 H -8.592 6.743 2.931 1.00 . A A . 5 LEU HD21 1 1 4 1138 1 1 5 LEU HD22 H -10.010 5.763 2.512 1.00 . A A . 5 LEU HD22 1 1 4 1139 1 1 5 LEU HD23 H -9.482 7.069 1.422 1.00 . A A . 5 LEU HD23 1 1 4 1140 1 1 5 LEU HG H -7.898 4.505 2.085 1.00 . A A . 5 LEU HG 1 1 4 1141 1 1 5 LEU N N -9.080 3.031 -1.739 1.00 . A A . 5 LEU N 1 1 4 1142 1 1 5 LEU O O -6.756 2.245 0.921 1.00 . A A . 5 LEU O 1 1 4 1143 1 1 6 VAL C C -7.204 -0.787 0.953 1.00 . A A . 6 VAL C 1 1 4 1144 1 1 6 VAL CA C -8.424 0.026 1.506 1.00 . A A . 6 VAL CA 1 1 4 1145 1 1 6 VAL CB C -9.688 -0.860 1.813 1.00 . A A . 6 VAL CB 1 1 4 1146 1 1 6 VAL CG1 C -9.416 -1.947 2.879 1.00 . A A . 6 VAL CG1 1 1 4 1147 1 1 6 VAL CG2 C -10.926 -0.051 2.252 1.00 . A A . 6 VAL CG2 1 1 4 1148 1 1 6 VAL H H -9.634 1.300 0.136 1.00 . A A . 6 VAL H 1 1 4 1149 1 1 6 VAL HA H -8.094 0.440 2.477 1.00 . A A . 6 VAL HA 1 1 4 1150 1 1 6 VAL HB H -10.000 -1.387 0.897 1.00 . A A . 6 VAL HB 1 1 4 1151 1 1 6 VAL HG11 H -8.610 -2.635 2.567 1.00 . A A . 6 VAL HG11 1 1 4 1152 1 1 6 VAL HG12 H -10.306 -2.578 3.064 1.00 . A A . 6 VAL HG12 1 1 4 1153 1 1 6 VAL HG13 H -9.115 -1.510 3.850 1.00 . A A . 6 VAL HG13 1 1 4 1154 1 1 6 VAL HG21 H -11.257 0.633 1.448 1.00 . A A . 6 VAL HG21 1 1 4 1155 1 1 6 VAL HG22 H -11.784 -0.710 2.468 1.00 . A A . 6 VAL HG22 1 1 4 1156 1 1 6 VAL HG23 H -10.717 0.559 3.148 1.00 . A A . 6 VAL HG23 1 1 4 1157 1 1 6 VAL N N -8.745 1.211 0.639 1.00 . A A . 6 VAL N 1 1 4 1158 1 1 6 VAL O O -6.273 -1.078 1.710 1.00 . A A . 6 VAL O 1 1 4 1159 1 1 7 LYS C C -4.816 -0.990 -1.266 1.00 . A A . 7 LYS C 1 1 4 1160 1 1 7 LYS CA C -6.100 -1.846 -1.022 1.00 . A A . 7 LYS CA 1 1 4 1161 1 1 7 LYS CB C -6.575 -2.587 -2.304 1.00 . A A . 7 LYS CB 1 1 4 1162 1 1 7 LYS CD C -7.617 -2.565 -4.661 1.00 . A A . 7 LYS CD 1 1 4 1163 1 1 7 LYS CE C -8.452 -1.810 -5.714 1.00 . A A . 7 LYS CE 1 1 4 1164 1 1 7 LYS CG C -7.302 -1.754 -3.386 1.00 . A A . 7 LYS CG 1 1 4 1165 1 1 7 LYS H H -8.050 -0.781 -0.844 1.00 . A A . 7 LYS H 1 1 4 1166 1 1 7 LYS HA H -5.783 -2.643 -0.330 1.00 . A A . 7 LYS HA 1 1 4 1167 1 1 7 LYS HB2 H -5.706 -3.098 -2.760 1.00 . A A . 7 LYS HB2 1 1 4 1168 1 1 7 LYS HB3 H -7.245 -3.414 -1.999 1.00 . A A . 7 LYS HB3 1 1 4 1169 1 1 7 LYS HD2 H -6.661 -2.867 -5.128 1.00 . A A . 7 LYS HD2 1 1 4 1170 1 1 7 LYS HD3 H -8.120 -3.516 -4.398 1.00 . A A . 7 LYS HD3 1 1 4 1171 1 1 7 LYS HE2 H -8.015 -0.815 -5.920 1.00 . A A . 7 LYS HE2 1 1 4 1172 1 1 7 LYS HE3 H -8.411 -2.359 -6.673 1.00 . A A . 7 LYS HE3 1 1 4 1173 1 1 7 LYS HG2 H -8.242 -1.368 -2.952 1.00 . A A . 7 LYS HG2 1 1 4 1174 1 1 7 LYS HG3 H -6.700 -0.867 -3.657 1.00 . A A . 7 LYS HG3 1 1 4 1175 1 1 7 LYS HZ2 H -10.286 -2.577 -5.149 1.00 . A A . 7 LYS HZ2 1 1 4 1176 1 1 7 LYS HZ3 H -9.938 -1.146 -4.440 1.00 . A A . 7 LYS HZ3 1 1 4 1177 1 1 7 LYS N N -7.216 -1.122 -0.351 1.00 . A A . 7 LYS N 1 1 4 1178 1 1 7 LYS NZ N -9.869 -1.657 -5.327 1.00 . A A . 7 LYS NZ 1 1 4 1179 1 1 7 LYS O O -3.717 -1.499 -1.031 1.00 . A A . 7 LYS O 1 1 4 1180 1 1 8 MET C C -3.025 1.740 -0.719 1.00 . A A . 8 MET C 1 1 4 1181 1 1 8 MET CA C -3.767 1.166 -1.971 1.00 . A A . 8 MET CA 1 1 4 1182 1 1 8 MET CB C -4.099 2.269 -2.997 1.00 . A A . 8 MET CB 1 1 4 1183 1 1 8 MET CE C -4.625 0.034 -6.519 1.00 . A A . 8 MET CE 1 1 4 1184 1 1 8 MET CG C -4.603 1.823 -4.387 1.00 . A A . 8 MET CG 1 1 4 1185 1 1 8 MET H H -5.887 0.615 -1.827 1.00 . A A . 8 MET H 1 1 4 1186 1 1 8 MET HA H -3.036 0.563 -2.500 1.00 . A A . 8 MET HA 1 1 4 1187 1 1 8 MET HB2 H -4.822 2.956 -2.550 1.00 . A A . 8 MET HB2 1 1 4 1188 1 1 8 MET HB3 H -3.192 2.880 -3.164 1.00 . A A . 8 MET HB3 1 1 4 1189 1 1 8 MET HE1 H -4.214 -0.857 -7.027 1.00 . A A . 8 MET HE1 1 1 4 1190 1 1 8 MET HE2 H -5.700 -0.143 -6.334 1.00 . A A . 8 MET HE2 1 1 4 1191 1 1 8 MET HE3 H -4.528 0.895 -7.205 1.00 . A A . 8 MET HE3 1 1 4 1192 1 1 8 MET HG2 H -5.700 1.657 -4.396 1.00 . A A . 8 MET HG2 1 1 4 1193 1 1 8 MET HG3 H -4.410 2.634 -5.102 1.00 . A A . 8 MET HG3 1 1 4 1194 1 1 8 MET N N -4.933 0.280 -1.710 1.00 . A A . 8 MET N 1 1 4 1195 1 1 8 MET O O -1.867 2.140 -0.868 1.00 . A A . 8 MET O 1 1 4 1196 1 1 8 MET SD S -3.750 0.339 -4.972 1.00 . A A . 8 MET SD 1 1 4 1197 1 1 9 PHE C C -1.819 1.320 2.174 1.00 . A A . 9 PHE C 1 1 4 1198 1 1 9 PHE CA C -2.976 2.271 1.731 1.00 . A A . 9 PHE CA 1 1 4 1199 1 1 9 PHE CB C -4.061 2.520 2.822 1.00 . A A . 9 PHE CB 1 1 4 1200 1 1 9 PHE CD1 C -3.306 4.464 4.296 1.00 . A A . 9 PHE CD1 1 1 4 1201 1 1 9 PHE CD2 C -3.294 2.239 5.239 1.00 . A A . 9 PHE CD2 1 1 4 1202 1 1 9 PHE CE1 C -2.821 4.973 5.499 1.00 . A A . 9 PHE CE1 1 1 4 1203 1 1 9 PHE CE2 C -2.806 2.750 6.439 1.00 . A A . 9 PHE CE2 1 1 4 1204 1 1 9 PHE CG C -3.545 3.092 4.157 1.00 . A A . 9 PHE CG 1 1 4 1205 1 1 9 PHE CZ C -2.571 4.117 6.568 1.00 . A A . 9 PHE CZ 1 1 4 1206 1 1 9 PHE H H -4.573 1.358 0.521 1.00 . A A . 9 PHE H 1 1 4 1207 1 1 9 PHE HA H -2.523 3.252 1.505 1.00 . A A . 9 PHE HA 1 1 4 1208 1 1 9 PHE HB2 H -4.825 3.215 2.422 1.00 . A A . 9 PHE HB2 1 1 4 1209 1 1 9 PHE HB3 H -4.624 1.584 3.009 1.00 . A A . 9 PHE HB3 1 1 4 1210 1 1 9 PHE HD1 H -3.490 5.139 3.473 1.00 . A A . 9 PHE HD1 1 1 4 1211 1 1 9 PHE HD2 H -3.466 1.175 5.151 1.00 . A A . 9 PHE HD2 1 1 4 1212 1 1 9 PHE HE1 H -2.637 6.033 5.602 1.00 . A A . 9 PHE HE1 1 1 4 1213 1 1 9 PHE HE2 H -2.610 2.086 7.268 1.00 . A A . 9 PHE HE2 1 1 4 1214 1 1 9 PHE HZ H -2.193 4.513 7.500 1.00 . A A . 9 PHE HZ 1 1 4 1215 1 1 9 PHE N N -3.640 1.785 0.487 1.00 . A A . 9 PHE N 1 1 4 1216 1 1 9 PHE O O -0.679 1.775 2.296 1.00 . A A . 9 PHE O 1 1 4 1217 1 1 10 LYS C C -0.091 -1.394 1.644 1.00 . A A . 10 LYS C 1 1 4 1218 1 1 10 LYS CA C -1.091 -0.996 2.771 1.00 . A A . 10 LYS CA 1 1 4 1219 1 1 10 LYS CB C -1.709 -2.265 3.434 1.00 . A A . 10 LYS CB 1 1 4 1220 1 1 10 LYS CD C -1.483 -1.449 5.932 1.00 . A A . 10 LYS CD 1 1 4 1221 1 1 10 LYS CE C -2.183 -1.304 7.298 1.00 . A A . 10 LYS CE 1 1 4 1222 1 1 10 LYS CG C -2.383 -1.992 4.795 1.00 . A A . 10 LYS CG 1 1 4 1223 1 1 10 LYS H H -3.120 -0.162 2.260 1.00 . A A . 10 LYS H 1 1 4 1224 1 1 10 LYS HA H -0.480 -0.504 3.548 1.00 . A A . 10 LYS HA 1 1 4 1225 1 1 10 LYS HB2 H -2.439 -2.743 2.751 1.00 . A A . 10 LYS HB2 1 1 4 1226 1 1 10 LYS HB3 H -0.965 -3.084 3.579 1.00 . A A . 10 LYS HB3 1 1 4 1227 1 1 10 LYS HD2 H -0.577 -2.077 6.035 1.00 . A A . 10 LYS HD2 1 1 4 1228 1 1 10 LYS HD3 H -1.111 -0.448 5.649 1.00 . A A . 10 LYS HD3 1 1 4 1229 1 1 10 LYS HE2 H -1.540 -0.714 7.976 1.00 . A A . 10 LYS HE2 1 1 4 1230 1 1 10 LYS HE3 H -3.118 -0.722 7.193 1.00 . A A . 10 LYS HE3 1 1 4 1231 1 1 10 LYS HG2 H -3.259 -1.330 4.660 1.00 . A A . 10 LYS HG2 1 1 4 1232 1 1 10 LYS HG3 H -2.782 -2.954 5.116 1.00 . A A . 10 LYS HG3 1 1 4 1233 1 1 10 LYS HZ2 H -3.075 -3.168 7.337 1.00 . A A . 10 LYS HZ2 1 1 4 1234 1 1 10 LYS HZ3 H -1.612 -3.136 8.066 1.00 . A A . 10 LYS HZ3 1 1 4 1235 1 1 10 LYS N N -2.119 0.024 2.389 1.00 . A A . 10 LYS N 1 1 4 1236 1 1 10 LYS NZ N -2.478 -2.597 7.946 1.00 . A A . 10 LYS NZ 1 1 4 1237 1 1 10 LYS O O 1.066 -1.682 1.964 1.00 . A A . 10 LYS O 1 1 4 1238 1 1 11 THR C C 1.514 -0.657 -0.961 1.00 . A A . 11 THR C 1 1 4 1239 1 1 11 THR CA C 0.385 -1.727 -0.795 1.00 . A A . 11 THR CA 1 1 4 1240 1 1 11 THR CB C -0.467 -1.974 -2.078 1.00 . A A . 11 THR CB 1 1 4 1241 1 1 11 THR CG2 C 0.351 -2.390 -3.312 1.00 . A A . 11 THR CG2 1 1 4 1242 1 1 11 THR H H -1.479 -1.152 0.193 1.00 . A A . 11 THR H 1 1 4 1243 1 1 11 THR HA H 0.867 -2.680 -0.548 1.00 . A A . 11 THR HA 1 1 4 1244 1 1 11 THR HB H -1.025 -1.052 -2.332 1.00 . A A . 11 THR HB 1 1 4 1245 1 1 11 THR HG1 H -1.917 -3.099 -2.662 1.00 . A A . 11 THR HG1 1 1 4 1246 1 1 11 THR HG21 H 0.933 -3.310 -3.121 1.00 . A A . 11 THR HG21 1 1 4 1247 1 1 11 THR HG22 H 1.061 -1.600 -3.615 1.00 . A A . 11 THR HG22 1 1 4 1248 1 1 11 THR HG23 H -0.308 -2.584 -4.178 1.00 . A A . 11 THR HG23 1 1 4 1249 1 1 11 THR N N -0.505 -1.411 0.354 1.00 . A A . 11 THR N 1 1 4 1250 1 1 11 THR O O 2.694 -1.013 -0.971 1.00 . A A . 11 THR O 1 1 4 1251 1 1 11 THR OG1 O -1.413 -3.016 -1.849 1.00 . A A . 11 THR OG1 1 1 4 1252 1 1 12 ASN C C 2.987 1.996 0.089 1.00 . A A . 12 ASN C 1 1 4 1253 1 1 12 ASN CA C 2.088 1.768 -1.175 1.00 . A A . 12 ASN CA 1 1 4 1254 1 1 12 ASN CB C 1.278 3.039 -1.575 1.00 . A A . 12 ASN CB 1 1 4 1255 1 1 12 ASN CG C 2.136 4.223 -2.067 1.00 . A A . 12 ASN CG 1 1 4 1256 1 1 12 ASN H H 0.131 0.768 -1.083 1.00 . A A . 12 ASN H 1 1 4 1257 1 1 12 ASN HA H 2.760 1.506 -2.016 1.00 . A A . 12 ASN HA 1 1 4 1258 1 1 12 ASN HB2 H 0.523 2.802 -2.355 1.00 . A A . 12 ASN HB2 1 1 4 1259 1 1 12 ASN HB3 H 0.658 3.382 -0.721 1.00 . A A . 12 ASN HB3 1 1 4 1260 1 1 12 ASN HD21 H 2.119 3.501 -3.939 1.00 . A A . 12 ASN HD21 1 1 4 1261 1 1 12 ASN HD22 H 3.036 5.064 -3.651 1.00 . A A . 12 ASN HD22 1 1 4 1262 1 1 12 ASN N N 1.140 0.632 -1.064 1.00 . A A . 12 ASN N 1 1 4 1263 1 1 12 ASN ND2 N 2.463 4.267 -3.350 1.00 . A A . 12 ASN ND2 1 1 4 1264 1 1 12 ASN O O 4.139 2.398 -0.080 1.00 . A A . 12 ASN O 1 1 4 1265 1 1 12 ASN OD1 O 2.513 5.103 -1.293 1.00 . A A . 12 ASN OD1 1 1 4 1266 1 1 13 GLU C C 4.414 0.827 2.710 1.00 . A A . 13 GLU C 1 1 4 1267 1 1 13 GLU CA C 3.288 1.900 2.575 1.00 . A A . 13 GLU CA 1 1 4 1268 1 1 13 GLU CB C 2.308 1.962 3.785 1.00 . A A . 13 GLU CB 1 1 4 1269 1 1 13 GLU CD C 3.703 1.354 5.896 1.00 . A A . 13 GLU CD 1 1 4 1270 1 1 13 GLU CG C 2.897 2.418 5.141 1.00 . A A . 13 GLU CG 1 1 4 1271 1 1 13 GLU H H 1.520 1.448 1.376 1.00 . A A . 13 GLU H 1 1 4 1272 1 1 13 GLU HA H 3.769 2.882 2.512 1.00 . A A . 13 GLU HA 1 1 4 1273 1 1 13 GLU HB2 H 1.504 2.684 3.544 1.00 . A A . 13 GLU HB2 1 1 4 1274 1 1 13 GLU HB3 H 1.787 0.992 3.908 1.00 . A A . 13 GLU HB3 1 1 4 1275 1 1 13 GLU HE2 H 5.235 2.500 5.538 1.00 . A A . 13 GLU HE2 1 1 4 1276 1 1 13 GLU HG2 H 3.496 3.338 5.002 1.00 . A A . 13 GLU HG2 1 1 4 1277 1 1 13 GLU HG3 H 2.063 2.725 5.800 1.00 . A A . 13 GLU HG3 1 1 4 1278 1 1 13 GLU N N 2.493 1.757 1.328 1.00 . A A . 13 GLU N 1 1 4 1279 1 1 13 GLU O O 5.576 1.180 2.915 1.00 . A A . 13 GLU O 1 1 4 1280 1 1 13 GLU OE1 O 3.202 0.337 6.375 1.00 . A A . 13 GLU OE1 1 1 4 1281 1 1 13 GLU OE2 O 5.037 1.667 5.971 1.00 . A A . 13 GLU OE2 1 1 4 1282 1 1 14 ASN C C 5.998 -1.726 1.485 1.00 . A A . 14 ASN C 1 1 4 1283 1 1 14 ASN CA C 5.025 -1.591 2.700 1.00 . A A . 14 ASN CA 1 1 4 1284 1 1 14 ASN CB C 4.222 -2.888 3.018 1.00 . A A . 14 ASN CB 1 1 4 1285 1 1 14 ASN CG C 5.074 -4.123 3.376 1.00 . A A . 14 ASN CG 1 1 4 1286 1 1 14 ASN H H 3.061 -0.613 2.507 1.00 . A A . 14 ASN H 1 1 4 1287 1 1 14 ASN HA H 5.636 -1.383 3.586 1.00 . A A . 14 ASN HA 1 1 4 1288 1 1 14 ASN HB2 H 3.506 -2.700 3.844 1.00 . A A . 14 ASN HB2 1 1 4 1289 1 1 14 ASN HB3 H 3.577 -3.150 2.157 1.00 . A A . 14 ASN HB3 1 1 4 1290 1 1 14 ASN HD21 H 5.142 -3.560 5.300 1.00 . A A . 14 ASN HD21 1 1 4 1291 1 1 14 ASN HD22 H 6.016 -5.109 4.848 1.00 . A A . 14 ASN HD22 1 1 4 1292 1 1 14 ASN N N 4.066 -0.466 2.593 1.00 . A A . 14 ASN N 1 1 4 1293 1 1 14 ASN ND2 N 5.448 -4.280 4.637 1.00 . A A . 14 ASN ND2 1 1 4 1294 1 1 14 ASN O O 7.217 -1.655 1.665 1.00 . A A . 14 ASN O 1 1 4 1295 1 1 14 ASN OD1 O 5.403 -4.941 2.517 1.00 . A A . 14 ASN OD1 1 1 4 1296 1 1 15 ASN C C 6.873 -0.785 -1.592 1.00 . A A . 15 ASN C 1 1 4 1297 1 1 15 ASN CA C 6.227 -2.062 -0.983 1.00 . A A . 15 ASN CA 1 1 4 1298 1 1 15 ASN CB C 5.372 -2.777 -2.081 1.00 . A A . 15 ASN CB 1 1 4 1299 1 1 15 ASN CG C 4.881 -4.201 -1.740 1.00 . A A . 15 ASN CG 1 1 4 1300 1 1 15 ASN H H 4.432 -1.970 0.281 1.00 . A A . 15 ASN H 1 1 4 1301 1 1 15 ASN HA H 7.063 -2.731 -0.714 1.00 . A A . 15 ASN HA 1 1 4 1302 1 1 15 ASN HB2 H 4.490 -2.160 -2.343 1.00 . A A . 15 ASN HB2 1 1 4 1303 1 1 15 ASN HB3 H 5.930 -2.822 -3.039 1.00 . A A . 15 ASN HB3 1 1 4 1304 1 1 15 ASN HD21 H 6.621 -4.984 -2.360 1.00 . A A . 15 ASN HD21 1 1 4 1305 1 1 15 ASN HD22 H 5.352 -6.151 -1.732 1.00 . A A . 15 ASN HD22 1 1 4 1306 1 1 15 ASN N N 5.448 -1.907 0.272 1.00 . A A . 15 ASN N 1 1 4 1307 1 1 15 ASN ND2 N 5.702 -5.216 -1.967 1.00 . A A . 15 ASN ND2 1 1 4 1308 1 1 15 ASN O O 7.953 -0.909 -2.175 1.00 . A A . 15 ASN O 1 1 4 1309 1 1 15 ASN OD1 O 3.761 -4.394 -1.269 1.00 . A A . 15 ASN OD1 1 1 4 1310 1 1 16 ASP C C 7.056 2.786 -1.006 1.00 . A A . 16 ASP C 1 1 4 1311 1 1 16 ASP CA C 6.771 1.669 -2.066 1.00 . A A . 16 ASP CA 1 1 4 1312 1 1 16 ASP CB C 5.864 2.156 -3.237 1.00 . A A . 16 ASP CB 1 1 4 1313 1 1 16 ASP CG C 5.821 1.248 -4.476 1.00 . A A . 16 ASP CG 1 1 4 1314 1 1 16 ASP H H 5.424 0.402 -0.891 1.00 . A A . 16 ASP H 1 1 4 1315 1 1 16 ASP HA H 7.757 1.447 -2.485 1.00 . A A . 16 ASP HA 1 1 4 1316 1 1 16 ASP HB2 H 4.832 2.323 -2.873 1.00 . A A . 16 ASP HB2 1 1 4 1317 1 1 16 ASP HB3 H 6.200 3.153 -3.581 1.00 . A A . 16 ASP HB3 1 1 4 1318 1 1 16 ASP HD2 H 7.549 2.034 -4.903 1.00 . A A . 16 ASP HD2 1 1 4 1319 1 1 16 ASP N N 6.229 0.398 -1.508 1.00 . A A . 16 ASP N 1 1 4 1320 1 1 16 ASP O O 6.758 3.964 -1.224 1.00 . A A . 16 ASP O 1 1 4 1321 1 1 16 ASP OD1 O 4.890 0.481 -4.722 1.00 . A A . 16 ASP OD1 1 1 4 1322 1 1 16 ASP OD2 O 6.935 1.389 -5.263 1.00 . A A . 16 ASP OD2 1 1 4 1323 1 1 17 LYS C C 9.152 2.585 2.101 1.00 . A A . 17 LYS C 1 1 4 1324 1 1 17 LYS CA C 8.090 3.311 1.225 1.00 . A A . 17 LYS CA 1 1 4 1325 1 1 17 LYS CB C 6.896 3.891 2.045 1.00 . A A . 17 LYS CB 1 1 4 1326 1 1 17 LYS CD C 6.740 6.228 1.001 1.00 . A A . 17 LYS CD 1 1 4 1327 1 1 17 LYS CE C 6.662 7.756 1.188 1.00 . A A . 17 LYS CE 1 1 4 1328 1 1 17 LYS CG C 6.949 5.411 2.295 1.00 . A A . 17 LYS CG 1 1 4 1329 1 1 17 LYS H H 7.788 1.411 0.243 1.00 . A A . 17 LYS H 1 1 4 1330 1 1 17 LYS HA H 8.621 4.132 0.734 1.00 . A A . 17 LYS HA 1 1 4 1331 1 1 17 LYS HB2 H 5.938 3.664 1.544 1.00 . A A . 17 LYS HB2 1 1 4 1332 1 1 17 LYS HB3 H 6.816 3.375 3.018 1.00 . A A . 17 LYS HB3 1 1 4 1333 1 1 17 LYS HD2 H 7.577 6.004 0.312 1.00 . A A . 17 LYS HD2 1 1 4 1334 1 1 17 LYS HD3 H 5.843 5.851 0.472 1.00 . A A . 17 LYS HD3 1 1 4 1335 1 1 17 LYS HE2 H 7.535 8.121 1.761 1.00 . A A . 17 LYS HE2 1 1 4 1336 1 1 17 LYS HE3 H 6.727 8.247 0.200 1.00 . A A . 17 LYS HE3 1 1 4 1337 1 1 17 LYS HG2 H 6.162 5.671 3.027 1.00 . A A . 17 LYS HG2 1 1 4 1338 1 1 17 LYS HG3 H 7.906 5.686 2.777 1.00 . A A . 17 LYS HG3 1 1 4 1339 1 1 17 LYS HZ2 H 5.334 7.760 2.771 1.00 . A A . 17 LYS HZ2 1 1 4 1340 1 1 17 LYS HZ3 H 4.603 7.879 1.314 1.00 . A A . 17 LYS HZ3 1 1 4 1341 1 1 17 LYS N N 7.686 2.410 0.122 1.00 . A A . 17 LYS N 1 1 4 1342 1 1 17 LYS NZ N 5.418 8.200 1.848 1.00 . A A . 17 LYS NZ 1 1 4 1343 1 1 17 LYS O O 10.265 3.098 2.250 1.00 . A A . 17 LYS O 1 1 4 1344 1 1 18 SER C C 10.869 -0.086 2.632 1.00 . A A . 18 SER C 1 1 4 1345 1 1 18 SER CA C 9.753 0.589 3.491 1.00 . A A . 18 SER CA 1 1 4 1346 1 1 18 SER CB C 8.974 -0.438 4.368 1.00 . A A . 18 SER CB 1 1 4 1347 1 1 18 SER H H 7.862 1.109 2.412 1.00 . A A . 18 SER H 1 1 4 1348 1 1 18 SER HA H 10.295 1.288 4.158 1.00 . A A . 18 SER HA 1 1 4 1349 1 1 18 SER HB2 H 8.097 -0.018 4.911 1.00 . A A . 18 SER HB2 1 1 4 1350 1 1 18 SER HB3 H 8.552 -1.245 3.738 1.00 . A A . 18 SER HB3 1 1 4 1351 1 1 18 SER HG H 9.315 -1.659 5.814 1.00 . A A . 18 SER HG 1 1 4 1352 1 1 18 SER N N 8.811 1.406 2.671 1.00 . A A . 18 SER N 1 1 4 1353 1 1 18 SER O O 12.051 0.099 2.940 1.00 . A A . 18 SER O 1 1 4 1354 1 1 18 SER OG O 9.845 -1.022 5.329 1.00 . A A . 18 SER OG 1 1 4 1355 1 1 19 GLU C C 11.244 -0.930 -0.779 1.00 . A A . 19 GLU C 1 1 4 1356 1 1 19 GLU CA C 11.457 -1.502 0.659 1.00 . A A . 19 GLU CA 1 1 4 1357 1 1 19 GLU CB C 11.277 -3.044 0.801 1.00 . A A . 19 GLU CB 1 1 4 1358 1 1 19 GLU CD C 12.173 -5.384 0.271 1.00 . A A . 19 GLU CD 1 1 4 1359 1 1 19 GLU CG C 12.290 -3.882 0.001 1.00 . A A . 19 GLU CG 1 1 4 1360 1 1 19 GLU H H 9.494 -0.890 1.425 1.00 . A A . 19 GLU H 1 1 4 1361 1 1 19 GLU HA H 12.497 -1.263 0.966 1.00 . A A . 19 GLU HA 1 1 4 1362 1 1 19 GLU HB2 H 11.366 -3.321 1.871 1.00 . A A . 19 GLU HB2 1 1 4 1363 1 1 19 GLU HB3 H 10.258 -3.357 0.499 1.00 . A A . 19 GLU HB3 1 1 4 1364 1 1 19 GLU HE2 H 10.810 -5.356 -1.119 1.00 . A A . 19 GLU HE2 1 1 4 1365 1 1 19 GLU HG2 H 12.152 -3.693 -1.080 1.00 . A A . 19 GLU HG2 1 1 4 1366 1 1 19 GLU HG3 H 13.314 -3.547 0.243 1.00 . A A . 19 GLU HG3 1 1 4 1367 1 1 19 GLU N N 10.500 -0.845 1.580 1.00 . A A . 19 GLU N 1 1 4 1368 1 1 19 GLU O O 10.659 -1.584 -1.648 1.00 . A A . 19 GLU O 1 1 4 1369 1 1 19 GLU OE1 O 12.849 -5.976 1.112 1.00 . A A . 19 GLU OE1 1 1 4 1370 1 1 19 GLU OE2 O 11.232 -5.984 -0.527 1.00 . A A . 19 GLU OE2 1 1 4 1371 1 1 20 LEU C C 12.868 0.509 -3.240 1.00 . A A . 20 LEU C 1 1 4 1372 1 1 20 LEU CA C 11.682 0.985 -2.342 1.00 . A A . 20 LEU CA 1 1 4 1373 1 1 20 LEU CB C 11.567 2.549 -2.163 1.00 . A A . 20 LEU CB 1 1 4 1374 1 1 20 LEU CD1 C 12.165 3.482 -4.532 1.00 . A A . 20 LEU CD1 1 1 4 1375 1 1 20 LEU CD2 C 9.736 3.092 -3.920 1.00 . A A . 20 LEU CD2 1 1 4 1376 1 1 20 LEU CG C 11.140 3.423 -3.382 1.00 . A A . 20 LEU CG 1 1 4 1377 1 1 20 LEU H H 12.180 0.714 -0.180 1.00 . A A . 20 LEU H 1 1 4 1378 1 1 20 LEU HA H 10.772 0.629 -2.865 1.00 . A A . 20 LEU HA 1 1 4 1379 1 1 20 LEU HB2 H 10.864 2.820 -1.341 1.00 . A A . 20 LEU HB2 1 1 4 1380 1 1 20 LEU HB3 H 12.538 2.936 -1.796 1.00 . A A . 20 LEU HB3 1 1 4 1381 1 1 20 LEU HD11 H 12.248 2.523 -5.075 1.00 . A A . 20 LEU HD11 1 1 4 1382 1 1 20 LEU HD12 H 11.892 4.250 -5.279 1.00 . A A . 20 LEU HD12 1 1 4 1383 1 1 20 LEU HD13 H 13.173 3.743 -4.163 1.00 . A A . 20 LEU HD13 1 1 4 1384 1 1 20 LEU HD21 H 9.671 2.068 -4.332 1.00 . A A . 20 LEU HD21 1 1 4 1385 1 1 20 LEU HD22 H 8.975 3.182 -3.127 1.00 . A A . 20 LEU HD22 1 1 4 1386 1 1 20 LEU HD23 H 9.431 3.786 -4.725 1.00 . A A . 20 LEU HD23 1 1 4 1387 1 1 20 LEU HG H 11.078 4.458 -2.995 1.00 . A A . 20 LEU HG 1 1 4 1388 1 1 20 LEU N N 11.749 0.300 -1.013 1.00 . A A . 20 LEU N 1 1 4 1389 1 1 20 LEU O O 12.627 -0.170 -4.243 1.00 . A A . 20 LEU O 1 1 4 1390 1 1 21 ILE C C 16.455 0.121 -2.583 1.00 . A A . 21 ILE C 1 1 4 1391 1 1 21 ILE CA C 15.340 0.433 -3.627 1.00 . A A . 21 ILE CA 1 1 4 1392 1 1 21 ILE CB C 15.743 1.458 -4.754 1.00 . A A . 21 ILE CB 1 1 4 1393 1 1 21 ILE CD1 C 16.427 -0.284 -6.587 1.00 . A A . 21 ILE CD1 1 1 4 1394 1 1 21 ILE CG1 C 16.832 0.928 -5.733 1.00 . A A . 21 ILE CG1 1 1 4 1395 1 1 21 ILE CG2 C 16.174 2.856 -4.237 1.00 . A A . 21 ILE CG2 1 1 4 1396 1 1 21 ILE H H 14.151 1.416 -2.024 1.00 . A A . 21 ILE H 1 1 4 1397 1 1 21 ILE HA H 15.092 -0.516 -4.143 1.00 . A A . 21 ILE HA 1 1 4 1398 1 1 21 ILE HB H 14.836 1.631 -5.366 1.00 . A A . 21 ILE HB 1 1 4 1399 1 1 21 ILE HD11 H 15.509 -0.086 -7.170 1.00 . A A . 21 ILE HD11 1 1 4 1400 1 1 21 ILE HD12 H 16.247 -1.184 -5.972 1.00 . A A . 21 ILE HD12 1 1 4 1401 1 1 21 ILE HD13 H 17.223 -0.543 -7.309 1.00 . A A . 21 ILE HD13 1 1 4 1402 1 1 21 ILE HG12 H 17.120 1.734 -6.436 1.00 . A A . 21 ILE HG12 1 1 4 1403 1 1 21 ILE HG13 H 17.759 0.688 -5.179 1.00 . A A . 21 ILE HG13 1 1 4 1404 1 1 21 ILE HG21 H 15.429 3.291 -3.547 1.00 . A A . 21 ILE HG21 1 1 4 1405 1 1 21 ILE HG22 H 17.138 2.822 -3.696 1.00 . A A . 21 ILE HG22 1 1 4 1406 1 1 21 ILE HG23 H 16.295 3.578 -5.067 1.00 . A A . 21 ILE HG23 1 1 4 1407 1 1 21 ILE N N 14.119 0.859 -2.883 1.00 . A A . 21 ILE N 1 1 4 1408 1 1 21 ILE O O 16.857 0.962 -1.777 1.00 . A A . 21 ILE O 1 1 5 1409 1 1 1 TYR C C -13.416 -6.177 1.606 1.00 . A A . 1 TYR C 1 1 5 1410 1 1 1 TYR CA C -14.597 -6.667 2.486 1.00 . A A . 1 TYR CA 1 1 5 1411 1 1 1 TYR CB C -14.361 -6.314 3.986 1.00 . A A . 1 TYR CB 1 1 5 1412 1 1 1 TYR CD1 C -16.610 -5.620 4.973 1.00 . A A . 1 TYR CD1 1 1 5 1413 1 1 1 TYR CD2 C -15.634 -7.704 5.708 1.00 . A A . 1 TYR CD2 1 1 5 1414 1 1 1 TYR CE1 C -17.708 -5.844 5.800 1.00 . A A . 1 TYR CE1 1 1 5 1415 1 1 1 TYR CE2 C -16.734 -7.927 6.533 1.00 . A A . 1 TYR CE2 1 1 5 1416 1 1 1 TYR CG C -15.565 -6.550 4.918 1.00 . A A . 1 TYR CG 1 1 5 1417 1 1 1 TYR CZ C -17.770 -6.996 6.581 1.00 . A A . 1 TYR CZ 1 1 5 1418 1 1 1 TYR H1 H -13.928 -8.751 2.176 1.00 . A A . 1 TYR H1 1 1 5 1419 1 1 1 TYR HA H -15.523 -6.142 2.168 1.00 . A A . 1 TYR HA 1 1 5 1420 1 1 1 TYR HB2 H -13.473 -6.865 4.363 1.00 . A A . 1 TYR HB2 1 1 5 1421 1 1 1 TYR HB3 H -14.079 -5.242 4.059 1.00 . A A . 1 TYR HB3 1 1 5 1422 1 1 1 TYR HD1 H -16.579 -4.724 4.369 1.00 . A A . 1 TYR HD1 1 1 5 1423 1 1 1 TYR HD2 H -14.842 -8.438 5.676 1.00 . A A . 1 TYR HD2 1 1 5 1424 1 1 1 TYR HE1 H -18.511 -5.121 5.833 1.00 . A A . 1 TYR HE1 1 1 5 1425 1 1 1 TYR HE2 H -16.780 -8.823 7.135 1.00 . A A . 1 TYR HE2 1 1 5 1426 1 1 1 TYR HH H -19.466 -6.483 7.304 1.00 . A A . 1 TYR HH 1 1 5 1427 1 1 1 TYR N N -14.742 -8.132 2.263 1.00 . A A . 1 TYR N 1 1 5 1428 1 1 1 TYR O O -12.254 -6.509 1.868 1.00 . A A . 1 TYR O 1 1 5 1429 1 1 1 TYR OH O -18.853 -7.217 7.394 1.00 . A A . 1 TYR OH 1 1 5 1430 1 1 2 ASP C C -13.165 -3.405 -0.817 1.00 . A A . 2 ASP C 1 1 5 1431 1 1 2 ASP CA C -12.719 -4.829 -0.374 1.00 . A A . 2 ASP CA 1 1 5 1432 1 1 2 ASP CB C -12.495 -5.784 -1.579 1.00 . A A . 2 ASP CB 1 1 5 1433 1 1 2 ASP CG C -11.252 -5.448 -2.420 1.00 . A A . 2 ASP CG 1 1 5 1434 1 1 2 ASP H H -14.734 -5.193 0.453 1.00 . A A . 2 ASP H 1 1 5 1435 1 1 2 ASP HA H -11.754 -4.753 0.166 1.00 . A A . 2 ASP HA 1 1 5 1436 1 1 2 ASP HB2 H -12.370 -6.823 -1.216 1.00 . A A . 2 ASP HB2 1 1 5 1437 1 1 2 ASP HB3 H -13.394 -5.815 -2.226 1.00 . A A . 2 ASP HB3 1 1 5 1438 1 1 2 ASP HD2 H -10.775 -4.451 -4.022 1.00 . A A . 2 ASP HD2 1 1 5 1439 1 1 2 ASP N N -13.732 -5.389 0.559 1.00 . A A . 2 ASP N 1 1 5 1440 1 1 2 ASP O O -14.319 -3.179 -1.198 1.00 . A A . 2 ASP O 1 1 5 1441 1 1 2 ASP OD1 O -10.120 -5.839 -2.140 1.00 . A A . 2 ASP OD1 1 1 5 1442 1 1 2 ASP OD2 O -11.554 -4.661 -3.502 1.00 . A A . 2 ASP OD2 1 1 5 1443 1 1 3 ASN C C -11.033 -0.659 -1.750 1.00 . A A . 3 ASN C 1 1 5 1444 1 1 3 ASN CA C -12.417 -1.054 -1.179 1.00 . A A . 3 ASN CA 1 1 5 1445 1 1 3 ASN CB C -12.853 -0.108 -0.023 1.00 . A A . 3 ASN CB 1 1 5 1446 1 1 3 ASN CG C -14.288 -0.314 0.498 1.00 . A A . 3 ASN CG 1 1 5 1447 1 1 3 ASN H H -11.251 -2.782 -0.726 1.00 . A A . 3 ASN H 1 1 5 1448 1 1 3 ASN HA H -13.174 -1.022 -1.981 1.00 . A A . 3 ASN HA 1 1 5 1449 1 1 3 ASN HB2 H -12.154 -0.207 0.829 1.00 . A A . 3 ASN HB2 1 1 5 1450 1 1 3 ASN HB3 H -12.736 0.945 -0.347 1.00 . A A . 3 ASN HB3 1 1 5 1451 1 1 3 ASN HD21 H -15.012 0.916 -0.912 1.00 . A A . 3 ASN HD21 1 1 5 1452 1 1 3 ASN HD22 H -16.220 0.167 0.248 1.00 . A A . 3 ASN HD22 1 1 5 1453 1 1 3 ASN N N -12.215 -2.454 -0.762 1.00 . A A . 3 ASN N 1 1 5 1454 1 1 3 ASN ND2 N -15.274 0.321 -0.119 1.00 . A A . 3 ASN ND2 1 1 5 1455 1 1 3 ASN O O -10.067 -0.496 -0.997 1.00 . A A . 3 ASN O 1 1 5 1456 1 1 3 ASN OD1 O -14.520 -1.049 1.457 1.00 . A A . 3 ASN OD1 1 1 5 1457 1 1 4 ILE C C -8.840 1.054 -3.247 1.00 . A A . 4 ILE C 1 1 5 1458 1 1 4 ILE CA C -9.703 -0.127 -3.824 1.00 . A A . 4 ILE CA 1 1 5 1459 1 1 4 ILE CB C -10.010 -0.006 -5.362 1.00 . A A . 4 ILE CB 1 1 5 1460 1 1 4 ILE CD1 C -7.925 -1.308 -6.271 1.00 . A A . 4 ILE CD1 1 1 5 1461 1 1 4 ILE CG1 C -8.757 -0.015 -6.290 1.00 . A A . 4 ILE CG1 1 1 5 1462 1 1 4 ILE CG2 C -10.888 1.217 -5.711 1.00 . A A . 4 ILE CG2 1 1 5 1463 1 1 4 ILE H H -11.817 -0.760 -3.577 1.00 . A A . 4 ILE H 1 1 5 1464 1 1 4 ILE HA H -9.061 -1.015 -3.728 1.00 . A A . 4 ILE HA 1 1 5 1465 1 1 4 ILE HB H -10.601 -0.897 -5.650 1.00 . A A . 4 ILE HB 1 1 5 1466 1 1 4 ILE HD11 H -7.098 -1.256 -7.003 1.00 . A A . 4 ILE HD11 1 1 5 1467 1 1 4 ILE HD12 H -8.537 -2.191 -6.530 1.00 . A A . 4 ILE HD12 1 1 5 1468 1 1 4 ILE HD13 H -7.468 -1.494 -5.283 1.00 . A A . 4 ILE HD13 1 1 5 1469 1 1 4 ILE HG12 H -9.074 0.149 -7.337 1.00 . A A . 4 ILE HG12 1 1 5 1470 1 1 4 ILE HG13 H -8.099 0.843 -6.056 1.00 . A A . 4 ILE HG13 1 1 5 1471 1 1 4 ILE HG21 H -11.183 1.212 -6.776 1.00 . A A . 4 ILE HG21 1 1 5 1472 1 1 4 ILE HG22 H -10.361 2.168 -5.513 1.00 . A A . 4 ILE HG22 1 1 5 1473 1 1 4 ILE HG23 H -11.820 1.227 -5.118 1.00 . A A . 4 ILE HG23 1 1 5 1474 1 1 4 ILE N N -10.955 -0.503 -3.086 1.00 . A A . 4 ILE N 1 1 5 1475 1 1 4 ILE O O -7.613 1.004 -3.361 1.00 . A A . 4 ILE O 1 1 5 1476 1 1 5 LEU C C -8.092 2.844 -0.660 1.00 . A A . 5 LEU C 1 1 5 1477 1 1 5 LEU CA C -8.757 3.230 -2.013 1.00 . A A . 5 LEU CA 1 1 5 1478 1 1 5 LEU CB C -9.732 4.453 -1.939 1.00 . A A . 5 LEU CB 1 1 5 1479 1 1 5 LEU CD1 C -8.690 6.120 -0.230 1.00 . A A . 5 LEU CD1 1 1 5 1480 1 1 5 LEU CD2 C -8.082 6.306 -2.692 1.00 . A A . 5 LEU CD2 1 1 5 1481 1 1 5 LEU CG C -9.161 5.878 -1.678 1.00 . A A . 5 LEU CG 1 1 5 1482 1 1 5 LEU H H -10.459 1.928 -2.475 1.00 . A A . 5 LEU H 1 1 5 1483 1 1 5 LEU HA H -7.933 3.453 -2.702 1.00 . A A . 5 LEU HA 1 1 5 1484 1 1 5 LEU HB2 H -10.297 4.524 -2.891 1.00 . A A . 5 LEU HB2 1 1 5 1485 1 1 5 LEU HB3 H -10.529 4.251 -1.194 1.00 . A A . 5 LEU HB3 1 1 5 1486 1 1 5 LEU HD11 H -9.456 5.812 0.506 1.00 . A A . 5 LEU HD11 1 1 5 1487 1 1 5 LEU HD12 H -7.761 5.575 0.012 1.00 . A A . 5 LEU HD12 1 1 5 1488 1 1 5 LEU HD13 H -8.487 7.192 -0.046 1.00 . A A . 5 LEU HD13 1 1 5 1489 1 1 5 LEU HD21 H -7.802 7.368 -2.565 1.00 . A A . 5 LEU HD21 1 1 5 1490 1 1 5 LEU HD22 H -8.435 6.192 -3.734 1.00 . A A . 5 LEU HD22 1 1 5 1491 1 1 5 LEU HD23 H -7.155 5.711 -2.592 1.00 . A A . 5 LEU HD23 1 1 5 1492 1 1 5 LEU HG H -10.012 6.569 -1.828 1.00 . A A . 5 LEU HG 1 1 5 1493 1 1 5 LEU N N -9.465 2.084 -2.640 1.00 . A A . 5 LEU N 1 1 5 1494 1 1 5 LEU O O -6.910 3.142 -0.469 1.00 . A A . 5 LEU O 1 1 5 1495 1 1 6 VAL C C -7.112 0.710 1.392 1.00 . A A . 6 VAL C 1 1 5 1496 1 1 6 VAL CA C -8.314 1.707 1.579 1.00 . A A . 6 VAL CA 1 1 5 1497 1 1 6 VAL CB C -9.456 1.109 2.484 1.00 . A A . 6 VAL CB 1 1 5 1498 1 1 6 VAL CG1 C -8.975 0.803 3.923 1.00 . A A . 6 VAL CG1 1 1 5 1499 1 1 6 VAL CG2 C -10.716 1.995 2.578 1.00 . A A . 6 VAL CG2 1 1 5 1500 1 1 6 VAL H H -9.806 2.034 -0.039 1.00 . A A . 6 VAL H 1 1 5 1501 1 1 6 VAL HA H -7.916 2.597 2.101 1.00 . A A . 6 VAL HA 1 1 5 1502 1 1 6 VAL HB H -9.803 0.152 2.055 1.00 . A A . 6 VAL HB 1 1 5 1503 1 1 6 VAL HG11 H -8.617 1.712 4.442 1.00 . A A . 6 VAL HG11 1 1 5 1504 1 1 6 VAL HG12 H -9.779 0.363 4.543 1.00 . A A . 6 VAL HG12 1 1 5 1505 1 1 6 VAL HG13 H -8.145 0.074 3.932 1.00 . A A . 6 VAL HG13 1 1 5 1506 1 1 6 VAL HG21 H -11.180 2.129 1.583 1.00 . A A . 6 VAL HG21 1 1 5 1507 1 1 6 VAL HG22 H -11.488 1.536 3.220 1.00 . A A . 6 VAL HG22 1 1 5 1508 1 1 6 VAL HG23 H -10.479 2.998 2.973 1.00 . A A . 6 VAL HG23 1 1 5 1509 1 1 6 VAL N N -8.836 2.189 0.257 1.00 . A A . 6 VAL N 1 1 5 1510 1 1 6 VAL O O -6.097 0.838 2.084 1.00 . A A . 6 VAL O 1 1 5 1511 1 1 7 LYS C C -4.917 -0.590 -0.541 1.00 . A A . 7 LYS C 1 1 5 1512 1 1 7 LYS CA C -6.180 -1.236 0.111 1.00 . A A . 7 LYS CA 1 1 5 1513 1 1 7 LYS CB C -6.746 -2.388 -0.777 1.00 . A A . 7 LYS CB 1 1 5 1514 1 1 7 LYS CD C -7.776 -3.920 1.078 1.00 . A A . 7 LYS CD 1 1 5 1515 1 1 7 LYS CE C -9.035 -4.633 1.611 1.00 . A A . 7 LYS CE 1 1 5 1516 1 1 7 LYS CG C -7.970 -3.202 -0.276 1.00 . A A . 7 LYS CG 1 1 5 1517 1 1 7 LYS H H -8.131 -0.187 -0.056 1.00 . A A . 7 LYS H 1 1 5 1518 1 1 7 LYS HA H -5.817 -1.674 1.057 1.00 . A A . 7 LYS HA 1 1 5 1519 1 1 7 LYS HB2 H -7.008 -1.979 -1.772 1.00 . A A . 7 LYS HB2 1 1 5 1520 1 1 7 LYS HB3 H -5.930 -3.107 -0.982 1.00 . A A . 7 LYS HB3 1 1 5 1521 1 1 7 LYS HD2 H -6.969 -4.668 0.965 1.00 . A A . 7 LYS HD2 1 1 5 1522 1 1 7 LYS HD3 H -7.405 -3.213 1.844 1.00 . A A . 7 LYS HD3 1 1 5 1523 1 1 7 LYS HE2 H -9.484 -5.273 0.828 1.00 . A A . 7 LYS HE2 1 1 5 1524 1 1 7 LYS HE3 H -8.747 -5.319 2.428 1.00 . A A . 7 LYS HE3 1 1 5 1525 1 1 7 LYS HG2 H -8.871 -2.559 -0.240 1.00 . A A . 7 LYS HG2 1 1 5 1526 1 1 7 LYS HG3 H -8.215 -3.960 -1.043 1.00 . A A . 7 LYS HG3 1 1 5 1527 1 1 7 LYS HZ2 H -9.642 -3.109 2.869 1.00 . A A . 7 LYS HZ2 1 1 5 1528 1 1 7 LYS HZ3 H -10.337 -3.042 1.391 1.00 . A A . 7 LYS HZ3 1 1 5 1529 1 1 7 LYS N N -7.242 -0.250 0.451 1.00 . A A . 7 LYS N 1 1 5 1530 1 1 7 LYS NZ N -10.049 -3.693 2.130 1.00 . A A . 7 LYS NZ 1 1 5 1531 1 1 7 LYS O O -3.802 -0.916 -0.123 1.00 . A A . 7 LYS O 1 1 5 1532 1 1 8 MET C C -3.208 2.104 -1.320 1.00 . A A . 8 MET C 1 1 5 1533 1 1 8 MET CA C -3.941 1.024 -2.181 1.00 . A A . 8 MET CA 1 1 5 1534 1 1 8 MET CB C -4.326 1.564 -3.572 1.00 . A A . 8 MET CB 1 1 5 1535 1 1 8 MET CE C -2.226 -0.504 -5.290 1.00 . A A . 8 MET CE 1 1 5 1536 1 1 8 MET CG C -4.762 0.533 -4.637 1.00 . A A . 8 MET CG 1 1 5 1537 1 1 8 MET H H -6.044 0.542 -1.765 1.00 . A A . 8 MET H 1 1 5 1538 1 1 8 MET HA H -3.190 0.273 -2.405 1.00 . A A . 8 MET HA 1 1 5 1539 1 1 8 MET HB2 H -5.108 2.316 -3.447 1.00 . A A . 8 MET HB2 1 1 5 1540 1 1 8 MET HB3 H -3.463 2.116 -3.992 1.00 . A A . 8 MET HB3 1 1 5 1541 1 1 8 MET HE1 H -1.744 0.285 -4.683 1.00 . A A . 8 MET HE1 1 1 5 1542 1 1 8 MET HE2 H -2.367 -0.116 -6.315 1.00 . A A . 8 MET HE2 1 1 5 1543 1 1 8 MET HE3 H -1.534 -1.364 -5.341 1.00 . A A . 8 MET HE3 1 1 5 1544 1 1 8 MET HG2 H -5.843 0.295 -4.559 1.00 . A A . 8 MET HG2 1 1 5 1545 1 1 8 MET HG3 H -4.629 0.980 -5.631 1.00 . A A . 8 MET HG3 1 1 5 1546 1 1 8 MET N N -5.077 0.319 -1.529 1.00 . A A . 8 MET N 1 1 5 1547 1 1 8 MET O O -2.072 2.442 -1.665 1.00 . A A . 8 MET O 1 1 5 1548 1 1 8 MET SD S -3.802 -1.004 -4.564 1.00 . A A . 8 MET SD 1 1 5 1549 1 1 9 PHE C C -1.939 2.989 1.422 1.00 . A A . 9 PHE C 1 1 5 1550 1 1 9 PHE CA C -3.143 3.632 0.666 1.00 . A A . 9 PHE CA 1 1 5 1551 1 1 9 PHE CB C -4.202 4.304 1.591 1.00 . A A . 9 PHE CB 1 1 5 1552 1 1 9 PHE CD1 C -3.478 6.725 1.967 1.00 . A A . 9 PHE CD1 1 1 5 1553 1 1 9 PHE CD2 C -3.276 5.171 3.806 1.00 . A A . 9 PHE CD2 1 1 5 1554 1 1 9 PHE CE1 C -2.935 7.733 2.762 1.00 . A A . 9 PHE CE1 1 1 5 1555 1 1 9 PHE CE2 C -2.730 6.179 4.597 1.00 . A A . 9 PHE CE2 1 1 5 1556 1 1 9 PHE CG C -3.652 5.436 2.483 1.00 . A A . 9 PHE CG 1 1 5 1557 1 1 9 PHE CZ C -2.562 7.459 4.075 1.00 . A A . 9 PHE CZ 1 1 5 1558 1 1 9 PHE H H -4.723 2.246 0.009 1.00 . A A . 9 PHE H 1 1 5 1559 1 1 9 PHE HA H -2.734 4.431 0.024 1.00 . A A . 9 PHE HA 1 1 5 1560 1 1 9 PHE HB2 H -5.025 4.712 0.972 1.00 . A A . 9 PHE HB2 1 1 5 1561 1 1 9 PHE HB3 H -4.696 3.534 2.217 1.00 . A A . 9 PHE HB3 1 1 5 1562 1 1 9 PHE HD1 H -3.753 6.949 0.946 1.00 . A A . 9 PHE HD1 1 1 5 1563 1 1 9 PHE HD2 H -3.389 4.180 4.222 1.00 . A A . 9 PHE HD2 1 1 5 1564 1 1 9 PHE HE1 H -2.798 8.725 2.358 1.00 . A A . 9 PHE HE1 1 1 5 1565 1 1 9 PHE HE2 H -2.433 5.968 5.614 1.00 . A A . 9 PHE HE2 1 1 5 1566 1 1 9 PHE HZ H -2.135 8.239 4.689 1.00 . A A . 9 PHE HZ 1 1 5 1567 1 1 9 PHE N N -3.805 2.639 -0.225 1.00 . A A . 9 PHE N 1 1 5 1568 1 1 9 PHE O O -0.812 3.456 1.253 1.00 . A A . 9 PHE O 1 1 5 1569 1 1 10 LYS C C -0.093 0.412 2.050 1.00 . A A . 10 LYS C 1 1 5 1570 1 1 10 LYS CA C -1.103 1.191 2.950 1.00 . A A . 10 LYS CA 1 1 5 1571 1 1 10 LYS CB C -1.691 0.219 4.033 1.00 . A A . 10 LYS CB 1 1 5 1572 1 1 10 LYS CD C -3.169 -0.137 6.108 1.00 . A A . 10 LYS CD 1 1 5 1573 1 1 10 LYS CE C -3.961 0.527 7.249 1.00 . A A . 10 LYS CE 1 1 5 1574 1 1 10 LYS CG C -2.497 0.889 5.174 1.00 . A A . 10 LYS CG 1 1 5 1575 1 1 10 LYS H H -3.181 1.711 2.274 1.00 . A A . 10 LYS H 1 1 5 1576 1 1 10 LYS HA H -0.486 1.990 3.418 1.00 . A A . 10 LYS HA 1 1 5 1577 1 1 10 LYS HB2 H -2.323 -0.546 3.537 1.00 . A A . 10 LYS HB2 1 1 5 1578 1 1 10 LYS HB3 H -0.896 -0.402 4.506 1.00 . A A . 10 LYS HB3 1 1 5 1579 1 1 10 LYS HD2 H -3.842 -0.784 5.513 1.00 . A A . 10 LYS HD2 1 1 5 1580 1 1 10 LYS HD3 H -2.396 -0.808 6.530 1.00 . A A . 10 LYS HD3 1 1 5 1581 1 1 10 LYS HE2 H -3.298 1.169 7.858 1.00 . A A . 10 LYS HE2 1 1 5 1582 1 1 10 LYS HE3 H -4.746 1.190 6.840 1.00 . A A . 10 LYS HE3 1 1 5 1583 1 1 10 LYS HG2 H -1.837 1.545 5.774 1.00 . A A . 10 LYS HG2 1 1 5 1584 1 1 10 LYS HG3 H -3.274 1.551 4.747 1.00 . A A . 10 LYS HG3 1 1 5 1585 1 1 10 LYS HZ2 H -3.871 -1.059 8.566 1.00 . A A . 10 LYS HZ2 1 1 5 1586 1 1 10 LYS HZ3 H -5.084 -0.013 8.895 1.00 . A A . 10 LYS HZ3 1 1 5 1587 1 1 10 LYS N N -2.180 1.924 2.212 1.00 . A A . 10 LYS N 1 1 5 1588 1 1 10 LYS NZ N -4.591 -0.478 8.124 1.00 . A A . 10 LYS NZ 1 1 5 1589 1 1 10 LYS O O 1.080 0.332 2.422 1.00 . A A . 10 LYS O 1 1 5 1590 1 1 11 THR C C 1.460 0.082 -0.659 1.00 . A A . 11 THR C 1 1 5 1591 1 1 11 THR CA C 0.375 -0.871 -0.054 1.00 . A A . 11 THR CA 1 1 5 1592 1 1 11 THR CB C -0.489 -1.623 -1.115 1.00 . A A . 11 THR CB 1 1 5 1593 1 1 11 THR CG2 C 0.318 -2.469 -2.113 1.00 . A A . 11 THR CG2 1 1 5 1594 1 1 11 THR H H -1.511 -0.044 0.691 1.00 . A A . 11 THR H 1 1 5 1595 1 1 11 THR HA H 0.894 -1.636 0.536 1.00 . A A . 11 THR HA 1 1 5 1596 1 1 11 THR HB H -1.081 -0.889 -1.694 1.00 . A A . 11 THR HB 1 1 5 1597 1 1 11 THR HG1 H -0.859 -3.148 0.002 1.00 . A A . 11 THR HG1 1 1 5 1598 1 1 11 THR HG21 H 0.998 -1.844 -2.720 1.00 . A A . 11 THR HG21 1 1 5 1599 1 1 11 THR HG22 H 0.932 -3.230 -1.598 1.00 . A A . 11 THR HG22 1 1 5 1600 1 1 11 THR HG23 H -0.350 -2.998 -2.817 1.00 . A A . 11 THR HG23 1 1 5 1601 1 1 11 THR N N -0.517 -0.151 0.896 1.00 . A A . 11 THR N 1 1 5 1602 1 1 11 THR O O 2.657 -0.184 -0.524 1.00 . A A . 11 THR O 1 1 5 1603 1 1 11 THR OG1 O -1.400 -2.513 -0.473 1.00 . A A . 11 THR OG1 1 1 5 1604 1 1 12 ASN C C 2.735 3.049 -0.840 1.00 . A A . 12 ASN C 1 1 5 1605 1 1 12 ASN CA C 1.900 2.223 -1.878 1.00 . A A . 12 ASN CA 1 1 5 1606 1 1 12 ASN CB C 1.011 3.126 -2.789 1.00 . A A . 12 ASN CB 1 1 5 1607 1 1 12 ASN CG C 1.796 4.016 -3.775 1.00 . A A . 12 ASN CG 1 1 5 1608 1 1 12 ASN H H 0.004 1.230 -1.380 1.00 . A A . 12 ASN H 1 1 5 1609 1 1 12 ASN HA H 2.616 1.674 -2.518 1.00 . A A . 12 ASN HA 1 1 5 1610 1 1 12 ASN HB2 H 0.326 2.505 -3.404 1.00 . A A . 12 ASN HB2 1 1 5 1611 1 1 12 ASN HB3 H 0.313 3.735 -2.175 1.00 . A A . 12 ASN HB3 1 1 5 1612 1 1 12 ASN HD21 H 1.538 5.624 -2.598 1.00 . A A . 12 ASN HD21 1 1 5 1613 1 1 12 ASN HD22 H 2.478 5.863 -4.154 1.00 . A A . 12 ASN HD22 1 1 5 1614 1 1 12 ASN N N 1.019 1.187 -1.288 1.00 . A A . 12 ASN N 1 1 5 1615 1 1 12 ASN ND2 N 1.949 5.299 -3.480 1.00 . A A . 12 ASN ND2 1 1 5 1616 1 1 12 ASN O O 3.895 3.348 -1.131 1.00 . A A . 12 ASN O 1 1 5 1617 1 1 12 ASN OD1 O 2.272 3.552 -4.811 1.00 . A A . 12 ASN OD1 1 1 5 1618 1 1 13 GLU C C 4.063 3.354 2.053 1.00 . A A . 13 GLU C 1 1 5 1619 1 1 13 GLU CA C 2.896 4.159 1.403 1.00 . A A . 13 GLU CA 1 1 5 1620 1 1 13 GLU CB C 1.851 4.706 2.416 1.00 . A A . 13 GLU CB 1 1 5 1621 1 1 13 GLU CD C 1.275 6.283 4.337 1.00 . A A . 13 GLU CD 1 1 5 1622 1 1 13 GLU CG C 2.391 5.709 3.457 1.00 . A A . 13 GLU CG 1 1 5 1623 1 1 13 GLU H H 1.215 3.100 0.503 1.00 . A A . 13 GLU H 1 1 5 1624 1 1 13 GLU HA H 3.335 5.032 0.906 1.00 . A A . 13 GLU HA 1 1 5 1625 1 1 13 GLU HB2 H 1.042 5.214 1.855 1.00 . A A . 13 GLU HB2 1 1 5 1626 1 1 13 GLU HB3 H 1.359 3.863 2.940 1.00 . A A . 13 GLU HB3 1 1 5 1627 1 1 13 GLU HE2 H 1.257 7.754 3.062 1.00 . A A . 13 GLU HE2 1 1 5 1628 1 1 13 GLU HG2 H 3.142 5.219 4.103 1.00 . A A . 13 GLU HG2 1 1 5 1629 1 1 13 GLU HG3 H 2.928 6.533 2.949 1.00 . A A . 13 GLU HG3 1 1 5 1630 1 1 13 GLU N N 2.175 3.412 0.340 1.00 . A A . 13 GLU N 1 1 5 1631 1 1 13 GLU O O 5.198 3.836 2.057 1.00 . A A . 13 GLU O 1 1 5 1632 1 1 13 GLU OE1 O 0.855 5.724 5.350 1.00 . A A . 13 GLU OE1 1 1 5 1633 1 1 13 GLU OE2 O 0.804 7.481 3.863 1.00 . A A . 13 GLU OE2 1 1 5 1634 1 1 14 ASN C C 5.974 0.794 2.238 1.00 . A A . 14 ASN C 1 1 5 1635 1 1 14 ASN CA C 4.794 1.233 3.172 1.00 . A A . 14 ASN CA 1 1 5 1636 1 1 14 ASN CB C 4.055 0.023 3.811 1.00 . A A . 14 ASN CB 1 1 5 1637 1 1 14 ASN CG C 4.887 -0.797 4.820 1.00 . A A . 14 ASN CG 1 1 5 1638 1 1 14 ASN H H 2.794 1.886 2.486 1.00 . A A . 14 ASN H 1 1 5 1639 1 1 14 ASN HA H 5.231 1.812 3.995 1.00 . A A . 14 ASN HA 1 1 5 1640 1 1 14 ASN HB2 H 3.164 0.380 4.365 1.00 . A A . 14 ASN HB2 1 1 5 1641 1 1 14 ASN HB3 H 3.638 -0.630 3.018 1.00 . A A . 14 ASN HB3 1 1 5 1642 1 1 14 ASN HD21 H 5.202 -2.242 3.459 1.00 . A A . 14 ASN HD21 1 1 5 1643 1 1 14 ASN HD22 H 5.936 -2.478 5.122 1.00 . A A . 14 ASN HD22 1 1 5 1644 1 1 14 ASN N N 3.781 2.139 2.561 1.00 . A A . 14 ASN N 1 1 5 1645 1 1 14 ASN ND2 N 5.388 -1.959 4.428 1.00 . A A . 14 ASN ND2 1 1 5 1646 1 1 14 ASN O O 7.113 0.697 2.702 1.00 . A A . 14 ASN O 1 1 5 1647 1 1 14 ASN OD1 O 5.081 -0.389 5.965 1.00 . A A . 14 ASN OD1 1 1 5 1648 1 1 15 ASN C C 7.580 1.323 -0.606 1.00 . A A . 15 ASN C 1 1 5 1649 1 1 15 ASN CA C 6.702 0.150 -0.065 1.00 . A A . 15 ASN CA 1 1 5 1650 1 1 15 ASN CB C 5.939 -0.603 -1.205 1.00 . A A . 15 ASN CB 1 1 5 1651 1 1 15 ASN CG C 6.789 -1.391 -2.230 1.00 . A A . 15 ASN CG 1 1 5 1652 1 1 15 ASN H H 4.699 0.543 0.727 1.00 . A A . 15 ASN H 1 1 5 1653 1 1 15 ASN HA H 7.391 -0.545 0.442 1.00 . A A . 15 ASN HA 1 1 5 1654 1 1 15 ASN HB2 H 5.196 -1.298 -0.758 1.00 . A A . 15 ASN HB2 1 1 5 1655 1 1 15 ASN HB3 H 5.310 0.112 -1.775 1.00 . A A . 15 ASN HB3 1 1 5 1656 1 1 15 ASN HD21 H 5.416 -2.852 -2.268 1.00 . A A . 15 ASN HD21 1 1 5 1657 1 1 15 ASN HD22 H 6.886 -3.054 -3.348 1.00 . A A . 15 ASN HD22 1 1 5 1658 1 1 15 ASN N N 5.693 0.532 0.950 1.00 . A A . 15 ASN N 1 1 5 1659 1 1 15 ASN ND2 N 6.315 -2.551 -2.659 1.00 . A A . 15 ASN ND2 1 1 5 1660 1 1 15 ASN O O 8.789 1.126 -0.763 1.00 . A A . 15 ASN O 1 1 5 1661 1 1 15 ASN OD1 O 7.856 -0.965 -2.672 1.00 . A A . 15 ASN OD1 1 1 5 1662 1 1 16 ASP C C 8.148 4.738 -0.343 1.00 . A A . 16 ASP C 1 1 5 1663 1 1 16 ASP CA C 7.721 3.685 -1.420 1.00 . A A . 16 ASP CA 1 1 5 1664 1 1 16 ASP CB C 6.886 4.256 -2.605 1.00 . A A . 16 ASP CB 1 1 5 1665 1 1 16 ASP CG C 7.655 5.196 -3.546 1.00 . A A . 16 ASP CG 1 1 5 1666 1 1 16 ASP H H 6.074 2.618 -0.484 1.00 . A A . 16 ASP H 1 1 5 1667 1 1 16 ASP HA H 8.655 3.301 -1.839 1.00 . A A . 16 ASP HA 1 1 5 1668 1 1 16 ASP HB2 H 6.481 3.438 -3.233 1.00 . A A . 16 ASP HB2 1 1 5 1669 1 1 16 ASP HB3 H 5.992 4.783 -2.220 1.00 . A A . 16 ASP HB3 1 1 5 1670 1 1 16 ASP HD2 H 8.966 5.103 -4.982 1.00 . A A . 16 ASP HD2 1 1 5 1671 1 1 16 ASP N N 6.991 2.505 -0.896 1.00 . A A . 16 ASP N 1 1 5 1672 1 1 16 ASP O O 7.977 5.949 -0.517 1.00 . A A . 16 ASP O 1 1 5 1673 1 1 16 ASP OD1 O 7.530 6.420 -3.533 1.00 . A A . 16 ASP OD1 1 1 5 1674 1 1 16 ASP OD2 O 8.488 4.513 -4.395 1.00 . A A . 16 ASP OD2 1 1 5 1675 1 1 17 LYS C C 10.754 4.651 2.250 1.00 . A A . 17 LYS C 1 1 5 1676 1 1 17 LYS CA C 9.294 5.057 1.857 1.00 . A A . 17 LYS CA 1 1 5 1677 1 1 17 LYS CB C 8.265 5.045 3.034 1.00 . A A . 17 LYS CB 1 1 5 1678 1 1 17 LYS CD C 7.125 3.872 5.026 1.00 . A A . 17 LYS CD 1 1 5 1679 1 1 17 LYS CE C 7.141 2.660 5.976 1.00 . A A . 17 LYS CE 1 1 5 1680 1 1 17 LYS CG C 8.225 3.800 3.952 1.00 . A A . 17 LYS CG 1 1 5 1681 1 1 17 LYS H H 8.409 3.337 1.010 1.00 . A A . 17 LYS H 1 1 5 1682 1 1 17 LYS HA H 9.409 6.084 1.476 1.00 . A A . 17 LYS HA 1 1 5 1683 1 1 17 LYS HB2 H 8.510 5.910 3.651 1.00 . A A . 17 LYS HB2 1 1 5 1684 1 1 17 LYS HB3 H 7.223 5.234 2.686 1.00 . A A . 17 LYS HB3 1 1 5 1685 1 1 17 LYS HD2 H 7.244 4.805 5.609 1.00 . A A . 17 LYS HD2 1 1 5 1686 1 1 17 LYS HD3 H 6.140 3.951 4.528 1.00 . A A . 17 LYS HD3 1 1 5 1687 1 1 17 LYS HE2 H 7.072 1.715 5.406 1.00 . A A . 17 LYS HE2 1 1 5 1688 1 1 17 LYS HE3 H 8.098 2.617 6.529 1.00 . A A . 17 LYS HE3 1 1 5 1689 1 1 17 LYS HG2 H 8.084 2.898 3.333 1.00 . A A . 17 LYS HG2 1 1 5 1690 1 1 17 LYS HG3 H 9.205 3.676 4.449 1.00 . A A . 17 LYS HG3 1 1 5 1691 1 1 17 LYS HZ2 H 5.133 2.760 6.442 1.00 . A A . 17 LYS HZ2 1 1 5 1692 1 1 17 LYS HZ3 H 6.081 3.588 7.485 1.00 . A A . 17 LYS HZ3 1 1 5 1693 1 1 17 LYS N N 8.765 4.247 0.745 1.00 . A A . 17 LYS N 1 1 5 1694 1 1 17 LYS NZ N 6.029 2.720 6.940 1.00 . A A . 17 LYS NZ 1 1 5 1695 1 1 17 LYS O O 11.576 5.542 2.482 1.00 . A A . 17 LYS O 1 1 5 1696 1 1 18 SER C C 12.942 2.027 1.417 1.00 . A A . 18 SER C 1 1 5 1697 1 1 18 SER CA C 12.416 2.823 2.647 1.00 . A A . 18 SER CA 1 1 5 1698 1 1 18 SER CB C 12.359 2.070 4.013 1.00 . A A . 18 SER CB 1 1 5 1699 1 1 18 SER H H 10.284 2.715 2.093 1.00 . A A . 18 SER H 1 1 5 1700 1 1 18 SER HA H 13.138 3.659 2.739 1.00 . A A . 18 SER HA 1 1 5 1701 1 1 18 SER HB2 H 11.832 2.630 4.819 1.00 . A A . 18 SER HB2 1 1 5 1702 1 1 18 SER HB3 H 11.785 1.129 3.916 1.00 . A A . 18 SER HB3 1 1 5 1703 1 1 18 SER HG H 14.121 2.603 4.567 1.00 . A A . 18 SER HG 1 1 5 1704 1 1 18 SER N N 11.064 3.337 2.328 1.00 . A A . 18 SER N 1 1 5 1705 1 1 18 SER O O 13.548 2.639 0.530 1.00 . A A . 18 SER O 1 1 5 1706 1 1 18 SER OG O 13.675 1.761 4.455 1.00 . A A . 18 SER OG 1 1 5 1707 1 1 19 GLU C C 12.398 -1.508 0.407 1.00 . A A . 19 GLU C 1 1 5 1708 1 1 19 GLU CA C 13.170 -0.167 0.245 1.00 . A A . 19 GLU CA 1 1 5 1709 1 1 19 GLU CB C 14.711 -0.365 0.322 1.00 . A A . 19 GLU CB 1 1 5 1710 1 1 19 GLU CD C 16.800 -1.301 -0.828 1.00 . A A . 19 GLU CD 1 1 5 1711 1 1 19 GLU CG C 15.272 -1.233 -0.812 1.00 . A A . 19 GLU CG 1 1 5 1712 1 1 19 GLU H H 12.130 0.297 2.068 1.00 . A A . 19 GLU H 1 1 5 1713 1 1 19 GLU HA H 12.908 0.325 -0.716 1.00 . A A . 19 GLU HA 1 1 5 1714 1 1 19 GLU HB2 H 15.199 0.626 0.300 1.00 . A A . 19 GLU HB2 1 1 5 1715 1 1 19 GLU HB3 H 14.999 -0.805 1.298 1.00 . A A . 19 GLU HB3 1 1 5 1716 1 1 19 GLU HE2 H 18.244 -2.329 -0.022 1.00 . A A . 19 GLU HE2 1 1 5 1717 1 1 19 GLU HG2 H 14.850 -2.251 -0.715 1.00 . A A . 19 GLU HG2 1 1 5 1718 1 1 19 GLU HG3 H 14.901 -0.836 -1.773 1.00 . A A . 19 GLU HG3 1 1 5 1719 1 1 19 GLU N N 12.723 0.698 1.349 1.00 . A A . 19 GLU N 1 1 5 1720 1 1 19 GLU O O 12.704 -2.304 1.303 1.00 . A A . 19 GLU O 1 1 5 1721 1 1 19 GLU OE1 O 17.504 -0.550 -1.502 1.00 . A A . 19 GLU OE1 1 1 5 1722 1 1 19 GLU OE2 O 17.285 -2.290 -0.009 1.00 . A A . 19 GLU OE2 1 1 5 1723 1 1 20 LEU C C 10.347 -3.530 -1.920 1.00 . A A . 20 LEU C 1 1 5 1724 1 1 20 LEU CA C 10.615 -3.015 -0.461 1.00 . A A . 20 LEU CA 1 1 5 1725 1 1 20 LEU CB C 9.319 -2.751 0.381 1.00 . A A . 20 LEU CB 1 1 5 1726 1 1 20 LEU CD1 C 9.309 -4.751 2.008 1.00 . A A . 20 LEU CD1 1 1 5 1727 1 1 20 LEU CD2 C 7.146 -3.606 1.384 1.00 . A A . 20 LEU CD2 1 1 5 1728 1 1 20 LEU CG C 8.552 -4.002 0.891 1.00 . A A . 20 LEU CG 1 1 5 1729 1 1 20 LEU H H 11.189 -0.963 -1.093 1.00 . A A . 20 LEU H 1 1 5 1730 1 1 20 LEU HA H 11.201 -3.823 0.034 1.00 . A A . 20 LEU HA 1 1 5 1731 1 1 20 LEU HB2 H 9.512 -2.086 1.253 1.00 . A A . 20 LEU HB2 1 1 5 1732 1 1 20 LEU HB3 H 8.644 -2.150 -0.253 1.00 . A A . 20 LEU HB3 1 1 5 1733 1 1 20 LEU HD11 H 10.291 -5.123 1.664 1.00 . A A . 20 LEU HD11 1 1 5 1734 1 1 20 LEU HD12 H 8.746 -5.635 2.361 1.00 . A A . 20 LEU HD12 1 1 5 1735 1 1 20 LEU HD13 H 9.494 -4.107 2.889 1.00 . A A . 20 LEU HD13 1 1 5 1736 1 1 20 LEU HD21 H 6.570 -4.483 1.733 1.00 . A A . 20 LEU HD21 1 1 5 1737 1 1 20 LEU HD22 H 6.550 -3.137 0.579 1.00 . A A . 20 LEU HD22 1 1 5 1738 1 1 20 LEU HD23 H 7.187 -2.884 2.222 1.00 . A A . 20 LEU HD23 1 1 5 1739 1 1 20 LEU HG H 8.413 -4.705 0.049 1.00 . A A . 20 LEU HG 1 1 5 1740 1 1 20 LEU N N 11.408 -1.749 -0.470 1.00 . A A . 20 LEU N 1 1 5 1741 1 1 20 LEU O O 9.199 -3.815 -2.275 1.00 . A A . 20 LEU O 1 1 5 1742 1 1 21 ILE C C 12.368 -5.301 -4.267 1.00 . A A . 21 ILE C 1 1 5 1743 1 1 21 ILE CA C 11.266 -4.205 -4.155 1.00 . A A . 21 ILE CA 1 1 5 1744 1 1 21 ILE CB C 11.366 -3.091 -5.267 1.00 . A A . 21 ILE CB 1 1 5 1745 1 1 21 ILE CD1 C 10.769 -0.730 -4.296 1.00 . A A . 21 ILE CD1 1 1 5 1746 1 1 21 ILE CG1 C 10.322 -1.932 -5.144 1.00 . A A . 21 ILE CG1 1 1 5 1747 1 1 21 ILE CG2 C 11.230 -3.704 -6.687 1.00 . A A . 21 ILE CG2 1 1 5 1748 1 1 21 ILE H H 12.303 -3.337 -2.425 1.00 . A A . 21 ILE H 1 1 5 1749 1 1 21 ILE HA H 10.275 -4.689 -4.283 1.00 . A A . 21 ILE HA 1 1 5 1750 1 1 21 ILE HB H 12.379 -2.646 -5.224 1.00 . A A . 21 ILE HB 1 1 5 1751 1 1 21 ILE HD11 H 10.952 -0.998 -3.242 1.00 . A A . 21 ILE HD11 1 1 5 1752 1 1 21 ILE HD12 H 9.998 0.062 -4.296 1.00 . A A . 21 ILE HD12 1 1 5 1753 1 1 21 ILE HD13 H 11.698 -0.278 -4.690 1.00 . A A . 21 ILE HD13 1 1 5 1754 1 1 21 ILE HG12 H 10.072 -1.516 -6.139 1.00 . A A . 21 ILE HG12 1 1 5 1755 1 1 21 ILE HG13 H 9.360 -2.321 -4.761 1.00 . A A . 21 ILE HG13 1 1 5 1756 1 1 21 ILE HG21 H 11.349 -2.940 -7.479 1.00 . A A . 21 ILE HG21 1 1 5 1757 1 1 21 ILE HG22 H 10.246 -4.185 -6.839 1.00 . A A . 21 ILE HG22 1 1 5 1758 1 1 21 ILE HG23 H 12.001 -4.470 -6.886 1.00 . A A . 21 ILE HG23 1 1 5 1759 1 1 21 ILE N N 11.398 -3.683 -2.764 1.00 . A A . 21 ILE N 1 1 5 1760 1 1 21 ILE O O 13.565 -5.018 -4.353 1.00 . A A . 21 ILE O 1 1 6 1761 1 1 1 TYR C C -18.250 -4.161 1.014 1.00 . A A . 1 TYR C 1 1 6 1762 1 1 1 TYR CA C -19.665 -3.661 0.615 1.00 . A A . 1 TYR CA 1 1 6 1763 1 1 1 TYR CB C -20.045 -2.366 1.394 1.00 . A A . 1 TYR CB 1 1 6 1764 1 1 1 TYR CD1 C -21.272 -0.795 -0.200 1.00 . A A . 1 TYR CD1 1 1 6 1765 1 1 1 TYR CD2 C -22.545 -1.871 1.549 1.00 . A A . 1 TYR CD2 1 1 6 1766 1 1 1 TYR CE1 C -22.430 -0.169 -0.656 1.00 . A A . 1 TYR CE1 1 1 6 1767 1 1 1 TYR CE2 C -23.702 -1.245 1.090 1.00 . A A . 1 TYR CE2 1 1 6 1768 1 1 1 TYR CG C -21.321 -1.653 0.905 1.00 . A A . 1 TYR CG 1 1 6 1769 1 1 1 TYR CZ C -23.645 -0.394 -0.011 1.00 . A A . 1 TYR CZ 1 1 6 1770 1 1 1 TYR H1 H -20.621 -5.260 1.791 1.00 . A A . 1 TYR H1 1 1 6 1771 1 1 1 TYR HA H -19.657 -3.397 -0.461 1.00 . A A . 1 TYR HA 1 1 6 1772 1 1 1 TYR HB2 H -20.127 -2.591 2.479 1.00 . A A . 1 TYR HB2 1 1 6 1773 1 1 1 TYR HB3 H -19.202 -1.647 1.320 1.00 . A A . 1 TYR HB3 1 1 6 1774 1 1 1 TYR HD1 H -20.338 -0.616 -0.714 1.00 . A A . 1 TYR HD1 1 1 6 1775 1 1 1 TYR HD2 H -22.607 -2.534 2.400 1.00 . A A . 1 TYR HD2 1 1 6 1776 1 1 1 TYR HE1 H -22.383 0.489 -1.512 1.00 . A A . 1 TYR HE1 1 1 6 1777 1 1 1 TYR HE2 H -24.642 -1.424 1.591 1.00 . A A . 1 TYR HE2 1 1 6 1778 1 1 1 TYR HH H -25.524 -0.045 0.090 1.00 . A A . 1 TYR HH 1 1 6 1779 1 1 1 TYR N N -20.621 -4.773 0.888 1.00 . A A . 1 TYR N 1 1 6 1780 1 1 1 TYR O O -17.950 -4.325 2.203 1.00 . A A . 1 TYR O 1 1 6 1781 1 1 1 TYR OH O -24.785 0.221 -0.463 1.00 . A A . 1 TYR OH 1 1 6 1782 1 1 2 ASP C C -15.120 -4.273 -0.904 1.00 . A A . 2 ASP C 1 1 6 1783 1 1 2 ASP CA C -16.002 -4.890 0.217 1.00 . A A . 2 ASP CA 1 1 6 1784 1 1 2 ASP CB C -15.970 -6.445 0.240 1.00 . A A . 2 ASP CB 1 1 6 1785 1 1 2 ASP CG C -14.621 -7.046 0.660 1.00 . A A . 2 ASP CG 1 1 6 1786 1 1 2 ASP H H -17.768 -4.233 -0.934 1.00 . A A . 2 ASP H 1 1 6 1787 1 1 2 ASP HA H -15.642 -4.537 1.207 1.00 . A A . 2 ASP HA 1 1 6 1788 1 1 2 ASP HB2 H -16.730 -6.823 0.949 1.00 . A A . 2 ASP HB2 1 1 6 1789 1 1 2 ASP HB3 H -16.273 -6.857 -0.743 1.00 . A A . 2 ASP HB3 1 1 6 1790 1 1 2 ASP HD2 H -12.978 -7.706 -0.150 1.00 . A A . 2 ASP HD2 1 1 6 1791 1 1 2 ASP N N -17.392 -4.407 0.005 1.00 . A A . 2 ASP N 1 1 6 1792 1 1 2 ASP O O -15.245 -4.642 -2.078 1.00 . A A . 2 ASP O 1 1 6 1793 1 1 2 ASP OD1 O -14.302 -7.241 1.832 1.00 . A A . 2 ASP OD1 1 1 6 1794 1 1 2 ASP OD2 O -13.821 -7.333 -0.417 1.00 . A A . 2 ASP OD2 1 1 6 1795 1 1 3 ASN C C -12.025 -2.332 -0.615 1.00 . A A . 3 ASN C 1 1 6 1796 1 1 3 ASN CA C -13.289 -2.671 -1.449 1.00 . A A . 3 ASN CA 1 1 6 1797 1 1 3 ASN CB C -13.869 -1.396 -2.132 1.00 . A A . 3 ASN CB 1 1 6 1798 1 1 3 ASN CG C -14.943 -1.639 -3.210 1.00 . A A . 3 ASN CG 1 1 6 1799 1 1 3 ASN H H -14.078 -3.257 0.481 1.00 . A A . 3 ASN H 1 1 6 1800 1 1 3 ASN HA H -13.014 -3.396 -2.232 1.00 . A A . 3 ASN HA 1 1 6 1801 1 1 3 ASN HB2 H -14.287 -0.715 -1.365 1.00 . A A . 3 ASN HB2 1 1 6 1802 1 1 3 ASN HB3 H -13.044 -0.811 -2.584 1.00 . A A . 3 ASN HB3 1 1 6 1803 1 1 3 ASN HD21 H -13.528 -1.900 -4.608 1.00 . A A . 3 ASN HD21 1 1 6 1804 1 1 3 ASN HD22 H -15.276 -2.047 -5.146 1.00 . A A . 3 ASN HD22 1 1 6 1805 1 1 3 ASN N N -14.236 -3.331 -0.523 1.00 . A A . 3 ASN N 1 1 6 1806 1 1 3 ASN ND2 N -14.541 -1.886 -4.448 1.00 . A A . 3 ASN ND2 1 1 6 1807 1 1 3 ASN O O -12.013 -1.363 0.154 1.00 . A A . 3 ASN O 1 1 6 1808 1 1 3 ASN OD1 O -16.142 -1.608 -2.934 1.00 . A A . 3 ASN OD1 1 1 6 1809 1 1 4 ILE C C -8.677 -1.867 -0.664 1.00 . A A . 4 ILE C 1 1 6 1810 1 1 4 ILE CA C -9.658 -2.955 -0.067 1.00 . A A . 4 ILE CA 1 1 6 1811 1 1 4 ILE CB C -9.037 -4.386 0.158 1.00 . A A . 4 ILE CB 1 1 6 1812 1 1 4 ILE CD1 C -8.577 -4.243 2.730 1.00 . A A . 4 ILE CD1 1 1 6 1813 1 1 4 ILE CG1 C -8.009 -4.496 1.324 1.00 . A A . 4 ILE CG1 1 1 6 1814 1 1 4 ILE CG2 C -8.424 -4.980 -1.132 1.00 . A A . 4 ILE CG2 1 1 6 1815 1 1 4 ILE H H -11.143 -3.987 -1.315 1.00 . A A . 4 ILE H 1 1 6 1816 1 1 4 ILE HA H -9.925 -2.595 0.931 1.00 . A A . 4 ILE HA 1 1 6 1817 1 1 4 ILE HB H -9.860 -5.072 0.444 1.00 . A A . 4 ILE HB 1 1 6 1818 1 1 4 ILE HD11 H -7.807 -4.418 3.504 1.00 . A A . 4 ILE HD11 1 1 6 1819 1 1 4 ILE HD12 H -8.927 -3.203 2.857 1.00 . A A . 4 ILE HD12 1 1 6 1820 1 1 4 ILE HD13 H -9.426 -4.914 2.956 1.00 . A A . 4 ILE HD13 1 1 6 1821 1 1 4 ILE HG12 H -7.580 -5.516 1.334 1.00 . A A . 4 ILE HG12 1 1 6 1822 1 1 4 ILE HG13 H -7.144 -3.830 1.158 1.00 . A A . 4 ILE HG13 1 1 6 1823 1 1 4 ILE HG21 H -8.103 -6.026 -0.984 1.00 . A A . 4 ILE HG21 1 1 6 1824 1 1 4 ILE HG22 H -9.157 -4.980 -1.960 1.00 . A A . 4 ILE HG22 1 1 6 1825 1 1 4 ILE HG23 H -7.546 -4.403 -1.472 1.00 . A A . 4 ILE HG23 1 1 6 1826 1 1 4 ILE N N -10.956 -3.135 -0.789 1.00 . A A . 4 ILE N 1 1 6 1827 1 1 4 ILE O O -7.480 -1.887 -0.362 1.00 . A A . 4 ILE O 1 1 6 1828 1 1 5 LEU C C -7.756 1.230 -1.097 1.00 . A A . 5 LEU C 1 1 6 1829 1 1 5 LEU CA C -8.356 0.182 -2.083 1.00 . A A . 5 LEU CA 1 1 6 1830 1 1 5 LEU CB C -9.154 0.887 -3.228 1.00 . A A . 5 LEU CB 1 1 6 1831 1 1 5 LEU CD1 C -10.286 -1.064 -4.537 1.00 . A A . 5 LEU CD1 1 1 6 1832 1 1 5 LEU CD2 C -9.719 1.088 -5.706 1.00 . A A . 5 LEU CD2 1 1 6 1833 1 1 5 LEU CG C -9.298 0.122 -4.579 1.00 . A A . 5 LEU CG 1 1 6 1834 1 1 5 LEU H H -10.152 -1.034 -1.723 1.00 . A A . 5 LEU H 1 1 6 1835 1 1 5 LEU HA H -7.484 -0.332 -2.524 1.00 . A A . 5 LEU HA 1 1 6 1836 1 1 5 LEU HB2 H -10.152 1.210 -2.866 1.00 . A A . 5 LEU HB2 1 1 6 1837 1 1 5 LEU HB3 H -8.646 1.846 -3.456 1.00 . A A . 5 LEU HB3 1 1 6 1838 1 1 5 LEU HD11 H -11.297 -0.750 -4.216 1.00 . A A . 5 LEU HD11 1 1 6 1839 1 1 5 LEU HD12 H -10.393 -1.544 -5.527 1.00 . A A . 5 LEU HD12 1 1 6 1840 1 1 5 LEU HD13 H -9.952 -1.860 -3.848 1.00 . A A . 5 LEU HD13 1 1 6 1841 1 1 5 LEU HD21 H -9.774 0.577 -6.686 1.00 . A A . 5 LEU HD21 1 1 6 1842 1 1 5 LEU HD22 H -10.710 1.542 -5.517 1.00 . A A . 5 LEU HD22 1 1 6 1843 1 1 5 LEU HD23 H -8.997 1.916 -5.826 1.00 . A A . 5 LEU HD23 1 1 6 1844 1 1 5 LEU HG H -8.304 -0.277 -4.855 1.00 . A A . 5 LEU HG 1 1 6 1845 1 1 5 LEU N N -9.174 -0.895 -1.459 1.00 . A A . 5 LEU N 1 1 6 1846 1 1 5 LEU O O -6.617 1.654 -1.310 1.00 . A A . 5 LEU O 1 1 6 1847 1 1 6 VAL C C -6.755 2.043 1.755 1.00 . A A . 6 VAL C 1 1 6 1848 1 1 6 VAL CA C -8.004 2.610 0.993 1.00 . A A . 6 VAL CA 1 1 6 1849 1 1 6 VAL CB C -9.147 3.099 1.959 1.00 . A A . 6 VAL CB 1 1 6 1850 1 1 6 VAL CG1 C -8.695 4.265 2.872 1.00 . A A . 6 VAL CG1 1 1 6 1851 1 1 6 VAL CG2 C -10.439 3.531 1.235 1.00 . A A . 6 VAL CG2 1 1 6 1852 1 1 6 VAL H H -9.432 1.226 -0.003 1.00 . A A . 6 VAL H 1 1 6 1853 1 1 6 VAL HA H -7.655 3.502 0.442 1.00 . A A . 6 VAL HA 1 1 6 1854 1 1 6 VAL HB H -9.452 2.271 2.623 1.00 . A A . 6 VAL HB 1 1 6 1855 1 1 6 VAL HG11 H -9.498 4.585 3.563 1.00 . A A . 6 VAL HG11 1 1 6 1856 1 1 6 VAL HG12 H -8.389 5.154 2.288 1.00 . A A . 6 VAL HG12 1 1 6 1857 1 1 6 VAL HG13 H -7.836 3.981 3.507 1.00 . A A . 6 VAL HG13 1 1 6 1858 1 1 6 VAL HG21 H -10.246 4.338 0.506 1.00 . A A . 6 VAL HG21 1 1 6 1859 1 1 6 VAL HG22 H -10.885 2.682 0.683 1.00 . A A . 6 VAL HG22 1 1 6 1860 1 1 6 VAL HG23 H -11.209 3.877 1.947 1.00 . A A . 6 VAL HG23 1 1 6 1861 1 1 6 VAL N N -8.497 1.645 -0.046 1.00 . A A . 6 VAL N 1 1 6 1862 1 1 6 VAL O O -5.759 2.757 1.908 1.00 . A A . 6 VAL O 1 1 6 1863 1 1 7 LYS C C -4.468 -0.204 1.967 1.00 . A A . 7 LYS C 1 1 6 1864 1 1 7 LYS CA C -5.692 0.083 2.896 1.00 . A A . 7 LYS CA 1 1 6 1865 1 1 7 LYS CB C -6.171 -1.224 3.599 1.00 . A A . 7 LYS CB 1 1 6 1866 1 1 7 LYS CD C -7.082 -0.195 5.817 1.00 . A A . 7 LYS CD 1 1 6 1867 1 1 7 LYS CE C -8.228 -0.222 6.845 1.00 . A A . 7 LYS CE 1 1 6 1868 1 1 7 LYS CG C -7.328 -1.148 4.629 1.00 . A A . 7 LYS CG 1 1 6 1869 1 1 7 LYS H H -7.706 0.311 1.976 1.00 . A A . 7 LYS H 1 1 6 1870 1 1 7 LYS HA H -5.307 0.768 3.671 1.00 . A A . 7 LYS HA 1 1 6 1871 1 1 7 LYS HB2 H -6.459 -1.963 2.827 1.00 . A A . 7 LYS HB2 1 1 6 1872 1 1 7 LYS HB3 H -5.303 -1.686 4.108 1.00 . A A . 7 LYS HB3 1 1 6 1873 1 1 7 LYS HD2 H -6.129 -0.464 6.311 1.00 . A A . 7 LYS HD2 1 1 6 1874 1 1 7 LYS HD3 H -6.949 0.837 5.439 1.00 . A A . 7 LYS HD3 1 1 6 1875 1 1 7 LYS HE2 H -9.185 0.056 6.365 1.00 . A A . 7 LYS HE2 1 1 6 1876 1 1 7 LYS HE3 H -8.366 -1.245 7.243 1.00 . A A . 7 LYS HE3 1 1 6 1877 1 1 7 LYS HG2 H -8.282 -0.893 4.123 1.00 . A A . 7 LYS HG2 1 1 6 1878 1 1 7 LYS HG3 H -7.492 -2.169 5.024 1.00 . A A . 7 LYS HG3 1 1 6 1879 1 1 7 LYS HZ2 H -7.121 0.411 8.468 1.00 . A A . 7 LYS HZ2 1 1 6 1880 1 1 7 LYS HZ3 H -8.729 0.638 8.653 1.00 . A A . 7 LYS HZ3 1 1 6 1881 1 1 7 LYS N N -6.818 0.772 2.204 1.00 . A A . 7 LYS N 1 1 6 1882 1 1 7 LYS NZ N -7.969 0.698 7.967 1.00 . A A . 7 LYS NZ 1 1 6 1883 1 1 7 LYS O O -3.334 0.045 2.385 1.00 . A A . 7 LYS O 1 1 6 1884 1 1 8 MET C C -2.861 0.289 -0.830 1.00 . A A . 8 MET C 1 1 6 1885 1 1 8 MET CA C -3.601 -0.965 -0.254 1.00 . A A . 8 MET CA 1 1 6 1886 1 1 8 MET CB C -4.066 -1.915 -1.377 1.00 . A A . 8 MET CB 1 1 6 1887 1 1 8 MET CE C -4.158 -5.718 0.401 1.00 . A A . 8 MET CE 1 1 6 1888 1 1 8 MET CG C -4.539 -3.327 -0.975 1.00 . A A . 8 MET CG 1 1 6 1889 1 1 8 MET H H -5.666 -0.826 0.483 1.00 . A A . 8 MET H 1 1 6 1890 1 1 8 MET HA H -2.845 -1.546 0.265 1.00 . A A . 8 MET HA 1 1 6 1891 1 1 8 MET HB2 H -4.855 -1.419 -1.948 1.00 . A A . 8 MET HB2 1 1 6 1892 1 1 8 MET HB3 H -3.232 -2.046 -2.093 1.00 . A A . 8 MET HB3 1 1 6 1893 1 1 8 MET HE1 H -3.647 -6.297 1.191 1.00 . A A . 8 MET HE1 1 1 6 1894 1 1 8 MET HE2 H -3.988 -6.230 -0.563 1.00 . A A . 8 MET HE2 1 1 6 1895 1 1 8 MET HE3 H -5.242 -5.730 0.614 1.00 . A A . 8 MET HE3 1 1 6 1896 1 1 8 MET HG2 H -5.610 -3.348 -0.691 1.00 . A A . 8 MET HG2 1 1 6 1897 1 1 8 MET HG3 H -4.446 -3.977 -1.856 1.00 . A A . 8 MET HG3 1 1 6 1898 1 1 8 MET N N -4.686 -0.699 0.729 1.00 . A A . 8 MET N 1 1 6 1899 1 1 8 MET O O -1.744 0.124 -1.328 1.00 . A A . 8 MET O 1 1 6 1900 1 1 8 MET SD S -3.530 -4.028 0.352 1.00 . A A . 8 MET SD 1 1 6 1901 1 1 9 PHE C C -1.540 3.129 -0.364 1.00 . A A . 9 PHE C 1 1 6 1902 1 1 9 PHE CA C -2.773 2.760 -1.251 1.00 . A A . 9 PHE CA 1 1 6 1903 1 1 9 PHE CB C -3.845 3.883 -1.372 1.00 . A A . 9 PHE CB 1 1 6 1904 1 1 9 PHE CD1 C -3.267 5.331 -3.394 1.00 . A A . 9 PHE CD1 1 1 6 1905 1 1 9 PHE CD2 C -2.969 6.272 -1.188 1.00 . A A . 9 PHE CD2 1 1 6 1906 1 1 9 PHE CE1 C -2.809 6.518 -3.960 1.00 . A A . 9 PHE CE1 1 1 6 1907 1 1 9 PHE CE2 C -2.510 7.457 -1.758 1.00 . A A . 9 PHE CE2 1 1 6 1908 1 1 9 PHE CG C -3.350 5.199 -2.003 1.00 . A A . 9 PHE CG 1 1 6 1909 1 1 9 PHE CZ C -2.431 7.580 -3.143 1.00 . A A . 9 PHE CZ 1 1 6 1910 1 1 9 PHE H H -4.324 1.556 -0.257 1.00 . A A . 9 PHE H 1 1 6 1911 1 1 9 PHE HA H -2.397 2.565 -2.270 1.00 . A A . 9 PHE HA 1 1 6 1912 1 1 9 PHE HB2 H -4.699 3.513 -1.973 1.00 . A A . 9 PHE HB2 1 1 6 1913 1 1 9 PHE HB3 H -4.291 4.085 -0.378 1.00 . A A . 9 PHE HB3 1 1 6 1914 1 1 9 PHE HD1 H -3.554 4.513 -4.040 1.00 . A A . 9 PHE HD1 1 1 6 1915 1 1 9 PHE HD2 H -3.021 6.190 -0.111 1.00 . A A . 9 PHE HD2 1 1 6 1916 1 1 9 PHE HE1 H -2.745 6.614 -5.034 1.00 . A A . 9 PHE HE1 1 1 6 1917 1 1 9 PHE HE2 H -2.215 8.282 -1.125 1.00 . A A . 9 PHE HE2 1 1 6 1918 1 1 9 PHE HZ H -2.074 8.499 -3.583 1.00 . A A . 9 PHE HZ 1 1 6 1919 1 1 9 PHE N N -3.436 1.515 -0.771 1.00 . A A . 9 PHE N 1 1 6 1920 1 1 9 PHE O O -0.429 3.240 -0.889 1.00 . A A . 9 PHE O 1 1 6 1921 1 1 10 LYS C C 0.340 2.421 2.192 1.00 . A A . 10 LYS C 1 1 6 1922 1 1 10 LYS CA C -0.652 3.597 1.932 1.00 . A A . 10 LYS CA 1 1 6 1923 1 1 10 LYS CB C -1.212 4.117 3.304 1.00 . A A . 10 LYS CB 1 1 6 1924 1 1 10 LYS CD C -2.668 5.803 4.593 1.00 . A A . 10 LYS CD 1 1 6 1925 1 1 10 LYS CE C -3.503 7.100 4.586 1.00 . A A . 10 LYS CE 1 1 6 1926 1 1 10 LYS CG C -2.008 5.444 3.244 1.00 . A A . 10 LYS CG 1 1 6 1927 1 1 10 LYS H H -2.740 3.211 1.204 1.00 . A A . 10 LYS H 1 1 6 1928 1 1 10 LYS HA H -0.031 4.371 1.432 1.00 . A A . 10 LYS HA 1 1 6 1929 1 1 10 LYS HB2 H -1.841 3.331 3.768 1.00 . A A . 10 LYS HB2 1 1 6 1930 1 1 10 LYS HB3 H -0.403 4.247 4.059 1.00 . A A . 10 LYS HB3 1 1 6 1931 1 1 10 LYS HD2 H -3.336 4.972 4.889 1.00 . A A . 10 LYS HD2 1 1 6 1932 1 1 10 LYS HD3 H -1.901 5.854 5.389 1.00 . A A . 10 LYS HD3 1 1 6 1933 1 1 10 LYS HE2 H -4.243 7.080 3.765 1.00 . A A . 10 LYS HE2 1 1 6 1934 1 1 10 LYS HE3 H -4.094 7.156 5.518 1.00 . A A . 10 LYS HE3 1 1 6 1935 1 1 10 LYS HG2 H -1.344 6.273 2.932 1.00 . A A . 10 LYS HG2 1 1 6 1936 1 1 10 LYS HG3 H -2.794 5.379 2.468 1.00 . A A . 10 LYS HG3 1 1 6 1937 1 1 10 LYS HZ2 H -2.005 8.359 5.250 1.00 . A A . 10 LYS HZ2 1 1 6 1938 1 1 10 LYS HZ3 H -2.125 8.299 3.621 1.00 . A A . 10 LYS HZ3 1 1 6 1939 1 1 10 LYS N N -1.747 3.291 0.958 1.00 . A A . 10 LYS N 1 1 6 1940 1 1 10 LYS NZ N -2.683 8.323 4.481 1.00 . A A . 10 LYS NZ 1 1 6 1941 1 1 10 LYS O O 1.524 2.694 2.412 1.00 . A A . 10 LYS O 1 1 6 1942 1 1 11 THR C C 1.820 -0.170 1.209 1.00 . A A . 11 THR C 1 1 6 1943 1 1 11 THR CA C 0.768 -0.046 2.360 1.00 . A A . 11 THR CA 1 1 6 1944 1 1 11 THR CB C -0.105 -1.322 2.577 1.00 . A A . 11 THR CB 1 1 6 1945 1 1 11 THR CG2 C 0.703 -2.593 2.884 1.00 . A A . 11 THR CG2 1 1 6 1946 1 1 11 THR H H -1.103 1.023 1.984 1.00 . A A . 11 THR H 1 1 6 1947 1 1 11 THR HA H 1.315 0.127 3.295 1.00 . A A . 11 THR HA 1 1 6 1948 1 1 11 THR HB H -0.711 -1.511 1.671 1.00 . A A . 11 THR HB 1 1 6 1949 1 1 11 THR HG1 H -0.445 -0.989 4.444 1.00 . A A . 11 THR HG1 1 1 6 1950 1 1 11 THR HG21 H 0.034 -3.456 3.058 1.00 . A A . 11 THR HG21 1 1 6 1951 1 1 11 THR HG22 H 1.329 -2.468 3.787 1.00 . A A . 11 THR HG22 1 1 6 1952 1 1 11 THR HG23 H 1.371 -2.863 2.047 1.00 . A A . 11 THR HG23 1 1 6 1953 1 1 11 THR N N -0.108 1.143 2.173 1.00 . A A . 11 THR N 1 1 6 1954 1 1 11 THR O O 3.022 -0.209 1.480 1.00 . A A . 11 THR O 1 1 6 1955 1 1 11 THR OG1 O -0.998 -1.133 3.672 1.00 . A A . 11 THR OG1 1 1 6 1956 1 1 12 ASN C C 3.157 0.975 -1.445 1.00 . A A . 12 ASN C 1 1 6 1957 1 1 12 ASN CA C 2.210 -0.261 -1.262 1.00 . A A . 12 ASN CA 1 1 6 1958 1 1 12 ASN CB C 1.278 -0.500 -2.491 1.00 . A A . 12 ASN CB 1 1 6 1959 1 1 12 ASN CG C 2.006 -0.879 -3.797 1.00 . A A . 12 ASN CG 1 1 6 1960 1 1 12 ASN H H 0.335 -0.195 -0.115 1.00 . A A . 12 ASN H 1 1 6 1961 1 1 12 ASN HA H 2.849 -1.156 -1.127 1.00 . A A . 12 ASN HA 1 1 6 1962 1 1 12 ASN HB2 H 0.520 -1.282 -2.269 1.00 . A A . 12 ASN HB2 1 1 6 1963 1 1 12 ASN HB3 H 0.660 0.401 -2.683 1.00 . A A . 12 ASN HB3 1 1 6 1964 1 1 12 ASN HD21 H 1.965 -2.821 -3.297 1.00 . A A . 12 ASN HD21 1 1 6 1965 1 1 12 ASN HD22 H 2.754 -2.383 -4.894 1.00 . A A . 12 ASN HD22 1 1 6 1966 1 1 12 ASN N N 1.352 -0.198 -0.054 1.00 . A A . 12 ASN N 1 1 6 1967 1 1 12 ASN ND2 N 2.269 -2.158 -4.019 1.00 . A A . 12 ASN ND2 1 1 6 1968 1 1 12 ASN O O 4.312 0.775 -1.831 1.00 . A A . 12 ASN O 1 1 6 1969 1 1 12 ASN OD1 O 2.339 -0.020 -4.614 1.00 . A A . 12 ASN OD1 1 1 6 1970 1 1 13 GLU C C 4.702 3.488 -0.245 1.00 . A A . 13 GLU C 1 1 6 1971 1 1 13 GLU CA C 3.524 3.447 -1.267 1.00 . A A . 13 GLU CA 1 1 6 1972 1 1 13 GLU CB C 2.593 4.694 -1.206 1.00 . A A . 13 GLU CB 1 1 6 1973 1 1 13 GLU CD C 3.878 6.254 -2.831 1.00 . A A . 13 GLU CD 1 1 6 1974 1 1 13 GLU CG C 3.254 6.073 -1.443 1.00 . A A . 13 GLU CG 1 1 6 1975 1 1 13 GLU H H 1.733 2.282 -0.828 1.00 . A A . 13 GLU H 1 1 6 1976 1 1 13 GLU HA H 3.961 3.429 -2.273 1.00 . A A . 13 GLU HA 1 1 6 1977 1 1 13 GLU HB2 H 1.774 4.582 -1.943 1.00 . A A . 13 GLU HB2 1 1 6 1978 1 1 13 GLU HB3 H 2.084 4.721 -0.223 1.00 . A A . 13 GLU HB3 1 1 6 1979 1 1 13 GLU HE2 H 2.072 6.708 -3.399 1.00 . A A . 13 GLU HE2 1 1 6 1980 1 1 13 GLU HG2 H 2.501 6.866 -1.282 1.00 . A A . 13 GLU HG2 1 1 6 1981 1 1 13 GLU HG3 H 4.025 6.258 -0.672 1.00 . A A . 13 GLU HG3 1 1 6 1982 1 1 13 GLU N N 2.694 2.220 -1.170 1.00 . A A . 13 GLU N 1 1 6 1983 1 1 13 GLU O O 5.851 3.660 -0.657 1.00 . A A . 13 GLU O 1 1 6 1984 1 1 13 GLU OE1 O 5.074 6.081 -3.063 1.00 . A A . 13 GLU OE1 1 1 6 1985 1 1 13 GLU OE2 O 2.952 6.625 -3.773 1.00 . A A . 13 GLU OE2 1 1 6 1986 1 1 14 ASN C C 6.509 2.161 2.007 1.00 . A A . 14 ASN C 1 1 6 1987 1 1 14 ASN CA C 5.421 3.274 2.149 1.00 . A A . 14 ASN CA 1 1 6 1988 1 1 14 ASN CB C 4.673 3.235 3.513 1.00 . A A . 14 ASN CB 1 1 6 1989 1 1 14 ASN CG C 5.552 3.514 4.750 1.00 . A A . 14 ASN CG 1 1 6 1990 1 1 14 ASN H H 3.407 3.214 1.238 1.00 . A A . 14 ASN H 1 1 6 1991 1 1 14 ASN HA H 5.940 4.241 2.094 1.00 . A A . 14 ASN HA 1 1 6 1992 1 1 14 ASN HB2 H 3.872 4.000 3.521 1.00 . A A . 14 ASN HB2 1 1 6 1993 1 1 14 ASN HB3 H 4.132 2.274 3.622 1.00 . A A . 14 ASN HB3 1 1 6 1994 1 1 14 ASN HD21 H 5.537 1.568 5.239 1.00 . A A . 14 ASN HD21 1 1 6 1995 1 1 14 ASN HD22 H 6.474 2.702 6.336 1.00 . A A . 14 ASN HD22 1 1 6 1996 1 1 14 ASN N N 4.409 3.307 1.058 1.00 . A A . 14 ASN N 1 1 6 1997 1 1 14 ASN ND2 N 5.888 2.490 5.521 1.00 . A A . 14 ASN ND2 1 1 6 1998 1 1 14 ASN O O 7.702 2.462 2.108 1.00 . A A . 14 ASN O 1 1 6 1999 1 1 14 ASN OD1 O 5.933 4.653 5.019 1.00 . A A . 14 ASN OD1 1 1 6 2000 1 1 15 ASN C C 7.912 -0.168 0.299 1.00 . A A . 15 ASN C 1 1 6 2001 1 1 15 ASN CA C 7.005 -0.254 1.567 1.00 . A A . 15 ASN CA 1 1 6 2002 1 1 15 ASN CB C 6.207 -1.595 1.584 1.00 . A A . 15 ASN CB 1 1 6 2003 1 1 15 ASN CG C 5.680 -2.028 2.970 1.00 . A A . 15 ASN CG 1 1 6 2004 1 1 15 ASN H H 5.079 0.804 1.714 1.00 . A A . 15 ASN H 1 1 6 2005 1 1 15 ASN HA H 7.682 -0.246 2.440 1.00 . A A . 15 ASN HA 1 1 6 2006 1 1 15 ASN HB2 H 5.356 -1.547 0.875 1.00 . A A . 15 ASN HB2 1 1 6 2007 1 1 15 ASN HB3 H 6.828 -2.418 1.175 1.00 . A A . 15 ASN HB3 1 1 6 2008 1 1 15 ASN HD21 H 7.405 -2.978 3.359 1.00 . A A . 15 ASN HD21 1 1 6 2009 1 1 15 ASN HD22 H 6.108 -3.028 4.656 1.00 . A A . 15 ASN HD22 1 1 6 2010 1 1 15 ASN N N 6.091 0.903 1.771 1.00 . A A . 15 ASN N 1 1 6 2011 1 1 15 ASN ND2 N 6.479 -2.752 3.741 1.00 . A A . 15 ASN ND2 1 1 6 2012 1 1 15 ASN O O 9.071 -0.583 0.377 1.00 . A A . 15 ASN O 1 1 6 2013 1 1 15 ASN OD1 O 4.555 -1.718 3.358 1.00 . A A . 15 ASN OD1 1 1 6 2014 1 1 16 ASP C C 8.646 2.006 -2.282 1.00 . A A . 16 ASP C 1 1 6 2015 1 1 16 ASP CA C 8.163 0.523 -2.096 1.00 . A A . 16 ASP CA 1 1 6 2016 1 1 16 ASP CB C 7.297 -0.045 -3.259 1.00 . A A . 16 ASP CB 1 1 6 2017 1 1 16 ASP CG C 8.057 -0.302 -4.567 1.00 . A A . 16 ASP CG 1 1 6 2018 1 1 16 ASP H H 6.549 0.883 -0.697 1.00 . A A . 16 ASP H 1 1 6 2019 1 1 16 ASP HA H 9.060 -0.100 -2.019 1.00 . A A . 16 ASP HA 1 1 6 2020 1 1 16 ASP HB2 H 6.824 -1.003 -2.964 1.00 . A A . 16 ASP HB2 1 1 6 2021 1 1 16 ASP HB3 H 6.448 0.634 -3.467 1.00 . A A . 16 ASP HB3 1 1 6 2022 1 1 16 ASP HD2 H 9.190 -1.663 -5.376 1.00 . A A . 16 ASP HD2 1 1 6 2023 1 1 16 ASP N N 7.394 0.343 -0.841 1.00 . A A . 16 ASP N 1 1 6 2024 1 1 16 ASP O O 8.495 2.611 -3.348 1.00 . A A . 16 ASP O 1 1 6 2025 1 1 16 ASP OD1 O 8.067 0.486 -5.512 1.00 . A A . 16 ASP OD1 1 1 6 2026 1 1 16 ASP OD2 O 8.716 -1.505 -4.556 1.00 . A A . 16 ASP OD2 1 1 6 2027 1 1 17 LYS C C 11.028 3.828 -0.168 1.00 . A A . 17 LYS C 1 1 6 2028 1 1 17 LYS CA C 9.845 3.919 -1.176 1.00 . A A . 17 LYS CA 1 1 6 2029 1 1 17 LYS CB C 8.737 4.977 -0.893 1.00 . A A . 17 LYS CB 1 1 6 2030 1 1 17 LYS CD C 9.813 6.889 0.474 1.00 . A A . 17 LYS CD 1 1 6 2031 1 1 17 LYS CE C 10.043 8.403 0.642 1.00 . A A . 17 LYS CE 1 1 6 2032 1 1 17 LYS CG C 9.154 6.463 -0.855 1.00 . A A . 17 LYS CG 1 1 6 2033 1 1 17 LYS H H 9.137 2.084 -0.341 1.00 . A A . 17 LYS H 1 1 6 2034 1 1 17 LYS HA H 10.276 4.119 -2.160 1.00 . A A . 17 LYS HA 1 1 6 2035 1 1 17 LYS HB2 H 7.974 4.887 -1.690 1.00 . A A . 17 LYS HB2 1 1 6 2036 1 1 17 LYS HB3 H 8.195 4.725 0.040 1.00 . A A . 17 LYS HB3 1 1 6 2037 1 1 17 LYS HD2 H 9.228 6.485 1.324 1.00 . A A . 17 LYS HD2 1 1 6 2038 1 1 17 LYS HD3 H 10.794 6.387 0.548 1.00 . A A . 17 LYS HD3 1 1 6 2039 1 1 17 LYS HE2 H 10.709 8.576 1.508 1.00 . A A . 17 LYS HE2 1 1 6 2040 1 1 17 LYS HE3 H 10.580 8.813 -0.234 1.00 . A A . 17 LYS HE3 1 1 6 2041 1 1 17 LYS HG2 H 9.815 6.700 -1.710 1.00 . A A . 17 LYS HG2 1 1 6 2042 1 1 17 LYS HG3 H 8.244 7.071 -1.012 1.00 . A A . 17 LYS HG3 1 1 6 2043 1 1 17 LYS HZ2 H 8.159 9.024 0.064 1.00 . A A . 17 LYS HZ2 1 1 6 2044 1 1 17 LYS HZ3 H 8.299 8.799 1.677 1.00 . A A . 17 LYS HZ3 1 1 6 2045 1 1 17 LYS N N 9.268 2.564 -1.227 1.00 . A A . 17 LYS N 1 1 6 2046 1 1 17 LYS NZ N 8.796 9.162 0.856 1.00 . A A . 17 LYS NZ 1 1 6 2047 1 1 17 LYS O O 12.183 3.979 -0.579 1.00 . A A . 17 LYS O 1 1 6 2048 1 1 18 SER C C 12.615 2.111 2.009 1.00 . A A . 18 SER C 1 1 6 2049 1 1 18 SER CA C 11.790 3.427 2.187 1.00 . A A . 18 SER CA 1 1 6 2050 1 1 18 SER CB C 11.169 3.553 3.612 1.00 . A A . 18 SER CB 1 1 6 2051 1 1 18 SER H H 9.737 3.462 1.289 1.00 . A A . 18 SER H 1 1 6 2052 1 1 18 SER HA H 12.525 4.243 2.041 1.00 . A A . 18 SER HA 1 1 6 2053 1 1 18 SER HB2 H 10.489 4.424 3.749 1.00 . A A . 18 SER HB2 1 1 6 2054 1 1 18 SER HB3 H 10.543 2.670 3.841 1.00 . A A . 18 SER HB3 1 1 6 2055 1 1 18 SER HG H 12.728 2.850 4.491 1.00 . A A . 18 SER HG 1 1 6 2056 1 1 18 SER N N 10.744 3.586 1.133 1.00 . A A . 18 SER N 1 1 6 2057 1 1 18 SER O O 13.846 2.181 1.946 1.00 . A A . 18 SER O 1 1 6 2058 1 1 18 SER OG O 12.200 3.646 4.588 1.00 . A A . 18 SER OG 1 1 6 2059 1 1 19 GLU C C 12.431 -0.771 0.202 1.00 . A A . 19 GLU C 1 1 6 2060 1 1 19 GLU CA C 12.603 -0.368 1.703 1.00 . A A . 19 GLU CA 1 1 6 2061 1 1 19 GLU CB C 12.025 -1.380 2.736 1.00 . A A . 19 GLU CB 1 1 6 2062 1 1 19 GLU CD C 14.181 -2.689 3.340 1.00 . A A . 19 GLU CD 1 1 6 2063 1 1 19 GLU CG C 12.746 -2.735 2.803 1.00 . A A . 19 GLU CG 1 1 6 2064 1 1 19 GLU H H 10.931 1.042 1.945 1.00 . A A . 19 GLU H 1 1 6 2065 1 1 19 GLU HA H 13.688 -0.287 1.914 1.00 . A A . 19 GLU HA 1 1 6 2066 1 1 19 GLU HB2 H 12.029 -0.937 3.751 1.00 . A A . 19 GLU HB2 1 1 6 2067 1 1 19 GLU HB3 H 10.961 -1.602 2.518 1.00 . A A . 19 GLU HB3 1 1 6 2068 1 1 19 GLU HE2 H 13.343 -2.678 5.097 1.00 . A A . 19 GLU HE2 1 1 6 2069 1 1 19 GLU HG2 H 12.137 -3.402 3.437 1.00 . A A . 19 GLU HG2 1 1 6 2070 1 1 19 GLU HG3 H 12.737 -3.189 1.796 1.00 . A A . 19 GLU HG3 1 1 6 2071 1 1 19 GLU N N 11.945 0.944 1.922 1.00 . A A . 19 GLU N 1 1 6 2072 1 1 19 GLU O O 11.682 -1.691 -0.141 1.00 . A A . 19 GLU O 1 1 6 2073 1 1 19 GLU OE1 O 15.175 -2.676 2.615 1.00 . A A . 19 GLU OE1 1 1 6 2074 1 1 19 GLU OE2 O 14.222 -2.663 4.711 1.00 . A A . 19 GLU OE2 1 1 6 2075 1 1 20 LEU C C 14.184 -1.394 -2.546 1.00 . A A . 20 LEU C 1 1 6 2076 1 1 20 LEU CA C 13.141 -0.301 -2.156 1.00 . A A . 20 LEU CA 1 1 6 2077 1 1 20 LEU CB C 13.296 1.057 -2.937 1.00 . A A . 20 LEU CB 1 1 6 2078 1 1 20 LEU CD1 C 11.516 0.760 -4.784 1.00 . A A . 20 LEU CD1 1 1 6 2079 1 1 20 LEU CD2 C 13.492 2.281 -5.165 1.00 . A A . 20 LEU CD2 1 1 6 2080 1 1 20 LEU CG C 13.005 0.997 -4.464 1.00 . A A . 20 LEU CG 1 1 6 2081 1 1 20 LEU H H 13.692 0.689 -0.227 1.00 . A A . 20 LEU H 1 1 6 2082 1 1 20 LEU HA H 12.157 -0.743 -2.417 1.00 . A A . 20 LEU HA 1 1 6 2083 1 1 20 LEU HB2 H 12.679 1.878 -2.503 1.00 . A A . 20 LEU HB2 1 1 6 2084 1 1 20 LEU HB3 H 14.336 1.416 -2.802 1.00 . A A . 20 LEU HB3 1 1 6 2085 1 1 20 LEU HD11 H 10.871 1.561 -4.376 1.00 . A A . 20 LEU HD11 1 1 6 2086 1 1 20 LEU HD12 H 11.333 0.716 -5.874 1.00 . A A . 20 LEU HD12 1 1 6 2087 1 1 20 LEU HD13 H 11.154 -0.197 -4.369 1.00 . A A . 20 LEU HD13 1 1 6 2088 1 1 20 LEU HD21 H 13.335 2.234 -6.259 1.00 . A A . 20 LEU HD21 1 1 6 2089 1 1 20 LEU HD22 H 14.574 2.445 -5.008 1.00 . A A . 20 LEU HD22 1 1 6 2090 1 1 20 LEU HD23 H 12.967 3.182 -4.796 1.00 . A A . 20 LEU HD23 1 1 6 2091 1 1 20 LEU HG H 13.581 0.157 -4.897 1.00 . A A . 20 LEU HG 1 1 6 2092 1 1 20 LEU N N 13.160 -0.061 -0.682 1.00 . A A . 20 LEU N 1 1 6 2093 1 1 20 LEU O O 13.781 -2.489 -2.953 1.00 . A A . 20 LEU O 1 1 6 2094 1 1 21 ILE C C 16.781 -3.152 -1.572 1.00 . A A . 21 ILE C 1 1 6 2095 1 1 21 ILE CA C 16.585 -2.094 -2.711 1.00 . A A . 21 ILE CA 1 1 6 2096 1 1 21 ILE CB C 17.913 -1.411 -3.225 1.00 . A A . 21 ILE CB 1 1 6 2097 1 1 21 ILE CD1 C 18.314 -2.911 -5.344 1.00 . A A . 21 ILE CD1 1 1 6 2098 1 1 21 ILE CG1 C 18.854 -2.381 -4.005 1.00 . A A . 21 ILE CG1 1 1 6 2099 1 1 21 ILE CG2 C 18.767 -0.690 -2.145 1.00 . A A . 21 ILE CG2 1 1 6 2100 1 1 21 ILE H H 15.632 -0.156 -2.054 1.00 . A A . 21 ILE H 1 1 6 2101 1 1 21 ILE HA H 16.217 -2.675 -3.578 1.00 . A A . 21 ILE HA 1 1 6 2102 1 1 21 ILE HB H 17.617 -0.627 -3.950 1.00 . A A . 21 ILE HB 1 1 6 2103 1 1 21 ILE HD11 H 17.434 -3.566 -5.211 1.00 . A A . 21 ILE HD11 1 1 6 2104 1 1 21 ILE HD12 H 18.022 -2.088 -6.022 1.00 . A A . 21 ILE HD12 1 1 6 2105 1 1 21 ILE HD13 H 19.081 -3.510 -5.869 1.00 . A A . 21 ILE HD13 1 1 6 2106 1 1 21 ILE HG12 H 19.809 -1.870 -4.233 1.00 . A A . 21 ILE HG12 1 1 6 2107 1 1 21 ILE HG13 H 19.135 -3.237 -3.364 1.00 . A A . 21 ILE HG13 1 1 6 2108 1 1 21 ILE HG21 H 18.179 0.034 -1.555 1.00 . A A . 21 ILE HG21 1 1 6 2109 1 1 21 ILE HG22 H 19.605 -0.123 -2.596 1.00 . A A . 21 ILE HG22 1 1 6 2110 1 1 21 ILE HG23 H 19.230 -1.399 -1.431 1.00 . A A . 21 ILE HG23 1 1 6 2111 1 1 21 ILE N N 15.496 -1.107 -2.410 1.00 . A A . 21 ILE N 1 1 6 2112 1 1 21 ILE O O 16.789 -4.353 -1.842 1.00 . A A . 21 ILE O 1 1 7 2113 1 1 1 TYR C C -12.917 -4.853 1.722 1.00 . A A . 1 TYR C 1 1 7 2114 1 1 1 TYR CA C -13.753 -5.071 3.012 1.00 . A A . 1 TYR CA 1 1 7 2115 1 1 1 TYR CB C -13.774 -3.777 3.880 1.00 . A A . 1 TYR CB 1 1 7 2116 1 1 1 TYR CD1 C -16.116 -3.501 4.856 1.00 . A A . 1 TYR CD1 1 1 7 2117 1 1 1 TYR CD2 C -14.321 -4.117 6.351 1.00 . A A . 1 TYR CD2 1 1 7 2118 1 1 1 TYR CE1 C -17.014 -3.539 5.921 1.00 . A A . 1 TYR CE1 1 1 7 2119 1 1 1 TYR CE2 C -15.220 -4.156 7.414 1.00 . A A . 1 TYR CE2 1 1 7 2120 1 1 1 TYR CG C -14.762 -3.793 5.062 1.00 . A A . 1 TYR CG 1 1 7 2121 1 1 1 TYR CZ C -16.566 -3.866 7.199 1.00 . A A . 1 TYR CZ 1 1 7 2122 1 1 1 TYR H1 H -12.147 -6.273 3.921 1.00 . A A . 1 TYR H1 1 1 7 2123 1 1 1 TYR HA H -14.802 -5.283 2.725 1.00 . A A . 1 TYR HA 1 1 7 2124 1 1 1 TYR HB2 H -12.749 -3.552 4.245 1.00 . A A . 1 TYR HB2 1 1 7 2125 1 1 1 TYR HB3 H -14.035 -2.914 3.230 1.00 . A A . 1 TYR HB3 1 1 7 2126 1 1 1 TYR HD1 H -16.479 -3.252 3.869 1.00 . A A . 1 TYR HD1 1 1 7 2127 1 1 1 TYR HD2 H -13.281 -4.352 6.531 1.00 . A A . 1 TYR HD2 1 1 7 2128 1 1 1 TYR HE1 H -18.057 -3.316 5.751 1.00 . A A . 1 TYR HE1 1 1 7 2129 1 1 1 TYR HE2 H -14.870 -4.412 8.403 1.00 . A A . 1 TYR HE2 1 1 7 2130 1 1 1 TYR HH H -16.978 -4.146 9.047 1.00 . A A . 1 TYR HH 1 1 7 2131 1 1 1 TYR N N -13.156 -6.225 3.745 1.00 . A A . 1 TYR N 1 1 7 2132 1 1 1 TYR O O -11.735 -4.495 1.788 1.00 . A A . 1 TYR O 1 1 7 2133 1 1 1 TYR OH O -17.451 -3.905 8.247 1.00 . A A . 1 TYR OH 1 1 7 2134 1 1 2 ASP C C -13.075 -3.382 -1.212 1.00 . A A . 2 ASP C 1 1 7 2135 1 1 2 ASP CA C -12.895 -4.864 -0.773 1.00 . A A . 2 ASP CA 1 1 7 2136 1 1 2 ASP CB C -13.452 -5.877 -1.814 1.00 . A A . 2 ASP CB 1 1 7 2137 1 1 2 ASP CG C -12.639 -5.950 -3.115 1.00 . A A . 2 ASP CG 1 1 7 2138 1 1 2 ASP H H -14.543 -5.305 0.656 1.00 . A A . 2 ASP H 1 1 7 2139 1 1 2 ASP HA H -11.815 -5.102 -0.665 1.00 . A A . 2 ASP HA 1 1 7 2140 1 1 2 ASP HB2 H -13.481 -6.895 -1.378 1.00 . A A . 2 ASP HB2 1 1 7 2141 1 1 2 ASP HB3 H -14.503 -5.646 -2.076 1.00 . A A . 2 ASP HB3 1 1 7 2142 1 1 2 ASP HD2 H -11.046 -6.821 -3.819 1.00 . A A . 2 ASP HD2 1 1 7 2143 1 1 2 ASP N N -13.552 -5.060 0.551 1.00 . A A . 2 ASP N 1 1 7 2144 1 1 2 ASP O O -14.192 -2.943 -1.507 1.00 . A A . 2 ASP O 1 1 7 2145 1 1 2 ASP OD1 O -12.935 -5.326 -4.134 1.00 . A A . 2 ASP OD1 1 1 7 2146 1 1 2 ASP OD2 O -11.552 -6.781 -3.005 1.00 . A A . 2 ASP OD2 1 1 7 2147 1 1 3 ASN C C -10.522 -1.032 -2.246 1.00 . A A . 3 ASN C 1 1 7 2148 1 1 3 ASN CA C -11.934 -1.210 -1.635 1.00 . A A . 3 ASN CA 1 1 7 2149 1 1 3 ASN CB C -12.172 -0.211 -0.464 1.00 . A A . 3 ASN CB 1 1 7 2150 1 1 3 ASN CG C -13.586 -0.206 0.148 1.00 . A A . 3 ASN CG 1 1 7 2151 1 1 3 ASN H H -11.068 -3.113 -1.224 1.00 . A A . 3 ASN H 1 1 7 2152 1 1 3 ASN HA H -12.702 -1.045 -2.411 1.00 . A A . 3 ASN HA 1 1 7 2153 1 1 3 ASN HB2 H -11.446 -0.405 0.349 1.00 . A A . 3 ASN HB2 1 1 7 2154 1 1 3 ASN HB3 H -11.926 0.814 -0.808 1.00 . A A . 3 ASN HB3 1 1 7 2155 1 1 3 ASN HD21 H -14.205 1.131 -1.213 1.00 . A A . 3 ASN HD21 1 1 7 2156 1 1 3 ASN HD22 H -15.437 0.557 0.020 1.00 . A A . 3 ASN HD22 1 1 7 2157 1 1 3 ASN N N -11.962 -2.624 -1.223 1.00 . A A . 3 ASN N 1 1 7 2158 1 1 3 ASN ND2 N -14.503 0.574 -0.405 1.00 . A A . 3 ASN ND2 1 1 7 2159 1 1 3 ASN O O -9.519 -0.982 -1.524 1.00 . A A . 3 ASN O 1 1 7 2160 1 1 3 ASN OD1 O -13.862 -0.907 1.121 1.00 . A A . 3 ASN OD1 1 1 7 2161 1 1 4 ILE C C -8.350 0.540 -3.922 1.00 . A A . 4 ILE C 1 1 7 2162 1 1 4 ILE CA C -9.186 -0.719 -4.350 1.00 . A A . 4 ILE CA 1 1 7 2163 1 1 4 ILE CB C -9.477 -0.851 -5.889 1.00 . A A . 4 ILE CB 1 1 7 2164 1 1 4 ILE CD1 C -7.313 -0.012 -7.229 1.00 . A A . 4 ILE CD1 1 1 7 2165 1 1 4 ILE CG1 C -8.230 -1.164 -6.775 1.00 . A A . 4 ILE CG1 1 1 7 2166 1 1 4 ILE CG2 C -10.331 0.301 -6.468 1.00 . A A . 4 ILE CG2 1 1 7 2167 1 1 4 ILE H H -11.350 -1.075 -4.070 1.00 . A A . 4 ILE H 1 1 7 2168 1 1 4 ILE HA H -8.560 -1.589 -4.106 1.00 . A A . 4 ILE HA 1 1 7 2169 1 1 4 ILE HB H -10.102 -1.759 -5.999 1.00 . A A . 4 ILE HB 1 1 7 2170 1 1 4 ILE HD11 H -7.857 0.725 -7.848 1.00 . A A . 4 ILE HD11 1 1 7 2171 1 1 4 ILE HD12 H -6.860 0.535 -6.387 1.00 . A A . 4 ILE HD12 1 1 7 2172 1 1 4 ILE HD13 H -6.480 -0.395 -7.846 1.00 . A A . 4 ILE HD13 1 1 7 2173 1 1 4 ILE HG12 H -7.610 -1.930 -6.274 1.00 . A A . 4 ILE HG12 1 1 7 2174 1 1 4 ILE HG13 H -8.585 -1.668 -7.694 1.00 . A A . 4 ILE HG13 1 1 7 2175 1 1 4 ILE HG21 H -11.285 0.407 -5.919 1.00 . A A . 4 ILE HG21 1 1 7 2176 1 1 4 ILE HG22 H -10.582 0.121 -7.528 1.00 . A A . 4 ILE HG22 1 1 7 2177 1 1 4 ILE HG23 H -9.806 1.271 -6.404 1.00 . A A . 4 ILE HG23 1 1 7 2178 1 1 4 ILE N N -10.458 -0.938 -3.588 1.00 . A A . 4 ILE N 1 1 7 2179 1 1 4 ILE O O -7.119 0.480 -3.934 1.00 . A A . 4 ILE O 1 1 7 2180 1 1 5 LEU C C -7.752 2.756 -1.620 1.00 . A A . 5 LEU C 1 1 7 2181 1 1 5 LEU CA C -8.360 2.886 -3.042 1.00 . A A . 5 LEU CA 1 1 7 2182 1 1 5 LEU CB C -9.351 4.085 -3.221 1.00 . A A . 5 LEU CB 1 1 7 2183 1 1 5 LEU CD1 C -8.433 6.036 -1.759 1.00 . A A . 5 LEU CD1 1 1 7 2184 1 1 5 LEU CD2 C -7.680 5.821 -4.179 1.00 . A A . 5 LEU CD2 1 1 7 2185 1 1 5 LEU CG C -8.813 5.545 -3.170 1.00 . A A . 5 LEU CG 1 1 7 2186 1 1 5 LEU H H -9.997 1.451 -3.308 1.00 . A A . 5 LEU H 1 1 7 2187 1 1 5 LEU HA H -7.504 3.007 -3.717 1.00 . A A . 5 LEU HA 1 1 7 2188 1 1 5 LEU HB2 H -9.865 3.986 -4.199 1.00 . A A . 5 LEU HB2 1 1 7 2189 1 1 5 LEU HB3 H -10.184 3.991 -2.494 1.00 . A A . 5 LEU HB3 1 1 7 2190 1 1 5 LEU HD11 H -7.515 5.559 -1.375 1.00 . A A . 5 LEU HD11 1 1 7 2191 1 1 5 LEU HD12 H -9.239 5.840 -1.028 1.00 . A A . 5 LEU HD12 1 1 7 2192 1 1 5 LEU HD13 H -8.253 7.128 -1.748 1.00 . A A . 5 LEU HD13 1 1 7 2193 1 1 5 LEU HD21 H -7.420 6.896 -4.217 1.00 . A A . 5 LEU HD21 1 1 7 2194 1 1 5 LEU HD22 H -6.754 5.271 -3.926 1.00 . A A . 5 LEU HD22 1 1 7 2195 1 1 5 LEU HD23 H -7.968 5.526 -5.205 1.00 . A A . 5 LEU HD23 1 1 7 2196 1 1 5 LEU HG H -9.661 6.183 -3.483 1.00 . A A . 5 LEU HG 1 1 7 2197 1 1 5 LEU N N -9.016 1.641 -3.515 1.00 . A A . 5 LEU N 1 1 7 2198 1 1 5 LEU O O -6.583 3.105 -1.443 1.00 . A A . 5 LEU O 1 1 7 2199 1 1 6 VAL C C -6.806 1.053 0.804 1.00 . A A . 6 VAL C 1 1 7 2200 1 1 6 VAL CA C -8.027 2.044 0.778 1.00 . A A . 6 VAL CA 1 1 7 2201 1 1 6 VAL CB C -9.179 1.606 1.757 1.00 . A A . 6 VAL CB 1 1 7 2202 1 1 6 VAL CG1 C -8.723 1.565 3.236 1.00 . A A . 6 VAL CG1 1 1 7 2203 1 1 6 VAL CG2 C -10.442 2.486 1.670 1.00 . A A . 6 VAL CG2 1 1 7 2204 1 1 6 VAL H H -9.481 2.053 -0.914 1.00 . A A . 6 VAL H 1 1 7 2205 1 1 6 VAL HA H -7.653 3.022 1.136 1.00 . A A . 6 VAL HA 1 1 7 2206 1 1 6 VAL HB H -9.511 0.586 1.495 1.00 . A A . 6 VAL HB 1 1 7 2207 1 1 6 VAL HG11 H -9.536 1.236 3.910 1.00 . A A . 6 VAL HG11 1 1 7 2208 1 1 6 VAL HG12 H -7.890 0.855 3.390 1.00 . A A . 6 VAL HG12 1 1 7 2209 1 1 6 VAL HG13 H -8.378 2.554 3.591 1.00 . A A . 6 VAL HG13 1 1 7 2210 1 1 6 VAL HG21 H -10.881 2.451 0.656 1.00 . A A . 6 VAL HG21 1 1 7 2211 1 1 6 VAL HG22 H -10.217 3.543 1.897 1.00 . A A . 6 VAL HG22 1 1 7 2212 1 1 6 VAL HG23 H -11.229 2.136 2.360 1.00 . A A . 6 VAL HG23 1 1 7 2213 1 1 6 VAL N N -8.521 2.267 -0.624 1.00 . A A . 6 VAL N 1 1 7 2214 1 1 6 VAL O O -5.818 1.312 1.497 1.00 . A A . 6 VAL O 1 1 7 2215 1 1 7 LYS C C -4.533 -0.502 -0.782 1.00 . A A . 7 LYS C 1 1 7 2216 1 1 7 LYS CA C -5.820 -1.067 -0.106 1.00 . A A . 7 LYS CA 1 1 7 2217 1 1 7 LYS CB C -6.401 -2.323 -0.826 1.00 . A A . 7 LYS CB 1 1 7 2218 1 1 7 LYS CD C -4.788 -4.129 0.156 1.00 . A A . 7 LYS CD 1 1 7 2219 1 1 7 LYS CE C -3.822 -5.298 -0.123 1.00 . A A . 7 LYS CE 1 1 7 2220 1 1 7 LYS CG C -5.455 -3.521 -1.100 1.00 . A A . 7 LYS CG 1 1 7 2221 1 1 7 LYS H H -7.778 -0.098 -0.490 1.00 . A A . 7 LYS H 1 1 7 2222 1 1 7 LYS HA H -5.541 -1.360 0.919 1.00 . A A . 7 LYS HA 1 1 7 2223 1 1 7 LYS HB2 H -7.266 -2.700 -0.248 1.00 . A A . 7 LYS HB2 1 1 7 2224 1 1 7 LYS HB3 H -6.831 -2.017 -1.800 1.00 . A A . 7 LYS HB3 1 1 7 2225 1 1 7 LYS HD2 H -4.213 -3.338 0.671 1.00 . A A . 7 LYS HD2 1 1 7 2226 1 1 7 LYS HD3 H -5.562 -4.442 0.883 1.00 . A A . 7 LYS HD3 1 1 7 2227 1 1 7 LYS HE2 H -3.070 -5.007 -0.880 1.00 . A A . 7 LYS HE2 1 1 7 2228 1 1 7 LYS HE3 H -3.248 -5.522 0.794 1.00 . A A . 7 LYS HE3 1 1 7 2229 1 1 7 LYS HG2 H -6.044 -4.309 -1.607 1.00 . A A . 7 LYS HG2 1 1 7 2230 1 1 7 LYS HG3 H -4.680 -3.237 -1.840 1.00 . A A . 7 LYS HG3 1 1 7 2231 1 1 7 LYS HZ2 H -3.816 -7.268 -0.748 1.00 . A A . 7 LYS HZ2 1 1 7 2232 1 1 7 LYS HZ3 H -4.991 -6.371 -1.447 1.00 . A A . 7 LYS HZ3 1 1 7 2233 1 1 7 LYS N N -6.896 -0.053 0.034 1.00 . A A . 7 LYS N 1 1 7 2234 1 1 7 LYS NZ N -4.506 -6.532 -0.558 1.00 . A A . 7 LYS NZ 1 1 7 2235 1 1 7 LYS O O -3.453 -0.670 -0.214 1.00 . A A . 7 LYS O 1 1 7 2236 1 1 8 MET C C -2.812 2.004 -1.926 1.00 . A A . 8 MET C 1 1 7 2237 1 1 8 MET CA C -3.470 0.780 -2.640 1.00 . A A . 8 MET CA 1 1 7 2238 1 1 8 MET CB C -3.738 1.034 -4.136 1.00 . A A . 8 MET CB 1 1 7 2239 1 1 8 MET CE C -1.562 -1.353 -5.266 1.00 . A A . 8 MET CE 1 1 7 2240 1 1 8 MET CG C -4.111 -0.190 -5.001 1.00 . A A . 8 MET CG 1 1 7 2241 1 1 8 MET H H -5.594 0.309 -2.280 1.00 . A A . 8 MET H 1 1 7 2242 1 1 8 MET HA H -2.694 0.020 -2.652 1.00 . A A . 8 MET HA 1 1 7 2243 1 1 8 MET HB2 H -4.514 1.794 -4.236 1.00 . A A . 8 MET HB2 1 1 7 2244 1 1 8 MET HB3 H -2.834 1.488 -4.585 1.00 . A A . 8 MET HB3 1 1 7 2245 1 1 8 MET HE1 H -0.882 -2.206 -5.089 1.00 . A A . 8 MET HE1 1 1 7 2246 1 1 8 MET HE2 H -1.637 -1.195 -6.357 1.00 . A A . 8 MET HE2 1 1 7 2247 1 1 8 MET HE3 H -1.105 -0.454 -4.815 1.00 . A A . 8 MET HE3 1 1 7 2248 1 1 8 MET HG2 H -5.198 -0.408 -4.954 1.00 . A A . 8 MET HG2 1 1 7 2249 1 1 8 MET HG3 H -3.899 0.047 -6.052 1.00 . A A . 8 MET HG3 1 1 7 2250 1 1 8 MET N N -4.639 0.169 -1.948 1.00 . A A . 8 MET N 1 1 7 2251 1 1 8 MET O O -1.623 2.239 -2.159 1.00 . A A . 8 MET O 1 1 7 2252 1 1 8 MET SD S -3.186 -1.682 -4.548 1.00 . A A . 8 MET SD 1 1 7 2253 1 1 9 PHE C C -2.026 3.390 0.813 1.00 . A A . 9 PHE C 1 1 7 2254 1 1 9 PHE CA C -2.961 3.917 -0.323 1.00 . A A . 9 PHE CA 1 1 7 2255 1 1 9 PHE CB C -4.104 4.850 0.173 1.00 . A A . 9 PHE CB 1 1 7 2256 1 1 9 PHE CD1 C -3.283 7.267 0.099 1.00 . A A . 9 PHE CD1 1 1 7 2257 1 1 9 PHE CD2 C -3.505 6.200 2.256 1.00 . A A . 9 PHE CD2 1 1 7 2258 1 1 9 PHE CE1 C -2.822 8.425 0.722 1.00 . A A . 9 PHE CE1 1 1 7 2259 1 1 9 PHE CE2 C -3.042 7.359 2.875 1.00 . A A . 9 PHE CE2 1 1 7 2260 1 1 9 PHE CG C -3.627 6.145 0.862 1.00 . A A . 9 PHE CG 1 1 7 2261 1 1 9 PHE CZ C -2.703 8.470 2.109 1.00 . A A . 9 PHE CZ 1 1 7 2262 1 1 9 PHE H H -4.472 2.419 -0.848 1.00 . A A . 9 PHE H 1 1 7 2263 1 1 9 PHE HA H -2.340 4.509 -1.019 1.00 . A A . 9 PHE HA 1 1 7 2264 1 1 9 PHE HB2 H -4.752 5.125 -0.682 1.00 . A A . 9 PHE HB2 1 1 7 2265 1 1 9 PHE HB3 H -4.780 4.290 0.849 1.00 . A A . 9 PHE HB3 1 1 7 2266 1 1 9 PHE HD1 H -3.362 7.244 -0.979 1.00 . A A . 9 PHE HD1 1 1 7 2267 1 1 9 PHE HD2 H -3.755 5.342 2.864 1.00 . A A . 9 PHE HD2 1 1 7 2268 1 1 9 PHE HE1 H -2.554 9.288 0.129 1.00 . A A . 9 PHE HE1 1 1 7 2269 1 1 9 PHE HE2 H -2.941 7.393 3.950 1.00 . A A . 9 PHE HE2 1 1 7 2270 1 1 9 PHE HZ H -2.342 9.367 2.590 1.00 . A A . 9 PHE HZ 1 1 7 2271 1 1 9 PHE N N -3.537 2.773 -1.080 1.00 . A A . 9 PHE N 1 1 7 2272 1 1 9 PHE O O -0.869 3.806 0.877 1.00 . A A . 9 PHE O 1 1 7 2273 1 1 10 LYS C C -0.585 0.904 2.309 1.00 . A A . 10 LYS C 1 1 7 2274 1 1 10 LYS CA C -1.733 1.852 2.774 1.00 . A A . 10 LYS CA 1 1 7 2275 1 1 10 LYS CB C -2.658 1.094 3.792 1.00 . A A . 10 LYS CB 1 1 7 2276 1 1 10 LYS CD C -4.704 1.131 5.356 1.00 . A A . 10 LYS CD 1 1 7 2277 1 1 10 LYS CE C -5.765 1.999 6.056 1.00 . A A . 10 LYS CE 1 1 7 2278 1 1 10 LYS CG C -3.715 1.964 4.516 1.00 . A A . 10 LYS CG 1 1 7 2279 1 1 10 LYS H H -3.515 2.282 1.483 1.00 . A A . 10 LYS H 1 1 7 2280 1 1 10 LYS HA H -1.204 2.702 3.255 1.00 . A A . 10 LYS HA 1 1 7 2281 1 1 10 LYS HB2 H -3.167 0.256 3.272 1.00 . A A . 10 LYS HB2 1 1 7 2282 1 1 10 LYS HB3 H -2.067 0.563 4.573 1.00 . A A . 10 LYS HB3 1 1 7 2283 1 1 10 LYS HD2 H -5.203 0.389 4.702 1.00 . A A . 10 LYS HD2 1 1 7 2284 1 1 10 LYS HD3 H -4.143 0.544 6.109 1.00 . A A . 10 LYS HD3 1 1 7 2285 1 1 10 LYS HE2 H -5.282 2.731 6.730 1.00 . A A . 10 LYS HE2 1 1 7 2286 1 1 10 LYS HE3 H -6.333 2.589 5.313 1.00 . A A . 10 LYS HE3 1 1 7 2287 1 1 10 LYS HG2 H -3.211 2.704 5.166 1.00 . A A . 10 LYS HG2 1 1 7 2288 1 1 10 LYS HG3 H -4.287 2.554 3.775 1.00 . A A . 10 LYS HG3 1 1 7 2289 1 1 10 LYS HZ2 H -7.167 0.494 6.223 1.00 . A A . 10 LYS HZ2 1 1 7 2290 1 1 10 LYS HZ3 H -6.197 0.622 7.532 1.00 . A A . 10 LYS HZ3 1 1 7 2291 1 1 10 LYS N N -2.526 2.476 1.670 1.00 . A A . 10 LYS N 1 1 7 2292 1 1 10 LYS NZ N -6.707 1.176 6.835 1.00 . A A . 10 LYS NZ 1 1 7 2293 1 1 10 LYS O O 0.475 0.914 2.940 1.00 . A A . 10 LYS O 1 1 7 2294 1 1 11 THR C C 1.496 0.007 0.141 1.00 . A A . 11 THR C 1 1 7 2295 1 1 11 THR CA C 0.278 -0.804 0.692 1.00 . A A . 11 THR CA 1 1 7 2296 1 1 11 THR CB C -0.348 -1.805 -0.328 1.00 . A A . 11 THR CB 1 1 7 2297 1 1 11 THR CG2 C 0.643 -2.829 -0.902 1.00 . A A . 11 THR CG2 1 1 7 2298 1 1 11 THR H H -1.671 0.185 0.762 1.00 . A A . 11 THR H 1 1 7 2299 1 1 11 THR HA H 0.633 -1.398 1.541 1.00 . A A . 11 THR HA 1 1 7 2300 1 1 11 THR HB H -0.788 -1.243 -1.173 1.00 . A A . 11 THR HB 1 1 7 2301 1 1 11 THR HG1 H -0.970 -3.047 1.007 1.00 . A A . 11 THR HG1 1 1 7 2302 1 1 11 THR HG21 H 0.136 -3.532 -1.587 1.00 . A A . 11 THR HG21 1 1 7 2303 1 1 11 THR HG22 H 1.119 -3.425 -0.102 1.00 . A A . 11 THR HG22 1 1 7 2304 1 1 11 THR HG23 H 1.448 -2.337 -1.478 1.00 . A A . 11 THR HG23 1 1 7 2305 1 1 11 THR N N -0.773 0.097 1.240 1.00 . A A . 11 THR N 1 1 7 2306 1 1 11 THR O O 2.633 -0.258 0.535 1.00 . A A . 11 THR O 1 1 7 2307 1 1 11 THR OG1 O -1.387 -2.558 0.295 1.00 . A A . 11 THR OG1 1 1 7 2308 1 1 12 ASN C C 2.962 2.828 -0.253 1.00 . A A . 12 ASN C 1 1 7 2309 1 1 12 ASN CA C 2.281 1.883 -1.305 1.00 . A A . 12 ASN CA 1 1 7 2310 1 1 12 ASN CB C 1.654 2.653 -2.508 1.00 . A A . 12 ASN CB 1 1 7 2311 1 1 12 ASN CG C 2.679 3.365 -3.415 1.00 . A A . 12 ASN CG 1 1 7 2312 1 1 12 ASN H H 0.264 1.048 -1.025 1.00 . A A . 12 ASN H 1 1 7 2313 1 1 12 ASN HA H 3.060 1.202 -1.700 1.00 . A A . 12 ASN HA 1 1 7 2314 1 1 12 ASN HB2 H 1.031 1.978 -3.133 1.00 . A A . 12 ASN HB2 1 1 7 2315 1 1 12 ASN HB3 H 0.920 3.403 -2.144 1.00 . A A . 12 ASN HB3 1 1 7 2316 1 1 12 ASN HD21 H 2.853 1.727 -4.560 1.00 . A A . 12 ASN HD21 1 1 7 2317 1 1 12 ASN HD22 H 3.863 3.187 -5.025 1.00 . A A . 12 ASN HD22 1 1 7 2318 1 1 12 ASN N N 1.241 0.996 -0.735 1.00 . A A . 12 ASN N 1 1 7 2319 1 1 12 ASN ND2 N 3.183 2.691 -4.438 1.00 . A A . 12 ASN ND2 1 1 7 2320 1 1 12 ASN O O 4.187 2.958 -0.286 1.00 . A A . 12 ASN O 1 1 7 2321 1 1 12 ASN OD1 O 3.025 4.526 -3.198 1.00 . A A . 12 ASN OD1 1 1 7 2322 1 1 13 GLU C C 3.696 3.684 2.776 1.00 . A A . 13 GLU C 1 1 7 2323 1 1 13 GLU CA C 2.759 4.359 1.723 1.00 . A A . 13 GLU CA 1 1 7 2324 1 1 13 GLU CB C 1.576 5.132 2.371 1.00 . A A . 13 GLU CB 1 1 7 2325 1 1 13 GLU CD C 0.749 7.104 3.779 1.00 . A A . 13 GLU CD 1 1 7 2326 1 1 13 GLU CG C 1.963 6.306 3.297 1.00 . A A . 13 GLU CG 1 1 7 2327 1 1 13 GLU H H 1.201 3.250 0.670 1.00 . A A . 13 GLU H 1 1 7 2328 1 1 13 GLU HA H 3.364 5.099 1.181 1.00 . A A . 13 GLU HA 1 1 7 2329 1 1 13 GLU HB2 H 0.936 5.547 1.567 1.00 . A A . 13 GLU HB2 1 1 7 2330 1 1 13 GLU HB3 H 0.929 4.425 2.927 1.00 . A A . 13 GLU HB3 1 1 7 2331 1 1 13 GLU HE2 H 0.481 5.630 5.022 1.00 . A A . 13 GLU HE2 1 1 7 2332 1 1 13 GLU HG2 H 2.528 5.936 4.173 1.00 . A A . 13 GLU HG2 1 1 7 2333 1 1 13 GLU HG3 H 2.652 6.989 2.766 1.00 . A A . 13 GLU HG3 1 1 7 2334 1 1 13 GLU N N 2.203 3.465 0.672 1.00 . A A . 13 GLU N 1 1 7 2335 1 1 13 GLU O O 4.677 4.306 3.189 1.00 . A A . 13 GLU O 1 1 7 2336 1 1 13 GLU OE1 O 0.425 8.193 3.307 1.00 . A A . 13 GLU OE1 1 1 7 2337 1 1 13 GLU OE2 O 0.075 6.468 4.791 1.00 . A A . 13 GLU OE2 1 1 7 2338 1 1 14 ASN C C 5.273 0.778 3.559 1.00 . A A . 14 ASN C 1 1 7 2339 1 1 14 ASN CA C 4.182 1.687 4.200 1.00 . A A . 14 ASN CA 1 1 7 2340 1 1 14 ASN CB C 3.250 0.908 5.178 1.00 . A A . 14 ASN CB 1 1 7 2341 1 1 14 ASN CG C 2.437 1.783 6.157 1.00 . A A . 14 ASN CG 1 1 7 2342 1 1 14 ASN H H 2.471 2.124 2.905 1.00 . A A . 14 ASN H 1 1 7 2343 1 1 14 ASN HA H 4.710 2.419 4.815 1.00 . A A . 14 ASN HA 1 1 7 2344 1 1 14 ASN HB2 H 2.588 0.221 4.615 1.00 . A A . 14 ASN HB2 1 1 7 2345 1 1 14 ASN HB3 H 3.869 0.233 5.800 1.00 . A A . 14 ASN HB3 1 1 7 2346 1 1 14 ASN HD21 H 0.774 1.554 5.056 1.00 . A A . 14 ASN HD21 1 1 7 2347 1 1 14 ASN HD22 H 0.644 2.577 6.573 1.00 . A A . 14 ASN HD22 1 1 7 2348 1 1 14 ASN N N 3.387 2.446 3.206 1.00 . A A . 14 ASN N 1 1 7 2349 1 1 14 ASN ND2 N 1.154 1.990 5.904 1.00 . A A . 14 ASN ND2 1 1 7 2350 1 1 14 ASN O O 6.464 0.997 3.796 1.00 . A A . 14 ASN O 1 1 7 2351 1 1 14 ASN OD1 O 2.965 2.280 7.152 1.00 . A A . 14 ASN OD1 1 1 7 2352 1 1 15 ASN C C 6.632 -0.627 0.888 1.00 . A A . 15 ASN C 1 1 7 2353 1 1 15 ASN CA C 5.782 -1.178 2.073 1.00 . A A . 15 ASN CA 1 1 7 2354 1 1 15 ASN CB C 5.007 -2.452 1.603 1.00 . A A . 15 ASN CB 1 1 7 2355 1 1 15 ASN CG C 4.354 -3.298 2.718 1.00 . A A . 15 ASN CG 1 1 7 2356 1 1 15 ASN H H 3.859 -0.274 2.629 1.00 . A A . 15 ASN H 1 1 7 2357 1 1 15 ASN HA H 6.496 -1.491 2.856 1.00 . A A . 15 ASN HA 1 1 7 2358 1 1 15 ASN HB2 H 4.221 -2.179 0.871 1.00 . A A . 15 ASN HB2 1 1 7 2359 1 1 15 ASN HB3 H 5.672 -3.113 1.011 1.00 . A A . 15 ASN HB3 1 1 7 2360 1 1 15 ASN HD21 H 6.072 -4.292 3.013 1.00 . A A . 15 ASN HD21 1 1 7 2361 1 1 15 ASN HD22 H 4.642 -4.757 4.065 1.00 . A A . 15 ASN HD22 1 1 7 2362 1 1 15 ASN N N 4.867 -0.221 2.752 1.00 . A A . 15 ASN N 1 1 7 2363 1 1 15 ASN ND2 N 5.099 -4.209 3.328 1.00 . A A . 15 ASN ND2 1 1 7 2364 1 1 15 ASN O O 7.761 -1.098 0.721 1.00 . A A . 15 ASN O 1 1 7 2365 1 1 15 ASN OD1 O 3.177 -3.135 3.036 1.00 . A A . 15 ASN OD1 1 1 7 2366 1 1 16 ASP C C 7.327 2.370 -0.677 1.00 . A A . 16 ASP C 1 1 7 2367 1 1 16 ASP CA C 6.859 0.926 -1.054 1.00 . A A . 16 ASP CA 1 1 7 2368 1 1 16 ASP CB C 5.996 0.817 -2.343 1.00 . A A . 16 ASP CB 1 1 7 2369 1 1 16 ASP CG C 6.754 1.081 -3.650 1.00 . A A . 16 ASP CG 1 1 7 2370 1 1 16 ASP H H 5.382 0.868 0.512 1.00 . A A . 16 ASP H 1 1 7 2371 1 1 16 ASP HA H 7.758 0.325 -1.225 1.00 . A A . 16 ASP HA 1 1 7 2372 1 1 16 ASP HB2 H 5.535 -0.187 -2.419 1.00 . A A . 16 ASP HB2 1 1 7 2373 1 1 16 ASP HB3 H 5.141 1.515 -2.288 1.00 . A A . 16 ASP HB3 1 1 7 2374 1 1 16 ASP HD2 H 7.207 -0.810 -3.571 1.00 . A A . 16 ASP HD2 1 1 7 2375 1 1 16 ASP N N 6.108 0.314 0.070 1.00 . A A . 16 ASP N 1 1 7 2376 1 1 16 ASP O O 6.976 3.359 -1.329 1.00 . A A . 16 ASP O 1 1 7 2377 1 1 16 ASP OD1 O 6.800 2.183 -4.195 1.00 . A A . 16 ASP OD1 1 1 7 2378 1 1 16 ASP OD2 O 7.360 -0.049 -4.136 1.00 . A A . 16 ASP OD2 1 1 7 2379 1 1 17 LYS C C 10.220 3.504 1.294 1.00 . A A . 17 LYS C 1 1 7 2380 1 1 17 LYS CA C 8.725 3.706 0.916 1.00 . A A . 17 LYS CA 1 1 7 2381 1 1 17 LYS CB C 7.834 4.282 2.062 1.00 . A A . 17 LYS CB 1 1 7 2382 1 1 17 LYS CD C 6.603 6.202 0.860 1.00 . A A . 17 LYS CD 1 1 7 2383 1 1 17 LYS CE C 6.217 7.693 0.828 1.00 . A A . 17 LYS CE 1 1 7 2384 1 1 17 LYS CG C 7.576 5.801 1.994 1.00 . A A . 17 LYS CG 1 1 7 2385 1 1 17 LYS H H 8.149 1.607 0.944 1.00 . A A . 17 LYS H 1 1 7 2386 1 1 17 LYS HA H 8.725 4.407 0.081 1.00 . A A . 17 LYS HA 1 1 7 2387 1 1 17 LYS HB2 H 6.851 3.777 2.087 1.00 . A A . 17 LYS HB2 1 1 7 2388 1 1 17 LYS HB3 H 8.274 4.043 3.049 1.00 . A A . 17 LYS HB3 1 1 7 2389 1 1 17 LYS HD2 H 7.067 5.945 -0.110 1.00 . A A . 17 LYS HD2 1 1 7 2390 1 1 17 LYS HD3 H 5.691 5.575 0.905 1.00 . A A . 17 LYS HD3 1 1 7 2391 1 1 17 LYS HE2 H 7.122 8.329 0.837 1.00 . A A . 17 LYS HE2 1 1 7 2392 1 1 17 LYS HE3 H 5.705 7.916 -0.127 1.00 . A A . 17 LYS HE3 1 1 7 2393 1 1 17 LYS HG2 H 7.151 6.120 2.965 1.00 . A A . 17 LYS HG2 1 1 7 2394 1 1 17 LYS HG3 H 8.532 6.348 1.896 1.00 . A A . 17 LYS HG3 1 1 7 2395 1 1 17 LYS HZ2 H 5.778 7.893 2.837 1.00 . A A . 17 LYS HZ2 1 1 7 2396 1 1 17 LYS HZ3 H 4.475 7.512 1.925 1.00 . A A . 17 LYS HZ3 1 1 7 2397 1 1 17 LYS N N 8.158 2.449 0.379 1.00 . A A . 17 LYS N 1 1 7 2398 1 1 17 LYS NZ N 5.325 8.086 1.936 1.00 . A A . 17 LYS NZ 1 1 7 2399 1 1 17 LYS O O 11.089 4.147 0.697 1.00 . A A . 17 LYS O 1 1 7 2400 1 1 18 SER C C 12.613 1.332 1.697 1.00 . A A . 18 SER C 1 1 7 2401 1 1 18 SER CA C 11.907 2.302 2.699 1.00 . A A . 18 SER CA 1 1 7 2402 1 1 18 SER CB C 11.930 1.779 4.168 1.00 . A A . 18 SER CB 1 1 7 2403 1 1 18 SER H H 9.668 2.222 2.698 1.00 . A A . 18 SER H 1 1 7 2404 1 1 18 SER HA H 12.499 3.237 2.647 1.00 . A A . 18 SER HA 1 1 7 2405 1 1 18 SER HB2 H 11.334 2.387 4.887 1.00 . A A . 18 SER HB2 1 1 7 2406 1 1 18 SER HB3 H 11.489 0.766 4.227 1.00 . A A . 18 SER HB3 1 1 7 2407 1 1 18 SER HG H 13.598 2.622 4.620 1.00 . A A . 18 SER HG 1 1 7 2408 1 1 18 SER N N 10.512 2.624 2.274 1.00 . A A . 18 SER N 1 1 7 2409 1 1 18 SER O O 13.669 1.681 1.161 1.00 . A A . 18 SER O 1 1 7 2410 1 1 18 SER OG O 13.269 1.721 4.644 1.00 . A A . 18 SER OG 1 1 7 2411 1 1 19 GLU C C 11.402 -1.089 -0.516 1.00 . A A . 19 GLU C 1 1 7 2412 1 1 19 GLU CA C 12.551 -0.867 0.510 1.00 . A A . 19 GLU CA 1 1 7 2413 1 1 19 GLU CB C 12.984 -2.140 1.290 1.00 . A A . 19 GLU CB 1 1 7 2414 1 1 19 GLU CD C 14.064 -4.462 1.182 1.00 . A A . 19 GLU CD 1 1 7 2415 1 1 19 GLU CG C 13.537 -3.263 0.392 1.00 . A A . 19 GLU CG 1 1 7 2416 1 1 19 GLU H H 11.109 0.028 1.867 1.00 . A A . 19 GLU H 1 1 7 2417 1 1 19 GLU HA H 13.449 -0.477 -0.014 1.00 . A A . 19 GLU HA 1 1 7 2418 1 1 19 GLU HB2 H 13.759 -1.861 2.031 1.00 . A A . 19 GLU HB2 1 1 7 2419 1 1 19 GLU HB3 H 12.140 -2.545 1.884 1.00 . A A . 19 GLU HB3 1 1 7 2420 1 1 19 GLU HE2 H 13.409 -6.119 1.966 1.00 . A A . 19 GLU HE2 1 1 7 2421 1 1 19 GLU HG2 H 12.746 -3.601 -0.303 1.00 . A A . 19 GLU HG2 1 1 7 2422 1 1 19 GLU HG3 H 14.346 -2.860 -0.243 1.00 . A A . 19 GLU HG3 1 1 7 2423 1 1 19 GLU N N 12.036 0.137 1.462 1.00 . A A . 19 GLU N 1 1 7 2424 1 1 19 GLU O O 10.511 -1.922 -0.317 1.00 . A A . 19 GLU O 1 1 7 2425 1 1 19 GLU OE1 O 15.241 -4.590 1.514 1.00 . A A . 19 GLU OE1 1 1 7 2426 1 1 19 GLU OE2 O 13.075 -5.368 1.471 1.00 . A A . 19 GLU OE2 1 1 7 2427 1 1 20 LEU C C 10.408 -1.757 -3.452 1.00 . A A . 20 LEU C 1 1 7 2428 1 1 20 LEU CA C 10.470 -0.376 -2.725 1.00 . A A . 20 LEU CA 1 1 7 2429 1 1 20 LEU CB C 10.691 0.811 -3.712 1.00 . A A . 20 LEU CB 1 1 7 2430 1 1 20 LEU CD1 C 11.520 2.851 -2.317 1.00 . A A . 20 LEU CD1 1 1 7 2431 1 1 20 LEU CD2 C 10.177 3.208 -4.409 1.00 . A A . 20 LEU CD2 1 1 7 2432 1 1 20 LEU CG C 10.410 2.261 -3.213 1.00 . A A . 20 LEU CG 1 1 7 2433 1 1 20 LEU H H 12.081 0.481 -1.528 1.00 . A A . 20 LEU H 1 1 7 2434 1 1 20 LEU HA H 9.475 -0.224 -2.274 1.00 . A A . 20 LEU HA 1 1 7 2435 1 1 20 LEU HB2 H 11.687 0.760 -4.199 1.00 . A A . 20 LEU HB2 1 1 7 2436 1 1 20 LEU HB3 H 10.000 0.617 -4.537 1.00 . A A . 20 LEU HB3 1 1 7 2437 1 1 20 LEU HD11 H 11.313 3.905 -2.051 1.00 . A A . 20 LEU HD11 1 1 7 2438 1 1 20 LEU HD12 H 11.615 2.312 -1.359 1.00 . A A . 20 LEU HD12 1 1 7 2439 1 1 20 LEU HD13 H 12.510 2.828 -2.810 1.00 . A A . 20 LEU HD13 1 1 7 2440 1 1 20 LEU HD21 H 9.908 4.229 -4.078 1.00 . A A . 20 LEU HD21 1 1 7 2441 1 1 20 LEU HD22 H 9.347 2.859 -5.051 1.00 . A A . 20 LEU HD22 1 1 7 2442 1 1 20 LEU HD23 H 11.072 3.295 -5.053 1.00 . A A . 20 LEU HD23 1 1 7 2443 1 1 20 LEU HG H 9.473 2.249 -2.629 1.00 . A A . 20 LEU HG 1 1 7 2444 1 1 20 LEU N N 11.462 -0.326 -1.622 1.00 . A A . 20 LEU N 1 1 7 2445 1 1 20 LEU O O 9.338 -2.373 -3.485 1.00 . A A . 20 LEU O 1 1 7 2446 1 1 21 ILE C C 12.203 -4.550 -3.623 1.00 . A A . 21 ILE C 1 1 7 2447 1 1 21 ILE CA C 11.640 -3.553 -4.690 1.00 . A A . 21 ILE CA 1 1 7 2448 1 1 21 ILE CB C 12.410 -3.503 -6.067 1.00 . A A . 21 ILE CB 1 1 7 2449 1 1 21 ILE CD1 C 12.207 -1.065 -7.033 1.00 . A A . 21 ILE CD1 1 1 7 2450 1 1 21 ILE CG1 C 11.798 -2.543 -7.138 1.00 . A A . 21 ILE CG1 1 1 7 2451 1 1 21 ILE CG2 C 12.500 -4.914 -6.709 1.00 . A A . 21 ILE CG2 1 1 7 2452 1 1 21 ILE H H 12.345 -1.608 -3.866 1.00 . A A . 21 ILE H 1 1 7 2453 1 1 21 ILE HA H 10.620 -3.908 -4.939 1.00 . A A . 21 ILE HA 1 1 7 2454 1 1 21 ILE HB H 13.454 -3.187 -5.879 1.00 . A A . 21 ILE HB 1 1 7 2455 1 1 21 ILE HD11 H 11.816 -0.487 -7.890 1.00 . A A . 21 ILE HD11 1 1 7 2456 1 1 21 ILE HD12 H 13.305 -0.943 -7.031 1.00 . A A . 21 ILE HD12 1 1 7 2457 1 1 21 ILE HD13 H 11.814 -0.583 -6.123 1.00 . A A . 21 ILE HD13 1 1 7 2458 1 1 21 ILE HG12 H 12.099 -2.858 -8.156 1.00 . A A . 21 ILE HG12 1 1 7 2459 1 1 21 ILE HG13 H 10.695 -2.623 -7.137 1.00 . A A . 21 ILE HG13 1 1 7 2460 1 1 21 ILE HG21 H 13.077 -4.904 -7.652 1.00 . A A . 21 ILE HG21 1 1 7 2461 1 1 21 ILE HG22 H 13.009 -5.641 -6.051 1.00 . A A . 21 ILE HG22 1 1 7 2462 1 1 21 ILE HG23 H 11.500 -5.330 -6.939 1.00 . A A . 21 ILE HG23 1 1 7 2463 1 1 21 ILE N N 11.542 -2.229 -4.007 1.00 . A A . 21 ILE N 1 1 7 2464 1 1 21 ILE O O 11.454 -5.361 -3.078 1.00 . A A . 21 ILE O 1 1 8 2465 1 1 1 TYR C C -16.446 -3.458 -1.128 1.00 . A A . 1 TYR C 1 1 8 2466 1 1 1 TYR CA C -17.323 -4.739 -1.291 1.00 . A A . 1 TYR CA 1 1 8 2467 1 1 1 TYR CB C -17.722 -5.013 -2.778 1.00 . A A . 1 TYR CB 1 1 8 2468 1 1 1 TYR CD1 C -17.631 -7.532 -3.181 1.00 . A A . 1 TYR CD1 1 1 8 2469 1 1 1 TYR CD2 C -19.791 -6.452 -3.187 1.00 . A A . 1 TYR CD2 1 1 8 2470 1 1 1 TYR CE1 C -18.245 -8.758 -3.427 1.00 . A A . 1 TYR CE1 1 1 8 2471 1 1 1 TYR CE2 C -20.403 -7.679 -3.432 1.00 . A A . 1 TYR CE2 1 1 8 2472 1 1 1 TYR CG C -18.400 -6.369 -3.056 1.00 . A A . 1 TYR CG 1 1 8 2473 1 1 1 TYR CZ C -19.630 -8.832 -3.553 1.00 . A A . 1 TYR CZ 1 1 8 2474 1 1 1 TYR H1 H -18.420 -5.540 0.434 1.00 . A A . 1 TYR H1 1 1 8 2475 1 1 1 TYR HA H -16.665 -5.592 -1.031 1.00 . A A . 1 TYR HA 1 1 8 2476 1 1 1 TYR HB2 H -18.353 -4.187 -3.163 1.00 . A A . 1 TYR HB2 1 1 8 2477 1 1 1 TYR HB3 H -16.801 -4.962 -3.398 1.00 . A A . 1 TYR HB3 1 1 8 2478 1 1 1 TYR HD1 H -16.555 -7.491 -3.083 1.00 . A A . 1 TYR HD1 1 1 8 2479 1 1 1 TYR HD2 H -20.406 -5.567 -3.093 1.00 . A A . 1 TYR HD2 1 1 8 2480 1 1 1 TYR HE1 H -17.642 -9.650 -3.520 1.00 . A A . 1 TYR HE1 1 1 8 2481 1 1 1 TYR HE2 H -21.478 -7.732 -3.528 1.00 . A A . 1 TYR HE2 1 1 8 2482 1 1 1 TYR HH H -19.559 -10.721 -3.849 1.00 . A A . 1 TYR HH 1 1 8 2483 1 1 1 TYR N N -18.438 -4.818 -0.294 1.00 . A A . 1 TYR N 1 1 8 2484 1 1 1 TYR O O -16.583 -2.491 -1.885 1.00 . A A . 1 TYR O 1 1 8 2485 1 1 1 TYR OH O -20.234 -10.040 -3.795 1.00 . A A . 1 TYR OH 1 1 8 2486 1 1 2 ASP C C -13.280 -2.486 -0.644 1.00 . A A . 2 ASP C 1 1 8 2487 1 1 2 ASP CA C -14.615 -2.336 0.147 1.00 . A A . 2 ASP CA 1 1 8 2488 1 1 2 ASP CB C -14.365 -2.207 1.679 1.00 . A A . 2 ASP CB 1 1 8 2489 1 1 2 ASP CG C -13.687 -0.893 2.108 1.00 . A A . 2 ASP CG 1 1 8 2490 1 1 2 ASP H H -15.497 -4.366 0.377 1.00 . A A . 2 ASP H 1 1 8 2491 1 1 2 ASP HA H -15.131 -1.401 -0.158 1.00 . A A . 2 ASP HA 1 1 8 2492 1 1 2 ASP HB2 H -15.323 -2.283 2.229 1.00 . A A . 2 ASP HB2 1 1 8 2493 1 1 2 ASP HB3 H -13.751 -3.050 2.053 1.00 . A A . 2 ASP HB3 1 1 8 2494 1 1 2 ASP HD2 H -15.471 -0.125 1.979 1.00 . A A . 2 ASP HD2 1 1 8 2495 1 1 2 ASP N N -15.532 -3.478 -0.137 1.00 . A A . 2 ASP N 1 1 8 2496 1 1 2 ASP O O -12.700 -3.574 -0.737 1.00 . A A . 2 ASP O 1 1 8 2497 1 1 2 ASP OD1 O -12.481 -0.795 2.335 1.00 . A A . 2 ASP OD1 1 1 8 2498 1 1 2 ASP OD2 O -14.577 0.147 2.197 1.00 . A A . 2 ASP OD2 1 1 8 2499 1 1 3 ASN C C -10.944 0.137 -1.672 1.00 . A A . 3 ASN C 1 1 8 2500 1 1 3 ASN CA C -11.542 -1.274 -1.959 1.00 . A A . 3 ASN CA 1 1 8 2501 1 1 3 ASN CB C -11.766 -1.624 -3.460 1.00 . A A . 3 ASN CB 1 1 8 2502 1 1 3 ASN CG C -10.498 -1.662 -4.336 1.00 . A A . 3 ASN CG 1 1 8 2503 1 1 3 ASN H H -13.233 -0.501 -0.839 1.00 . A A . 3 ASN H 1 1 8 2504 1 1 3 ASN HA H -10.849 -2.018 -1.534 1.00 . A A . 3 ASN HA 1 1 8 2505 1 1 3 ASN HB2 H -12.276 -2.604 -3.544 1.00 . A A . 3 ASN HB2 1 1 8 2506 1 1 3 ASN HB3 H -12.479 -0.904 -3.907 1.00 . A A . 3 ASN HB3 1 1 8 2507 1 1 3 ASN HD21 H -9.925 -3.395 -3.502 1.00 . A A . 3 ASN HD21 1 1 8 2508 1 1 3 ASN HD22 H -8.834 -2.685 -4.795 1.00 . A A . 3 ASN HD22 1 1 8 2509 1 1 3 ASN N N -12.817 -1.357 -1.208 1.00 . A A . 3 ASN N 1 1 8 2510 1 1 3 ASN ND2 N -9.668 -2.685 -4.197 1.00 . A A . 3 ASN ND2 1 1 8 2511 1 1 3 ASN O O -10.942 1.021 -2.534 1.00 . A A . 3 ASN O 1 1 8 2512 1 1 3 ASN OD1 O -10.264 -0.771 -5.151 1.00 . A A . 3 ASN OD1 1 1 8 2513 1 1 4 ILE C C -8.563 1.100 0.871 1.00 . A A . 4 ILE C 1 1 8 2514 1 1 4 ILE CA C -9.833 1.559 0.077 1.00 . A A . 4 ILE CA 1 1 8 2515 1 1 4 ILE CB C -10.875 2.450 0.838 1.00 . A A . 4 ILE CB 1 1 8 2516 1 1 4 ILE CD1 C -11.875 3.917 -1.130 1.00 . A A . 4 ILE CD1 1 1 8 2517 1 1 4 ILE CG1 C -12.120 2.931 0.027 1.00 . A A . 4 ILE CG1 1 1 8 2518 1 1 4 ILE CG2 C -10.218 3.650 1.549 1.00 . A A . 4 ILE CG2 1 1 8 2519 1 1 4 ILE H H -10.651 -0.408 0.239 1.00 . A A . 4 ILE H 1 1 8 2520 1 1 4 ILE HA H -9.502 2.150 -0.760 1.00 . A A . 4 ILE HA 1 1 8 2521 1 1 4 ILE HB H -11.265 1.800 1.626 1.00 . A A . 4 ILE HB 1 1 8 2522 1 1 4 ILE HD11 H -11.164 3.520 -1.875 1.00 . A A . 4 ILE HD11 1 1 8 2523 1 1 4 ILE HD12 H -11.472 4.881 -0.770 1.00 . A A . 4 ILE HD12 1 1 8 2524 1 1 4 ILE HD13 H -12.816 4.141 -1.664 1.00 . A A . 4 ILE HD13 1 1 8 2525 1 1 4 ILE HG12 H -12.660 2.053 -0.370 1.00 . A A . 4 ILE HG12 1 1 8 2526 1 1 4 ILE HG13 H -12.845 3.393 0.724 1.00 . A A . 4 ILE HG13 1 1 8 2527 1 1 4 ILE HG21 H -9.719 4.319 0.826 1.00 . A A . 4 ILE HG21 1 1 8 2528 1 1 4 ILE HG22 H -9.452 3.321 2.273 1.00 . A A . 4 ILE HG22 1 1 8 2529 1 1 4 ILE HG23 H -10.963 4.234 2.117 1.00 . A A . 4 ILE HG23 1 1 8 2530 1 1 4 ILE N N -10.444 0.318 -0.433 1.00 . A A . 4 ILE N 1 1 8 2531 1 1 4 ILE O O -7.452 1.183 0.342 1.00 . A A . 4 ILE O 1 1 8 2532 1 1 5 LEU C C -6.888 -1.157 2.541 1.00 . A A . 5 LEU C 1 1 8 2533 1 1 5 LEU CA C -7.645 0.127 2.999 1.00 . A A . 5 LEU CA 1 1 8 2534 1 1 5 LEU CB C -8.154 -0.082 4.468 1.00 . A A . 5 LEU CB 1 1 8 2535 1 1 5 LEU CD1 C -7.805 2.368 5.266 1.00 . A A . 5 LEU CD1 1 1 8 2536 1 1 5 LEU CD2 C -10.173 1.471 4.983 1.00 . A A . 5 LEU CD2 1 1 8 2537 1 1 5 LEU CG C -8.706 1.117 5.298 1.00 . A A . 5 LEU CG 1 1 8 2538 1 1 5 LEU H H -9.678 0.774 2.492 1.00 . A A . 5 LEU H 1 1 8 2539 1 1 5 LEU HA H -6.887 0.935 2.991 1.00 . A A . 5 LEU HA 1 1 8 2540 1 1 5 LEU HB2 H -8.905 -0.900 4.491 1.00 . A A . 5 LEU HB2 1 1 8 2541 1 1 5 LEU HB3 H -7.322 -0.502 5.069 1.00 . A A . 5 LEU HB3 1 1 8 2542 1 1 5 LEU HD11 H -8.158 3.142 5.973 1.00 . A A . 5 LEU HD11 1 1 8 2543 1 1 5 LEU HD12 H -6.764 2.126 5.550 1.00 . A A . 5 LEU HD12 1 1 8 2544 1 1 5 LEU HD13 H -7.774 2.833 4.263 1.00 . A A . 5 LEU HD13 1 1 8 2545 1 1 5 LEU HD21 H -10.572 2.214 5.699 1.00 . A A . 5 LEU HD21 1 1 8 2546 1 1 5 LEU HD22 H -10.301 1.899 3.974 1.00 . A A . 5 LEU HD22 1 1 8 2547 1 1 5 LEU HD23 H -10.830 0.584 5.048 1.00 . A A . 5 LEU HD23 1 1 8 2548 1 1 5 LEU HG H -8.712 0.773 6.349 1.00 . A A . 5 LEU HG 1 1 8 2549 1 1 5 LEU N N -8.743 0.603 2.116 1.00 . A A . 5 LEU N 1 1 8 2550 1 1 5 LEU O O -5.693 -1.263 2.830 1.00 . A A . 5 LEU O 1 1 8 2551 1 1 6 VAL C C -5.772 -3.023 0.296 1.00 . A A . 6 VAL C 1 1 8 2552 1 1 6 VAL CA C -6.894 -3.365 1.332 1.00 . A A . 6 VAL CA 1 1 8 2553 1 1 6 VAL CB C -7.929 -4.440 0.825 1.00 . A A . 6 VAL CB 1 1 8 2554 1 1 6 VAL CG1 C -7.261 -5.801 0.513 1.00 . A A . 6 VAL CG1 1 1 8 2555 1 1 6 VAL CG2 C -9.097 -4.689 1.800 1.00 . A A . 6 VAL CG2 1 1 8 2556 1 1 6 VAL H H -8.534 -1.906 1.671 1.00 . A A . 6 VAL H 1 1 8 2557 1 1 6 VAL HA H -6.376 -3.820 2.195 1.00 . A A . 6 VAL HA 1 1 8 2558 1 1 6 VAL HB H -8.407 -4.097 -0.109 1.00 . A A . 6 VAL HB 1 1 8 2559 1 1 6 VAL HG11 H -6.776 -6.240 1.406 1.00 . A A . 6 VAL HG11 1 1 8 2560 1 1 6 VAL HG12 H -6.483 -5.708 -0.267 1.00 . A A . 6 VAL HG12 1 1 8 2561 1 1 6 VAL HG13 H -7.990 -6.543 0.136 1.00 . A A . 6 VAL HG13 1 1 8 2562 1 1 6 VAL HG21 H -9.695 -3.769 1.941 1.00 . A A . 6 VAL HG21 1 1 8 2563 1 1 6 VAL HG22 H -8.737 -5.010 2.793 1.00 . A A . 6 VAL HG22 1 1 8 2564 1 1 6 VAL HG23 H -9.793 -5.455 1.413 1.00 . A A . 6 VAL HG23 1 1 8 2565 1 1 6 VAL N N -7.548 -2.118 1.853 1.00 . A A . 6 VAL N 1 1 8 2566 1 1 6 VAL O O -4.644 -3.502 0.451 1.00 . A A . 6 VAL O 1 1 8 2567 1 1 7 LYS C C -4.012 -0.752 -1.196 1.00 . A A . 7 LYS C 1 1 8 2568 1 1 7 LYS CA C -5.082 -1.757 -1.739 1.00 . A A . 7 LYS CA 1 1 8 2569 1 1 7 LYS CB C -5.753 -1.274 -3.054 1.00 . A A . 7 LYS CB 1 1 8 2570 1 1 7 LYS CD C -7.085 0.473 -4.385 1.00 . A A . 7 LYS CD 1 1 8 2571 1 1 7 LYS CE C -7.913 1.768 -4.328 1.00 . A A . 7 LYS CE 1 1 8 2572 1 1 7 LYS CG C -6.639 -0.008 -2.991 1.00 . A A . 7 LYS CG 1 1 8 2573 1 1 7 LYS H H -7.052 -1.866 -0.694 1.00 . A A . 7 LYS H 1 1 8 2574 1 1 7 LYS HA H -4.513 -2.657 -2.023 1.00 . A A . 7 LYS HA 1 1 8 2575 1 1 7 LYS HB2 H -4.951 -1.110 -3.800 1.00 . A A . 7 LYS HB2 1 1 8 2576 1 1 7 LYS HB3 H -6.351 -2.105 -3.476 1.00 . A A . 7 LYS HB3 1 1 8 2577 1 1 7 LYS HD2 H -6.193 0.636 -5.021 1.00 . A A . 7 LYS HD2 1 1 8 2578 1 1 7 LYS HD3 H -7.663 -0.330 -4.879 1.00 . A A . 7 LYS HD3 1 1 8 2579 1 1 7 LYS HE2 H -8.786 1.639 -3.666 1.00 . A A . 7 LYS HE2 1 1 8 2580 1 1 7 LYS HE3 H -7.314 2.590 -3.893 1.00 . A A . 7 LYS HE3 1 1 8 2581 1 1 7 LYS HG2 H -7.525 -0.217 -2.363 1.00 . A A . 7 LYS HG2 1 1 8 2582 1 1 7 LYS HG3 H -6.093 0.811 -2.488 1.00 . A A . 7 LYS HG3 1 1 8 2583 1 1 7 LYS HZ2 H -7.580 2.361 -6.277 1.00 . A A . 7 LYS HZ2 1 1 8 2584 1 1 7 LYS HZ3 H -8.903 3.050 -5.607 1.00 . A A . 7 LYS HZ3 1 1 8 2585 1 1 7 LYS N N -6.082 -2.198 -0.724 1.00 . A A . 7 LYS N 1 1 8 2586 1 1 7 LYS NZ N -8.382 2.168 -5.666 1.00 . A A . 7 LYS NZ 1 1 8 2587 1 1 7 LYS O O -2.836 -0.899 -1.539 1.00 . A A . 7 LYS O 1 1 8 2588 1 1 8 MET C C -2.466 0.649 1.331 1.00 . A A . 8 MET C 1 1 8 2589 1 1 8 MET CA C -3.453 1.207 0.256 1.00 . A A . 8 MET CA 1 1 8 2590 1 1 8 MET CB C -4.185 2.475 0.741 1.00 . A A . 8 MET CB 1 1 8 2591 1 1 8 MET CE C -2.762 4.501 -1.624 1.00 . A A . 8 MET CE 1 1 8 2592 1 1 8 MET CG C -4.949 3.305 -0.316 1.00 . A A . 8 MET CG 1 1 8 2593 1 1 8 MET H H -5.387 0.244 -0.117 1.00 . A A . 8 MET H 1 1 8 2594 1 1 8 MET HA H -2.826 1.578 -0.550 1.00 . A A . 8 MET HA 1 1 8 2595 1 1 8 MET HB2 H -4.867 2.195 1.547 1.00 . A A . 8 MET HB2 1 1 8 2596 1 1 8 MET HB3 H -3.446 3.151 1.212 1.00 . A A . 8 MET HB3 1 1 8 2597 1 1 8 MET HE1 H -3.151 5.487 -1.311 1.00 . A A . 8 MET HE1 1 1 8 2598 1 1 8 MET HE2 H -2.088 4.126 -0.832 1.00 . A A . 8 MET HE2 1 1 8 2599 1 1 8 MET HE3 H -2.164 4.643 -2.542 1.00 . A A . 8 MET HE3 1 1 8 2600 1 1 8 MET HG2 H -5.986 2.937 -0.455 1.00 . A A . 8 MET HG2 1 1 8 2601 1 1 8 MET HG3 H -5.049 4.336 0.049 1.00 . A A . 8 MET HG3 1 1 8 2602 1 1 8 MET N N -4.395 0.230 -0.350 1.00 . A A . 8 MET N 1 1 8 2603 1 1 8 MET O O -1.445 1.302 1.570 1.00 . A A . 8 MET O 1 1 8 2604 1 1 8 MET SD S -4.113 3.340 -1.925 1.00 . A A . 8 MET SD 1 1 8 2605 1 1 9 PHE C C -0.491 -1.615 2.269 1.00 . A A . 9 PHE C 1 1 8 2606 1 1 9 PHE CA C -1.801 -1.131 2.964 1.00 . A A . 9 PHE CA 1 1 8 2607 1 1 9 PHE CB C -2.542 -2.230 3.783 1.00 . A A . 9 PHE CB 1 1 8 2608 1 1 9 PHE CD1 C -1.552 -2.230 6.138 1.00 . A A . 9 PHE CD1 1 1 8 2609 1 1 9 PHE CD2 C -1.063 -4.102 4.691 1.00 . A A . 9 PHE CD2 1 1 8 2610 1 1 9 PHE CE1 C -0.765 -2.800 7.137 1.00 . A A . 9 PHE CE1 1 1 8 2611 1 1 9 PHE CE2 C -0.275 -4.668 5.690 1.00 . A A . 9 PHE CE2 1 1 8 2612 1 1 9 PHE CG C -1.707 -2.877 4.907 1.00 . A A . 9 PHE CG 1 1 8 2613 1 1 9 PHE CZ C -0.129 -4.018 6.913 1.00 . A A . 9 PHE CZ 1 1 8 2614 1 1 9 PHE H H -3.562 -1.019 1.644 1.00 . A A . 9 PHE H 1 1 8 2615 1 1 9 PHE HA H -1.516 -0.343 3.683 1.00 . A A . 9 PHE HA 1 1 8 2616 1 1 9 PHE HB2 H -3.456 -1.796 4.232 1.00 . A A . 9 PHE HB2 1 1 8 2617 1 1 9 PHE HB3 H -2.926 -3.012 3.098 1.00 . A A . 9 PHE HB3 1 1 8 2618 1 1 9 PHE HD1 H -2.033 -1.280 6.323 1.00 . A A . 9 PHE HD1 1 1 8 2619 1 1 9 PHE HD2 H -1.159 -4.613 3.743 1.00 . A A . 9 PHE HD2 1 1 8 2620 1 1 9 PHE HE1 H -0.645 -2.294 8.084 1.00 . A A . 9 PHE HE1 1 1 8 2621 1 1 9 PHE HE2 H 0.226 -5.609 5.516 1.00 . A A . 9 PHE HE2 1 1 8 2622 1 1 9 PHE HZ H 0.486 -4.456 7.685 1.00 . A A . 9 PHE HZ 1 1 8 2623 1 1 9 PHE N N -2.726 -0.519 1.969 1.00 . A A . 9 PHE N 1 1 8 2624 1 1 9 PHE O O 0.585 -1.130 2.621 1.00 . A A . 9 PHE O 1 1 8 2625 1 1 10 LYS C C 1.278 -1.979 -0.405 1.00 . A A . 10 LYS C 1 1 8 2626 1 1 10 LYS CA C 0.582 -3.035 0.509 1.00 . A A . 10 LYS CA 1 1 8 2627 1 1 10 LYS CB C 0.228 -4.307 -0.340 1.00 . A A . 10 LYS CB 1 1 8 2628 1 1 10 LYS CD C -0.689 -6.708 -0.433 1.00 . A A . 10 LYS CD 1 1 8 2629 1 1 10 LYS CE C -1.113 -7.952 0.369 1.00 . A A . 10 LYS CE 1 1 8 2630 1 1 10 LYS CG C -0.207 -5.555 0.469 1.00 . A A . 10 LYS CG 1 1 8 2631 1 1 10 LYS H H -1.560 -2.865 1.174 1.00 . A A . 10 LYS H 1 1 8 2632 1 1 10 LYS HA H 1.348 -3.267 1.281 1.00 . A A . 10 LYS HA 1 1 8 2633 1 1 10 LYS HB2 H -0.566 -4.051 -1.070 1.00 . A A . 10 LYS HB2 1 1 8 2634 1 1 10 LYS HB3 H 1.072 -4.608 -1.002 1.00 . A A . 10 LYS HB3 1 1 8 2635 1 1 10 LYS HD2 H -1.538 -6.356 -1.051 1.00 . A A . 10 LYS HD2 1 1 8 2636 1 1 10 LYS HD3 H 0.115 -6.977 -1.144 1.00 . A A . 10 LYS HD3 1 1 8 2637 1 1 10 LYS HE2 H -0.270 -8.322 0.983 1.00 . A A . 10 LYS HE2 1 1 8 2638 1 1 10 LYS HE3 H -1.924 -7.699 1.076 1.00 . A A . 10 LYS HE3 1 1 8 2639 1 1 10 LYS HG2 H 0.631 -5.915 1.096 1.00 . A A . 10 LYS HG2 1 1 8 2640 1 1 10 LYS HG3 H -1.017 -5.284 1.172 1.00 . A A . 10 LYS HG3 1 1 8 2641 1 1 10 LYS HZ2 H -1.879 -9.840 0.039 1.00 . A A . 10 LYS HZ2 1 1 8 2642 1 1 10 LYS HZ3 H -2.398 -8.732 -1.046 1.00 . A A . 10 LYS HZ3 1 1 8 2643 1 1 10 LYS N N -0.596 -2.530 1.283 1.00 . A A . 10 LYS N 1 1 8 2644 1 1 10 LYS NZ N -1.571 -9.036 -0.518 1.00 . A A . 10 LYS NZ 1 1 8 2645 1 1 10 LYS O O 2.501 -2.048 -0.551 1.00 . A A . 10 LYS O 1 1 8 2646 1 1 11 THR C C 2.087 0.980 -1.030 1.00 . A A . 11 THR C 1 1 8 2647 1 1 11 THR CA C 1.127 0.059 -1.855 1.00 . A A . 11 THR CA 1 1 8 2648 1 1 11 THR CB C -0.011 0.817 -2.608 1.00 . A A . 11 THR CB 1 1 8 2649 1 1 11 THR CG2 C 0.481 1.908 -3.572 1.00 . A A . 11 THR CG2 1 1 8 2650 1 1 11 THR H H -0.461 -1.045 -0.829 1.00 . A A . 11 THR H 1 1 8 2651 1 1 11 THR HA H 1.729 -0.449 -2.619 1.00 . A A . 11 THR HA 1 1 8 2652 1 1 11 THR HB H -0.686 1.294 -1.871 1.00 . A A . 11 THR HB 1 1 8 2653 1 1 11 THR HG1 H -0.176 -0.475 -4.026 1.00 . A A . 11 THR HG1 1 1 8 2654 1 1 11 THR HG21 H -0.366 2.386 -4.098 1.00 . A A . 11 THR HG21 1 1 8 2655 1 1 11 THR HG22 H 1.025 2.708 -3.039 1.00 . A A . 11 THR HG22 1 1 8 2656 1 1 11 THR HG23 H 1.160 1.494 -4.340 1.00 . A A . 11 THR HG23 1 1 8 2657 1 1 11 THR N N 0.543 -1.017 -1.008 1.00 . A A . 11 THR N 1 1 8 2658 1 1 11 THR O O 3.262 1.108 -1.377 1.00 . A A . 11 THR O 1 1 8 2659 1 1 11 THR OG1 O -0.782 -0.094 -3.387 1.00 . A A . 11 THR OG1 1 1 8 2660 1 1 12 ASN C C 3.482 1.700 1.794 1.00 . A A . 12 ASN C 1 1 8 2661 1 1 12 ASN CA C 2.360 2.434 0.984 1.00 . A A . 12 ASN CA 1 1 8 2662 1 1 12 ASN CB C 1.339 3.176 1.901 1.00 . A A . 12 ASN CB 1 1 8 2663 1 1 12 ASN CG C 1.918 4.384 2.665 1.00 . A A . 12 ASN CG 1 1 8 2664 1 1 12 ASN H H 0.578 1.424 0.186 1.00 . A A . 12 ASN H 1 1 8 2665 1 1 12 ASN HA H 2.862 3.177 0.335 1.00 . A A . 12 ASN HA 1 1 8 2666 1 1 12 ASN HB2 H 0.487 3.563 1.305 1.00 . A A . 12 ASN HB2 1 1 8 2667 1 1 12 ASN HB3 H 0.853 2.461 2.600 1.00 . A A . 12 ASN HB3 1 1 8 2668 1 1 12 ASN HD21 H 1.924 3.340 4.378 1.00 . A A . 12 ASN HD21 1 1 8 2669 1 1 12 ASN HD22 H 2.534 5.069 4.447 1.00 . A A . 12 ASN HD22 1 1 8 2670 1 1 12 ASN N N 1.580 1.572 0.066 1.00 . A A . 12 ASN N 1 1 8 2671 1 1 12 ASN ND2 N 2.149 4.251 3.963 1.00 . A A . 12 ASN ND2 1 1 8 2672 1 1 12 ASN O O 4.558 2.281 1.965 1.00 . A A . 12 ASN O 1 1 8 2673 1 1 12 ASN OD1 O 2.161 5.446 2.092 1.00 . A A . 12 ASN OD1 1 1 8 2674 1 1 13 GLU C C 5.483 -0.786 2.240 1.00 . A A . 13 GLU C 1 1 8 2675 1 1 13 GLU CA C 4.247 -0.318 3.066 1.00 . A A . 13 GLU CA 1 1 8 2676 1 1 13 GLU CB C 3.501 -1.469 3.799 1.00 . A A . 13 GLU CB 1 1 8 2677 1 1 13 GLU CD C 3.484 -3.270 5.607 1.00 . A A . 13 GLU CD 1 1 8 2678 1 1 13 GLU CG C 4.326 -2.232 4.857 1.00 . A A . 13 GLU CG 1 1 8 2679 1 1 13 GLU H H 2.338 0.051 2.077 1.00 . A A . 13 GLU H 1 1 8 2680 1 1 13 GLU HA H 4.611 0.363 3.845 1.00 . A A . 13 GLU HA 1 1 8 2681 1 1 13 GLU HB2 H 2.612 -1.050 4.312 1.00 . A A . 13 GLU HB2 1 1 8 2682 1 1 13 GLU HB3 H 3.099 -2.188 3.059 1.00 . A A . 13 GLU HB3 1 1 8 2683 1 1 13 GLU HE2 H 2.450 -3.428 7.249 1.00 . A A . 13 GLU HE2 1 1 8 2684 1 1 13 GLU HG2 H 5.180 -2.744 4.376 1.00 . A A . 13 GLU HG2 1 1 8 2685 1 1 13 GLU HG3 H 4.772 -1.521 5.577 1.00 . A A . 13 GLU HG3 1 1 8 2686 1 1 13 GLU N N 3.251 0.460 2.286 1.00 . A A . 13 GLU N 1 1 8 2687 1 1 13 GLU O O 6.616 -0.498 2.636 1.00 . A A . 13 GLU O 1 1 8 2688 1 1 13 GLU OE1 O 3.288 -4.412 5.193 1.00 . A A . 13 GLU OE1 1 1 8 2689 1 1 13 GLU OE2 O 2.978 -2.776 6.782 1.00 . A A . 13 GLU OE2 1 1 8 2690 1 1 14 ASN C C 7.169 -0.892 -0.504 1.00 . A A . 14 ASN C 1 1 8 2691 1 1 14 ASN CA C 6.335 -1.990 0.219 1.00 . A A . 14 ASN CA 1 1 8 2692 1 1 14 ASN CB C 5.798 -3.055 -0.780 1.00 . A A . 14 ASN CB 1 1 8 2693 1 1 14 ASN CG C 5.422 -4.412 -0.146 1.00 . A A . 14 ASN CG 1 1 8 2694 1 1 14 ASN H H 4.268 -1.619 0.905 1.00 . A A . 14 ASN H 1 1 8 2695 1 1 14 ASN HA H 7.032 -2.512 0.882 1.00 . A A . 14 ASN HA 1 1 8 2696 1 1 14 ASN HB2 H 4.962 -2.640 -1.377 1.00 . A A . 14 ASN HB2 1 1 8 2697 1 1 14 ASN HB3 H 6.581 -3.273 -1.533 1.00 . A A . 14 ASN HB3 1 1 8 2698 1 1 14 ASN HD21 H 3.462 -3.995 -0.280 1.00 . A A . 14 ASN HD21 1 1 8 2699 1 1 14 ASN HD22 H 3.930 -5.613 0.445 1.00 . A A . 14 ASN HD22 1 1 8 2700 1 1 14 ASN N N 5.257 -1.479 1.108 1.00 . A A . 14 ASN N 1 1 8 2701 1 1 14 ASN ND2 N 4.141 -4.704 0.020 1.00 . A A . 14 ASN ND2 1 1 8 2702 1 1 14 ASN O O 8.402 -0.945 -0.462 1.00 . A A . 14 ASN O 1 1 8 2703 1 1 14 ASN OD1 O 6.291 -5.212 0.200 1.00 . A A . 14 ASN OD1 1 1 8 2704 1 1 15 ASN C C 7.834 2.212 -0.858 1.00 . A A . 15 ASN C 1 1 8 2705 1 1 15 ASN CA C 7.177 1.218 -1.840 1.00 . A A . 15 ASN CA 1 1 8 2706 1 1 15 ASN CB C 6.228 1.941 -2.848 1.00 . A A . 15 ASN CB 1 1 8 2707 1 1 15 ASN CG C 5.890 1.128 -4.114 1.00 . A A . 15 ASN CG 1 1 8 2708 1 1 15 ASN H H 5.495 0.028 -1.097 1.00 . A A . 15 ASN H 1 1 8 2709 1 1 15 ASN HA H 8.010 0.797 -2.413 1.00 . A A . 15 ASN HA 1 1 8 2710 1 1 15 ASN HB2 H 5.307 2.295 -2.340 1.00 . A A . 15 ASN HB2 1 1 8 2711 1 1 15 ASN HB3 H 6.695 2.884 -3.197 1.00 . A A . 15 ASN HB3 1 1 8 2712 1 1 15 ASN HD21 H 4.025 0.800 -3.455 1.00 . A A . 15 ASN HD21 1 1 8 2713 1 1 15 ASN HD22 H 4.478 0.084 -5.083 1.00 . A A . 15 ASN HD22 1 1 8 2714 1 1 15 ASN N N 6.508 0.088 -1.151 1.00 . A A . 15 ASN N 1 1 8 2715 1 1 15 ASN ND2 N 4.674 0.618 -4.229 1.00 . A A . 15 ASN ND2 1 1 8 2716 1 1 15 ASN O O 9.045 2.413 -0.933 1.00 . A A . 15 ASN O 1 1 8 2717 1 1 15 ASN OD1 O 6.726 0.957 -5.002 1.00 . A A . 15 ASN OD1 1 1 8 2718 1 1 16 ASP C C 8.302 5.004 0.342 1.00 . A A . 16 ASP C 1 1 8 2719 1 1 16 ASP CA C 7.592 3.803 1.061 1.00 . A A . 16 ASP CA 1 1 8 2720 1 1 16 ASP CB C 8.402 3.082 2.175 1.00 . A A . 16 ASP CB 1 1 8 2721 1 1 16 ASP CG C 8.675 3.931 3.425 1.00 . A A . 16 ASP CG 1 1 8 2722 1 1 16 ASP H H 6.071 2.590 -0.022 1.00 . A A . 16 ASP H 1 1 8 2723 1 1 16 ASP HA H 6.706 4.208 1.559 1.00 . A A . 16 ASP HA 1 1 8 2724 1 1 16 ASP HB2 H 7.859 2.177 2.509 1.00 . A A . 16 ASP HB2 1 1 8 2725 1 1 16 ASP HB3 H 9.350 2.702 1.757 1.00 . A A . 16 ASP HB3 1 1 8 2726 1 1 16 ASP HD2 H 10.400 4.298 2.602 1.00 . A A . 16 ASP HD2 1 1 8 2727 1 1 16 ASP N N 7.067 2.819 0.066 1.00 . A A . 16 ASP N 1 1 8 2728 1 1 16 ASP O O 9.501 5.235 0.515 1.00 . A A . 16 ASP O 1 1 8 2729 1 1 16 ASP OD1 O 7.864 4.062 4.342 1.00 . A A . 16 ASP OD1 1 1 8 2730 1 1 16 ASP OD2 O 9.914 4.519 3.400 1.00 . A A . 16 ASP OD2 1 1 8 2731 1 1 17 LYS C C 8.594 6.460 -2.652 1.00 . A A . 17 LYS C 1 1 8 2732 1 1 17 LYS CA C 7.901 6.887 -1.316 1.00 . A A . 17 LYS CA 1 1 8 2733 1 1 17 LYS CB C 8.586 8.003 -0.494 1.00 . A A . 17 LYS CB 1 1 8 2734 1 1 17 LYS CD C 7.574 10.054 -1.691 1.00 . A A . 17 LYS CD 1 1 8 2735 1 1 17 LYS CE C 7.786 11.466 -2.271 1.00 . A A . 17 LYS CE 1 1 8 2736 1 1 17 LYS CG C 8.860 9.340 -1.216 1.00 . A A . 17 LYS CG 1 1 8 2737 1 1 17 LYS H H 6.577 5.331 -0.591 1.00 . A A . 17 LYS H 1 1 8 2738 1 1 17 LYS HA H 6.934 7.311 -1.628 1.00 . A A . 17 LYS HA 1 1 8 2739 1 1 17 LYS HB2 H 7.981 8.219 0.408 1.00 . A A . 17 LYS HB2 1 1 8 2740 1 1 17 LYS HB3 H 9.517 7.575 -0.107 1.00 . A A . 17 LYS HB3 1 1 8 2741 1 1 17 LYS HD2 H 7.044 9.420 -2.429 1.00 . A A . 17 LYS HD2 1 1 8 2742 1 1 17 LYS HD3 H 6.877 10.124 -0.833 1.00 . A A . 17 LYS HD3 1 1 8 2743 1 1 17 LYS HE2 H 6.804 11.961 -2.393 1.00 . A A . 17 LYS HE2 1 1 8 2744 1 1 17 LYS HE3 H 8.351 12.097 -1.559 1.00 . A A . 17 LYS HE3 1 1 8 2745 1 1 17 LYS HG2 H 9.414 10.002 -0.525 1.00 . A A . 17 LYS HG2 1 1 8 2746 1 1 17 LYS HG3 H 9.540 9.172 -2.072 1.00 . A A . 17 LYS HG3 1 1 8 2747 1 1 17 LYS HZ2 H 9.388 11.010 -3.492 1.00 . A A . 17 LYS HZ2 1 1 8 2748 1 1 17 LYS HZ3 H 7.944 10.894 -4.250 1.00 . A A . 17 LYS HZ3 1 1 8 2749 1 1 17 LYS N N 7.509 5.714 -0.495 1.00 . A A . 17 LYS N 1 1 8 2750 1 1 17 LYS NZ N 8.471 11.462 -3.578 1.00 . A A . 17 LYS NZ 1 1 8 2751 1 1 17 LYS O O 8.133 6.867 -3.723 1.00 . A A . 17 LYS O 1 1 8 2752 1 1 18 SER C C 10.405 3.596 -3.615 1.00 . A A . 18 SER C 1 1 8 2753 1 1 18 SER CA C 10.404 5.147 -3.769 1.00 . A A . 18 SER CA 1 1 8 2754 1 1 18 SER CB C 11.785 5.861 -3.900 1.00 . A A . 18 SER CB 1 1 8 2755 1 1 18 SER H H 9.904 5.370 -1.629 1.00 . A A . 18 SER H 1 1 8 2756 1 1 18 SER HA H 9.815 5.326 -4.694 1.00 . A A . 18 SER HA 1 1 8 2757 1 1 18 SER HB2 H 11.727 6.970 -3.829 1.00 . A A . 18 SER HB2 1 1 8 2758 1 1 18 SER HB3 H 12.456 5.569 -3.070 1.00 . A A . 18 SER HB3 1 1 8 2759 1 1 18 SER HG H 11.805 5.817 -5.821 1.00 . A A . 18 SER HG 1 1 8 2760 1 1 18 SER N N 9.680 5.668 -2.584 1.00 . A A . 18 SER N 1 1 8 2761 1 1 18 SER O O 9.470 2.944 -4.092 1.00 . A A . 18 SER O 1 1 8 2762 1 1 18 SER OG O 12.399 5.509 -5.133 1.00 . A A . 18 SER OG 1 1 8 2763 1 1 19 GLU C C 12.399 1.413 -1.406 1.00 . A A . 19 GLU C 1 1 8 2764 1 1 19 GLU CA C 11.521 1.560 -2.686 1.00 . A A . 19 GLU CA 1 1 8 2765 1 1 19 GLU CB C 12.094 0.856 -3.952 1.00 . A A . 19 GLU CB 1 1 8 2766 1 1 19 GLU CD C 12.683 -1.361 -5.090 1.00 . A A . 19 GLU CD 1 1 8 2767 1 1 19 GLU CG C 12.251 -0.665 -3.798 1.00 . A A . 19 GLU CG 1 1 8 2768 1 1 19 GLU H H 12.180 3.625 -2.674 1.00 . A A . 19 GLU H 1 1 8 2769 1 1 19 GLU HA H 10.514 1.142 -2.489 1.00 . A A . 19 GLU HA 1 1 8 2770 1 1 19 GLU HB2 H 11.426 1.056 -4.813 1.00 . A A . 19 GLU HB2 1 1 8 2771 1 1 19 GLU HB3 H 13.071 1.297 -4.230 1.00 . A A . 19 GLU HB3 1 1 8 2772 1 1 19 GLU HE2 H 14.312 -1.805 -6.059 1.00 . A A . 19 GLU HE2 1 1 8 2773 1 1 19 GLU HG2 H 12.988 -0.871 -2.999 1.00 . A A . 19 GLU HG2 1 1 8 2774 1 1 19 GLU HG3 H 11.294 -1.089 -3.448 1.00 . A A . 19 GLU HG3 1 1 8 2775 1 1 19 GLU N N 11.417 3.010 -2.945 1.00 . A A . 19 GLU N 1 1 8 2776 1 1 19 GLU O O 13.626 1.305 -1.523 1.00 . A A . 19 GLU O 1 1 8 2777 1 1 19 GLU OE1 O 11.890 -1.857 -5.890 1.00 . A A . 19 GLU OE1 1 1 8 2778 1 1 19 GLU OE2 O 14.046 -1.367 -5.247 1.00 . A A . 19 GLU OE2 1 1 8 2779 1 1 20 LEU C C 12.559 -0.279 1.482 1.00 . A A . 20 LEU C 1 1 8 2780 1 1 20 LEU CA C 12.561 1.228 1.081 1.00 . A A . 20 LEU CA 1 1 8 2781 1 1 20 LEU CB C 12.101 2.229 2.201 1.00 . A A . 20 LEU CB 1 1 8 2782 1 1 20 LEU CD1 C 13.556 1.425 4.208 1.00 . A A . 20 LEU CD1 1 1 8 2783 1 1 20 LEU CD2 C 14.336 3.389 2.799 1.00 . A A . 20 LEU CD2 1 1 8 2784 1 1 20 LEU CG C 13.114 2.605 3.322 1.00 . A A . 20 LEU CG 1 1 8 2785 1 1 20 LEU H H 10.770 1.582 -0.203 1.00 . A A . 20 LEU H 1 1 8 2786 1 1 20 LEU HA H 13.626 1.451 0.882 1.00 . A A . 20 LEU HA 1 1 8 2787 1 1 20 LEU HB2 H 11.762 3.198 1.770 1.00 . A A . 20 LEU HB2 1 1 8 2788 1 1 20 LEU HB3 H 11.189 1.830 2.682 1.00 . A A . 20 LEU HB3 1 1 8 2789 1 1 20 LEU HD11 H 14.158 1.766 5.070 1.00 . A A . 20 LEU HD11 1 1 8 2790 1 1 20 LEU HD12 H 14.171 0.691 3.654 1.00 . A A . 20 LEU HD12 1 1 8 2791 1 1 20 LEU HD13 H 12.687 0.882 4.622 1.00 . A A . 20 LEU HD13 1 1 8 2792 1 1 20 LEU HD21 H 14.030 4.268 2.202 1.00 . A A . 20 LEU HD21 1 1 8 2793 1 1 20 LEU HD22 H 14.992 2.770 2.161 1.00 . A A . 20 LEU HD22 1 1 8 2794 1 1 20 LEU HD23 H 14.959 3.771 3.630 1.00 . A A . 20 LEU HD23 1 1 8 2795 1 1 20 LEU HG H 12.573 3.299 3.993 1.00 . A A . 20 LEU HG 1 1 8 2796 1 1 20 LEU N N 11.791 1.411 -0.192 1.00 . A A . 20 LEU N 1 1 8 2797 1 1 20 LEU O O 13.598 -0.933 1.352 1.00 . A A . 20 LEU O 1 1 8 2798 1 1 21 ILE C C 9.843 -2.715 2.091 1.00 . A A . 21 ILE C 1 1 8 2799 1 1 21 ILE CA C 11.302 -2.247 2.371 1.00 . A A . 21 ILE CA 1 1 8 2800 1 1 21 ILE CB C 11.814 -2.493 3.842 1.00 . A A . 21 ILE CB 1 1 8 2801 1 1 21 ILE CD1 C 12.978 -4.801 3.423 1.00 . A A . 21 ILE CD1 1 1 8 2802 1 1 21 ILE CG1 C 11.944 -3.997 4.227 1.00 . A A . 21 ILE CG1 1 1 8 2803 1 1 21 ILE CG2 C 11.003 -1.762 4.943 1.00 . A A . 21 ILE CG2 1 1 8 2804 1 1 21 ILE H H 10.647 -0.148 2.019 1.00 . A A . 21 ILE H 1 1 8 2805 1 1 21 ILE HA H 11.972 -2.829 1.707 1.00 . A A . 21 ILE HA 1 1 8 2806 1 1 21 ILE HB H 12.837 -2.072 3.896 1.00 . A A . 21 ILE HB 1 1 8 2807 1 1 21 ILE HD11 H 13.065 -5.832 3.811 1.00 . A A . 21 ILE HD11 1 1 8 2808 1 1 21 ILE HD12 H 13.983 -4.345 3.477 1.00 . A A . 21 ILE HD12 1 1 8 2809 1 1 21 ILE HD13 H 12.702 -4.882 2.356 1.00 . A A . 21 ILE HD13 1 1 8 2810 1 1 21 ILE HG12 H 12.229 -4.082 5.294 1.00 . A A . 21 ILE HG12 1 1 8 2811 1 1 21 ILE HG13 H 10.960 -4.496 4.154 1.00 . A A . 21 ILE HG13 1 1 8 2812 1 1 21 ILE HG21 H 9.986 -2.179 5.062 1.00 . A A . 21 ILE HG21 1 1 8 2813 1 1 21 ILE HG22 H 10.889 -0.684 4.726 1.00 . A A . 21 ILE HG22 1 1 8 2814 1 1 21 ILE HG23 H 11.499 -1.833 5.929 1.00 . A A . 21 ILE HG23 1 1 8 2815 1 1 21 ILE N N 11.419 -0.818 1.957 1.00 . A A . 21 ILE N 1 1 8 2816 1 1 21 ILE O O 8.876 -2.226 2.675 1.00 . A A . 21 ILE O 1 1 9 2817 1 1 1 TYR C C -14.335 -0.949 0.923 1.00 . A A . 1 TYR C 1 1 9 2818 1 1 1 TYR CA C -15.623 -0.086 0.836 1.00 . A A . 1 TYR CA 1 1 9 2819 1 1 1 TYR CB C -15.513 0.948 -0.325 1.00 . A A . 1 TYR CB 1 1 9 2820 1 1 1 TYR CD1 C -17.787 1.070 -1.474 1.00 . A A . 1 TYR CD1 1 1 9 2821 1 1 1 TYR CD2 C -17.053 2.980 -0.189 1.00 . A A . 1 TYR CD2 1 1 9 2822 1 1 1 TYR CE1 C -18.975 1.732 -1.776 1.00 . A A . 1 TYR CE1 1 1 9 2823 1 1 1 TYR CE2 C -18.242 3.639 -0.491 1.00 . A A . 1 TYR CE2 1 1 9 2824 1 1 1 TYR CG C -16.818 1.688 -0.675 1.00 . A A . 1 TYR CG 1 1 9 2825 1 1 1 TYR CZ C -19.203 3.017 -1.285 1.00 . A A . 1 TYR CZ 1 1 9 2826 1 1 1 TYR H1 H -15.045 0.943 2.706 1.00 . A A . 1 TYR H1 1 1 9 2827 1 1 1 TYR HA H -16.484 -0.748 0.605 1.00 . A A . 1 TYR HA 1 1 9 2828 1 1 1 TYR HB2 H -14.708 1.680 -0.097 1.00 . A A . 1 TYR HB2 1 1 9 2829 1 1 1 TYR HB3 H -15.164 0.423 -1.239 1.00 . A A . 1 TYR HB3 1 1 9 2830 1 1 1 TYR HD1 H -17.627 0.072 -1.857 1.00 . A A . 1 TYR HD1 1 1 9 2831 1 1 1 TYR HD2 H -16.321 3.473 0.434 1.00 . A A . 1 TYR HD2 1 1 9 2832 1 1 1 TYR HE1 H -19.719 1.246 -2.391 1.00 . A A . 1 TYR HE1 1 1 9 2833 1 1 1 TYR HE2 H -18.416 4.634 -0.107 1.00 . A A . 1 TYR HE2 1 1 9 2834 1 1 1 TYR HH H -20.364 4.533 -1.169 1.00 . A A . 1 TYR HH 1 1 9 2835 1 1 1 TYR N N -15.827 0.564 2.161 1.00 . A A . 1 TYR N 1 1 9 2836 1 1 1 TYR O O -13.232 -0.418 1.099 1.00 . A A . 1 TYR O 1 1 9 2837 1 1 1 TYR OH O -20.373 3.667 -1.583 1.00 . A A . 1 TYR OH 1 1 9 2838 1 1 2 ASP C C -13.322 -3.927 -0.595 1.00 . A A . 2 ASP C 1 1 9 2839 1 1 2 ASP CA C -13.366 -3.247 0.801 1.00 . A A . 2 ASP CA 1 1 9 2840 1 1 2 ASP CB C -13.541 -4.225 1.997 1.00 . A A . 2 ASP CB 1 1 9 2841 1 1 2 ASP CG C -12.345 -5.156 2.247 1.00 . A A . 2 ASP CG 1 1 9 2842 1 1 2 ASP H H -15.464 -2.573 0.611 1.00 . A A . 2 ASP H 1 1 9 2843 1 1 2 ASP HA H -12.407 -2.717 0.966 1.00 . A A . 2 ASP HA 1 1 9 2844 1 1 2 ASP HB2 H -13.707 -3.646 2.926 1.00 . A A . 2 ASP HB2 1 1 9 2845 1 1 2 ASP HB3 H -14.456 -4.837 1.877 1.00 . A A . 2 ASP HB3 1 1 9 2846 1 1 2 ASP HD2 H -13.231 -6.354 0.994 1.00 . A A . 2 ASP HD2 1 1 9 2847 1 1 2 ASP N N -14.497 -2.279 0.787 1.00 . A A . 2 ASP N 1 1 9 2848 1 1 2 ASP O O -13.987 -4.943 -0.824 1.00 . A A . 2 ASP O 1 1 9 2849 1 1 2 ASP OD1 O -11.419 -4.881 3.008 1.00 . A A . 2 ASP OD1 1 1 9 2850 1 1 2 ASP OD2 O -12.436 -6.322 1.530 1.00 . A A . 2 ASP OD2 1 1 9 2851 1 1 3 ASN C C -11.099 -3.246 -3.540 1.00 . A A . 3 ASN C 1 1 9 2852 1 1 3 ASN CA C -12.386 -3.854 -2.906 1.00 . A A . 3 ASN CA 1 1 9 2853 1 1 3 ASN CB C -13.664 -3.674 -3.786 1.00 . A A . 3 ASN CB 1 1 9 2854 1 1 3 ASN CG C -14.270 -2.257 -3.934 1.00 . A A . 3 ASN CG 1 1 9 2855 1 1 3 ASN H H -12.005 -2.531 -1.217 1.00 . A A . 3 ASN H 1 1 9 2856 1 1 3 ASN HA H -12.232 -4.942 -2.811 1.00 . A A . 3 ASN HA 1 1 9 2857 1 1 3 ASN HB2 H -13.464 -4.117 -4.780 1.00 . A A . 3 ASN HB2 1 1 9 2858 1 1 3 ASN HB3 H -14.459 -4.317 -3.367 1.00 . A A . 3 ASN HB3 1 1 9 2859 1 1 3 ASN HD21 H -13.678 -2.165 -5.849 1.00 . A A . 3 ASN HD21 1 1 9 2860 1 1 3 ASN HD22 H -14.582 -0.715 -5.179 1.00 . A A . 3 ASN HD22 1 1 9 2861 1 1 3 ASN N N -12.542 -3.339 -1.526 1.00 . A A . 3 ASN N 1 1 9 2862 1 1 3 ASN ND2 N -14.166 -1.650 -5.107 1.00 . A A . 3 ASN ND2 1 1 9 2863 1 1 3 ASN O O -11.144 -2.154 -4.110 1.00 . A A . 3 ASN O 1 1 9 2864 1 1 3 ASN OD1 O -14.849 -1.707 -2.998 1.00 . A A . 3 ASN OD1 1 1 9 2865 1 1 4 ILE C C -7.857 -2.382 -3.469 1.00 . A A . 4 ILE C 1 1 9 2866 1 1 4 ILE CA C -8.610 -3.673 -3.947 1.00 . A A . 4 ILE CA 1 1 9 2867 1 1 4 ILE CB C -8.500 -3.985 -5.486 1.00 . A A . 4 ILE CB 1 1 9 2868 1 1 4 ILE CD1 C -6.898 -5.101 -7.242 1.00 . A A . 4 ILE CD1 1 1 9 2869 1 1 4 ILE CG1 C -7.042 -4.360 -5.903 1.00 . A A . 4 ILE CG1 1 1 9 2870 1 1 4 ILE CG2 C -9.063 -2.883 -6.413 1.00 . A A . 4 ILE CG2 1 1 9 2871 1 1 4 ILE H H -10.132 -4.885 -2.967 1.00 . A A . 4 ILE H 1 1 9 2872 1 1 4 ILE HA H -8.023 -4.484 -3.495 1.00 . A A . 4 ILE HA 1 1 9 2873 1 1 4 ILE HB H -9.113 -4.893 -5.651 1.00 . A A . 4 ILE HB 1 1 9 2874 1 1 4 ILE HD11 H -7.501 -6.028 -7.263 1.00 . A A . 4 ILE HD11 1 1 9 2875 1 1 4 ILE HD12 H -7.210 -4.479 -8.101 1.00 . A A . 4 ILE HD12 1 1 9 2876 1 1 4 ILE HD13 H -5.847 -5.392 -7.422 1.00 . A A . 4 ILE HD13 1 1 9 2877 1 1 4 ILE HG12 H -6.403 -3.457 -5.915 1.00 . A A . 4 ILE HG12 1 1 9 2878 1 1 4 ILE HG13 H -6.593 -5.013 -5.132 1.00 . A A . 4 ILE HG13 1 1 9 2879 1 1 4 ILE HG21 H -8.546 -1.917 -6.263 1.00 . A A . 4 ILE HG21 1 1 9 2880 1 1 4 ILE HG22 H -8.963 -3.150 -7.479 1.00 . A A . 4 ILE HG22 1 1 9 2881 1 1 4 ILE HG23 H -10.139 -2.719 -6.245 1.00 . A A . 4 ILE HG23 1 1 9 2882 1 1 4 ILE N N -9.972 -3.981 -3.406 1.00 . A A . 4 ILE N 1 1 9 2883 1 1 4 ILE O O -6.650 -2.447 -3.223 1.00 . A A . 4 ILE O 1 1 9 2884 1 1 5 LEU C C -7.713 0.272 -1.386 1.00 . A A . 5 LEU C 1 1 9 2885 1 1 5 LEU CA C -7.976 0.054 -2.900 1.00 . A A . 5 LEU CA 1 1 9 2886 1 1 5 LEU CB C -8.836 1.231 -3.468 1.00 . A A . 5 LEU CB 1 1 9 2887 1 1 5 LEU CD1 C -9.968 2.455 -5.396 1.00 . A A . 5 LEU CD1 1 1 9 2888 1 1 5 LEU CD2 C -7.585 1.674 -5.690 1.00 . A A . 5 LEU CD2 1 1 9 2889 1 1 5 LEU CG C -8.939 1.371 -5.016 1.00 . A A . 5 LEU CG 1 1 9 2890 1 1 5 LEU H H -9.548 -1.362 -3.509 1.00 . A A . 5 LEU H 1 1 9 2891 1 1 5 LEU HA H -6.979 0.080 -3.365 1.00 . A A . 5 LEU HA 1 1 9 2892 1 1 5 LEU HB2 H -9.862 1.153 -3.048 1.00 . A A . 5 LEU HB2 1 1 9 2893 1 1 5 LEU HB3 H -8.468 2.197 -3.065 1.00 . A A . 5 LEU HB3 1 1 9 2894 1 1 5 LEU HD11 H -9.675 3.456 -5.028 1.00 . A A . 5 LEU HD11 1 1 9 2895 1 1 5 LEU HD12 H -10.968 2.233 -4.978 1.00 . A A . 5 LEU HD12 1 1 9 2896 1 1 5 LEU HD13 H -10.094 2.533 -6.492 1.00 . A A . 5 LEU HD13 1 1 9 2897 1 1 5 LEU HD21 H -7.689 1.781 -6.786 1.00 . A A . 5 LEU HD21 1 1 9 2898 1 1 5 LEU HD22 H -6.853 0.862 -5.525 1.00 . A A . 5 LEU HD22 1 1 9 2899 1 1 5 LEU HD23 H -7.131 2.608 -5.310 1.00 . A A . 5 LEU HD23 1 1 9 2900 1 1 5 LEU HG H -9.314 0.417 -5.430 1.00 . A A . 5 LEU HG 1 1 9 2901 1 1 5 LEU N N -8.552 -1.244 -3.331 1.00 . A A . 5 LEU N 1 1 9 2902 1 1 5 LEU O O -6.712 0.916 -1.061 1.00 . A A . 5 LEU O 1 1 9 2903 1 1 6 VAL C C -7.024 -0.713 1.519 1.00 . A A . 6 VAL C 1 1 9 2904 1 1 6 VAL CA C -8.365 -0.088 1.010 1.00 . A A . 6 VAL CA 1 1 9 2905 1 1 6 VAL CB C -9.672 -0.532 1.769 1.00 . A A . 6 VAL CB 1 1 9 2906 1 1 6 VAL CG1 C -9.842 -2.035 2.055 1.00 . A A . 6 VAL CG1 1 1 9 2907 1 1 6 VAL CG2 C -9.820 0.238 3.095 1.00 . A A . 6 VAL CG2 1 1 9 2908 1 1 6 VAL H H -9.356 -0.747 -0.874 1.00 . A A . 6 VAL H 1 1 9 2909 1 1 6 VAL HA H -8.229 0.996 1.194 1.00 . A A . 6 VAL HA 1 1 9 2910 1 1 6 VAL HB H -10.553 -0.298 1.142 1.00 . A A . 6 VAL HB 1 1 9 2911 1 1 6 VAL HG11 H -9.787 -2.626 1.124 1.00 . A A . 6 VAL HG11 1 1 9 2912 1 1 6 VAL HG12 H -9.070 -2.413 2.751 1.00 . A A . 6 VAL HG12 1 1 9 2913 1 1 6 VAL HG13 H -10.824 -2.238 2.519 1.00 . A A . 6 VAL HG13 1 1 9 2914 1 1 6 VAL HG21 H -9.818 1.330 2.927 1.00 . A A . 6 VAL HG21 1 1 9 2915 1 1 6 VAL HG22 H -8.991 0.009 3.792 1.00 . A A . 6 VAL HG22 1 1 9 2916 1 1 6 VAL HG23 H -10.766 -0.009 3.610 1.00 . A A . 6 VAL HG23 1 1 9 2917 1 1 6 VAL N N -8.575 -0.221 -0.471 1.00 . A A . 6 VAL N 1 1 9 2918 1 1 6 VAL O O -6.242 -0.054 2.210 1.00 . A A . 6 VAL O 1 1 9 2919 1 1 7 LYS C C -4.278 -2.233 0.701 1.00 . A A . 7 LYS C 1 1 9 2920 1 1 7 LYS CA C -5.549 -2.732 1.461 1.00 . A A . 7 LYS CA 1 1 9 2921 1 1 7 LYS CB C -5.767 -4.268 1.344 1.00 . A A . 7 LYS CB 1 1 9 2922 1 1 7 LYS CD C -6.434 -6.342 -0.052 1.00 . A A . 7 LYS CD 1 1 9 2923 1 1 7 LYS CE C -7.122 -6.893 -1.318 1.00 . A A . 7 LYS CE 1 1 9 2924 1 1 7 LYS CG C -6.346 -4.803 0.013 1.00 . A A . 7 LYS CG 1 1 9 2925 1 1 7 LYS H H -7.600 -2.359 0.636 1.00 . A A . 7 LYS H 1 1 9 2926 1 1 7 LYS HA H -5.340 -2.546 2.527 1.00 . A A . 7 LYS HA 1 1 9 2927 1 1 7 LYS HB2 H -4.811 -4.782 1.560 1.00 . A A . 7 LYS HB2 1 1 9 2928 1 1 7 LYS HB3 H -6.440 -4.586 2.163 1.00 . A A . 7 LYS HB3 1 1 9 2929 1 1 7 LYS HD2 H -5.425 -6.785 0.055 1.00 . A A . 7 LYS HD2 1 1 9 2930 1 1 7 LYS HD3 H -7.001 -6.701 0.827 1.00 . A A . 7 LYS HD3 1 1 9 2931 1 1 7 LYS HE2 H -7.314 -7.973 -1.186 1.00 . A A . 7 LYS HE2 1 1 9 2932 1 1 7 LYS HE3 H -8.116 -6.428 -1.452 1.00 . A A . 7 LYS HE3 1 1 9 2933 1 1 7 LYS HG2 H -7.359 -4.379 -0.113 1.00 . A A . 7 LYS HG2 1 1 9 2934 1 1 7 LYS HG3 H -5.746 -4.429 -0.838 1.00 . A A . 7 LYS HG3 1 1 9 2935 1 1 7 LYS HZ2 H -6.192 -5.708 -2.732 1.00 . A A . 7 LYS HZ2 1 1 9 2936 1 1 7 LYS HZ3 H -6.837 -7.075 -3.356 1.00 . A A . 7 LYS HZ3 1 1 9 2937 1 1 7 LYS N N -6.787 -1.973 1.131 1.00 . A A . 7 LYS N 1 1 9 2938 1 1 7 LYS NZ N -6.325 -6.709 -2.546 1.00 . A A . 7 LYS NZ 1 1 9 2939 1 1 7 LYS O O -3.222 -2.126 1.329 1.00 . A A . 7 LYS O 1 1 9 2940 1 1 8 MET C C -2.774 0.076 -1.078 1.00 . A A . 8 MET C 1 1 9 2941 1 1 8 MET CA C -3.230 -1.385 -1.403 1.00 . A A . 8 MET CA 1 1 9 2942 1 1 8 MET CB C -3.438 -1.599 -2.914 1.00 . A A . 8 MET CB 1 1 9 2943 1 1 8 MET CE C -2.651 -5.663 -3.584 1.00 . A A . 8 MET CE 1 1 9 2944 1 1 8 MET CG C -3.603 -3.049 -3.415 1.00 . A A . 8 MET CG 1 1 9 2945 1 1 8 MET H H -5.304 -1.999 -1.009 1.00 . A A . 8 MET H 1 1 9 2946 1 1 8 MET HA H -2.375 -2.015 -1.179 1.00 . A A . 8 MET HA 1 1 9 2947 1 1 8 MET HB2 H -4.295 -1.002 -3.235 1.00 . A A . 8 MET HB2 1 1 9 2948 1 1 8 MET HB3 H -2.573 -1.169 -3.455 1.00 . A A . 8 MET HB3 1 1 9 2949 1 1 8 MET HE1 H -2.048 -6.491 -3.169 1.00 . A A . 8 MET HE1 1 1 9 2950 1 1 8 MET HE2 H -2.307 -5.473 -4.617 1.00 . A A . 8 MET HE2 1 1 9 2951 1 1 8 MET HE3 H -3.704 -5.993 -3.625 1.00 . A A . 8 MET HE3 1 1 9 2952 1 1 8 MET HG2 H -4.648 -3.412 -3.327 1.00 . A A . 8 MET HG2 1 1 9 2953 1 1 8 MET HG3 H -3.362 -3.064 -4.486 1.00 . A A . 8 MET HG3 1 1 9 2954 1 1 8 MET N N -4.371 -1.912 -0.608 1.00 . A A . 8 MET N 1 1 9 2955 1 1 8 MET O O -1.638 0.416 -1.425 1.00 . A A . 8 MET O 1 1 9 2956 1 1 8 MET SD S -2.477 -4.184 -2.566 1.00 . A A . 8 MET SD 1 1 9 2957 1 1 9 PHE C C -2.103 2.296 1.053 1.00 . A A . 9 PHE C 1 1 9 2958 1 1 9 PHE CA C -3.213 2.314 -0.043 1.00 . A A . 9 PHE CA 1 1 9 2959 1 1 9 PHE CB C -4.481 3.137 0.340 1.00 . A A . 9 PHE CB 1 1 9 2960 1 1 9 PHE CD1 C -4.051 5.571 -0.310 1.00 . A A . 9 PHE CD1 1 1 9 2961 1 1 9 PHE CD2 C -4.095 5.004 2.038 1.00 . A A . 9 PHE CD2 1 1 9 2962 1 1 9 PHE CE1 C -3.765 6.895 0.018 1.00 . A A . 9 PHE CE1 1 1 9 2963 1 1 9 PHE CE2 C -3.806 6.327 2.363 1.00 . A A . 9 PHE CE2 1 1 9 2964 1 1 9 PHE CG C -4.217 4.614 0.698 1.00 . A A . 9 PHE CG 1 1 9 2965 1 1 9 PHE CZ C -3.644 7.271 1.353 1.00 . A A . 9 PHE CZ 1 1 9 2966 1 1 9 PHE H H -4.495 0.526 -0.122 1.00 . A A . 9 PHE H 1 1 9 2967 1 1 9 PHE HA H -2.782 2.799 -0.936 1.00 . A A . 9 PHE HA 1 1 9 2968 1 1 9 PHE HB2 H -5.204 3.103 -0.498 1.00 . A A . 9 PHE HB2 1 1 9 2969 1 1 9 PHE HB3 H -5.014 2.637 1.172 1.00 . A A . 9 PHE HB3 1 1 9 2970 1 1 9 PHE HD1 H -4.131 5.290 -1.351 1.00 . A A . 9 PHE HD1 1 1 9 2971 1 1 9 PHE HD2 H -4.209 4.280 2.833 1.00 . A A . 9 PHE HD2 1 1 9 2972 1 1 9 PHE HE1 H -3.633 7.628 -0.764 1.00 . A A . 9 PHE HE1 1 1 9 2973 1 1 9 PHE HE2 H -3.704 6.620 3.397 1.00 . A A . 9 PHE HE2 1 1 9 2974 1 1 9 PHE HZ H -3.417 8.297 1.606 1.00 . A A . 9 PHE HZ 1 1 9 2975 1 1 9 PHE N N -3.602 0.929 -0.428 1.00 . A A . 9 PHE N 1 1 9 2976 1 1 9 PHE O O -1.013 2.812 0.802 1.00 . A A . 9 PHE O 1 1 9 2977 1 1 10 LYS C C -0.170 0.617 3.057 1.00 . A A . 10 LYS C 1 1 9 2978 1 1 10 LYS CA C -1.371 1.572 3.329 1.00 . A A . 10 LYS CA 1 1 9 2979 1 1 10 LYS CB C -2.020 1.272 4.715 1.00 . A A . 10 LYS CB 1 1 9 2980 1 1 10 LYS CD C -2.251 3.793 5.457 1.00 . A A . 10 LYS CD 1 1 9 2981 1 1 10 LYS CE C -3.196 4.808 6.127 1.00 . A A . 10 LYS CE 1 1 9 2982 1 1 10 LYS CG C -2.916 2.414 5.244 1.00 . A A . 10 LYS CG 1 1 9 2983 1 1 10 LYS H H -3.340 1.339 2.256 1.00 . A A . 10 LYS H 1 1 9 2984 1 1 10 LYS HA H -0.926 2.580 3.407 1.00 . A A . 10 LYS HA 1 1 9 2985 1 1 10 LYS HB2 H -2.610 0.336 4.673 1.00 . A A . 10 LYS HB2 1 1 9 2986 1 1 10 LYS HB3 H -1.264 1.032 5.501 1.00 . A A . 10 LYS HB3 1 1 9 2987 1 1 10 LYS HD2 H -1.335 3.671 6.067 1.00 . A A . 10 LYS HD2 1 1 9 2988 1 1 10 LYS HD3 H -1.920 4.202 4.484 1.00 . A A . 10 LYS HD3 1 1 9 2989 1 1 10 LYS HE2 H -4.113 4.938 5.523 1.00 . A A . 10 LYS HE2 1 1 9 2990 1 1 10 LYS HE3 H -3.523 4.438 7.116 1.00 . A A . 10 LYS HE3 1 1 9 2991 1 1 10 LYS HG2 H -3.809 2.522 4.599 1.00 . A A . 10 LYS HG2 1 1 9 2992 1 1 10 LYS HG3 H -3.284 2.069 6.211 1.00 . A A . 10 LYS HG3 1 1 9 2993 1 1 10 LYS HZ2 H -1.693 6.020 6.857 1.00 . A A . 10 LYS HZ2 1 1 9 2994 1 1 10 LYS HZ3 H -2.237 6.480 5.386 1.00 . A A . 10 LYS HZ3 1 1 9 2995 1 1 10 LYS N N -2.376 1.689 2.225 1.00 . A A . 10 LYS N 1 1 9 2996 1 1 10 LYS NZ N -2.546 6.120 6.296 1.00 . A A . 10 LYS NZ 1 1 9 2997 1 1 10 LYS O O 0.918 0.890 3.573 1.00 . A A . 10 LYS O 1 1 9 2998 1 1 11 THR C C 1.864 -0.698 1.055 1.00 . A A . 11 THR C 1 1 9 2999 1 1 11 THR CA C 0.767 -1.410 1.915 1.00 . A A . 11 THR CA 1 1 9 3000 1 1 11 THR CB C 0.179 -2.705 1.275 1.00 . A A . 11 THR CB 1 1 9 3001 1 1 11 THR CG2 C 1.226 -3.775 0.927 1.00 . A A . 11 THR CG2 1 1 9 3002 1 1 11 THR H H -1.271 -0.616 1.891 1.00 . A A . 11 THR H 1 1 9 3003 1 1 11 THR HA H 1.230 -1.707 2.864 1.00 . A A . 11 THR HA 1 1 9 3004 1 1 11 THR HB H -0.364 -2.443 0.346 1.00 . A A . 11 THR HB 1 1 9 3005 1 1 11 THR HG1 H -1.091 -4.087 1.707 1.00 . A A . 11 THR HG1 1 1 9 3006 1 1 11 THR HG21 H 0.746 -4.679 0.509 1.00 . A A . 11 THR HG21 1 1 9 3007 1 1 11 THR HG22 H 1.945 -3.410 0.172 1.00 . A A . 11 THR HG22 1 1 9 3008 1 1 11 THR HG23 H 1.802 -4.084 1.819 1.00 . A A . 11 THR HG23 1 1 9 3009 1 1 11 THR N N -0.335 -0.473 2.270 1.00 . A A . 11 THR N 1 1 9 3010 1 1 11 THR O O 3.038 -0.705 1.431 1.00 . A A . 11 THR O 1 1 9 3011 1 1 11 THR OG1 O -0.746 -3.320 2.169 1.00 . A A . 11 THR OG1 1 1 9 3012 1 1 12 ASN C C 2.932 2.000 -0.329 1.00 . A A . 12 ASN C 1 1 9 3013 1 1 12 ASN CA C 2.356 0.688 -0.969 1.00 . A A . 12 ASN CA 1 1 9 3014 1 1 12 ASN CB C 1.590 0.946 -2.303 1.00 . A A . 12 ASN CB 1 1 9 3015 1 1 12 ASN CG C 2.484 1.404 -3.474 1.00 . A A . 12 ASN CG 1 1 9 3016 1 1 12 ASN H H 0.472 -0.213 -0.282 1.00 . A A . 12 ASN H 1 1 9 3017 1 1 12 ASN HA H 3.206 0.012 -1.182 1.00 . A A . 12 ASN HA 1 1 9 3018 1 1 12 ASN HB2 H 1.021 0.044 -2.616 1.00 . A A . 12 ASN HB2 1 1 9 3019 1 1 12 ASN HB3 H 0.793 1.702 -2.149 1.00 . A A . 12 ASN HB3 1 1 9 3020 1 1 12 ASN HD21 H 2.642 -0.484 -4.134 1.00 . A A . 12 ASN HD21 1 1 9 3021 1 1 12 ASN HD22 H 3.521 0.815 -5.087 1.00 . A A . 12 ASN HD22 1 1 9 3022 1 1 12 ASN N N 1.459 -0.076 -0.069 1.00 . A A . 12 ASN N 1 1 9 3023 1 1 12 ASN ND2 N 2.928 0.484 -4.318 1.00 . A A . 12 ASN ND2 1 1 9 3024 1 1 12 ASN O O 4.108 2.298 -0.545 1.00 . A A . 12 ASN O 1 1 9 3025 1 1 12 ASN OD1 O 2.783 2.588 -3.625 1.00 . A A . 12 ASN OD1 1 1 9 3026 1 1 13 GLU C C 3.688 3.804 2.235 1.00 . A A . 13 GLU C 1 1 9 3027 1 1 13 GLU CA C 2.594 4.010 1.135 1.00 . A A . 13 GLU CA 1 1 9 3028 1 1 13 GLU CB C 1.331 4.745 1.666 1.00 . A A . 13 GLU CB 1 1 9 3029 1 1 13 GLU CD C 0.233 6.835 2.639 1.00 . A A . 13 GLU CD 1 1 9 3030 1 1 13 GLU CG C 1.548 6.170 2.218 1.00 . A A . 13 GLU CG 1 1 9 3031 1 1 13 GLU H H 1.178 2.441 0.574 1.00 . A A . 13 GLU H 1 1 9 3032 1 1 13 GLU HA H 3.031 4.641 0.350 1.00 . A A . 13 GLU HA 1 1 9 3033 1 1 13 GLU HB2 H 0.591 4.825 0.845 1.00 . A A . 13 GLU HB2 1 1 9 3034 1 1 13 GLU HB3 H 0.841 4.125 2.444 1.00 . A A . 13 GLU HB3 1 1 9 3035 1 1 13 GLU HE2 H 0.429 5.801 4.277 1.00 . A A . 13 GLU HE2 1 1 9 3036 1 1 13 GLU HG2 H 2.240 6.151 3.080 1.00 . A A . 13 GLU HG2 1 1 9 3037 1 1 13 GLU HG3 H 2.042 6.798 1.453 1.00 . A A . 13 GLU HG3 1 1 9 3038 1 1 13 GLU N N 2.136 2.774 0.445 1.00 . A A . 13 GLU N 1 1 9 3039 1 1 13 GLU O O 4.584 4.642 2.355 1.00 . A A . 13 GLU O 1 1 9 3040 1 1 13 GLU OE1 O -0.376 7.638 1.934 1.00 . A A . 13 GLU OE1 1 1 9 3041 1 1 13 GLU OE2 O -0.179 6.432 3.884 1.00 . A A . 13 GLU OE2 1 1 9 3042 1 1 14 ASN C C 5.782 1.550 3.612 1.00 . A A . 14 ASN C 1 1 9 3043 1 1 14 ASN CA C 4.560 2.389 4.103 1.00 . A A . 14 ASN CA 1 1 9 3044 1 1 14 ASN CB C 3.770 1.750 5.285 1.00 . A A . 14 ASN CB 1 1 9 3045 1 1 14 ASN CG C 4.575 1.572 6.590 1.00 . A A . 14 ASN CG 1 1 9 3046 1 1 14 ASN H H 2.748 2.180 2.895 1.00 . A A . 14 ASN H 1 1 9 3047 1 1 14 ASN HA H 4.944 3.341 4.480 1.00 . A A . 14 ASN HA 1 1 9 3048 1 1 14 ASN HB2 H 2.898 2.386 5.536 1.00 . A A . 14 ASN HB2 1 1 9 3049 1 1 14 ASN HB3 H 3.322 0.787 4.969 1.00 . A A . 14 ASN HB3 1 1 9 3050 1 1 14 ASN HD21 H 4.740 -0.400 6.258 1.00 . A A . 14 ASN HD21 1 1 9 3051 1 1 14 ASN HD22 H 5.520 0.263 7.781 1.00 . A A . 14 ASN HD22 1 1 9 3052 1 1 14 ASN N N 3.602 2.716 3.024 1.00 . A A . 14 ASN N 1 1 9 3053 1 1 14 ASN ND2 N 4.987 0.354 6.909 1.00 . A A . 14 ASN ND2 1 1 9 3054 1 1 14 ASN O O 6.917 2.033 3.658 1.00 . A A . 14 ASN O 1 1 9 3055 1 1 14 ASN OD1 O 4.830 2.531 7.318 1.00 . A A . 14 ASN OD1 1 1 9 3056 1 1 15 ASN C C 7.236 -0.310 1.278 1.00 . A A . 15 ASN C 1 1 9 3057 1 1 15 ASN CA C 6.575 -0.628 2.652 1.00 . A A . 15 ASN CA 1 1 9 3058 1 1 15 ASN CB C 6.016 -2.087 2.641 1.00 . A A . 15 ASN CB 1 1 9 3059 1 1 15 ASN CG C 5.635 -2.673 4.019 1.00 . A A . 15 ASN CG 1 1 9 3060 1 1 15 ASN H H 4.550 0.060 3.142 1.00 . A A . 15 ASN H 1 1 9 3061 1 1 15 ASN HA H 7.382 -0.581 3.406 1.00 . A A . 15 ASN HA 1 1 9 3062 1 1 15 ASN HB2 H 5.130 -2.154 1.977 1.00 . A A . 15 ASN HB2 1 1 9 3063 1 1 15 ASN HB3 H 6.739 -2.777 2.157 1.00 . A A . 15 ASN HB3 1 1 9 3064 1 1 15 ASN HD21 H 7.524 -3.278 4.320 1.00 . A A . 15 ASN HD21 1 1 9 3065 1 1 15 ASN HD22 H 6.308 -3.632 5.647 1.00 . A A . 15 ASN HD22 1 1 9 3066 1 1 15 ASN N N 5.535 0.312 3.149 1.00 . A A . 15 ASN N 1 1 9 3067 1 1 15 ASN ND2 N 6.586 -3.254 4.735 1.00 . A A . 15 ASN ND2 1 1 9 3068 1 1 15 ASN O O 8.408 -0.659 1.108 1.00 . A A . 15 ASN O 1 1 9 3069 1 1 15 ASN OD1 O 4.484 -2.601 4.447 1.00 . A A . 15 ASN OD1 1 1 9 3070 1 1 16 ASP C C 7.254 2.231 -1.077 1.00 . A A . 16 ASP C 1 1 9 3071 1 1 16 ASP CA C 7.068 0.682 -1.006 1.00 . A A . 16 ASP CA 1 1 9 3072 1 1 16 ASP CB C 6.195 0.058 -2.130 1.00 . A A . 16 ASP CB 1 1 9 3073 1 1 16 ASP CG C 6.820 0.125 -3.532 1.00 . A A . 16 ASP CG 1 1 9 3074 1 1 16 ASP H H 5.760 0.866 0.695 1.00 . A A . 16 ASP H 1 1 9 3075 1 1 16 ASP HA H 8.063 0.233 -1.098 1.00 . A A . 16 ASP HA 1 1 9 3076 1 1 16 ASP HB2 H 6.003 -1.010 -1.912 1.00 . A A . 16 ASP HB2 1 1 9 3077 1 1 16 ASP HB3 H 5.193 0.526 -2.146 1.00 . A A . 16 ASP HB3 1 1 9 3078 1 1 16 ASP HD2 H 5.608 1.621 -3.819 1.00 . A A . 16 ASP HD2 1 1 9 3079 1 1 16 ASP N N 6.511 0.300 0.315 1.00 . A A . 16 ASP N 1 1 9 3080 1 1 16 ASP O O 6.646 2.926 -1.898 1.00 . A A . 16 ASP O 1 1 9 3081 1 1 16 ASP OD1 O 7.701 -0.642 -3.918 1.00 . A A . 16 ASP OD1 1 1 9 3082 1 1 16 ASP OD2 O 6.283 1.131 -4.294 1.00 . A A . 16 ASP OD2 1 1 9 3083 1 1 17 LYS C C 10.057 4.285 0.075 1.00 . A A . 17 LYS C 1 1 9 3084 1 1 17 LYS CA C 8.519 4.167 -0.121 1.00 . A A . 17 LYS CA 1 1 9 3085 1 1 17 LYS CB C 7.651 4.918 0.940 1.00 . A A . 17 LYS CB 1 1 9 3086 1 1 17 LYS CD C 5.974 6.176 -0.565 1.00 . A A . 17 LYS CD 1 1 9 3087 1 1 17 LYS CE C 5.270 7.503 -0.911 1.00 . A A . 17 LYS CE 1 1 9 3088 1 1 17 LYS CG C 7.099 6.286 0.491 1.00 . A A . 17 LYS CG 1 1 9 3089 1 1 17 LYS H H 8.364 2.106 0.551 1.00 . A A . 17 LYS H 1 1 9 3090 1 1 17 LYS HA H 8.313 4.588 -1.105 1.00 . A A . 17 LYS HA 1 1 9 3091 1 1 17 LYS HB2 H 6.793 4.295 1.252 1.00 . A A . 17 LYS HB2 1 1 9 3092 1 1 17 LYS HB3 H 8.222 5.060 1.876 1.00 . A A . 17 LYS HB3 1 1 9 3093 1 1 17 LYS HD2 H 6.363 5.704 -1.487 1.00 . A A . 17 LYS HD2 1 1 9 3094 1 1 17 LYS HD3 H 5.211 5.468 -0.191 1.00 . A A . 17 LYS HD3 1 1 9 3095 1 1 17 LYS HE2 H 4.369 7.290 -1.514 1.00 . A A . 17 LYS HE2 1 1 9 3096 1 1 17 LYS HE3 H 4.904 7.998 0.008 1.00 . A A . 17 LYS HE3 1 1 9 3097 1 1 17 LYS HG2 H 6.703 6.809 1.382 1.00 . A A . 17 LYS HG2 1 1 9 3098 1 1 17 LYS HG3 H 7.923 6.922 0.117 1.00 . A A . 17 LYS HG3 1 1 9 3099 1 1 17 LYS HZ2 H 6.938 8.708 -1.099 1.00 . A A . 17 LYS HZ2 1 1 9 3100 1 1 17 LYS HZ3 H 5.617 9.309 -1.852 1.00 . A A . 17 LYS HZ3 1 1 9 3101 1 1 17 LYS N N 8.147 2.740 -0.209 1.00 . A A . 17 LYS N 1 1 9 3102 1 1 17 LYS NZ N 6.126 8.438 -1.666 1.00 . A A . 17 LYS NZ 1 1 9 3103 1 1 17 LYS O O 10.749 4.763 -0.829 1.00 . A A . 17 LYS O 1 1 9 3104 1 1 18 SER C C 12.842 2.725 0.793 1.00 . A A . 18 SER C 1 1 9 3105 1 1 18 SER CA C 12.046 3.849 1.533 1.00 . A A . 18 SER CA 1 1 9 3106 1 1 18 SER CB C 12.292 3.825 3.073 1.00 . A A . 18 SER CB 1 1 9 3107 1 1 18 SER H H 9.856 3.500 1.881 1.00 . A A . 18 SER H 1 1 9 3108 1 1 18 SER HA H 12.456 4.794 1.122 1.00 . A A . 18 SER HA 1 1 9 3109 1 1 18 SER HB2 H 11.672 4.544 3.656 1.00 . A A . 18 SER HB2 1 1 9 3110 1 1 18 SER HB3 H 12.037 2.832 3.489 1.00 . A A . 18 SER HB3 1 1 9 3111 1 1 18 SER HG H 13.828 4.981 3.018 1.00 . A A . 18 SER HG 1 1 9 3112 1 1 18 SER N N 10.581 3.839 1.237 1.00 . A A . 18 SER N 1 1 9 3113 1 1 18 SER O O 13.849 3.029 0.147 1.00 . A A . 18 SER O 1 1 9 3114 1 1 18 SER OG O 13.660 4.098 3.355 1.00 . A A . 18 SER OG 1 1 9 3115 1 1 19 GLU C C 11.945 -0.246 -0.747 1.00 . A A . 19 GLU C 1 1 9 3116 1 1 19 GLU CA C 13.028 0.297 0.227 1.00 . A A . 19 GLU CA 1 1 9 3117 1 1 19 GLU CB C 13.510 -0.725 1.295 1.00 . A A . 19 GLU CB 1 1 9 3118 1 1 19 GLU CD C 14.738 -2.924 1.768 1.00 . A A . 19 GLU CD 1 1 9 3119 1 1 19 GLU CG C 14.185 -1.977 0.701 1.00 . A A . 19 GLU CG 1 1 9 3120 1 1 19 GLU H H 11.468 1.362 1.284 1.00 . A A . 19 GLU H 1 1 9 3121 1 1 19 GLU HA H 13.924 0.621 -0.344 1.00 . A A . 19 GLU HA 1 1 9 3122 1 1 19 GLU HB2 H 14.226 -0.223 1.975 1.00 . A A . 19 GLU HB2 1 1 9 3123 1 1 19 GLU HB3 H 12.669 -1.049 1.940 1.00 . A A . 19 GLU HB3 1 1 9 3124 1 1 19 GLU HE2 H 16.363 -3.198 2.805 1.00 . A A . 19 GLU HE2 1 1 9 3125 1 1 19 GLU HG2 H 13.451 -2.528 0.084 1.00 . A A . 19 GLU HG2 1 1 9 3126 1 1 19 GLU HG3 H 14.993 -1.673 0.012 1.00 . A A . 19 GLU HG3 1 1 9 3127 1 1 19 GLU N N 12.407 1.453 0.905 1.00 . A A . 19 GLU N 1 1 9 3128 1 1 19 GLU O O 11.087 -1.056 -0.380 1.00 . A A . 19 GLU O 1 1 9 3129 1 1 19 GLU OE1 O 14.097 -3.865 2.237 1.00 . A A . 19 GLU OE1 1 1 9 3130 1 1 19 GLU OE2 O 16.019 -2.601 2.136 1.00 . A A . 19 GLU OE2 1 1 9 3131 1 1 20 LEU C C 11.145 -1.673 -3.485 1.00 . A A . 20 LEU C 1 1 9 3132 1 1 20 LEU CA C 11.102 -0.160 -3.099 1.00 . A A . 20 LEU CA 1 1 9 3133 1 1 20 LEU CB C 11.343 0.760 -4.338 1.00 . A A . 20 LEU CB 1 1 9 3134 1 1 20 LEU CD1 C 9.763 2.720 -3.730 1.00 . A A . 20 LEU CD1 1 1 9 3135 1 1 20 LEU CD2 C 12.269 3.059 -3.510 1.00 . A A . 20 LEU CD2 1 1 9 3136 1 1 20 LEU CG C 11.149 2.305 -4.257 1.00 . A A . 20 LEU CG 1 1 9 3137 1 1 20 LEU H H 12.600 1.062 -2.095 1.00 . A A . 20 LEU H 1 1 9 3138 1 1 20 LEU HA H 10.077 0.039 -2.744 1.00 . A A . 20 LEU HA 1 1 9 3139 1 1 20 LEU HB2 H 12.336 0.548 -4.784 1.00 . A A . 20 LEU HB2 1 1 9 3140 1 1 20 LEU HB3 H 10.641 0.411 -5.104 1.00 . A A . 20 LEU HB3 1 1 9 3141 1 1 20 LEU HD11 H 9.631 2.434 -2.672 1.00 . A A . 20 LEU HD11 1 1 9 3142 1 1 20 LEU HD12 H 9.607 3.813 -3.795 1.00 . A A . 20 LEU HD12 1 1 9 3143 1 1 20 LEU HD13 H 8.948 2.245 -4.306 1.00 . A A . 20 LEU HD13 1 1 9 3144 1 1 20 LEU HD21 H 12.248 2.884 -2.419 1.00 . A A . 20 LEU HD21 1 1 9 3145 1 1 20 LEU HD22 H 13.271 2.765 -3.874 1.00 . A A . 20 LEU HD22 1 1 9 3146 1 1 20 LEU HD23 H 12.186 4.152 -3.657 1.00 . A A . 20 LEU HD23 1 1 9 3147 1 1 20 LEU HG H 11.199 2.665 -5.302 1.00 . A A . 20 LEU HG 1 1 9 3148 1 1 20 LEU N N 12.027 0.220 -2.004 1.00 . A A . 20 LEU N 1 1 9 3149 1 1 20 LEU O O 10.098 -2.325 -3.501 1.00 . A A . 20 LEU O 1 1 9 3150 1 1 21 ILE C C 13.898 -4.079 -3.487 1.00 . A A . 21 ILE C 1 1 9 3151 1 1 21 ILE CA C 12.546 -3.643 -4.130 1.00 . A A . 21 ILE CA 1 1 9 3152 1 1 21 ILE CB C 12.395 -3.923 -5.671 1.00 . A A . 21 ILE CB 1 1 9 3153 1 1 21 ILE CD1 C 11.827 -5.845 -7.360 1.00 . A A . 21 ILE CD1 1 1 9 3154 1 1 21 ILE CG1 C 12.352 -5.451 -5.970 1.00 . A A . 21 ILE CG1 1 1 9 3155 1 1 21 ILE CG2 C 13.433 -3.199 -6.572 1.00 . A A . 21 ILE CG2 1 1 9 3156 1 1 21 ILE H H 13.118 -1.543 -3.696 1.00 . A A . 21 ILE H 1 1 9 3157 1 1 21 ILE HA H 11.737 -4.222 -3.635 1.00 . A A . 21 ILE HA 1 1 9 3158 1 1 21 ILE HB H 11.403 -3.523 -5.959 1.00 . A A . 21 ILE HB 1 1 9 3159 1 1 21 ILE HD11 H 12.483 -5.480 -8.171 1.00 . A A . 21 ILE HD11 1 1 9 3160 1 1 21 ILE HD12 H 11.767 -6.944 -7.463 1.00 . A A . 21 ILE HD12 1 1 9 3161 1 1 21 ILE HD13 H 10.812 -5.445 -7.542 1.00 . A A . 21 ILE HD13 1 1 9 3162 1 1 21 ILE HG12 H 13.353 -5.897 -5.819 1.00 . A A . 21 ILE HG12 1 1 9 3163 1 1 21 ILE HG13 H 11.703 -5.951 -5.226 1.00 . A A . 21 ILE HG13 1 1 9 3164 1 1 21 ILE HG21 H 13.474 -2.114 -6.362 1.00 . A A . 21 ILE HG21 1 1 9 3165 1 1 21 ILE HG22 H 14.455 -3.598 -6.438 1.00 . A A . 21 ILE HG22 1 1 9 3166 1 1 21 ILE HG23 H 13.186 -3.297 -7.645 1.00 . A A . 21 ILE HG23 1 1 9 3167 1 1 21 ILE N N 12.344 -2.209 -3.788 1.00 . A A . 21 ILE N 1 1 9 3168 1 1 21 ILE O O 14.980 -3.616 -3.852 1.00 . A A . 21 ILE O 1 1 10 3169 1 1 1 TYR C C -16.701 -3.599 1.109 1.00 . A A . 1 TYR C 1 1 10 3170 1 1 1 TYR CA C -18.064 -3.625 1.852 1.00 . A A . 1 TYR CA 1 1 10 3171 1 1 1 TYR CB C -18.259 -2.335 2.704 1.00 . A A . 1 TYR CB 1 1 10 3172 1 1 1 TYR CD1 C -20.694 -1.595 2.515 1.00 . A A . 1 TYR CD1 1 1 10 3173 1 1 1 TYR CD2 C -19.941 -2.525 4.614 1.00 . A A . 1 TYR CD2 1 1 10 3174 1 1 1 TYR CE1 C -21.973 -1.438 3.045 1.00 . A A . 1 TYR CE1 1 1 10 3175 1 1 1 TYR CE2 C -21.221 -2.368 5.141 1.00 . A A . 1 TYR CE2 1 1 10 3176 1 1 1 TYR CG C -19.668 -2.142 3.295 1.00 . A A . 1 TYR CG 1 1 10 3177 1 1 1 TYR CZ C -22.237 -1.824 4.357 1.00 . A A . 1 TYR CZ 1 1 10 3178 1 1 1 TYR H1 H -17.314 -5.081 3.326 1.00 . A A . 1 TYR H1 1 1 10 3179 1 1 1 TYR HA H -18.878 -3.639 1.100 1.00 . A A . 1 TYR HA 1 1 10 3180 1 1 1 TYR HB2 H -17.499 -2.301 3.514 1.00 . A A . 1 TYR HB2 1 1 10 3181 1 1 1 TYR HB3 H -18.031 -1.452 2.070 1.00 . A A . 1 TYR HB3 1 1 10 3182 1 1 1 TYR HD1 H -20.506 -1.295 1.494 1.00 . A A . 1 TYR HD1 1 1 10 3183 1 1 1 TYR HD2 H -19.166 -2.954 5.232 1.00 . A A . 1 TYR HD2 1 1 10 3184 1 1 1 TYR HE1 H -22.758 -1.017 2.434 1.00 . A A . 1 TYR HE1 1 1 10 3185 1 1 1 TYR HE2 H -21.422 -2.671 6.159 1.00 . A A . 1 TYR HE2 1 1 10 3186 1 1 1 TYR HH H -24.067 -1.287 4.208 1.00 . A A . 1 TYR HH 1 1 10 3187 1 1 1 TYR N N -18.091 -4.856 2.694 1.00 . A A . 1 TYR N 1 1 10 3188 1 1 1 TYR O O -15.645 -3.422 1.729 1.00 . A A . 1 TYR O 1 1 10 3189 1 1 1 TYR OH O -23.497 -1.671 4.878 1.00 . A A . 1 TYR OH 1 1 10 3190 1 1 2 ASP C C -15.092 -2.318 -1.462 1.00 . A A . 2 ASP C 1 1 10 3191 1 1 2 ASP CA C -15.535 -3.769 -1.091 1.00 . A A . 2 ASP CA 1 1 10 3192 1 1 2 ASP CB C -15.844 -4.660 -2.347 1.00 . A A . 2 ASP CB 1 1 10 3193 1 1 2 ASP CG C -16.882 -4.138 -3.363 1.00 . A A . 2 ASP CG 1 1 10 3194 1 1 2 ASP H H -17.658 -3.917 -0.650 1.00 . A A . 2 ASP H 1 1 10 3195 1 1 2 ASP HA H -14.698 -4.228 -0.508 1.00 . A A . 2 ASP HA 1 1 10 3196 1 1 2 ASP HB2 H -14.892 -4.792 -2.870 1.00 . A A . 2 ASP HB2 1 1 10 3197 1 1 2 ASP HB3 H -16.153 -5.705 -2.097 1.00 . A A . 2 ASP HB3 1 1 10 3198 1 1 2 ASP HD2 H -15.353 -3.339 -4.265 1.00 . A A . 2 ASP HD2 1 1 10 3199 1 1 2 ASP N N -16.738 -3.766 -0.227 1.00 . A A . 2 ASP N 1 1 10 3200 1 1 2 ASP O O -15.914 -1.482 -1.854 1.00 . A A . 2 ASP O 1 1 10 3201 1 1 2 ASP OD1 O -18.089 -4.360 -3.271 1.00 . A A . 2 ASP OD1 1 1 10 3202 1 1 2 ASP OD2 O -16.305 -3.403 -4.368 1.00 . A A . 2 ASP OD2 1 1 10 3203 1 1 3 ASN C C -11.674 -1.039 -1.867 1.00 . A A . 3 ASN C 1 1 10 3204 1 1 3 ASN CA C -13.182 -0.732 -1.668 1.00 . A A . 3 ASN CA 1 1 10 3205 1 1 3 ASN CB C -13.458 0.354 -0.587 1.00 . A A . 3 ASN CB 1 1 10 3206 1 1 3 ASN CG C -12.950 1.765 -0.944 1.00 . A A . 3 ASN CG 1 1 10 3207 1 1 3 ASN H H -13.153 -2.823 -1.171 1.00 . A A . 3 ASN H 1 1 10 3208 1 1 3 ASN HA H -13.632 -0.399 -2.622 1.00 . A A . 3 ASN HA 1 1 10 3209 1 1 3 ASN HB2 H -14.544 0.409 -0.376 1.00 . A A . 3 ASN HB2 1 1 10 3210 1 1 3 ASN HB3 H -13.011 0.049 0.379 1.00 . A A . 3 ASN HB3 1 1 10 3211 1 1 3 ASN HD21 H -14.600 2.121 -2.028 1.00 . A A . 3 ASN HD21 1 1 10 3212 1 1 3 ASN HD22 H -13.349 3.460 -1.939 1.00 . A A . 3 ASN HD22 1 1 10 3213 1 1 3 ASN N N -13.783 -2.035 -1.323 1.00 . A A . 3 ASN N 1 1 10 3214 1 1 3 ASN ND2 N -13.711 2.526 -1.715 1.00 . A A . 3 ASN ND2 1 1 10 3215 1 1 3 ASN O O -10.942 -1.283 -0.900 1.00 . A A . 3 ASN O 1 1 10 3216 1 1 3 ASN OD1 O -11.869 2.178 -0.529 1.00 . A A . 3 ASN OD1 1 1 10 3217 1 1 4 ILE C C -8.719 -0.276 -2.865 1.00 . A A . 4 ILE C 1 1 10 3218 1 1 4 ILE CA C -9.794 -1.230 -3.516 1.00 . A A . 4 ILE CA 1 1 10 3219 1 1 4 ILE CB C -9.685 -1.337 -5.080 1.00 . A A . 4 ILE CB 1 1 10 3220 1 1 4 ILE CD1 C -8.350 -2.531 -6.992 1.00 . A A . 4 ILE CD1 1 1 10 3221 1 1 4 ILE CG1 C -8.362 -2.020 -5.542 1.00 . A A . 4 ILE CG1 1 1 10 3222 1 1 4 ILE CG2 C -9.907 0.015 -5.802 1.00 . A A . 4 ILE CG2 1 1 10 3223 1 1 4 ILE H H -11.953 -0.874 -3.842 1.00 . A A . 4 ILE H 1 1 10 3224 1 1 4 ILE HA H -9.569 -2.240 -3.151 1.00 . A A . 4 ILE HA 1 1 10 3225 1 1 4 ILE HB H -10.501 -2.010 -5.414 1.00 . A A . 4 ILE HB 1 1 10 3226 1 1 4 ILE HD11 H -9.169 -3.250 -7.179 1.00 . A A . 4 ILE HD11 1 1 10 3227 1 1 4 ILE HD12 H -7.401 -3.051 -7.220 1.00 . A A . 4 ILE HD12 1 1 10 3228 1 1 4 ILE HD13 H -8.452 -1.709 -7.724 1.00 . A A . 4 ILE HD13 1 1 10 3229 1 1 4 ILE HG12 H -7.505 -1.336 -5.393 1.00 . A A . 4 ILE HG12 1 1 10 3230 1 1 4 ILE HG13 H -8.151 -2.888 -4.890 1.00 . A A . 4 ILE HG13 1 1 10 3231 1 1 4 ILE HG21 H -10.855 0.487 -5.488 1.00 . A A . 4 ILE HG21 1 1 10 3232 1 1 4 ILE HG22 H -9.960 -0.110 -6.898 1.00 . A A . 4 ILE HG22 1 1 10 3233 1 1 4 ILE HG23 H -9.093 0.731 -5.584 1.00 . A A . 4 ILE HG23 1 1 10 3234 1 1 4 ILE N N -11.224 -1.003 -3.135 1.00 . A A . 4 ILE N 1 1 10 3235 1 1 4 ILE O O -7.556 -0.670 -2.741 1.00 . A A . 4 ILE O 1 1 10 3236 1 1 5 LEU C C -7.777 1.665 -0.361 1.00 . A A . 5 LEU C 1 1 10 3237 1 1 5 LEU CA C -8.224 1.952 -1.824 1.00 . A A . 5 LEU CA 1 1 10 3238 1 1 5 LEU CB C -8.881 3.364 -2.010 1.00 . A A . 5 LEU CB 1 1 10 3239 1 1 5 LEU CD1 C -7.942 5.097 -0.308 1.00 . A A . 5 LEU CD1 1 1 10 3240 1 1 5 LEU CD2 C -6.662 4.654 -2.467 1.00 . A A . 5 LEU CD2 1 1 10 3241 1 1 5 LEU CG C -8.045 4.661 -1.784 1.00 . A A . 5 LEU CG 1 1 10 3242 1 1 5 LEU H H -10.126 1.068 -2.457 1.00 . A A . 5 LEU H 1 1 10 3243 1 1 5 LEU HA H -7.305 1.909 -2.429 1.00 . A A . 5 LEU HA 1 1 10 3244 1 1 5 LEU HB2 H -9.270 3.443 -3.047 1.00 . A A . 5 LEU HB2 1 1 10 3245 1 1 5 LEU HB3 H -9.805 3.433 -1.401 1.00 . A A . 5 LEU HB3 1 1 10 3246 1 1 5 LEU HD11 H -8.938 5.150 0.171 1.00 . A A . 5 LEU HD11 1 1 10 3247 1 1 5 LEU HD12 H -7.493 6.104 -0.215 1.00 . A A . 5 LEU HD12 1 1 10 3248 1 1 5 LEU HD13 H -7.323 4.417 0.303 1.00 . A A . 5 LEU HD13 1 1 10 3249 1 1 5 LEU HD21 H -5.981 3.904 -2.023 1.00 . A A . 5 LEU HD21 1 1 10 3250 1 1 5 LEU HD22 H -6.745 4.424 -3.545 1.00 . A A . 5 LEU HD22 1 1 10 3251 1 1 5 LEU HD23 H -6.161 5.636 -2.386 1.00 . A A . 5 LEU HD23 1 1 10 3252 1 1 5 LEU HG H -8.618 5.469 -2.276 1.00 . A A . 5 LEU HG 1 1 10 3253 1 1 5 LEU N N -9.115 0.945 -2.450 1.00 . A A . 5 LEU N 1 1 10 3254 1 1 5 LEU O O -6.649 2.031 -0.030 1.00 . A A . 5 LEU O 1 1 10 3255 1 1 6 VAL C C -6.904 -0.169 1.997 1.00 . A A . 6 VAL C 1 1 10 3256 1 1 6 VAL CA C -8.205 0.698 1.922 1.00 . A A . 6 VAL CA 1 1 10 3257 1 1 6 VAL CB C -9.401 0.128 2.776 1.00 . A A . 6 VAL CB 1 1 10 3258 1 1 6 VAL CG1 C -9.058 0.017 4.282 1.00 . A A . 6 VAL CG1 1 1 10 3259 1 1 6 VAL CG2 C -10.703 0.940 2.641 1.00 . A A . 6 VAL CG2 1 1 10 3260 1 1 6 VAL H H -9.479 0.704 0.098 1.00 . A A . 6 VAL H 1 1 10 3261 1 1 6 VAL HA H -7.933 1.666 2.382 1.00 . A A . 6 VAL HA 1 1 10 3262 1 1 6 VAL HB H -9.668 -0.886 2.432 1.00 . A A . 6 VAL HB 1 1 10 3263 1 1 6 VAL HG11 H -8.195 -0.651 4.458 1.00 . A A . 6 VAL HG11 1 1 10 3264 1 1 6 VAL HG12 H -9.898 -0.401 4.868 1.00 . A A . 6 VAL HG12 1 1 10 3265 1 1 6 VAL HG13 H -8.805 0.999 4.724 1.00 . A A . 6 VAL HG13 1 1 10 3266 1 1 6 VAL HG21 H -11.069 0.911 1.600 1.00 . A A . 6 VAL HG21 1 1 10 3267 1 1 6 VAL HG22 H -10.553 1.999 2.915 1.00 . A A . 6 VAL HG22 1 1 10 3268 1 1 6 VAL HG23 H -11.511 0.523 3.266 1.00 . A A . 6 VAL HG23 1 1 10 3269 1 1 6 VAL N N -8.592 1.019 0.504 1.00 . A A . 6 VAL N 1 1 10 3270 1 1 6 VAL O O -5.967 0.210 2.707 1.00 . A A . 6 VAL O 1 1 10 3271 1 1 7 LYS C C -4.470 -1.606 0.340 1.00 . A A . 7 LYS C 1 1 10 3272 1 1 7 LYS CA C -5.642 -2.169 1.209 1.00 . A A . 7 LYS CA 1 1 10 3273 1 1 7 LYS CB C -5.994 -3.645 0.874 1.00 . A A . 7 LYS CB 1 1 10 3274 1 1 7 LYS CD C -6.979 -5.414 -0.788 1.00 . A A . 7 LYS CD 1 1 10 3275 1 1 7 LYS CE C -5.808 -6.362 -1.131 1.00 . A A . 7 LYS CE 1 1 10 3276 1 1 7 LYS CG C -6.622 -3.936 -0.509 1.00 . A A . 7 LYS CG 1 1 10 3277 1 1 7 LYS H H -7.708 -1.461 0.722 1.00 . A A . 7 LYS H 1 1 10 3278 1 1 7 LYS HA H -5.241 -2.205 2.235 1.00 . A A . 7 LYS HA 1 1 10 3279 1 1 7 LYS HB2 H -5.073 -4.245 0.986 1.00 . A A . 7 LYS HB2 1 1 10 3280 1 1 7 LYS HB3 H -6.672 -4.033 1.658 1.00 . A A . 7 LYS HB3 1 1 10 3281 1 1 7 LYS HD2 H -7.590 -5.827 0.037 1.00 . A A . 7 LYS HD2 1 1 10 3282 1 1 7 LYS HD3 H -7.659 -5.419 -1.660 1.00 . A A . 7 LYS HD3 1 1 10 3283 1 1 7 LYS HE2 H -6.206 -7.252 -1.651 1.00 . A A . 7 LYS HE2 1 1 10 3284 1 1 7 LYS HE3 H -5.118 -5.884 -1.851 1.00 . A A . 7 LYS HE3 1 1 10 3285 1 1 7 LYS HG2 H -7.551 -3.346 -0.580 1.00 . A A . 7 LYS HG2 1 1 10 3286 1 1 7 LYS HG3 H -5.971 -3.557 -1.319 1.00 . A A . 7 LYS HG3 1 1 10 3287 1 1 7 LYS HZ2 H -4.606 -6.025 0.514 1.00 . A A . 7 LYS HZ2 1 1 10 3288 1 1 7 LYS HZ3 H -4.279 -7.433 -0.249 1.00 . A A . 7 LYS HZ3 1 1 10 3289 1 1 7 LYS N N -6.849 -1.294 1.259 1.00 . A A . 7 LYS N 1 1 10 3290 1 1 7 LYS NZ N -5.049 -6.823 0.046 1.00 . A A . 7 LYS NZ 1 1 10 3291 1 1 7 LYS O O -3.321 -1.697 0.778 1.00 . A A . 7 LYS O 1 1 10 3292 1 1 8 MET C C -3.001 0.868 -1.276 1.00 . A A . 8 MET C 1 1 10 3293 1 1 8 MET CA C -3.685 -0.459 -1.740 1.00 . A A . 8 MET CA 1 1 10 3294 1 1 8 MET CB C -4.163 -0.370 -3.205 1.00 . A A . 8 MET CB 1 1 10 3295 1 1 8 MET CE C -4.411 -4.397 -4.380 1.00 . A A . 8 MET CE 1 1 10 3296 1 1 8 MET CG C -4.631 -1.672 -3.889 1.00 . A A . 8 MET CG 1 1 10 3297 1 1 8 MET H H -5.722 -0.941 -1.085 1.00 . A A . 8 MET H 1 1 10 3298 1 1 8 MET HA H -2.893 -1.200 -1.792 1.00 . A A . 8 MET HA 1 1 10 3299 1 1 8 MET HB2 H -4.959 0.375 -3.268 1.00 . A A . 8 MET HB2 1 1 10 3300 1 1 8 MET HB3 H -3.337 0.039 -3.818 1.00 . A A . 8 MET HB3 1 1 10 3301 1 1 8 MET HE1 H -5.473 -4.509 -4.096 1.00 . A A . 8 MET HE1 1 1 10 3302 1 1 8 MET HE2 H -3.907 -5.365 -4.210 1.00 . A A . 8 MET HE2 1 1 10 3303 1 1 8 MET HE3 H -4.363 -4.171 -5.461 1.00 . A A . 8 MET HE3 1 1 10 3304 1 1 8 MET HG2 H -5.700 -1.886 -3.690 1.00 . A A . 8 MET HG2 1 1 10 3305 1 1 8 MET HG3 H -4.543 -1.538 -4.975 1.00 . A A . 8 MET HG3 1 1 10 3306 1 1 8 MET N N -4.735 -1.021 -0.848 1.00 . A A . 8 MET N 1 1 10 3307 1 1 8 MET O O -1.896 1.145 -1.752 1.00 . A A . 8 MET O 1 1 10 3308 1 1 8 MET SD S -3.621 -3.095 -3.414 1.00 . A A . 8 MET SD 1 1 10 3309 1 1 9 PHE C C -1.745 2.613 1.031 1.00 . A A . 9 PHE C 1 1 10 3310 1 1 9 PHE CA C -2.992 2.927 0.152 1.00 . A A . 9 PHE CA 1 1 10 3311 1 1 9 PHE CB C -4.080 3.791 0.857 1.00 . A A . 9 PHE CB 1 1 10 3312 1 1 9 PHE CD1 C -3.615 6.270 0.476 1.00 . A A . 9 PHE CD1 1 1 10 3313 1 1 9 PHE CD2 C -3.176 5.347 2.665 1.00 . A A . 9 PHE CD2 1 1 10 3314 1 1 9 PHE CE1 C -3.174 7.517 0.916 1.00 . A A . 9 PHE CE1 1 1 10 3315 1 1 9 PHE CE2 C -2.732 6.593 3.102 1.00 . A A . 9 PHE CE2 1 1 10 3316 1 1 9 PHE CG C -3.616 5.175 1.347 1.00 . A A . 9 PHE CG 1 1 10 3317 1 1 9 PHE CZ C -2.732 7.677 2.227 1.00 . A A . 9 PHE CZ 1 1 10 3318 1 1 9 PHE H H -4.476 1.306 0.032 1.00 . A A . 9 PHE H 1 1 10 3319 1 1 9 PHE HA H -2.640 3.510 -0.717 1.00 . A A . 9 PHE HA 1 1 10 3320 1 1 9 PHE HB2 H -4.928 3.940 0.162 1.00 . A A . 9 PHE HB2 1 1 10 3321 1 1 9 PHE HB3 H -4.523 3.223 1.700 1.00 . A A . 9 PHE HB3 1 1 10 3322 1 1 9 PHE HD1 H -3.949 6.159 -0.546 1.00 . A A . 9 PHE HD1 1 1 10 3323 1 1 9 PHE HD2 H -3.166 4.514 3.354 1.00 . A A . 9 PHE HD2 1 1 10 3324 1 1 9 PHE HE1 H -3.172 8.359 0.239 1.00 . A A . 9 PHE HE1 1 1 10 3325 1 1 9 PHE HE2 H -2.387 6.718 4.118 1.00 . A A . 9 PHE HE2 1 1 10 3326 1 1 9 PHE HZ H -2.388 8.643 2.566 1.00 . A A . 9 PHE HZ 1 1 10 3327 1 1 9 PHE N N -3.607 1.674 -0.371 1.00 . A A . 9 PHE N 1 1 10 3328 1 1 9 PHE O O -0.647 3.049 0.680 1.00 . A A . 9 PHE O 1 1 10 3329 1 1 10 LYS C C 0.222 0.417 2.411 1.00 . A A . 10 LYS C 1 1 10 3330 1 1 10 LYS CA C -0.776 1.451 3.017 1.00 . A A . 10 LYS CA 1 1 10 3331 1 1 10 LYS CB C -1.225 1.030 4.449 1.00 . A A . 10 LYS CB 1 1 10 3332 1 1 10 LYS CD C -0.845 3.384 5.576 1.00 . A A . 10 LYS CD 1 1 10 3333 1 1 10 LYS CE C -1.467 4.426 6.523 1.00 . A A . 10 LYS CE 1 1 10 3334 1 1 10 LYS CG C -1.795 2.198 5.285 1.00 . A A . 10 LYS CG 1 1 10 3335 1 1 10 LYS H H -2.903 1.603 2.272 1.00 . A A . 10 LYS H 1 1 10 3336 1 1 10 LYS HA H -0.184 2.375 3.144 1.00 . A A . 10 LYS HA 1 1 10 3337 1 1 10 LYS HB2 H -1.966 0.209 4.403 1.00 . A A . 10 LYS HB2 1 1 10 3338 1 1 10 LYS HB3 H -0.401 0.561 5.039 1.00 . A A . 10 LYS HB3 1 1 10 3339 1 1 10 LYS HD2 H 0.101 3.001 6.005 1.00 . A A . 10 LYS HD2 1 1 10 3340 1 1 10 LYS HD3 H -0.571 3.886 4.630 1.00 . A A . 10 LYS HD3 1 1 10 3341 1 1 10 LYS HE2 H -2.416 4.811 6.103 1.00 . A A . 10 LYS HE2 1 1 10 3342 1 1 10 LYS HE3 H -1.721 3.964 7.495 1.00 . A A . 10 LYS HE3 1 1 10 3343 1 1 10 LYS HG2 H -2.732 2.567 4.826 1.00 . A A . 10 LYS HG2 1 1 10 3344 1 1 10 LYS HG3 H -2.089 1.759 6.240 1.00 . A A . 10 LYS HG3 1 1 10 3345 1 1 10 LYS HZ2 H 0.310 5.228 7.201 1.00 . A A . 10 LYS HZ2 1 1 10 3346 1 1 10 LYS HZ3 H -0.971 6.223 7.410 1.00 . A A . 10 LYS HZ3 1 1 10 3347 1 1 10 LYS N N -1.916 1.850 2.130 1.00 . A A . 10 LYS N 1 1 10 3348 1 1 10 LYS NZ N -0.551 5.558 6.751 1.00 . A A . 10 LYS NZ 1 1 10 3349 1 1 10 LYS O O 1.398 0.461 2.782 1.00 . A A . 10 LYS O 1 1 10 3350 1 1 11 THR C C 1.755 -0.752 -0.067 1.00 . A A . 11 THR C 1 1 10 3351 1 1 11 THR CA C 0.701 -1.473 0.837 1.00 . A A . 11 THR CA 1 1 10 3352 1 1 11 THR CB C -0.139 -2.572 0.117 1.00 . A A . 11 THR CB 1 1 10 3353 1 1 11 THR CG2 C 0.691 -3.659 -0.585 1.00 . A A . 11 THR CG2 1 1 10 3354 1 1 11 THR H H -1.187 -0.450 1.240 1.00 . A A . 11 THR H 1 1 10 3355 1 1 11 THR HA H 1.247 -1.974 1.645 1.00 . A A . 11 THR HA 1 1 10 3356 1 1 11 THR HB H -0.790 -2.099 -0.643 1.00 . A A . 11 THR HB 1 1 10 3357 1 1 11 THR HG1 H -1.516 -2.567 1.463 1.00 . A A . 11 THR HG1 1 1 10 3358 1 1 11 THR HG21 H 0.038 -4.424 -1.042 1.00 . A A . 11 THR HG21 1 1 10 3359 1 1 11 THR HG22 H 1.312 -3.237 -1.396 1.00 . A A . 11 THR HG22 1 1 10 3360 1 1 11 THR HG23 H 1.366 -4.174 0.123 1.00 . A A . 11 THR HG23 1 1 10 3361 1 1 11 THR N N -0.200 -0.490 1.498 1.00 . A A . 11 THR N 1 1 10 3362 1 1 11 THR O O 2.958 -0.938 0.134 1.00 . A A . 11 THR O 1 1 10 3363 1 1 11 THR OG1 O -0.969 -3.245 1.060 1.00 . A A . 11 THR OG1 1 1 10 3364 1 1 12 ASN C C 2.985 2.000 -1.215 1.00 . A A . 12 ASN C 1 1 10 3365 1 1 12 ASN CA C 2.159 0.871 -1.926 1.00 . A A . 12 ASN CA 1 1 10 3366 1 1 12 ASN CB C 1.269 1.418 -3.084 1.00 . A A . 12 ASN CB 1 1 10 3367 1 1 12 ASN CG C 2.063 1.918 -4.309 1.00 . A A . 12 ASN CG 1 1 10 3368 1 1 12 ASN H H 0.277 0.078 -1.108 1.00 . A A . 12 ASN H 1 1 10 3369 1 1 12 ASN HA H 2.882 0.148 -2.351 1.00 . A A . 12 ASN HA 1 1 10 3370 1 1 12 ASN HB2 H 0.579 0.631 -3.453 1.00 . A A . 12 ASN HB2 1 1 10 3371 1 1 12 ASN HB3 H 0.576 2.203 -2.709 1.00 . A A . 12 ASN HB3 1 1 10 3372 1 1 12 ASN HD21 H 1.799 3.825 -3.744 1.00 . A A . 12 ASN HD21 1 1 10 3373 1 1 12 ASN HD22 H 2.753 3.531 -5.283 1.00 . A A . 12 ASN HD22 1 1 10 3374 1 1 12 ASN N N 1.292 0.077 -1.021 1.00 . A A . 12 ASN N 1 1 10 3375 1 1 12 ASN ND2 N 2.220 3.225 -4.461 1.00 . A A . 12 ASN ND2 1 1 10 3376 1 1 12 ASN O O 4.138 2.210 -1.594 1.00 . A A . 12 ASN O 1 1 10 3377 1 1 12 ASN OD1 O 2.542 1.131 -5.124 1.00 . A A . 12 ASN OD1 1 1 10 3378 1 1 13 GLU C C 4.349 3.252 1.360 1.00 . A A . 13 GLU C 1 1 10 3379 1 1 13 GLU CA C 3.121 3.775 0.558 1.00 . A A . 13 GLU CA 1 1 10 3380 1 1 13 GLU CB C 2.061 4.528 1.422 1.00 . A A . 13 GLU CB 1 1 10 3381 1 1 13 GLU CD C 3.177 5.403 3.602 1.00 . A A . 13 GLU CD 1 1 10 3382 1 1 13 GLU CG C 2.533 5.747 2.251 1.00 . A A . 13 GLU CG 1 1 10 3383 1 1 13 GLU H H 1.475 2.435 0.054 1.00 . A A . 13 GLU H 1 1 10 3384 1 1 13 GLU HA H 3.490 4.495 -0.183 1.00 . A A . 13 GLU HA 1 1 10 3385 1 1 13 GLU HB2 H 1.274 4.901 0.738 1.00 . A A . 13 GLU HB2 1 1 10 3386 1 1 13 GLU HB3 H 1.538 3.815 2.090 1.00 . A A . 13 GLU HB3 1 1 10 3387 1 1 13 GLU HE2 H 1.368 4.945 4.160 1.00 . A A . 13 GLU HE2 1 1 10 3388 1 1 13 GLU HG2 H 3.224 6.369 1.652 1.00 . A A . 13 GLU HG2 1 1 10 3389 1 1 13 GLU HG3 H 1.663 6.401 2.450 1.00 . A A . 13 GLU HG3 1 1 10 3390 1 1 13 GLU N N 2.420 2.715 -0.213 1.00 . A A . 13 GLU N 1 1 10 3391 1 1 13 GLU O O 5.462 3.744 1.160 1.00 . A A . 13 GLU O 1 1 10 3392 1 1 13 GLU OE1 O 4.382 5.512 3.825 1.00 . A A . 13 GLU OE1 1 1 10 3393 1 1 13 GLU OE2 O 2.258 4.963 4.521 1.00 . A A . 13 GLU OE2 1 1 10 3394 1 1 14 ASN C C 6.294 0.875 2.300 1.00 . A A . 14 ASN C 1 1 10 3395 1 1 14 ASN CA C 5.192 1.650 3.085 1.00 . A A . 14 ASN CA 1 1 10 3396 1 1 14 ASN CB C 4.570 0.791 4.223 1.00 . A A . 14 ASN CB 1 1 10 3397 1 1 14 ASN CG C 3.738 1.571 5.269 1.00 . A A . 14 ASN CG 1 1 10 3398 1 1 14 ASN H H 3.150 1.980 2.302 1.00 . A A . 14 ASN H 1 1 10 3399 1 1 14 ASN HA H 5.699 2.494 3.572 1.00 . A A . 14 ASN HA 1 1 10 3400 1 1 14 ASN HB2 H 3.939 -0.008 3.789 1.00 . A A . 14 ASN HB2 1 1 10 3401 1 1 14 ASN HB3 H 5.373 0.240 4.753 1.00 . A A . 14 ASN HB3 1 1 10 3402 1 1 14 ASN HD21 H 5.398 2.009 6.308 1.00 . A A . 14 ASN HD21 1 1 10 3403 1 1 14 ASN HD22 H 3.807 2.647 6.961 1.00 . A A . 14 ASN HD22 1 1 10 3404 1 1 14 ASN N N 4.130 2.260 2.241 1.00 . A A . 14 ASN N 1 1 10 3405 1 1 14 ASN ND2 N 4.380 2.134 6.282 1.00 . A A . 14 ASN ND2 1 1 10 3406 1 1 14 ASN O O 7.481 1.072 2.575 1.00 . A A . 14 ASN O 1 1 10 3407 1 1 14 ASN OD1 O 2.517 1.679 5.169 1.00 . A A . 14 ASN OD1 1 1 10 3408 1 1 15 ASN C C 7.727 0.124 -0.483 1.00 . A A . 15 ASN C 1 1 10 3409 1 1 15 ASN CA C 6.845 -0.747 0.474 1.00 . A A . 15 ASN CA 1 1 10 3410 1 1 15 ASN CB C 6.040 -1.836 -0.302 1.00 . A A . 15 ASN CB 1 1 10 3411 1 1 15 ASN CG C 6.897 -2.924 -0.982 1.00 . A A . 15 ASN CG 1 1 10 3412 1 1 15 ASN H H 4.894 -0.056 1.224 1.00 . A A . 15 ASN H 1 1 10 3413 1 1 15 ASN HA H 7.528 -1.255 1.178 1.00 . A A . 15 ASN HA 1 1 10 3414 1 1 15 ASN HB2 H 5.304 -2.334 0.362 1.00 . A A . 15 ASN HB2 1 1 10 3415 1 1 15 ASN HB3 H 5.405 -1.361 -1.078 1.00 . A A . 15 ASN HB3 1 1 10 3416 1 1 15 ASN HD21 H 6.918 -4.009 0.706 1.00 . A A . 15 ASN HD21 1 1 10 3417 1 1 15 ASN HD22 H 7.814 -4.692 -0.742 1.00 . A A . 15 ASN HD22 1 1 10 3418 1 1 15 ASN N N 5.904 0.021 1.332 1.00 . A A . 15 ASN N 1 1 10 3419 1 1 15 ASN ND2 N 7.247 -3.983 -0.266 1.00 . A A . 15 ASN ND2 1 1 10 3420 1 1 15 ASN O O 8.896 -0.215 -0.682 1.00 . A A . 15 ASN O 1 1 10 3421 1 1 15 ASN OD1 O 7.252 -2.817 -2.155 1.00 . A A . 15 ASN OD1 1 1 10 3422 1 1 16 ASP C C 8.434 3.406 -1.203 1.00 . A A . 16 ASP C 1 1 10 3423 1 1 16 ASP CA C 7.917 2.134 -1.962 1.00 . A A . 16 ASP CA 1 1 10 3424 1 1 16 ASP CB C 7.066 2.480 -3.221 1.00 . A A . 16 ASP CB 1 1 10 3425 1 1 16 ASP CG C 6.697 1.306 -4.145 1.00 . A A . 16 ASP CG 1 1 10 3426 1 1 16 ASP H H 6.320 1.519 -0.630 1.00 . A A . 16 ASP H 1 1 10 3427 1 1 16 ASP HA H 8.804 1.606 -2.314 1.00 . A A . 16 ASP HA 1 1 10 3428 1 1 16 ASP HB2 H 6.149 3.025 -2.928 1.00 . A A . 16 ASP HB2 1 1 10 3429 1 1 16 ASP HB3 H 7.623 3.207 -3.842 1.00 . A A . 16 ASP HB3 1 1 10 3430 1 1 16 ASP HD2 H 5.249 0.035 -4.418 1.00 . A A . 16 ASP HD2 1 1 10 3431 1 1 16 ASP N N 7.174 1.205 -1.074 1.00 . A A . 16 ASP N 1 1 10 3432 1 1 16 ASP O O 8.334 4.533 -1.699 1.00 . A A . 16 ASP O 1 1 10 3433 1 1 16 ASP OD1 O 7.423 0.907 -5.054 1.00 . A A . 16 ASP OD1 1 1 10 3434 1 1 16 ASP OD2 O 5.474 0.765 -3.838 1.00 . A A . 16 ASP OD2 1 1 10 3435 1 1 17 LYS C C 10.749 3.674 1.700 1.00 . A A . 17 LYS C 1 1 10 3436 1 1 17 LYS CA C 9.587 4.269 0.850 1.00 . A A . 17 LYS CA 1 1 10 3437 1 1 17 LYS CB C 8.429 4.953 1.642 1.00 . A A . 17 LYS CB 1 1 10 3438 1 1 17 LYS CD C 9.299 5.675 3.963 1.00 . A A . 17 LYS CD 1 1 10 3439 1 1 17 LYS CE C 9.428 6.833 4.968 1.00 . A A . 17 LYS CE 1 1 10 3440 1 1 17 LYS CG C 8.790 6.126 2.580 1.00 . A A . 17 LYS CG 1 1 10 3441 1 1 17 LYS H H 8.874 2.298 0.413 1.00 . A A . 17 LYS H 1 1 10 3442 1 1 17 LYS HA H 10.036 5.010 0.184 1.00 . A A . 17 LYS HA 1 1 10 3443 1 1 17 LYS HB2 H 7.704 5.350 0.906 1.00 . A A . 17 LYS HB2 1 1 10 3444 1 1 17 LYS HB3 H 7.860 4.193 2.212 1.00 . A A . 17 LYS HB3 1 1 10 3445 1 1 17 LYS HD2 H 8.618 4.892 4.354 1.00 . A A . 17 LYS HD2 1 1 10 3446 1 1 17 LYS HD3 H 10.278 5.179 3.842 1.00 . A A . 17 LYS HD3 1 1 10 3447 1 1 17 LYS HE2 H 10.122 7.603 4.582 1.00 . A A . 17 LYS HE2 1 1 10 3448 1 1 17 LYS HE3 H 8.452 7.334 5.108 1.00 . A A . 17 LYS HE3 1 1 10 3449 1 1 17 LYS HG2 H 9.520 6.800 2.094 1.00 . A A . 17 LYS HG2 1 1 10 3450 1 1 17 LYS HG3 H 7.878 6.736 2.723 1.00 . A A . 17 LYS HG3 1 1 10 3451 1 1 17 LYS HZ2 H 9.965 7.140 6.937 1.00 . A A . 17 LYS HZ2 1 1 10 3452 1 1 17 LYS HZ3 H 9.245 5.695 6.680 1.00 . A A . 17 LYS HZ3 1 1 10 3453 1 1 17 LYS N N 9.037 3.207 -0.012 1.00 . A A . 17 LYS N 1 1 10 3454 1 1 17 LYS NZ N 9.915 6.358 6.275 1.00 . A A . 17 LYS NZ 1 1 10 3455 1 1 17 LYS O O 11.886 4.136 1.571 1.00 . A A . 17 LYS O 1 1 10 3456 1 1 18 SER C C 12.409 0.993 2.710 1.00 . A A . 18 SER C 1 1 10 3457 1 1 18 SER CA C 11.488 2.023 3.431 1.00 . A A . 18 SER CA 1 1 10 3458 1 1 18 SER CB C 10.801 1.420 4.696 1.00 . A A . 18 SER CB 1 1 10 3459 1 1 18 SER H H 9.486 2.372 2.498 1.00 . A A . 18 SER H 1 1 10 3460 1 1 18 SER HA H 12.182 2.819 3.764 1.00 . A A . 18 SER HA 1 1 10 3461 1 1 18 SER HB2 H 10.050 2.085 5.181 1.00 . A A . 18 SER HB2 1 1 10 3462 1 1 18 SER HB3 H 10.234 0.507 4.431 1.00 . A A . 18 SER HB3 1 1 10 3463 1 1 18 SER HG H 12.368 0.451 5.248 1.00 . A A . 18 SER HG 1 1 10 3464 1 1 18 SER N N 10.465 2.671 2.560 1.00 . A A . 18 SER N 1 1 10 3465 1 1 18 SER O O 13.632 1.154 2.750 1.00 . A A . 18 SER O 1 1 10 3466 1 1 18 SER OG O 11.780 1.081 5.671 1.00 . A A . 18 SER OG 1 1 10 3467 1 1 19 GLU C C 11.951 -1.270 -0.044 1.00 . A A . 19 GLU C 1 1 10 3468 1 1 19 GLU CA C 12.590 -1.097 1.363 1.00 . A A . 19 GLU CA 1 1 10 3469 1 1 19 GLU CB C 12.581 -2.372 2.255 1.00 . A A . 19 GLU CB 1 1 10 3470 1 1 19 GLU CD C 13.445 -4.753 2.622 1.00 . A A . 19 GLU CD 1 1 10 3471 1 1 19 GLU CG C 13.367 -3.557 1.671 1.00 . A A . 19 GLU CG 1 1 10 3472 1 1 19 GLU H H 10.818 -0.031 2.054 1.00 . A A . 19 GLU H 1 1 10 3473 1 1 19 GLU HA H 13.649 -0.789 1.237 1.00 . A A . 19 GLU HA 1 1 10 3474 1 1 19 GLU HB2 H 13.009 -2.122 3.247 1.00 . A A . 19 GLU HB2 1 1 10 3475 1 1 19 GLU HB3 H 11.541 -2.696 2.459 1.00 . A A . 19 GLU HB3 1 1 10 3476 1 1 19 GLU HE2 H 14.569 -5.428 4.062 1.00 . A A . 19 GLU HE2 1 1 10 3477 1 1 19 GLU HG2 H 12.885 -3.880 0.730 1.00 . A A . 19 GLU HG2 1 1 10 3478 1 1 19 GLU HG3 H 14.383 -3.224 1.396 1.00 . A A . 19 GLU HG3 1 1 10 3479 1 1 19 GLU N N 11.834 -0.049 2.082 1.00 . A A . 19 GLU N 1 1 10 3480 1 1 19 GLU O O 11.077 -2.119 -0.255 1.00 . A A . 19 GLU O 1 1 10 3481 1 1 19 GLU OE1 O 12.628 -5.674 2.622 1.00 . A A . 19 GLU OE1 1 1 10 3482 1 1 19 GLU OE2 O 14.524 -4.677 3.466 1.00 . A A . 19 GLU OE2 1 1 10 3483 1 1 20 LEU C C 12.915 -1.431 -3.223 1.00 . A A . 20 LEU C 1 1 10 3484 1 1 20 LEU CA C 11.970 -0.483 -2.421 1.00 . A A . 20 LEU CA 1 1 10 3485 1 1 20 LEU CB C 11.817 0.976 -2.988 1.00 . A A . 20 LEU CB 1 1 10 3486 1 1 20 LEU CD1 C 10.657 2.645 -4.523 1.00 . A A . 20 LEU CD1 1 1 10 3487 1 1 20 LEU CD2 C 11.440 0.483 -5.529 1.00 . A A . 20 LEU CD2 1 1 10 3488 1 1 20 LEU CG C 10.909 1.149 -4.242 1.00 . A A . 20 LEU CG 1 1 10 3489 1 1 20 LEU H H 13.132 0.204 -0.641 1.00 . A A . 20 LEU H 1 1 10 3490 1 1 20 LEU HA H 10.974 -0.969 -2.469 1.00 . A A . 20 LEU HA 1 1 10 3491 1 1 20 LEU HB2 H 11.412 1.663 -2.208 1.00 . A A . 20 LEU HB2 1 1 10 3492 1 1 20 LEU HB3 H 12.820 1.399 -3.196 1.00 . A A . 20 LEU HB3 1 1 10 3493 1 1 20 LEU HD11 H 11.587 3.182 -4.790 1.00 . A A . 20 LEU HD11 1 1 10 3494 1 1 20 LEU HD12 H 10.226 3.162 -3.646 1.00 . A A . 20 LEU HD12 1 1 10 3495 1 1 20 LEU HD13 H 9.942 2.791 -5.354 1.00 . A A . 20 LEU HD13 1 1 10 3496 1 1 20 LEU HD21 H 11.497 -0.616 -5.432 1.00 . A A . 20 LEU HD21 1 1 10 3497 1 1 20 LEU HD22 H 10.779 0.678 -6.394 1.00 . A A . 20 LEU HD22 1 1 10 3498 1 1 20 LEU HD23 H 12.449 0.846 -5.798 1.00 . A A . 20 LEU HD23 1 1 10 3499 1 1 20 LEU HG H 9.930 0.689 -4.016 1.00 . A A . 20 LEU HG 1 1 10 3500 1 1 20 LEU N N 12.420 -0.444 -0.997 1.00 . A A . 20 LEU N 1 1 10 3501 1 1 20 LEU O O 12.492 -2.534 -3.585 1.00 . A A . 20 LEU O 1 1 10 3502 1 1 21 ILE C C 16.572 -1.546 -3.594 1.00 . A A . 21 ILE C 1 1 10 3503 1 1 21 ILE CA C 15.174 -1.832 -4.221 1.00 . A A . 21 ILE CA 1 1 10 3504 1 1 21 ILE CB C 15.086 -1.641 -5.783 1.00 . A A . 21 ILE CB 1 1 10 3505 1 1 21 ILE CD1 C 15.485 -4.137 -6.467 1.00 . A A . 21 ILE CD1 1 1 10 3506 1 1 21 ILE CG1 C 15.925 -2.670 -6.597 1.00 . A A . 21 ILE CG1 1 1 10 3507 1 1 21 ILE CG2 C 15.425 -0.212 -6.283 1.00 . A A . 21 ILE CG2 1 1 10 3508 1 1 21 ILE H H 14.363 -0.071 -3.131 1.00 . A A . 21 ILE H 1 1 10 3509 1 1 21 ILE HA H 14.930 -2.895 -4.022 1.00 . A A . 21 ILE HA 1 1 10 3510 1 1 21 ILE HB H 14.029 -1.814 -6.065 1.00 . A A . 21 ILE HB 1 1 10 3511 1 1 21 ILE HD11 H 15.621 -4.523 -5.440 1.00 . A A . 21 ILE HD11 1 1 10 3512 1 1 21 ILE HD12 H 14.422 -4.271 -6.738 1.00 . A A . 21 ILE HD12 1 1 10 3513 1 1 21 ILE HD13 H 16.078 -4.789 -7.135 1.00 . A A . 21 ILE HD13 1 1 10 3514 1 1 21 ILE HG12 H 15.881 -2.416 -7.673 1.00 . A A . 21 ILE HG12 1 1 10 3515 1 1 21 ILE HG13 H 16.995 -2.588 -6.328 1.00 . A A . 21 ILE HG13 1 1 10 3516 1 1 21 ILE HG21 H 15.203 -0.093 -7.360 1.00 . A A . 21 ILE HG21 1 1 10 3517 1 1 21 ILE HG22 H 14.840 0.561 -5.754 1.00 . A A . 21 ILE HG22 1 1 10 3518 1 1 21 ILE HG23 H 16.494 0.037 -6.144 1.00 . A A . 21 ILE HG23 1 1 10 3519 1 1 21 ILE N N 14.166 -1.010 -3.492 1.00 . A A . 21 ILE N 1 1 10 3520 1 1 21 ILE O O 17.061 -0.415 -3.561 1.00 . A A . 21 ILE O 1 1 11 3521 1 1 1 TYR C C -17.620 -1.342 -0.675 1.00 . A A . 1 TYR C 1 1 11 3522 1 1 1 TYR CA C -18.850 -1.911 -1.432 1.00 . A A . 1 TYR CA 1 1 11 3523 1 1 1 TYR CB C -18.579 -1.997 -2.965 1.00 . A A . 1 TYR CB 1 1 11 3524 1 1 1 TYR CD1 C -19.638 -4.152 -3.829 1.00 . A A . 1 TYR CD1 1 1 11 3525 1 1 1 TYR CD2 C -20.627 -2.049 -4.487 1.00 . A A . 1 TYR CD2 1 1 11 3526 1 1 1 TYR CE1 C -20.609 -4.835 -4.559 1.00 . A A . 1 TYR CE1 1 1 11 3527 1 1 1 TYR CE2 C -21.598 -2.734 -5.215 1.00 . A A . 1 TYR CE2 1 1 11 3528 1 1 1 TYR CG C -19.641 -2.753 -3.786 1.00 . A A . 1 TYR CG 1 1 11 3529 1 1 1 TYR CZ C -21.588 -4.127 -5.252 1.00 . A A . 1 TYR CZ 1 1 11 3530 1 1 1 TYR H1 H -19.926 -0.017 -1.054 1.00 . A A . 1 TYR H1 1 1 11 3531 1 1 1 TYR HA H -19.041 -2.946 -1.077 1.00 . A A . 1 TYR HA 1 1 11 3532 1 1 1 TYR HB2 H -18.436 -0.975 -3.377 1.00 . A A . 1 TYR HB2 1 1 11 3533 1 1 1 TYR HB3 H -17.604 -2.503 -3.124 1.00 . A A . 1 TYR HB3 1 1 11 3534 1 1 1 TYR HD1 H -18.888 -4.716 -3.293 1.00 . A A . 1 TYR HD1 1 1 11 3535 1 1 1 TYR HD2 H -20.652 -0.968 -4.463 1.00 . A A . 1 TYR HD2 1 1 11 3536 1 1 1 TYR HE1 H -20.599 -5.916 -4.585 1.00 . A A . 1 TYR HE1 1 1 11 3537 1 1 1 TYR HE2 H -22.357 -2.181 -5.750 1.00 . A A . 1 TYR HE2 1 1 11 3538 1 1 1 TYR HH H -22.386 -5.744 -5.891 1.00 . A A . 1 TYR HH 1 1 11 3539 1 1 1 TYR N N -20.013 -1.038 -1.111 1.00 . A A . 1 TYR N 1 1 11 3540 1 1 1 TYR O O -17.084 -0.289 -1.042 1.00 . A A . 1 TYR O 1 1 11 3541 1 1 1 TYR OH O -22.543 -4.801 -5.971 1.00 . A A . 1 TYR OH 1 1 11 3542 1 1 2 ASP C C -14.728 -2.321 0.658 1.00 . A A . 2 ASP C 1 1 11 3543 1 1 2 ASP CA C -16.013 -1.642 1.212 1.00 . A A . 2 ASP CA 1 1 11 3544 1 1 2 ASP CB C -16.271 -1.976 2.709 1.00 . A A . 2 ASP CB 1 1 11 3545 1 1 2 ASP CG C -15.273 -1.323 3.677 1.00 . A A . 2 ASP CG 1 1 11 3546 1 1 2 ASP H H -17.702 -2.923 0.543 1.00 . A A . 2 ASP H 1 1 11 3547 1 1 2 ASP HA H -15.915 -0.537 1.159 1.00 . A A . 2 ASP HA 1 1 11 3548 1 1 2 ASP HB2 H -17.289 -1.652 3.001 1.00 . A A . 2 ASP HB2 1 1 11 3549 1 1 2 ASP HB3 H -16.257 -3.070 2.884 1.00 . A A . 2 ASP HB3 1 1 11 3550 1 1 2 ASP HD2 H -16.455 0.222 3.589 1.00 . A A . 2 ASP HD2 1 1 11 3551 1 1 2 ASP N N -17.181 -2.054 0.382 1.00 . A A . 2 ASP N 1 1 11 3552 1 1 2 ASP O O -14.598 -3.550 0.693 1.00 . A A . 2 ASP O 1 1 11 3553 1 1 2 ASP OD1 O -14.263 -1.890 4.092 1.00 . A A . 2 ASP OD1 1 1 11 3554 1 1 2 ASP OD2 O -15.637 -0.044 4.015 1.00 . A A . 2 ASP OD2 1 1 11 3555 1 1 3 ASN C C -11.394 -1.097 0.261 1.00 . A A . 3 ASN C 1 1 11 3556 1 1 3 ASN CA C -12.506 -1.961 -0.411 1.00 . A A . 3 ASN CA 1 1 11 3557 1 1 3 ASN CB C -12.602 -2.040 -1.975 1.00 . A A . 3 ASN CB 1 1 11 3558 1 1 3 ASN CG C -13.541 -3.126 -2.544 1.00 . A A . 3 ASN CG 1 1 11 3559 1 1 3 ASN H H -13.934 -0.501 0.242 1.00 . A A . 3 ASN H 1 1 11 3560 1 1 3 ASN HA H -12.272 -2.958 -0.061 1.00 . A A . 3 ASN HA 1 1 11 3561 1 1 3 ASN HB2 H -12.847 -1.041 -2.390 1.00 . A A . 3 ASN HB2 1 1 11 3562 1 1 3 ASN HB3 H -11.599 -2.264 -2.383 1.00 . A A . 3 ASN HB3 1 1 11 3563 1 1 3 ASN HD21 H -14.800 -1.725 -3.232 1.00 . A A . 3 ASN HD21 1 1 11 3564 1 1 3 ASN HD22 H -15.249 -3.478 -3.534 1.00 . A A . 3 ASN HD22 1 1 11 3565 1 1 3 ASN N N -13.793 -1.501 0.143 1.00 . A A . 3 ASN N 1 1 11 3566 1 1 3 ASN ND2 N -14.642 -2.737 -3.167 1.00 . A A . 3 ASN ND2 1 1 11 3567 1 1 3 ASN O O -11.338 -0.984 1.490 1.00 . A A . 3 ASN O 1 1 11 3568 1 1 3 ASN OD1 O -13.281 -4.323 -2.422 1.00 . A A . 3 ASN OD1 1 1 11 3569 1 1 4 ILE C C -8.181 -0.193 0.628 1.00 . A A . 4 ILE C 1 1 11 3570 1 1 4 ILE CA C -9.355 0.344 -0.264 1.00 . A A . 4 ILE CA 1 1 11 3571 1 1 4 ILE CB C -9.825 1.813 0.033 1.00 . A A . 4 ILE CB 1 1 11 3572 1 1 4 ILE CD1 C -9.238 4.309 -0.526 1.00 . A A . 4 ILE CD1 1 1 11 3573 1 1 4 ILE CG1 C -8.738 2.866 -0.345 1.00 . A A . 4 ILE CG1 1 1 11 3574 1 1 4 ILE CG2 C -10.330 2.044 1.477 1.00 . A A . 4 ILE CG2 1 1 11 3575 1 1 4 ILE H H -10.831 -0.765 -1.518 1.00 . A A . 4 ILE H 1 1 11 3576 1 1 4 ILE HA H -8.881 0.420 -1.255 1.00 . A A . 4 ILE HA 1 1 11 3577 1 1 4 ILE HB H -10.684 1.989 -0.646 1.00 . A A . 4 ILE HB 1 1 11 3578 1 1 4 ILE HD11 H -10.039 4.371 -1.285 1.00 . A A . 4 ILE HD11 1 1 11 3579 1 1 4 ILE HD12 H -9.631 4.736 0.414 1.00 . A A . 4 ILE HD12 1 1 11 3580 1 1 4 ILE HD13 H -8.419 4.971 -0.862 1.00 . A A . 4 ILE HD13 1 1 11 3581 1 1 4 ILE HG12 H -7.920 2.855 0.401 1.00 . A A . 4 ILE HG12 1 1 11 3582 1 1 4 ILE HG13 H -8.256 2.576 -1.298 1.00 . A A . 4 ILE HG13 1 1 11 3583 1 1 4 ILE HG21 H -11.216 1.431 1.702 1.00 . A A . 4 ILE HG21 1 1 11 3584 1 1 4 ILE HG22 H -9.552 1.803 2.225 1.00 . A A . 4 ILE HG22 1 1 11 3585 1 1 4 ILE HG23 H -10.638 3.091 1.643 1.00 . A A . 4 ILE HG23 1 1 11 3586 1 1 4 ILE N N -10.505 -0.561 -0.578 1.00 . A A . 4 ILE N 1 1 11 3587 1 1 4 ILE O O -7.030 0.173 0.374 1.00 . A A . 4 ILE O 1 1 11 3588 1 1 5 LEU C C -6.474 -2.670 1.912 1.00 . A A . 5 LEU C 1 1 11 3589 1 1 5 LEU CA C -7.418 -1.610 2.546 1.00 . A A . 5 LEU CA 1 1 11 3590 1 1 5 LEU CB C -8.082 -2.161 3.848 1.00 . A A . 5 LEU CB 1 1 11 3591 1 1 5 LEU CD1 C -9.585 -1.863 5.884 1.00 . A A . 5 LEU CD1 1 1 11 3592 1 1 5 LEU CD2 C -7.841 -0.104 5.397 1.00 . A A . 5 LEU CD2 1 1 11 3593 1 1 5 LEU CG C -8.803 -1.136 4.772 1.00 . A A . 5 LEU CG 1 1 11 3594 1 1 5 LEU H H -9.437 -1.265 1.736 1.00 . A A . 5 LEU H 1 1 11 3595 1 1 5 LEU HA H -6.766 -0.758 2.797 1.00 . A A . 5 LEU HA 1 1 11 3596 1 1 5 LEU HB2 H -8.801 -2.959 3.567 1.00 . A A . 5 LEU HB2 1 1 11 3597 1 1 5 LEU HB3 H -7.326 -2.698 4.457 1.00 . A A . 5 LEU HB3 1 1 11 3598 1 1 5 LEU HD11 H -10.145 -1.153 6.521 1.00 . A A . 5 LEU HD11 1 1 11 3599 1 1 5 LEU HD12 H -10.330 -2.565 5.465 1.00 . A A . 5 LEU HD12 1 1 11 3600 1 1 5 LEU HD13 H -8.921 -2.447 6.548 1.00 . A A . 5 LEU HD13 1 1 11 3601 1 1 5 LEU HD21 H -7.050 -0.586 6.003 1.00 . A A . 5 LEU HD21 1 1 11 3602 1 1 5 LEU HD22 H -7.337 0.509 4.628 1.00 . A A . 5 LEU HD22 1 1 11 3603 1 1 5 LEU HD23 H -8.375 0.604 6.058 1.00 . A A . 5 LEU HD23 1 1 11 3604 1 1 5 LEU HG H -9.545 -0.581 4.168 1.00 . A A . 5 LEU HG 1 1 11 3605 1 1 5 LEU N N -8.447 -1.040 1.636 1.00 . A A . 5 LEU N 1 1 11 3606 1 1 5 LEU O O -5.272 -2.632 2.187 1.00 . A A . 5 LEU O 1 1 11 3607 1 1 6 VAL C C -5.136 -3.984 -0.596 1.00 . A A . 6 VAL C 1 1 11 3608 1 1 6 VAL CA C -6.180 -4.641 0.375 1.00 . A A . 6 VAL CA 1 1 11 3609 1 1 6 VAL CB C -7.071 -5.733 -0.327 1.00 . A A . 6 VAL CB 1 1 11 3610 1 1 6 VAL CG1 C -6.239 -6.925 -0.861 1.00 . A A . 6 VAL CG1 1 1 11 3611 1 1 6 VAL CG2 C -8.196 -6.295 0.565 1.00 . A A . 6 VAL CG2 1 1 11 3612 1 1 6 VAL H H -8.015 -3.534 0.975 1.00 . A A . 6 VAL H 1 1 11 3613 1 1 6 VAL HA H -5.594 -5.160 1.156 1.00 . A A . 6 VAL HA 1 1 11 3614 1 1 6 VAL HB H -7.586 -5.286 -1.197 1.00 . A A . 6 VAL HB 1 1 11 3615 1 1 6 VAL HG11 H -5.485 -6.600 -1.601 1.00 . A A . 6 VAL HG11 1 1 11 3616 1 1 6 VAL HG12 H -5.697 -7.448 -0.050 1.00 . A A . 6 VAL HG12 1 1 11 3617 1 1 6 VAL HG13 H -6.872 -7.674 -1.372 1.00 . A A . 6 VAL HG13 1 1 11 3618 1 1 6 VAL HG21 H -8.789 -7.063 0.037 1.00 . A A . 6 VAL HG21 1 1 11 3619 1 1 6 VAL HG22 H -8.907 -5.497 0.853 1.00 . A A . 6 VAL HG22 1 1 11 3620 1 1 6 VAL HG23 H -7.796 -6.737 1.495 1.00 . A A . 6 VAL HG23 1 1 11 3621 1 1 6 VAL N N -6.998 -3.600 1.085 1.00 . A A . 6 VAL N 1 1 11 3622 1 1 6 VAL O O -3.965 -4.373 -0.585 1.00 . A A . 6 VAL O 1 1 11 3623 1 1 7 LYS C C -3.639 -1.337 -1.619 1.00 . A A . 7 LYS C 1 1 11 3624 1 1 7 LYS CA C -4.690 -2.241 -2.338 1.00 . A A . 7 LYS CA 1 1 11 3625 1 1 7 LYS CB C -5.529 -1.410 -3.356 1.00 . A A . 7 LYS CB 1 1 11 3626 1 1 7 LYS CD C -6.030 -3.269 -5.116 1.00 . A A . 7 LYS CD 1 1 11 3627 1 1 7 LYS CE C -7.105 -3.897 -6.020 1.00 . A A . 7 LYS CE 1 1 11 3628 1 1 7 LYS CG C -6.585 -2.129 -4.236 1.00 . A A . 7 LYS CG 1 1 11 3629 1 1 7 LYS H H -6.565 -2.778 -1.269 1.00 . A A . 7 LYS H 1 1 11 3630 1 1 7 LYS HA H -4.094 -2.979 -2.903 1.00 . A A . 7 LYS HA 1 1 11 3631 1 1 7 LYS HB2 H -6.048 -0.595 -2.816 1.00 . A A . 7 LYS HB2 1 1 11 3632 1 1 7 LYS HB3 H -4.831 -0.885 -4.038 1.00 . A A . 7 LYS HB3 1 1 11 3633 1 1 7 LYS HD2 H -5.198 -2.880 -5.735 1.00 . A A . 7 LYS HD2 1 1 11 3634 1 1 7 LYS HD3 H -5.588 -4.051 -4.469 1.00 . A A . 7 LYS HD3 1 1 11 3635 1 1 7 LYS HE2 H -7.935 -4.301 -5.411 1.00 . A A . 7 LYS HE2 1 1 11 3636 1 1 7 LYS HE3 H -7.551 -3.130 -6.681 1.00 . A A . 7 LYS HE3 1 1 11 3637 1 1 7 LYS HG2 H -7.423 -2.501 -3.611 1.00 . A A . 7 LYS HG2 1 1 11 3638 1 1 7 LYS HG3 H -7.049 -1.370 -4.893 1.00 . A A . 7 LYS HG3 1 1 11 3639 1 1 7 LYS HZ2 H -5.778 -4.621 -7.426 1.00 . A A . 7 LYS HZ2 1 1 11 3640 1 1 7 LYS HZ3 H -6.132 -5.703 -6.253 1.00 . A A . 7 LYS HZ3 1 1 11 3641 1 1 7 LYS N N -5.571 -2.995 -1.403 1.00 . A A . 7 LYS N 1 1 11 3642 1 1 7 LYS NZ N -6.548 -4.979 -6.850 1.00 . A A . 7 LYS NZ 1 1 11 3643 1 1 7 LYS O O -2.469 -1.358 -2.010 1.00 . A A . 7 LYS O 1 1 11 3644 1 1 8 MET C C -2.088 -0.439 1.139 1.00 . A A . 8 MET C 1 1 11 3645 1 1 8 MET CA C -3.112 0.289 0.207 1.00 . A A . 8 MET CA 1 1 11 3646 1 1 8 MET CB C -3.879 1.396 0.957 1.00 . A A . 8 MET CB 1 1 11 3647 1 1 8 MET CE C -2.556 3.947 -0.888 1.00 . A A . 8 MET CE 1 1 11 3648 1 1 8 MET CG C -4.691 2.400 0.107 1.00 . A A . 8 MET CG 1 1 11 3649 1 1 8 MET H H -5.013 -0.677 -0.311 1.00 . A A . 8 MET H 1 1 11 3650 1 1 8 MET HA H -2.519 0.844 -0.512 1.00 . A A . 8 MET HA 1 1 11 3651 1 1 8 MET HB2 H -4.535 0.925 1.692 1.00 . A A . 8 MET HB2 1 1 11 3652 1 1 8 MET HB3 H -3.159 1.988 1.553 1.00 . A A . 8 MET HB3 1 1 11 3653 1 1 8 MET HE1 H -1.864 3.428 -0.200 1.00 . A A . 8 MET HE1 1 1 11 3654 1 1 8 MET HE2 H -1.969 4.316 -1.748 1.00 . A A . 8 MET HE2 1 1 11 3655 1 1 8 MET HE3 H -2.979 4.821 -0.361 1.00 . A A . 8 MET HE3 1 1 11 3656 1 1 8 MET HG2 H -5.709 2.021 -0.115 1.00 . A A . 8 MET HG2 1 1 11 3657 1 1 8 MET HG3 H -4.838 3.318 0.692 1.00 . A A . 8 MET HG3 1 1 11 3658 1 1 8 MET N N -4.035 -0.573 -0.577 1.00 . A A . 8 MET N 1 1 11 3659 1 1 8 MET O O -1.105 0.198 1.529 1.00 . A A . 8 MET O 1 1 11 3660 1 1 8 MET SD S -3.865 2.835 -1.448 1.00 . A A . 8 MET SD 1 1 11 3661 1 1 9 PHE C C 0.046 -2.719 1.607 1.00 . A A . 9 PHE C 1 1 11 3662 1 1 9 PHE CA C -1.322 -2.509 2.334 1.00 . A A . 9 PHE CA 1 1 11 3663 1 1 9 PHE CB C -2.019 -3.820 2.805 1.00 . A A . 9 PHE CB 1 1 11 3664 1 1 9 PHE CD1 C -1.205 -4.354 5.165 1.00 . A A . 9 PHE CD1 1 1 11 3665 1 1 9 PHE CD2 C -0.472 -5.774 3.352 1.00 . A A . 9 PHE CD2 1 1 11 3666 1 1 9 PHE CE1 C -0.467 -5.123 6.063 1.00 . A A . 9 PHE CE1 1 1 11 3667 1 1 9 PHE CE2 C 0.266 -6.539 4.251 1.00 . A A . 9 PHE CE2 1 1 11 3668 1 1 9 PHE CG C -1.213 -4.674 3.802 1.00 . A A . 9 PHE CG 1 1 11 3669 1 1 9 PHE CZ C 0.268 -6.214 5.605 1.00 . A A . 9 PHE CZ 1 1 11 3670 1 1 9 PHE H H -3.098 -2.182 1.069 1.00 . A A . 9 PHE H 1 1 11 3671 1 1 9 PHE HA H -1.121 -1.912 3.241 1.00 . A A . 9 PHE HA 1 1 11 3672 1 1 9 PHE HB2 H -2.991 -3.571 3.273 1.00 . A A . 9 PHE HB2 1 1 11 3673 1 1 9 PHE HB3 H -2.299 -4.432 1.924 1.00 . A A . 9 PHE HB3 1 1 11 3674 1 1 9 PHE HD1 H -1.768 -3.508 5.533 1.00 . A A . 9 PHE HD1 1 1 11 3675 1 1 9 PHE HD2 H -0.460 -6.036 2.303 1.00 . A A . 9 PHE HD2 1 1 11 3676 1 1 9 PHE HE1 H -0.463 -4.872 7.113 1.00 . A A . 9 PHE HE1 1 1 11 3677 1 1 9 PHE HE2 H 0.838 -7.385 3.898 1.00 . A A . 9 PHE HE2 1 1 11 3678 1 1 9 PHE HZ H 0.840 -6.809 6.302 1.00 . A A . 9 PHE HZ 1 1 11 3679 1 1 9 PHE N N -2.277 -1.733 1.492 1.00 . A A . 9 PHE N 1 1 11 3680 1 1 9 PHE O O 1.079 -2.291 2.127 1.00 . A A . 9 PHE O 1 1 11 3681 1 1 10 LYS C C 1.846 -2.284 -1.064 1.00 . A A . 10 LYS C 1 1 11 3682 1 1 10 LYS CA C 1.258 -3.574 -0.410 1.00 . A A . 10 LYS CA 1 1 11 3683 1 1 10 LYS CB C 1.037 -4.665 -1.518 1.00 . A A . 10 LYS CB 1 1 11 3684 1 1 10 LYS CD C 0.335 -7.062 -2.139 1.00 . A A . 10 LYS CD 1 1 11 3685 1 1 10 LYS CE C -0.007 -8.495 -1.683 1.00 . A A . 10 LYS CE 1 1 11 3686 1 1 10 LYS CG C 0.715 -6.089 -1.002 1.00 . A A . 10 LYS CG 1 1 11 3687 1 1 10 LYS H H -0.909 -3.686 0.172 1.00 . A A . 10 LYS H 1 1 11 3688 1 1 10 LYS HA H 2.039 -3.893 0.314 1.00 . A A . 10 LYS HA 1 1 11 3689 1 1 10 LYS HB2 H 0.236 -4.332 -2.209 1.00 . A A . 10 LYS HB2 1 1 11 3690 1 1 10 LYS HB3 H 1.916 -4.748 -2.199 1.00 . A A . 10 LYS HB3 1 1 11 3691 1 1 10 LYS HD2 H -0.546 -6.654 -2.669 1.00 . A A . 10 LYS HD2 1 1 11 3692 1 1 10 LYS HD3 H 1.140 -7.092 -2.898 1.00 . A A . 10 LYS HD3 1 1 11 3693 1 1 10 LYS HE2 H -0.774 -8.476 -0.887 1.00 . A A . 10 LYS HE2 1 1 11 3694 1 1 10 LYS HE3 H -0.465 -9.045 -2.525 1.00 . A A . 10 LYS HE3 1 1 11 3695 1 1 10 LYS HG2 H 1.581 -6.498 -0.447 1.00 . A A . 10 LYS HG2 1 1 11 3696 1 1 10 LYS HG3 H -0.117 -6.048 -0.274 1.00 . A A . 10 LYS HG3 1 1 11 3697 1 1 10 LYS HZ2 H 0.893 -10.213 -0.970 1.00 . A A . 10 LYS HZ2 1 1 11 3698 1 1 10 LYS HZ3 H 1.851 -9.351 -1.976 1.00 . A A . 10 LYS HZ3 1 1 11 3699 1 1 10 LYS N N 0.029 -3.350 0.416 1.00 . A A . 10 LYS N 1 1 11 3700 1 1 10 LYS NZ N 1.169 -9.256 -1.215 1.00 . A A . 10 LYS NZ 1 1 11 3701 1 1 10 LYS O O 3.070 -2.194 -1.184 1.00 . A A . 10 LYS O 1 1 11 3702 1 1 11 THR C C 2.347 0.817 -1.065 1.00 . A A . 11 THR C 1 1 11 3703 1 1 11 THR CA C 1.477 -0.012 -2.067 1.00 . A A . 11 THR CA 1 1 11 3704 1 1 11 THR CB C 0.259 0.769 -2.651 1.00 . A A . 11 THR CB 1 1 11 3705 1 1 11 THR CG2 C 0.626 2.074 -3.375 1.00 . A A . 11 THR CG2 1 1 11 3706 1 1 11 THR H H 0.018 -1.476 -1.339 1.00 . A A . 11 THR H 1 1 11 3707 1 1 11 THR HA H 2.118 -0.283 -2.916 1.00 . A A . 11 THR HA 1 1 11 3708 1 1 11 THR HB H -0.442 1.020 -1.832 1.00 . A A . 11 THR HB 1 1 11 3709 1 1 11 THR HG1 H 0.184 -0.219 -4.302 1.00 . A A . 11 THR HG1 1 1 11 3710 1 1 11 THR HG21 H 1.325 1.891 -4.212 1.00 . A A . 11 THR HG21 1 1 11 3711 1 1 11 THR HG22 H -0.272 2.565 -3.792 1.00 . A A . 11 THR HG22 1 1 11 3712 1 1 11 THR HG23 H 1.104 2.799 -2.692 1.00 . A A . 11 THR HG23 1 1 11 3713 1 1 11 THR N N 1.014 -1.299 -1.478 1.00 . A A . 11 THR N 1 1 11 3714 1 1 11 THR O O 3.476 1.186 -1.394 1.00 . A A . 11 THR O 1 1 11 3715 1 1 11 THR OG1 O -0.441 -0.035 -3.598 1.00 . A A . 11 THR OG1 1 1 11 3716 1 1 12 ASN C C 3.772 1.054 1.806 1.00 . A A . 12 ASN C 1 1 11 3717 1 1 12 ASN CA C 2.519 1.797 1.232 1.00 . A A . 12 ASN CA 1 1 11 3718 1 1 12 ASN CB C 1.464 2.143 2.329 1.00 . A A . 12 ASN CB 1 1 11 3719 1 1 12 ASN CG C 1.921 3.205 3.349 1.00 . A A . 12 ASN CG 1 1 11 3720 1 1 12 ASN H H 0.864 0.731 0.260 1.00 . A A . 12 ASN H 1 1 11 3721 1 1 12 ASN HA H 2.874 2.739 0.772 1.00 . A A . 12 ASN HA 1 1 11 3722 1 1 12 ASN HB2 H 0.534 2.534 1.866 1.00 . A A . 12 ASN HB2 1 1 11 3723 1 1 12 ASN HB3 H 1.122 1.221 2.845 1.00 . A A . 12 ASN HB3 1 1 11 3724 1 1 12 ASN HD21 H 2.232 1.789 4.735 1.00 . A A . 12 ASN HD21 1 1 11 3725 1 1 12 ASN HD22 H 2.582 3.525 5.216 1.00 . A A . 12 ASN HD22 1 1 11 3726 1 1 12 ASN N N 1.818 1.071 0.147 1.00 . A A . 12 ASN N 1 1 11 3727 1 1 12 ASN ND2 N 2.280 2.798 4.557 1.00 . A A . 12 ASN ND2 1 1 11 3728 1 1 12 ASN O O 4.776 1.721 2.072 1.00 . A A . 12 ASN O 1 1 11 3729 1 1 12 ASN OD1 O 1.954 4.400 3.055 1.00 . A A . 12 ASN OD1 1 1 11 3730 1 1 13 GLU C C 6.087 -1.123 1.508 1.00 . A A . 13 GLU C 1 1 11 3731 1 1 13 GLU CA C 4.877 -1.086 2.491 1.00 . A A . 13 GLU CA 1 1 11 3732 1 1 13 GLU CB C 4.364 -2.496 2.913 1.00 . A A . 13 GLU CB 1 1 11 3733 1 1 13 GLU CD C 5.996 -2.947 4.880 1.00 . A A . 13 GLU CD 1 1 11 3734 1 1 13 GLU CG C 5.391 -3.452 3.565 1.00 . A A . 13 GLU CG 1 1 11 3735 1 1 13 GLU H H 2.858 -0.754 1.731 1.00 . A A . 13 GLU H 1 1 11 3736 1 1 13 GLU HA H 5.212 -0.586 3.408 1.00 . A A . 13 GLU HA 1 1 11 3737 1 1 13 GLU HB2 H 3.511 -2.384 3.612 1.00 . A A . 13 GLU HB2 1 1 11 3738 1 1 13 GLU HB3 H 3.937 -3.008 2.029 1.00 . A A . 13 GLU HB3 1 1 11 3739 1 1 13 GLU HE2 H 5.566 -2.880 6.777 1.00 . A A . 13 GLU HE2 1 1 11 3740 1 1 13 GLU HG2 H 4.910 -4.431 3.744 1.00 . A A . 13 GLU HG2 1 1 11 3741 1 1 13 GLU HG3 H 6.208 -3.668 2.851 1.00 . A A . 13 GLU HG3 1 1 11 3742 1 1 13 GLU N N 3.728 -0.287 1.995 1.00 . A A . 13 GLU N 1 1 11 3743 1 1 13 GLU O O 7.200 -0.764 1.903 1.00 . A A . 13 GLU O 1 1 11 3744 1 1 13 GLU OE1 O 7.085 -2.378 4.949 1.00 . A A . 13 GLU OE1 1 1 11 3745 1 1 13 GLU OE2 O 5.184 -3.200 5.956 1.00 . A A . 13 GLU OE2 1 1 11 3746 1 1 14 ASN C C 7.551 -0.279 -1.215 1.00 . A A . 14 ASN C 1 1 11 3747 1 1 14 ASN CA C 6.901 -1.632 -0.803 1.00 . A A . 14 ASN CA 1 1 11 3748 1 1 14 ASN CB C 6.393 -2.422 -2.044 1.00 . A A . 14 ASN CB 1 1 11 3749 1 1 14 ASN CG C 6.132 -3.927 -1.810 1.00 . A A . 14 ASN CG 1 1 11 3750 1 1 14 ASN H H 4.882 -1.807 0.082 1.00 . A A . 14 ASN H 1 1 11 3751 1 1 14 ASN HA H 7.703 -2.230 -0.362 1.00 . A A . 14 ASN HA 1 1 11 3752 1 1 14 ASN HB2 H 5.472 -1.953 -2.440 1.00 . A A . 14 ASN HB2 1 1 11 3753 1 1 14 ASN HB3 H 7.121 -2.323 -2.874 1.00 . A A . 14 ASN HB3 1 1 11 3754 1 1 14 ASN HD21 H 8.080 -4.334 -2.070 1.00 . A A . 14 ASN HD21 1 1 11 3755 1 1 14 ASN HD22 H 6.968 -5.748 -1.709 1.00 . A A . 14 ASN HD22 1 1 11 3756 1 1 14 ASN N N 5.853 -1.540 0.250 1.00 . A A . 14 ASN N 1 1 11 3757 1 1 14 ASN ND2 N 7.166 -4.754 -1.870 1.00 . A A . 14 ASN ND2 1 1 11 3758 1 1 14 ASN O O 8.781 -0.194 -1.274 1.00 . A A . 14 ASN O 1 1 11 3759 1 1 14 ASN OD1 O 5.003 -4.354 -1.573 1.00 . A A . 14 ASN OD1 1 1 11 3760 1 1 15 ASN C C 7.780 2.857 -0.614 1.00 . A A . 15 ASN C 1 1 11 3761 1 1 15 ASN CA C 7.210 2.113 -1.842 1.00 . A A . 15 ASN CA 1 1 11 3762 1 1 15 ASN CB C 6.117 2.945 -2.589 1.00 . A A . 15 ASN CB 1 1 11 3763 1 1 15 ASN CG C 5.719 2.416 -3.982 1.00 . A A . 15 ASN CG 1 1 11 3764 1 1 15 ASN H H 5.744 0.572 -1.361 1.00 . A A . 15 ASN H 1 1 11 3765 1 1 15 ASN HA H 8.056 1.986 -2.527 1.00 . A A . 15 ASN HA 1 1 11 3766 1 1 15 ASN HB2 H 5.200 3.025 -1.970 1.00 . A A . 15 ASN HB2 1 1 11 3767 1 1 15 ASN HB3 H 6.440 4.002 -2.688 1.00 . A A . 15 ASN HB3 1 1 11 3768 1 1 15 ASN HD21 H 7.222 3.439 -4.831 1.00 . A A . 15 ASN HD21 1 1 11 3769 1 1 15 ASN HD22 H 6.156 2.439 -5.940 1.00 . A A . 15 ASN HD22 1 1 11 3770 1 1 15 ASN N N 6.734 0.759 -1.484 1.00 . A A . 15 ASN N 1 1 11 3771 1 1 15 ASN ND2 N 6.439 2.805 -5.024 1.00 . A A . 15 ASN ND2 1 1 11 3772 1 1 15 ASN O O 8.979 3.126 -0.578 1.00 . A A . 15 ASN O 1 1 11 3773 1 1 15 ASN OD1 O 4.763 1.655 -4.129 1.00 . A A . 15 ASN OD1 1 1 11 3774 1 1 16 ASP C C 8.053 5.266 1.283 1.00 . A A . 16 ASP C 1 1 11 3775 1 1 16 ASP CA C 7.381 3.893 1.633 1.00 . A A . 16 ASP CA 1 1 11 3776 1 1 16 ASP CB C 8.185 2.948 2.569 1.00 . A A . 16 ASP CB 1 1 11 3777 1 1 16 ASP CG C 8.378 3.473 3.998 1.00 . A A . 16 ASP CG 1 1 11 3778 1 1 16 ASP H H 5.972 2.935 0.205 1.00 . A A . 16 ASP H 1 1 11 3779 1 1 16 ASP HA H 6.454 4.117 2.170 1.00 . A A . 16 ASP HA 1 1 11 3780 1 1 16 ASP HB2 H 7.694 1.957 2.628 1.00 . A A . 16 ASP HB2 1 1 11 3781 1 1 16 ASP HB3 H 9.172 2.748 2.120 1.00 . A A . 16 ASP HB3 1 1 11 3782 1 1 16 ASP HD2 H 6.702 2.559 4.379 1.00 . A A . 16 ASP HD2 1 1 11 3783 1 1 16 ASP N N 6.950 3.170 0.398 1.00 . A A . 16 ASP N 1 1 11 3784 1 1 16 ASP O O 9.224 5.499 1.595 1.00 . A A . 16 ASP O 1 1 11 3785 1 1 16 ASP OD1 O 9.337 4.161 4.344 1.00 . A A . 16 ASP OD1 1 1 11 3786 1 1 16 ASP OD2 O 7.359 3.091 4.833 1.00 . A A . 16 ASP OD2 1 1 11 3787 1 1 17 LYS C C 8.496 7.445 -1.194 1.00 . A A . 17 LYS C 1 1 11 3788 1 1 17 LYS CA C 7.651 7.487 0.123 1.00 . A A . 17 LYS CA 1 1 11 3789 1 1 17 LYS CB C 8.172 8.395 1.263 1.00 . A A . 17 LYS CB 1 1 11 3790 1 1 17 LYS CD C 7.132 10.637 0.521 1.00 . A A . 17 LYS CD 1 1 11 3791 1 1 17 LYS CE C 7.364 12.144 0.313 1.00 . A A . 17 LYS CE 1 1 11 3792 1 1 17 LYS CG C 8.415 9.882 0.926 1.00 . A A . 17 LYS CG 1 1 11 3793 1 1 17 LYS H H 6.348 5.765 0.390 1.00 . A A . 17 LYS H 1 1 11 3794 1 1 17 LYS HA H 6.688 7.929 -0.179 1.00 . A A . 17 LYS HA 1 1 11 3795 1 1 17 LYS HB2 H 7.471 8.348 2.120 1.00 . A A . 17 LYS HB2 1 1 11 3796 1 1 17 LYS HB3 H 9.090 7.930 1.637 1.00 . A A . 17 LYS HB3 1 1 11 3797 1 1 17 LYS HD2 H 6.727 10.188 -0.408 1.00 . A A . 17 LYS HD2 1 1 11 3798 1 1 17 LYS HD3 H 6.356 10.470 1.293 1.00 . A A . 17 LYS HD3 1 1 11 3799 1 1 17 LYS HE2 H 7.758 12.606 1.237 1.00 . A A . 17 LYS HE2 1 1 11 3800 1 1 17 LYS HE3 H 8.128 12.313 -0.469 1.00 . A A . 17 LYS HE3 1 1 11 3801 1 1 17 LYS HG2 H 8.865 10.370 1.811 1.00 . A A . 17 LYS HG2 1 1 11 3802 1 1 17 LYS HG3 H 9.175 9.968 0.126 1.00 . A A . 17 LYS HG3 1 1 11 3803 1 1 17 LYS HZ2 H 6.305 13.828 -0.239 1.00 . A A . 17 LYS HZ2 1 1 11 3804 1 1 17 LYS HZ3 H 5.778 12.463 -0.969 1.00 . A A . 17 LYS HZ3 1 1 11 3805 1 1 17 LYS N N 7.272 6.130 0.594 1.00 . A A . 17 LYS N 1 1 11 3806 1 1 17 LYS NZ N 6.120 12.832 -0.075 1.00 . A A . 17 LYS NZ 1 1 11 3807 1 1 17 LYS O O 8.116 8.097 -2.170 1.00 . A A . 17 LYS O 1 1 11 3808 1 1 18 SER C C 10.490 4.999 -2.701 1.00 . A A . 18 SER C 1 1 11 3809 1 1 18 SER CA C 10.486 6.530 -2.401 1.00 . A A . 18 SER CA 1 1 11 3810 1 1 18 SER CB C 11.861 7.223 -2.150 1.00 . A A . 18 SER CB 1 1 11 3811 1 1 18 SER H H 9.758 6.164 -0.349 1.00 . A A . 18 SER H 1 1 11 3812 1 1 18 SER HA H 10.012 6.981 -3.299 1.00 . A A . 18 SER HA 1 1 11 3813 1 1 18 SER HB2 H 11.776 8.266 -1.768 1.00 . A A . 18 SER HB2 1 1 11 3814 1 1 18 SER HB3 H 12.430 6.691 -1.365 1.00 . A A . 18 SER HB3 1 1 11 3815 1 1 18 SER HG H 12.730 6.313 -3.603 1.00 . A A . 18 SER HG 1 1 11 3816 1 1 18 SER N N 9.619 6.702 -1.210 1.00 . A A . 18 SER N 1 1 11 3817 1 1 18 SER O O 9.594 4.528 -3.409 1.00 . A A . 18 SER O 1 1 11 3818 1 1 18 SER OG O 12.626 7.232 -3.348 1.00 . A A . 18 SER OG 1 1 11 3819 1 1 19 GLU C C 12.344 2.223 -1.108 1.00 . A A . 19 GLU C 1 1 11 3820 1 1 19 GLU CA C 11.542 2.761 -2.333 1.00 . A A . 19 GLU CA 1 1 11 3821 1 1 19 GLU CB C 12.186 2.445 -3.716 1.00 . A A . 19 GLU CB 1 1 11 3822 1 1 19 GLU CD C 12.833 0.642 -5.417 1.00 . A A . 19 GLU CD 1 1 11 3823 1 1 19 GLU CG C 12.334 0.942 -4.002 1.00 . A A . 19 GLU CG 1 1 11 3824 1 1 19 GLU H H 12.199 4.719 -1.674 1.00 . A A . 19 GLU H 1 1 11 3825 1 1 19 GLU HA H 10.525 2.322 -2.324 1.00 . A A . 19 GLU HA 1 1 11 3826 1 1 19 GLU HB2 H 11.570 2.898 -4.516 1.00 . A A . 19 GLU HB2 1 1 11 3827 1 1 19 GLU HB3 H 13.178 2.931 -3.799 1.00 . A A . 19 GLU HB3 1 1 11 3828 1 1 19 GLU HE2 H 14.511 0.479 -6.390 1.00 . A A . 19 GLU HE2 1 1 11 3829 1 1 19 GLU HG2 H 13.027 0.502 -3.261 1.00 . A A . 19 GLU HG2 1 1 11 3830 1 1 19 GLU HG3 H 11.359 0.451 -3.839 1.00 . A A . 19 GLU HG3 1 1 11 3831 1 1 19 GLU N N 11.455 4.226 -2.161 1.00 . A A . 19 GLU N 1 1 11 3832 1 1 19 GLU O O 13.577 2.158 -1.181 1.00 . A A . 19 GLU O 1 1 11 3833 1 1 19 GLU OE1 O 12.083 0.405 -6.363 1.00 . A A . 19 GLU OE1 1 1 11 3834 1 1 19 GLU OE2 O 14.202 0.668 -5.501 1.00 . A A . 19 GLU OE2 1 1 11 3835 1 1 20 LEU C C 12.543 -0.281 1.008 1.00 . A A . 20 LEU C 1 1 11 3836 1 1 20 LEU CA C 12.384 1.264 1.195 1.00 . A A . 20 LEU CA 1 1 11 3837 1 1 20 LEU CB C 11.741 1.743 2.549 1.00 . A A . 20 LEU CB 1 1 11 3838 1 1 20 LEU CD1 C 13.856 2.332 3.918 1.00 . A A . 20 LEU CD1 1 1 11 3839 1 1 20 LEU CD2 C 11.733 1.656 5.100 1.00 . A A . 20 LEU CD2 1 1 11 3840 1 1 20 LEU CG C 12.582 1.464 3.828 1.00 . A A . 20 LEU CG 1 1 11 3841 1 1 20 LEU H H 10.660 2.058 0.013 1.00 . A A . 20 LEU H 1 1 11 3842 1 1 20 LEU HA H 13.430 1.635 1.188 1.00 . A A . 20 LEU HA 1 1 11 3843 1 1 20 LEU HB2 H 11.468 2.824 2.541 1.00 . A A . 20 LEU HB2 1 1 11 3844 1 1 20 LEU HB3 H 10.767 1.227 2.660 1.00 . A A . 20 LEU HB3 1 1 11 3845 1 1 20 LEU HD11 H 14.431 2.119 4.838 1.00 . A A . 20 LEU HD11 1 1 11 3846 1 1 20 LEU HD12 H 13.623 3.413 3.919 1.00 . A A . 20 LEU HD12 1 1 11 3847 1 1 20 LEU HD13 H 14.543 2.146 3.073 1.00 . A A . 20 LEU HD13 1 1 11 3848 1 1 20 LEU HD21 H 10.827 1.021 5.086 1.00 . A A . 20 LEU HD21 1 1 11 3849 1 1 20 LEU HD22 H 11.398 2.702 5.224 1.00 . A A . 20 LEU HD22 1 1 11 3850 1 1 20 LEU HD23 H 12.296 1.383 6.012 1.00 . A A . 20 LEU HD23 1 1 11 3851 1 1 20 LEU HG H 12.898 0.405 3.816 1.00 . A A . 20 LEU HG 1 1 11 3852 1 1 20 LEU N N 11.670 1.833 0.006 1.00 . A A . 20 LEU N 1 1 11 3853 1 1 20 LEU O O 13.532 -0.697 0.396 1.00 . A A . 20 LEU O 1 1 11 3854 1 1 21 ILE C C 10.267 -3.049 0.893 1.00 . A A . 21 ILE C 1 1 11 3855 1 1 21 ILE CA C 11.679 -2.603 1.389 1.00 . A A . 21 ILE CA 1 1 11 3856 1 1 21 ILE CB C 12.230 -3.323 2.684 1.00 . A A . 21 ILE CB 1 1 11 3857 1 1 21 ILE CD1 C 14.103 -3.266 4.529 1.00 . A A . 21 ILE CD1 1 1 11 3858 1 1 21 ILE CG1 C 13.649 -2.839 3.123 1.00 . A A . 21 ILE CG1 1 1 11 3859 1 1 21 ILE CG2 C 12.248 -4.867 2.510 1.00 . A A . 21 ILE CG2 1 1 11 3860 1 1 21 ILE H H 10.856 -0.638 2.020 1.00 . A A . 21 ILE H 1 1 11 3861 1 1 21 ILE HA H 12.376 -2.869 0.568 1.00 . A A . 21 ILE HA 1 1 11 3862 1 1 21 ILE HB H 11.532 -3.092 3.513 1.00 . A A . 21 ILE HB 1 1 11 3863 1 1 21 ILE HD11 H 14.229 -4.361 4.614 1.00 . A A . 21 ILE HD11 1 1 11 3864 1 1 21 ILE HD12 H 13.381 -2.950 5.305 1.00 . A A . 21 ILE HD12 1 1 11 3865 1 1 21 ILE HD13 H 15.077 -2.811 4.785 1.00 . A A . 21 ILE HD13 1 1 11 3866 1 1 21 ILE HG12 H 14.406 -3.152 2.379 1.00 . A A . 21 ILE HG12 1 1 11 3867 1 1 21 ILE HG13 H 13.688 -1.736 3.117 1.00 . A A . 21 ILE HG13 1 1 11 3868 1 1 21 ILE HG21 H 12.940 -5.184 1.708 1.00 . A A . 21 ILE HG21 1 1 11 3869 1 1 21 ILE HG22 H 12.556 -5.389 3.434 1.00 . A A . 21 ILE HG22 1 1 11 3870 1 1 21 ILE HG23 H 11.252 -5.271 2.257 1.00 . A A . 21 ILE HG23 1 1 11 3871 1 1 21 ILE N N 11.612 -1.115 1.516 1.00 . A A . 21 ILE N 1 1 11 3872 1 1 21 ILE O O 10.072 -3.270 -0.302 1.00 . A A . 21 ILE O 1 1 12 3873 1 1 1 TYR C C -17.063 -2.654 1.500 1.00 . A A . 1 TYR C 1 1 12 3874 1 1 1 TYR CA C -17.897 -1.512 2.142 1.00 . A A . 1 TYR CA 1 1 12 3875 1 1 1 TYR CB C -17.121 -0.850 3.322 1.00 . A A . 1 TYR CB 1 1 12 3876 1 1 1 TYR CD1 C -17.570 1.661 3.232 1.00 . A A . 1 TYR CD1 1 1 12 3877 1 1 1 TYR CD2 C -18.518 0.395 5.058 1.00 . A A . 1 TYR CD2 1 1 12 3878 1 1 1 TYR CE1 C -18.153 2.822 3.736 1.00 . A A . 1 TYR CE1 1 1 12 3879 1 1 1 TYR CE2 C -19.101 1.557 5.560 1.00 . A A . 1 TYR CE2 1 1 12 3880 1 1 1 TYR CG C -17.750 0.438 3.888 1.00 . A A . 1 TYR CG 1 1 12 3881 1 1 1 TYR CZ C -18.917 2.770 4.900 1.00 . A A . 1 TYR CZ 1 1 12 3882 1 1 1 TYR H1 H -19.258 -3.027 3.001 1.00 . A A . 1 TYR H1 1 1 12 3883 1 1 1 TYR HA H -18.070 -0.723 1.381 1.00 . A A . 1 TYR HA 1 1 12 3884 1 1 1 TYR HB2 H -16.976 -1.593 4.135 1.00 . A A . 1 TYR HB2 1 1 12 3885 1 1 1 TYR HB3 H -16.094 -0.605 2.978 1.00 . A A . 1 TYR HB3 1 1 12 3886 1 1 1 TYR HD1 H -16.984 1.716 2.326 1.00 . A A . 1 TYR HD1 1 1 12 3887 1 1 1 TYR HD2 H -18.675 -0.540 5.578 1.00 . A A . 1 TYR HD2 1 1 12 3888 1 1 1 TYR HE1 H -18.009 3.761 3.222 1.00 . A A . 1 TYR HE1 1 1 12 3889 1 1 1 TYR HE2 H -19.695 1.512 6.461 1.00 . A A . 1 TYR HE2 1 1 12 3890 1 1 1 TYR HH H -19.262 4.651 4.824 1.00 . A A . 1 TYR HH 1 1 12 3891 1 1 1 TYR N N -19.197 -2.097 2.573 1.00 . A A . 1 TYR N 1 1 12 3892 1 1 1 TYR O O -16.622 -3.580 2.193 1.00 . A A . 1 TYR O 1 1 12 3893 1 1 1 TYR OH O -19.490 3.914 5.396 1.00 . A A . 1 TYR OH 1 1 12 3894 1 1 2 ASP C C -15.321 -2.816 -1.722 1.00 . A A . 2 ASP C 1 1 12 3895 1 1 2 ASP CA C -16.066 -3.578 -0.590 1.00 . A A . 2 ASP CA 1 1 12 3896 1 1 2 ASP CB C -16.997 -4.712 -1.108 1.00 . A A . 2 ASP CB 1 1 12 3897 1 1 2 ASP CG C -16.260 -5.895 -1.752 1.00 . A A . 2 ASP CG 1 1 12 3898 1 1 2 ASP H H -17.276 -1.757 -0.283 1.00 . A A . 2 ASP H 1 1 12 3899 1 1 2 ASP HA H -15.321 -4.048 0.086 1.00 . A A . 2 ASP HA 1 1 12 3900 1 1 2 ASP HB2 H -17.610 -5.106 -0.275 1.00 . A A . 2 ASP HB2 1 1 12 3901 1 1 2 ASP HB3 H -17.730 -4.308 -1.833 1.00 . A A . 2 ASP HB3 1 1 12 3902 1 1 2 ASP HD2 H -15.336 -7.525 -1.225 1.00 . A A . 2 ASP HD2 1 1 12 3903 1 1 2 ASP N N -16.856 -2.575 0.171 1.00 . A A . 2 ASP N 1 1 12 3904 1 1 2 ASP O O -15.930 -2.418 -2.722 1.00 . A A . 2 ASP O 1 1 12 3905 1 1 2 ASP OD1 O -16.105 -6.016 -2.966 1.00 . A A . 2 ASP OD1 1 1 12 3906 1 1 2 ASP OD2 O -15.797 -6.788 -0.819 1.00 . A A . 2 ASP OD2 1 1 12 3907 1 1 3 ASN C C -11.673 -2.326 -2.125 1.00 . A A . 3 ASN C 1 1 12 3908 1 1 3 ASN CA C -13.126 -1.949 -2.526 1.00 . A A . 3 ASN CA 1 1 12 3909 1 1 3 ASN CB C -13.352 -0.416 -2.676 1.00 . A A . 3 ASN CB 1 1 12 3910 1 1 3 ASN CG C -13.084 0.501 -1.460 1.00 . A A . 3 ASN CG 1 1 12 3911 1 1 3 ASN H H -13.550 -3.131 -0.792 1.00 . A A . 3 ASN H 1 1 12 3912 1 1 3 ASN HA H -13.363 -2.393 -3.514 1.00 . A A . 3 ASN HA 1 1 12 3913 1 1 3 ASN HB2 H -12.760 -0.081 -3.548 1.00 . A A . 3 ASN HB2 1 1 12 3914 1 1 3 ASN HB3 H -14.400 -0.249 -2.984 1.00 . A A . 3 ASN HB3 1 1 12 3915 1 1 3 ASN HD21 H -11.636 1.456 -2.466 1.00 . A A . 3 ASN HD21 1 1 12 3916 1 1 3 ASN HD22 H -11.979 2.019 -0.754 1.00 . A A . 3 ASN HD22 1 1 12 3917 1 1 3 ASN N N -14.002 -2.613 -1.543 1.00 . A A . 3 ASN N 1 1 12 3918 1 1 3 ASN ND2 N -12.137 1.420 -1.572 1.00 . A A . 3 ASN ND2 1 1 12 3919 1 1 3 ASN O O -11.194 -1.983 -1.037 1.00 . A A . 3 ASN O 1 1 12 3920 1 1 3 ASN OD1 O -13.733 0.395 -0.419 1.00 . A A . 3 ASN OD1 1 1 12 3921 1 1 4 ILE C C -8.481 -2.339 -2.545 1.00 . A A . 4 ILE C 1 1 12 3922 1 1 4 ILE CA C -9.554 -3.454 -2.874 1.00 . A A . 4 ILE CA 1 1 12 3923 1 1 4 ILE CB C -9.164 -4.375 -4.089 1.00 . A A . 4 ILE CB 1 1 12 3924 1 1 4 ILE CD1 C -7.981 -6.282 -2.741 1.00 . A A . 4 ILE CD1 1 1 12 3925 1 1 4 ILE CG1 C -7.896 -5.256 -3.882 1.00 . A A . 4 ILE CG1 1 1 12 3926 1 1 4 ILE CG2 C -9.024 -3.595 -5.417 1.00 . A A . 4 ILE CG2 1 1 12 3927 1 1 4 ILE H H -11.587 -3.384 -3.786 1.00 . A A . 4 ILE H 1 1 12 3928 1 1 4 ILE HA H -9.568 -4.114 -1.997 1.00 . A A . 4 ILE HA 1 1 12 3929 1 1 4 ILE HB H -9.995 -5.092 -4.242 1.00 . A A . 4 ILE HB 1 1 12 3930 1 1 4 ILE HD11 H -8.852 -6.953 -2.858 1.00 . A A . 4 ILE HD11 1 1 12 3931 1 1 4 ILE HD12 H -7.079 -6.920 -2.712 1.00 . A A . 4 ILE HD12 1 1 12 3932 1 1 4 ILE HD13 H -8.063 -5.794 -1.754 1.00 . A A . 4 ILE HD13 1 1 12 3933 1 1 4 ILE HG12 H -7.687 -5.822 -4.810 1.00 . A A . 4 ILE HG12 1 1 12 3934 1 1 4 ILE HG13 H -7.005 -4.621 -3.733 1.00 . A A . 4 ILE HG13 1 1 12 3935 1 1 4 ILE HG21 H -8.860 -4.276 -6.271 1.00 . A A . 4 ILE HG21 1 1 12 3936 1 1 4 ILE HG22 H -8.178 -2.884 -5.386 1.00 . A A . 4 ILE HG22 1 1 12 3937 1 1 4 ILE HG23 H -9.936 -3.012 -5.639 1.00 . A A . 4 ILE HG23 1 1 12 3938 1 1 4 ILE N N -10.985 -3.026 -3.039 1.00 . A A . 4 ILE N 1 1 12 3939 1 1 4 ILE O O -7.417 -2.655 -2.006 1.00 . A A . 4 ILE O 1 1 12 3940 1 1 5 LEU C C -7.577 0.476 -1.134 1.00 . A A . 5 LEU C 1 1 12 3941 1 1 5 LEU CA C -7.894 0.107 -2.617 1.00 . A A . 5 LEU CA 1 1 12 3942 1 1 5 LEU CB C -8.479 1.357 -3.353 1.00 . A A . 5 LEU CB 1 1 12 3943 1 1 5 LEU CD1 C -9.367 2.507 -5.447 1.00 . A A . 5 LEU CD1 1 1 12 3944 1 1 5 LEU CD2 C -7.193 1.230 -5.595 1.00 . A A . 5 LEU CD2 1 1 12 3945 1 1 5 LEU CG C -8.573 1.301 -4.907 1.00 . A A . 5 LEU CG 1 1 12 3946 1 1 5 LEU H H -9.715 -0.934 -3.224 1.00 . A A . 5 LEU H 1 1 12 3947 1 1 5 LEU HA H -6.929 -0.163 -3.080 1.00 . A A . 5 LEU HA 1 1 12 3948 1 1 5 LEU HB2 H -9.488 1.570 -2.941 1.00 . A A . 5 LEU HB2 1 1 12 3949 1 1 5 LEU HB3 H -7.898 2.262 -3.084 1.00 . A A . 5 LEU HB3 1 1 12 3950 1 1 5 LEU HD11 H -9.488 2.459 -6.546 1.00 . A A . 5 LEU HD11 1 1 12 3951 1 1 5 LEU HD12 H -8.873 3.470 -5.214 1.00 . A A . 5 LEU HD12 1 1 12 3952 1 1 5 LEU HD13 H -10.385 2.549 -5.019 1.00 . A A . 5 LEU HD13 1 1 12 3953 1 1 5 LEU HD21 H -6.557 2.098 -5.340 1.00 . A A . 5 LEU HD21 1 1 12 3954 1 1 5 LEU HD22 H -7.287 1.203 -6.696 1.00 . A A . 5 LEU HD22 1 1 12 3955 1 1 5 LEU HD23 H -6.637 0.319 -5.308 1.00 . A A . 5 LEU HD23 1 1 12 3956 1 1 5 LEU HG H -9.138 0.394 -5.194 1.00 . A A . 5 LEU HG 1 1 12 3957 1 1 5 LEU N N -8.776 -1.061 -2.856 1.00 . A A . 5 LEU N 1 1 12 3958 1 1 5 LEU O O -6.552 1.126 -0.916 1.00 . A A . 5 LEU O 1 1 12 3959 1 1 6 VAL C C -6.807 -0.333 1.776 1.00 . A A . 6 VAL C 1 1 12 3960 1 1 6 VAL CA C -8.126 0.377 1.321 1.00 . A A . 6 VAL CA 1 1 12 3961 1 1 6 VAL CB C -9.361 0.116 2.264 1.00 . A A . 6 VAL CB 1 1 12 3962 1 1 6 VAL CG1 C -9.124 0.641 3.700 1.00 . A A . 6 VAL CG1 1 1 12 3963 1 1 6 VAL CG2 C -10.681 0.713 1.741 1.00 . A A . 6 VAL CG2 1 1 12 3964 1 1 6 VAL H H -9.221 -0.452 -0.421 1.00 . A A . 6 VAL H 1 1 12 3965 1 1 6 VAL HA H -7.917 1.460 1.384 1.00 . A A . 6 VAL HA 1 1 12 3966 1 1 6 VAL HB H -9.559 -0.966 2.346 1.00 . A A . 6 VAL HB 1 1 12 3967 1 1 6 VAL HG11 H -9.985 0.433 4.364 1.00 . A A . 6 VAL HG11 1 1 12 3968 1 1 6 VAL HG12 H -8.246 0.163 4.173 1.00 . A A . 6 VAL HG12 1 1 12 3969 1 1 6 VAL HG13 H -8.950 1.733 3.720 1.00 . A A . 6 VAL HG13 1 1 12 3970 1 1 6 VAL HG21 H -11.517 0.536 2.441 1.00 . A A . 6 VAL HG21 1 1 12 3971 1 1 6 VAL HG22 H -10.598 1.800 1.561 1.00 . A A . 6 VAL HG22 1 1 12 3972 1 1 6 VAL HG23 H -10.970 0.235 0.787 1.00 . A A . 6 VAL HG23 1 1 12 3973 1 1 6 VAL N N -8.403 0.094 -0.128 1.00 . A A . 6 VAL N 1 1 12 3974 1 1 6 VAL O O -5.920 0.336 2.315 1.00 . A A . 6 VAL O 1 1 12 3975 1 1 7 LYS C C -4.237 -2.132 0.934 1.00 . A A . 7 LYS C 1 1 12 3976 1 1 7 LYS CA C -5.450 -2.423 1.878 1.00 . A A . 7 LYS CA 1 1 12 3977 1 1 7 LYS CB C -5.725 -3.942 2.054 1.00 . A A . 7 LYS CB 1 1 12 3978 1 1 7 LYS CD C -6.386 -6.251 1.047 1.00 . A A . 7 LYS CD 1 1 12 3979 1 1 7 LYS CE C -5.075 -7.048 1.202 1.00 . A A . 7 LYS CE 1 1 12 3980 1 1 7 LYS CG C -6.189 -4.739 0.809 1.00 . A A . 7 LYS CG 1 1 12 3981 1 1 7 LYS H H -7.499 -2.063 1.072 1.00 . A A . 7 LYS H 1 1 12 3982 1 1 7 LYS HA H -5.130 -2.074 2.873 1.00 . A A . 7 LYS HA 1 1 12 3983 1 1 7 LYS HB2 H -4.805 -4.407 2.455 1.00 . A A . 7 LYS HB2 1 1 12 3984 1 1 7 LYS HB3 H -6.472 -4.077 2.859 1.00 . A A . 7 LYS HB3 1 1 12 3985 1 1 7 LYS HD2 H -7.039 -6.407 1.927 1.00 . A A . 7 LYS HD2 1 1 12 3986 1 1 7 LYS HD3 H -6.953 -6.661 0.190 1.00 . A A . 7 LYS HD3 1 1 12 3987 1 1 7 LYS HE2 H -4.425 -6.898 0.321 1.00 . A A . 7 LYS HE2 1 1 12 3988 1 1 7 LYS HE3 H -4.500 -6.691 2.076 1.00 . A A . 7 LYS HE3 1 1 12 3989 1 1 7 LYS HG2 H -7.148 -4.313 0.469 1.00 . A A . 7 LYS HG2 1 1 12 3990 1 1 7 LYS HG3 H -5.489 -4.590 -0.034 1.00 . A A . 7 LYS HG3 1 1 12 3991 1 1 7 LYS HZ2 H -5.866 -8.843 0.560 1.00 . A A . 7 LYS HZ2 1 1 12 3992 1 1 7 LYS HZ3 H -5.936 -8.649 2.181 1.00 . A A . 7 LYS HZ3 1 1 12 3993 1 1 7 LYS N N -6.683 -1.655 1.541 1.00 . A A . 7 LYS N 1 1 12 3994 1 1 7 LYS NZ N -5.336 -8.489 1.364 1.00 . A A . 7 LYS NZ 1 1 12 3995 1 1 7 LYS O O -3.112 -2.059 1.434 1.00 . A A . 7 LYS O 1 1 12 3996 1 1 8 MET C C -2.727 -0.194 -1.233 1.00 . A A . 8 MET C 1 1 12 3997 1 1 8 MET CA C -3.357 -1.620 -1.351 1.00 . A A . 8 MET CA 1 1 12 3998 1 1 8 MET CB C -3.752 -1.965 -2.801 1.00 . A A . 8 MET CB 1 1 12 3999 1 1 8 MET CE C -3.844 -6.167 -2.691 1.00 . A A . 8 MET CE 1 1 12 4000 1 1 8 MET CG C -4.129 -3.431 -3.107 1.00 . A A . 8 MET CG 1 1 12 4001 1 1 8 MET H H -5.419 -1.975 -0.695 1.00 . A A . 8 MET H 1 1 12 4002 1 1 8 MET HA H -2.547 -2.314 -1.146 1.00 . A A . 8 MET HA 1 1 12 4003 1 1 8 MET HB2 H -4.570 -1.310 -3.106 1.00 . A A . 8 MET HB2 1 1 12 4004 1 1 8 MET HB3 H -2.907 -1.701 -3.467 1.00 . A A . 8 MET HB3 1 1 12 4005 1 1 8 MET HE1 H -3.823 -6.286 -3.790 1.00 . A A . 8 MET HE1 1 1 12 4006 1 1 8 MET HE2 H -3.296 -7.017 -2.244 1.00 . A A . 8 MET HE2 1 1 12 4007 1 1 8 MET HE3 H -4.895 -6.224 -2.354 1.00 . A A . 8 MET HE3 1 1 12 4008 1 1 8 MET HG2 H -5.200 -3.633 -2.904 1.00 . A A . 8 MET HG2 1 1 12 4009 1 1 8 MET HG3 H -3.983 -3.609 -4.181 1.00 . A A . 8 MET HG3 1 1 12 4010 1 1 8 MET N N -4.445 -1.944 -0.390 1.00 . A A . 8 MET N 1 1 12 4011 1 1 8 MET O O -1.599 -0.019 -1.704 1.00 . A A . 8 MET O 1 1 12 4012 1 1 8 MET SD S -3.097 -4.603 -2.194 1.00 . A A . 8 MET SD 1 1 12 4013 1 1 9 PHE C C -1.678 2.161 0.609 1.00 . A A . 9 PHE C 1 1 12 4014 1 1 9 PHE CA C -2.843 2.178 -0.432 1.00 . A A . 9 PHE CA 1 1 12 4015 1 1 9 PHE CB C -3.999 3.164 -0.094 1.00 . A A . 9 PHE CB 1 1 12 4016 1 1 9 PHE CD1 C -3.461 5.425 -1.150 1.00 . A A . 9 PHE CD1 1 1 12 4017 1 1 9 PHE CD2 C -3.344 5.228 1.256 1.00 . A A . 9 PHE CD2 1 1 12 4018 1 1 9 PHE CE1 C -3.084 6.763 -1.057 1.00 . A A . 9 PHE CE1 1 1 12 4019 1 1 9 PHE CE2 C -2.966 6.565 1.345 1.00 . A A . 9 PHE CE2 1 1 12 4020 1 1 9 PHE CG C -3.593 4.647 0.006 1.00 . A A . 9 PHE CG 1 1 12 4021 1 1 9 PHE CZ C -2.837 7.332 0.190 1.00 . A A . 9 PHE CZ 1 1 12 4022 1 1 9 PHE H H -4.293 0.539 -0.191 1.00 . A A . 9 PHE H 1 1 12 4023 1 1 9 PHE HA H -2.417 2.505 -1.396 1.00 . A A . 9 PHE HA 1 1 12 4024 1 1 9 PHE HB2 H -4.790 3.077 -0.865 1.00 . A A . 9 PHE HB2 1 1 12 4025 1 1 9 PHE HB3 H -4.503 2.846 0.840 1.00 . A A . 9 PHE HB3 1 1 12 4026 1 1 9 PHE HD1 H -3.646 4.995 -2.125 1.00 . A A . 9 PHE HD1 1 1 12 4027 1 1 9 PHE HD2 H -3.436 4.644 2.161 1.00 . A A . 9 PHE HD2 1 1 12 4028 1 1 9 PHE HE1 H -2.983 7.359 -1.952 1.00 . A A . 9 PHE HE1 1 1 12 4029 1 1 9 PHE HE2 H -2.773 7.008 2.312 1.00 . A A . 9 PHE HE2 1 1 12 4030 1 1 9 PHE HZ H -2.545 8.369 0.261 1.00 . A A . 9 PHE HZ 1 1 12 4031 1 1 9 PHE N N -3.404 0.810 -0.626 1.00 . A A . 9 PHE N 1 1 12 4032 1 1 9 PHE O O -0.567 2.580 0.276 1.00 . A A . 9 PHE O 1 1 12 4033 1 1 10 LYS C C 0.203 0.472 2.642 1.00 . A A . 10 LYS C 1 1 12 4034 1 1 10 LYS CA C -0.903 1.541 2.910 1.00 . A A . 10 LYS CA 1 1 12 4035 1 1 10 LYS CB C -1.545 1.285 4.319 1.00 . A A . 10 LYS CB 1 1 12 4036 1 1 10 LYS CD C -3.185 2.020 6.159 1.00 . A A . 10 LYS CD 1 1 12 4037 1 1 10 LYS CE C -4.091 3.142 6.698 1.00 . A A . 10 LYS CE 1 1 12 4038 1 1 10 LYS CG C -2.466 2.410 4.853 1.00 . A A . 10 LYS CG 1 1 12 4039 1 1 10 LYS H H -2.931 1.424 1.948 1.00 . A A . 10 LYS H 1 1 12 4040 1 1 10 LYS HA H -0.355 2.508 2.888 1.00 . A A . 10 LYS HA 1 1 12 4041 1 1 10 LYS HB2 H -2.106 0.328 4.300 1.00 . A A . 10 LYS HB2 1 1 12 4042 1 1 10 LYS HB3 H -0.771 1.089 5.097 1.00 . A A . 10 LYS HB3 1 1 12 4043 1 1 10 LYS HD2 H -3.786 1.106 5.985 1.00 . A A . 10 LYS HD2 1 1 12 4044 1 1 10 LYS HD3 H -2.432 1.747 6.924 1.00 . A A . 10 LYS HD3 1 1 12 4045 1 1 10 LYS HE2 H -3.501 4.057 6.889 1.00 . A A . 10 LYS HE2 1 1 12 4046 1 1 10 LYS HE3 H -4.855 3.416 5.946 1.00 . A A . 10 LYS HE3 1 1 12 4047 1 1 10 LYS HG2 H -1.881 3.333 5.026 1.00 . A A . 10 LYS HG2 1 1 12 4048 1 1 10 LYS HG3 H -3.223 2.671 4.090 1.00 . A A . 10 LYS HG3 1 1 12 4049 1 1 10 LYS HZ2 H -5.341 3.511 8.299 1.00 . A A . 10 LYS HZ2 1 1 12 4050 1 1 10 LYS HZ3 H -4.074 2.548 8.675 1.00 . A A . 10 LYS HZ3 1 1 12 4051 1 1 10 LYS N N -1.938 1.662 1.835 1.00 . A A . 10 LYS N 1 1 12 4052 1 1 10 LYS NZ N -4.768 2.738 7.943 1.00 . A A . 10 LYS NZ 1 1 12 4053 1 1 10 LYS O O 1.349 0.705 3.040 1.00 . A A . 10 LYS O 1 1 12 4054 1 1 11 THR C C 1.960 -1.199 0.639 1.00 . A A . 11 THR C 1 1 12 4055 1 1 11 THR CA C 0.884 -1.727 1.644 1.00 . A A . 11 THR CA 1 1 12 4056 1 1 11 THR CB C 0.144 -3.021 1.180 1.00 . A A . 11 THR CB 1 1 12 4057 1 1 11 THR CG2 C 1.069 -4.204 0.853 1.00 . A A . 11 THR CG2 1 1 12 4058 1 1 11 THR H H -1.082 -0.768 1.696 1.00 . A A . 11 THR H 1 1 12 4059 1 1 11 THR HA H 1.399 -1.975 2.580 1.00 . A A . 11 THR HA 1 1 12 4060 1 1 11 THR HB H -0.456 -2.797 0.277 1.00 . A A . 11 THR HB 1 1 12 4061 1 1 11 THR HG1 H -0.192 -3.679 2.959 1.00 . A A . 11 THR HG1 1 1 12 4062 1 1 11 THR HG21 H 1.745 -3.971 0.011 1.00 . A A . 11 THR HG21 1 1 12 4063 1 1 11 THR HG22 H 1.696 -4.480 1.721 1.00 . A A . 11 THR HG22 1 1 12 4064 1 1 11 THR HG23 H 0.485 -5.097 0.565 1.00 . A A . 11 THR HG23 1 1 12 4065 1 1 11 THR N N -0.109 -0.673 1.990 1.00 . A A . 11 THR N 1 1 12 4066 1 1 11 THR O O 3.156 -1.285 0.924 1.00 . A A . 11 THR O 1 1 12 4067 1 1 11 THR OG1 O -0.743 -3.472 2.201 1.00 . A A . 11 THR OG1 1 1 12 4068 1 1 12 ASN C C 3.199 1.209 -1.057 1.00 . A A . 12 ASN C 1 1 12 4069 1 1 12 ASN CA C 2.393 -0.046 -1.542 1.00 . A A . 12 ASN CA 1 1 12 4070 1 1 12 ASN CB C 1.511 0.246 -2.795 1.00 . A A . 12 ASN CB 1 1 12 4071 1 1 12 ASN CG C 2.303 0.528 -4.087 1.00 . A A . 12 ASN CG 1 1 12 4072 1 1 12 ASN H H 0.504 -0.703 -0.625 1.00 . A A . 12 ASN H 1 1 12 4073 1 1 12 ASN HA H 3.125 -0.836 -1.803 1.00 . A A . 12 ASN HA 1 1 12 4074 1 1 12 ASN HB2 H 0.849 -0.617 -3.016 1.00 . A A . 12 ASN HB2 1 1 12 4075 1 1 12 ASN HB3 H 0.792 1.068 -2.583 1.00 . A A . 12 ASN HB3 1 1 12 4076 1 1 12 ASN HD21 H 1.911 2.490 -3.939 1.00 . A A . 12 ASN HD21 1 1 12 4077 1 1 12 ASN HD22 H 2.918 1.941 -5.372 1.00 . A A . 12 ASN HD22 1 1 12 4078 1 1 12 ASN N N 1.515 -0.642 -0.505 1.00 . A A . 12 ASN N 1 1 12 4079 1 1 12 ASN ND2 N 2.386 1.781 -4.509 1.00 . A A . 12 ASN ND2 1 1 12 4080 1 1 12 ASN O O 4.381 1.316 -1.399 1.00 . A A . 12 ASN O 1 1 12 4081 1 1 12 ASN OD1 O 2.845 -0.381 -4.715 1.00 . A A . 12 ASN OD1 1 1 12 4082 1 1 13 GLU C C 4.444 2.985 1.240 1.00 . A A . 13 GLU C 1 1 12 4083 1 1 13 GLU CA C 3.270 3.334 0.276 1.00 . A A . 13 GLU CA 1 1 12 4084 1 1 13 GLU CB C 2.208 4.292 0.892 1.00 . A A . 13 GLU CB 1 1 12 4085 1 1 13 GLU CD C 3.276 6.578 0.294 1.00 . A A . 13 GLU CD 1 1 12 4086 1 1 13 GLU CG C 2.712 5.666 1.391 1.00 . A A . 13 GLU CG 1 1 12 4087 1 1 13 GLU H H 1.624 1.928 0.004 1.00 . A A . 13 GLU H 1 1 12 4088 1 1 13 GLU HA H 3.697 3.851 -0.592 1.00 . A A . 13 GLU HA 1 1 12 4089 1 1 13 GLU HB2 H 1.403 4.475 0.154 1.00 . A A . 13 GLU HB2 1 1 12 4090 1 1 13 GLU HB3 H 1.704 3.783 1.737 1.00 . A A . 13 GLU HB3 1 1 12 4091 1 1 13 GLU HE2 H 4.988 7.044 -0.507 1.00 . A A . 13 GLU HE2 1 1 12 4092 1 1 13 GLU HG2 H 1.874 6.195 1.882 1.00 . A A . 13 GLU HG2 1 1 12 4093 1 1 13 GLU HG3 H 3.464 5.529 2.191 1.00 . A A . 13 GLU HG3 1 1 12 4094 1 1 13 GLU N N 2.587 2.134 -0.274 1.00 . A A . 13 GLU N 1 1 12 4095 1 1 13 GLU O O 5.567 3.433 1.005 1.00 . A A . 13 GLU O 1 1 12 4096 1 1 13 GLU OE1 O 2.576 7.315 -0.400 1.00 . A A . 13 GLU OE1 1 1 12 4097 1 1 13 GLU OE2 O 4.639 6.472 0.181 1.00 . A A . 13 GLU OE2 1 1 12 4098 1 1 14 ASN C C 6.393 0.916 2.630 1.00 . A A . 14 ASN C 1 1 12 4099 1 1 14 ASN CA C 5.202 1.713 3.262 1.00 . A A . 14 ASN CA 1 1 12 4100 1 1 14 ASN CB C 4.480 0.939 4.402 1.00 . A A . 14 ASN CB 1 1 12 4101 1 1 14 ASN CG C 5.338 0.679 5.658 1.00 . A A . 14 ASN CG 1 1 12 4102 1 1 14 ASN H H 3.193 1.914 2.353 1.00 . A A . 14 ASN H 1 1 12 4103 1 1 14 ASN HA H 5.618 2.630 3.703 1.00 . A A . 14 ASN HA 1 1 12 4104 1 1 14 ASN HB2 H 3.597 1.513 4.743 1.00 . A A . 14 ASN HB2 1 1 12 4105 1 1 14 ASN HB3 H 4.056 -0.007 4.010 1.00 . A A . 14 ASN HB3 1 1 12 4106 1 1 14 ASN HD21 H 5.552 -1.250 5.153 1.00 . A A . 14 ASN HD21 1 1 12 4107 1 1 14 ASN HD22 H 6.367 -0.692 6.699 1.00 . A A . 14 ASN HD22 1 1 12 4108 1 1 14 ASN N N 4.178 2.175 2.283 1.00 . A A . 14 ASN N 1 1 12 4109 1 1 14 ASN ND2 N 5.799 -0.547 5.858 1.00 . A A . 14 ASN ND2 1 1 12 4110 1 1 14 ASN O O 7.550 1.191 2.959 1.00 . A A . 14 ASN O 1 1 12 4111 1 1 14 ASN OD1 O 5.592 1.581 6.456 1.00 . A A . 14 ASN OD1 1 1 12 4112 1 1 15 ASN C C 8.038 -0.042 0.046 1.00 . A A . 15 ASN C 1 1 12 4113 1 1 15 ASN CA C 7.107 -0.855 1.008 1.00 . A A . 15 ASN CA 1 1 12 4114 1 1 15 ASN CB C 6.362 -2.014 0.273 1.00 . A A . 15 ASN CB 1 1 12 4115 1 1 15 ASN CG C 7.270 -3.137 -0.270 1.00 . A A . 15 ASN CG 1 1 12 4116 1 1 15 ASN H H 5.098 -0.157 1.558 1.00 . A A . 15 ASN H 1 1 12 4117 1 1 15 ASN HA H 7.746 -1.293 1.796 1.00 . A A . 15 ASN HA 1 1 12 4118 1 1 15 ASN HB2 H 5.594 -2.473 0.930 1.00 . A A . 15 ASN HB2 1 1 12 4119 1 1 15 ASN HB3 H 5.765 -1.610 -0.572 1.00 . A A . 15 ASN HB3 1 1 12 4120 1 1 15 ASN HD21 H 7.189 -4.098 1.489 1.00 . A A . 15 ASN HD21 1 1 12 4121 1 1 15 ASN HD22 H 8.186 -4.870 0.156 1.00 . A A . 15 ASN HD22 1 1 12 4122 1 1 15 ASN N N 6.095 -0.044 1.732 1.00 . A A . 15 ASN N 1 1 12 4123 1 1 15 ASN ND2 N 7.580 -4.137 0.542 1.00 . A A . 15 ASN ND2 1 1 12 4124 1 1 15 ASN O O 9.223 -0.376 -0.045 1.00 . A A . 15 ASN O 1 1 12 4125 1 1 15 ASN OD1 O 7.699 -3.109 -1.423 1.00 . A A . 15 ASN OD1 1 1 12 4126 1 1 16 ASP C C 8.468 3.275 -0.948 1.00 . A A . 16 ASP C 1 1 12 4127 1 1 16 ASP CA C 8.288 1.849 -1.573 1.00 . A A . 16 ASP CA 1 1 12 4128 1 1 16 ASP CB C 7.635 1.811 -2.983 1.00 . A A . 16 ASP CB 1 1 12 4129 1 1 16 ASP CG C 8.525 2.365 -4.104 1.00 . A A . 16 ASP CG 1 1 12 4130 1 1 16 ASP H H 6.645 1.336 -0.272 1.00 . A A . 16 ASP H 1 1 12 4131 1 1 16 ASP HA H 9.287 1.414 -1.672 1.00 . A A . 16 ASP HA 1 1 12 4132 1 1 16 ASP HB2 H 7.364 0.772 -3.257 1.00 . A A . 16 ASP HB2 1 1 12 4133 1 1 16 ASP HB3 H 6.674 2.360 -2.976 1.00 . A A . 16 ASP HB3 1 1 12 4134 1 1 16 ASP HD2 H 9.300 0.580 -4.140 1.00 . A A . 16 ASP HD2 1 1 12 4135 1 1 16 ASP N N 7.507 0.977 -0.668 1.00 . A A . 16 ASP N 1 1 12 4136 1 1 16 ASP O O 8.087 4.296 -1.529 1.00 . A A . 16 ASP O 1 1 12 4137 1 1 16 ASP OD1 O 8.455 3.523 -4.515 1.00 . A A . 16 ASP OD1 1 1 12 4138 1 1 16 ASP OD2 O 9.397 1.424 -4.588 1.00 . A A . 16 ASP OD2 1 1 12 4139 1 1 17 LYS C C 10.779 4.287 1.733 1.00 . A A . 17 LYS C 1 1 12 4140 1 1 17 LYS CA C 9.423 4.532 1.007 1.00 . A A . 17 LYS CA 1 1 12 4141 1 1 17 LYS CB C 8.213 4.969 1.886 1.00 . A A . 17 LYS CB 1 1 12 4142 1 1 17 LYS CD C 9.063 5.936 4.127 1.00 . A A . 17 LYS CD 1 1 12 4143 1 1 17 LYS CE C 9.026 7.139 5.086 1.00 . A A . 17 LYS CE 1 1 12 4144 1 1 17 LYS CG C 8.380 6.221 2.775 1.00 . A A . 17 LYS CG 1 1 12 4145 1 1 17 LYS H H 9.137 2.418 0.725 1.00 . A A . 17 LYS H 1 1 12 4146 1 1 17 LYS HA H 9.607 5.318 0.273 1.00 . A A . 17 LYS HA 1 1 12 4147 1 1 17 LYS HB2 H 7.375 5.186 1.198 1.00 . A A . 17 LYS HB2 1 1 12 4148 1 1 17 LYS HB3 H 7.858 4.125 2.510 1.00 . A A . 17 LYS HB3 1 1 12 4149 1 1 17 LYS HD2 H 8.580 5.055 4.593 1.00 . A A . 17 LYS HD2 1 1 12 4150 1 1 17 LYS HD3 H 10.112 5.638 3.948 1.00 . A A . 17 LYS HD3 1 1 12 4151 1 1 17 LYS HE2 H 9.519 8.016 4.625 1.00 . A A . 17 LYS HE2 1 1 12 4152 1 1 17 LYS HE3 H 7.982 7.440 5.288 1.00 . A A . 17 LYS HE3 1 1 12 4153 1 1 17 LYS HG2 H 8.918 7.016 2.224 1.00 . A A . 17 LYS HG2 1 1 12 4154 1 1 17 LYS HG3 H 7.372 6.633 2.971 1.00 . A A . 17 LYS HG3 1 1 12 4155 1 1 17 LYS HZ2 H 9.684 7.655 6.973 1.00 . A A . 17 LYS HZ2 1 1 12 4156 1 1 17 LYS HZ3 H 10.683 6.616 6.201 1.00 . A A . 17 LYS HZ3 1 1 12 4157 1 1 17 LYS N N 9.096 3.311 0.242 1.00 . A A . 17 LYS N 1 1 12 4158 1 1 17 LYS NZ N 9.693 6.830 6.363 1.00 . A A . 17 LYS NZ 1 1 12 4159 1 1 17 LYS O O 11.731 5.037 1.496 1.00 . A A . 17 LYS O 1 1 12 4160 1 1 18 SER C C 13.164 2.202 2.402 1.00 . A A . 18 SER C 1 1 12 4161 1 1 18 SER CA C 12.125 2.908 3.331 1.00 . A A . 18 SER CA 1 1 12 4162 1 1 18 SER CB C 11.808 2.084 4.617 1.00 . A A . 18 SER CB 1 1 12 4163 1 1 18 SER H H 9.983 2.748 2.693 1.00 . A A . 18 SER H 1 1 12 4164 1 1 18 SER HA H 12.615 3.855 3.630 1.00 . A A . 18 SER HA 1 1 12 4165 1 1 18 SER HB2 H 10.988 2.500 5.246 1.00 . A A . 18 SER HB2 1 1 12 4166 1 1 18 SER HB3 H 11.466 1.065 4.350 1.00 . A A . 18 SER HB3 1 1 12 4167 1 1 18 SER HG H 13.211 2.871 5.670 1.00 . A A . 18 SER HG 1 1 12 4168 1 1 18 SER N N 10.865 3.266 2.614 1.00 . A A . 18 SER N 1 1 12 4169 1 1 18 SER O O 14.292 2.689 2.279 1.00 . A A . 18 SER O 1 1 12 4170 1 1 18 SER OG O 12.973 1.974 5.426 1.00 . A A . 18 SER OG 1 1 12 4171 1 1 19 GLU C C 12.797 0.171 -0.476 1.00 . A A . 19 GLU C 1 1 12 4172 1 1 19 GLU CA C 13.635 0.324 0.825 1.00 . A A . 19 GLU CA 1 1 12 4173 1 1 19 GLU CB C 14.060 -1.017 1.487 1.00 . A A . 19 GLU CB 1 1 12 4174 1 1 19 GLU CD C 15.437 -3.171 1.289 1.00 . A A . 19 GLU CD 1 1 12 4175 1 1 19 GLU CG C 14.955 -1.897 0.594 1.00 . A A . 19 GLU CG 1 1 12 4176 1 1 19 GLU H H 11.806 0.825 1.892 1.00 . A A . 19 GLU H 1 1 12 4177 1 1 19 GLU HA H 14.561 0.895 0.601 1.00 . A A . 19 GLU HA 1 1 12 4178 1 1 19 GLU HB2 H 14.602 -0.799 2.429 1.00 . A A . 19 GLU HB2 1 1 12 4179 1 1 19 GLU HB3 H 13.169 -1.603 1.789 1.00 . A A . 19 GLU HB3 1 1 12 4180 1 1 19 GLU HE2 H 16.893 -3.772 2.433 1.00 . A A . 19 GLU HE2 1 1 12 4181 1 1 19 GLU HG2 H 14.392 -2.181 -0.315 1.00 . A A . 19 GLU HG2 1 1 12 4182 1 1 19 GLU HG3 H 15.820 -1.307 0.242 1.00 . A A . 19 GLU HG3 1 1 12 4183 1 1 19 GLU N N 12.785 1.076 1.769 1.00 . A A . 19 GLU N 1 1 12 4184 1 1 19 GLU O O 12.036 -0.789 -0.643 1.00 . A A . 19 GLU O 1 1 12 4185 1 1 19 GLU OE1 O 14.847 -4.249 1.213 1.00 . A A . 19 GLU OE1 1 1 12 4186 1 1 19 GLU OE2 O 16.593 -2.970 1.999 1.00 . A A . 19 GLU OE2 1 1 12 4187 1 1 20 LEU C C 12.632 -0.037 -3.649 1.00 . A A . 20 LEU C 1 1 12 4188 1 1 20 LEU CA C 12.280 1.163 -2.713 1.00 . A A . 20 LEU CA 1 1 12 4189 1 1 20 LEU CB C 12.504 2.532 -3.426 1.00 . A A . 20 LEU CB 1 1 12 4190 1 1 20 LEU CD1 C 12.738 4.381 -1.604 1.00 . A A . 20 LEU CD1 1 1 12 4191 1 1 20 LEU CD2 C 11.707 4.923 -3.829 1.00 . A A . 20 LEU CD2 1 1 12 4192 1 1 20 LEU CG C 11.904 3.815 -2.773 1.00 . A A . 20 LEU CG 1 1 12 4193 1 1 20 LEU H H 13.433 1.974 -1.050 1.00 . A A . 20 LEU H 1 1 12 4194 1 1 20 LEU HA H 11.198 1.089 -2.510 1.00 . A A . 20 LEU HA 1 1 12 4195 1 1 20 LEU HB2 H 13.573 2.695 -3.672 1.00 . A A . 20 LEU HB2 1 1 12 4196 1 1 20 LEU HB3 H 12.024 2.418 -4.403 1.00 . A A . 20 LEU HB3 1 1 12 4197 1 1 20 LEU HD11 H 12.777 3.692 -0.743 1.00 . A A . 20 LEU HD11 1 1 12 4198 1 1 20 LEU HD12 H 13.782 4.595 -1.902 1.00 . A A . 20 LEU HD12 1 1 12 4199 1 1 20 LEU HD13 H 12.309 5.324 -1.216 1.00 . A A . 20 LEU HD13 1 1 12 4200 1 1 20 LEU HD21 H 12.665 5.249 -4.276 1.00 . A A . 20 LEU HD21 1 1 12 4201 1 1 20 LEU HD22 H 11.059 4.585 -4.659 1.00 . A A . 20 LEU HD22 1 1 12 4202 1 1 20 LEU HD23 H 11.222 5.819 -3.399 1.00 . A A . 20 LEU HD23 1 1 12 4203 1 1 20 LEU HG H 10.901 3.566 -2.385 1.00 . A A . 20 LEU HG 1 1 12 4204 1 1 20 LEU N N 12.974 1.132 -1.401 1.00 . A A . 20 LEU N 1 1 12 4205 1 1 20 LEU O O 11.721 -0.733 -4.107 1.00 . A A . 20 LEU O 1 1 12 4206 1 1 21 ILE C C 14.914 -2.504 -3.757 1.00 . A A . 21 ILE C 1 1 12 4207 1 1 21 ILE CA C 14.424 -1.400 -4.751 1.00 . A A . 21 ILE CA 1 1 12 4208 1 1 21 ILE CB C 15.454 -0.947 -5.857 1.00 . A A . 21 ILE CB 1 1 12 4209 1 1 21 ILE CD1 C 15.917 0.861 -7.709 1.00 . A A . 21 ILE CD1 1 1 12 4210 1 1 21 ILE CG1 C 14.888 0.154 -6.811 1.00 . A A . 21 ILE CG1 1 1 12 4211 1 1 21 ILE CG2 C 15.952 -2.154 -6.697 1.00 . A A . 21 ILE CG2 1 1 12 4212 1 1 21 ILE H H 14.559 0.376 -3.414 1.00 . A A . 21 ILE H 1 1 12 4213 1 1 21 ILE HA H 13.571 -1.841 -5.306 1.00 . A A . 21 ILE HA 1 1 12 4214 1 1 21 ILE HB H 16.340 -0.523 -5.346 1.00 . A A . 21 ILE HB 1 1 12 4215 1 1 21 ILE HD11 H 15.444 1.675 -8.288 1.00 . A A . 21 ILE HD11 1 1 12 4216 1 1 21 ILE HD12 H 16.376 0.172 -8.441 1.00 . A A . 21 ILE HD12 1 1 12 4217 1 1 21 ILE HD13 H 16.733 1.314 -7.116 1.00 . A A . 21 ILE HD13 1 1 12 4218 1 1 21 ILE HG12 H 14.079 -0.265 -7.439 1.00 . A A . 21 ILE HG12 1 1 12 4219 1 1 21 ILE HG13 H 14.399 0.949 -6.218 1.00 . A A . 21 ILE HG13 1 1 12 4220 1 1 21 ILE HG21 H 16.726 -1.864 -7.430 1.00 . A A . 21 ILE HG21 1 1 12 4221 1 1 21 ILE HG22 H 15.130 -2.634 -7.260 1.00 . A A . 21 ILE HG22 1 1 12 4222 1 1 21 ILE HG23 H 16.414 -2.937 -6.067 1.00 . A A . 21 ILE HG23 1 1 12 4223 1 1 21 ILE N N 13.934 -0.265 -3.912 1.00 . A A . 21 ILE N 1 1 12 4224 1 1 21 ILE O O 14.230 -3.508 -3.562 1.00 . A A . 21 ILE O 1 1 13 4225 1 1 1 TYR C C -16.699 -3.943 1.351 1.00 . A A . 1 TYR C 1 1 13 4226 1 1 1 TYR CA C -17.540 -3.373 2.525 1.00 . A A . 1 TYR CA 1 1 13 4227 1 1 1 TYR CB C -16.710 -3.342 3.844 1.00 . A A . 1 TYR CB 1 1 13 4228 1 1 1 TYR CD1 C -17.251 -1.185 5.095 1.00 . A A . 1 TYR CD1 1 1 13 4229 1 1 1 TYR CD2 C -18.073 -3.268 6.000 1.00 . A A . 1 TYR CD2 1 1 13 4230 1 1 1 TYR CE1 C -17.856 -0.493 6.142 1.00 . A A . 1 TYR CE1 1 1 13 4231 1 1 1 TYR CE2 C -18.678 -2.574 7.046 1.00 . A A . 1 TYR CE2 1 1 13 4232 1 1 1 TYR CG C -17.358 -2.578 5.015 1.00 . A A . 1 TYR CG 1 1 13 4233 1 1 1 TYR CZ C -18.569 -1.187 7.118 1.00 . A A . 1 TYR CZ 1 1 13 4234 1 1 1 TYR H1 H -18.685 -5.248 2.681 1.00 . A A . 1 TYR H1 1 1 13 4235 1 1 1 TYR HA H -17.811 -2.324 2.291 1.00 . A A . 1 TYR HA 1 1 13 4236 1 1 1 TYR HB2 H -16.464 -4.380 4.156 1.00 . A A . 1 TYR HB2 1 1 13 4237 1 1 1 TYR HB3 H -15.725 -2.872 3.633 1.00 . A A . 1 TYR HB3 1 1 13 4238 1 1 1 TYR HD1 H -16.706 -0.632 4.343 1.00 . A A . 1 TYR HD1 1 1 13 4239 1 1 1 TYR HD2 H -18.173 -4.344 5.955 1.00 . A A . 1 TYR HD2 1 1 13 4240 1 1 1 TYR HE1 H -17.770 0.583 6.194 1.00 . A A . 1 TYR HE1 1 1 13 4241 1 1 1 TYR HE2 H -19.233 -3.115 7.799 1.00 . A A . 1 TYR HE2 1 1 13 4242 1 1 1 TYR HH H -19.610 -1.132 8.722 1.00 . A A . 1 TYR HH 1 1 13 4243 1 1 1 TYR N N -18.757 -4.225 2.655 1.00 . A A . 1 TYR N 1 1 13 4244 1 1 1 TYR O O -16.137 -5.040 1.452 1.00 . A A . 1 TYR O 1 1 13 4245 1 1 1 TYR OH O -19.165 -0.504 8.148 1.00 . A A . 1 TYR OH 1 1 13 4246 1 1 2 ASP C C -15.248 -2.288 -1.582 1.00 . A A . 2 ASP C 1 1 13 4247 1 1 2 ASP CA C -15.850 -3.583 -0.965 1.00 . A A . 2 ASP CA 1 1 13 4248 1 1 2 ASP CB C -16.760 -4.376 -1.947 1.00 . A A . 2 ASP CB 1 1 13 4249 1 1 2 ASP CG C -16.020 -4.996 -3.140 1.00 . A A . 2 ASP CG 1 1 13 4250 1 1 2 ASP H H -17.138 -2.298 0.286 1.00 . A A . 2 ASP H 1 1 13 4251 1 1 2 ASP HA H -15.024 -4.261 -0.663 1.00 . A A . 2 ASP HA 1 1 13 4252 1 1 2 ASP HB2 H -17.276 -5.192 -1.405 1.00 . A A . 2 ASP HB2 1 1 13 4253 1 1 2 ASP HB3 H -17.575 -3.729 -2.326 1.00 . A A . 2 ASP HB3 1 1 13 4254 1 1 2 ASP HD2 H -14.974 -6.580 -3.571 1.00 . A A . 2 ASP HD2 1 1 13 4255 1 1 2 ASP N N -16.625 -3.185 0.239 1.00 . A A . 2 ASP N 1 1 13 4256 1 1 2 ASP O O -15.961 -1.497 -2.210 1.00 . A A . 2 ASP O 1 1 13 4257 1 1 2 ASP OD1 O -15.960 -4.466 -4.249 1.00 . A A . 2 ASP OD1 1 1 13 4258 1 1 2 ASP OD2 O -15.436 -6.196 -2.823 1.00 . A A . 2 ASP OD2 1 1 13 4259 1 1 3 ASN C C -11.702 -1.382 -1.905 1.00 . A A . 3 ASN C 1 1 13 4260 1 1 3 ASN CA C -13.187 -0.934 -1.929 1.00 . A A . 3 ASN CA 1 1 13 4261 1 1 3 ASN CB C -13.450 0.381 -1.136 1.00 . A A . 3 ASN CB 1 1 13 4262 1 1 3 ASN CG C -12.768 1.637 -1.713 1.00 . A A . 3 ASN CG 1 1 13 4263 1 1 3 ASN H H -13.394 -2.862 -1.000 1.00 . A A . 3 ASN H 1 1 13 4264 1 1 3 ASN HA H -13.521 -0.785 -2.973 1.00 . A A . 3 ASN HA 1 1 13 4265 1 1 3 ASN HB2 H -14.540 0.567 -1.068 1.00 . A A . 3 ASN HB2 1 1 13 4266 1 1 3 ASN HB3 H -13.132 0.256 -0.083 1.00 . A A . 3 ASN HB3 1 1 13 4267 1 1 3 ASN HD21 H -14.241 1.862 -3.056 1.00 . A A . 3 ASN HD21 1 1 13 4268 1 1 3 ASN HD22 H -12.883 3.095 -3.086 1.00 . A A . 3 ASN HD22 1 1 13 4269 1 1 3 ASN N N -13.932 -2.083 -1.381 1.00 . A A . 3 ASN N 1 1 13 4270 1 1 3 ASN ND2 N -13.358 2.262 -2.721 1.00 . A A . 3 ASN ND2 1 1 13 4271 1 1 3 ASN O O -11.074 -1.439 -0.840 1.00 . A A . 3 ASN O 1 1 13 4272 1 1 3 ASN OD1 O -11.706 2.053 -1.255 1.00 . A A . 3 ASN OD1 1 1 13 4273 1 1 4 ILE C C -8.627 -1.058 -2.779 1.00 . A A . 4 ILE C 1 1 13 4274 1 1 4 ILE CA C -9.719 -2.088 -3.265 1.00 . A A . 4 ILE CA 1 1 13 4275 1 1 4 ILE CB C -9.495 -2.616 -4.728 1.00 . A A . 4 ILE CB 1 1 13 4276 1 1 4 ILE CD1 C -8.113 -4.353 -6.121 1.00 . A A . 4 ILE CD1 1 1 13 4277 1 1 4 ILE CG1 C -8.201 -3.476 -4.861 1.00 . A A . 4 ILE CG1 1 1 13 4278 1 1 4 ILE CG2 C -9.542 -1.494 -5.794 1.00 . A A . 4 ILE CG2 1 1 13 4279 1 1 4 ILE H H -11.797 -1.668 -3.888 1.00 . A A . 4 ILE H 1 1 13 4280 1 1 4 ILE HA H -9.609 -2.975 -2.628 1.00 . A A . 4 ILE HA 1 1 13 4281 1 1 4 ILE HB H -10.335 -3.302 -4.954 1.00 . A A . 4 ILE HB 1 1 13 4282 1 1 4 ILE HD11 H -8.081 -3.749 -7.045 1.00 . A A . 4 ILE HD11 1 1 13 4283 1 1 4 ILE HD12 H -8.973 -5.042 -6.200 1.00 . A A . 4 ILE HD12 1 1 13 4284 1 1 4 ILE HD13 H -7.198 -4.972 -6.108 1.00 . A A . 4 ILE HD13 1 1 13 4285 1 1 4 ILE HG12 H -7.305 -2.830 -4.808 1.00 . A A . 4 ILE HG12 1 1 13 4286 1 1 4 ILE HG13 H -8.119 -4.152 -3.988 1.00 . A A . 4 ILE HG13 1 1 13 4287 1 1 4 ILE HG21 H -10.469 -0.899 -5.710 1.00 . A A . 4 ILE HG21 1 1 13 4288 1 1 4 ILE HG22 H -9.517 -1.903 -6.819 1.00 . A A . 4 ILE HG22 1 1 13 4289 1 1 4 ILE HG23 H -8.692 -0.796 -5.688 1.00 . A A . 4 ILE HG23 1 1 13 4290 1 1 4 ILE N N -11.149 -1.682 -3.096 1.00 . A A . 4 ILE N 1 1 13 4291 1 1 4 ILE O O -7.511 -1.468 -2.451 1.00 . A A . 4 ILE O 1 1 13 4292 1 1 5 LEU C C -7.719 1.415 -0.774 1.00 . A A . 5 LEU C 1 1 13 4293 1 1 5 LEU CA C -8.047 1.334 -2.297 1.00 . A A . 5 LEU CA 1 1 13 4294 1 1 5 LEU CB C -8.595 2.687 -2.861 1.00 . A A . 5 LEU CB 1 1 13 4295 1 1 5 LEU CD1 C -6.356 3.746 -3.633 1.00 . A A . 5 LEU CD1 1 1 13 4296 1 1 5 LEU CD2 C -8.392 5.194 -3.271 1.00 . A A . 5 LEU CD2 1 1 13 4297 1 1 5 LEU CG C -7.649 3.924 -2.810 1.00 . A A . 5 LEU CG 1 1 13 4298 1 1 5 LEU H H -9.957 0.415 -2.854 1.00 . A A . 5 LEU H 1 1 13 4299 1 1 5 LEU HA H -7.096 1.100 -2.801 1.00 . A A . 5 LEU HA 1 1 13 4300 1 1 5 LEU HB2 H -8.924 2.560 -3.913 1.00 . A A . 5 LEU HB2 1 1 13 4301 1 1 5 LEU HB3 H -9.532 2.943 -2.325 1.00 . A A . 5 LEU HB3 1 1 13 4302 1 1 5 LEU HD11 H -6.566 3.553 -4.701 1.00 . A A . 5 LEU HD11 1 1 13 4303 1 1 5 LEU HD12 H -5.711 4.643 -3.580 1.00 . A A . 5 LEU HD12 1 1 13 4304 1 1 5 LEU HD13 H -5.745 2.904 -3.260 1.00 . A A . 5 LEU HD13 1 1 13 4305 1 1 5 LEU HD21 H -8.725 5.123 -4.324 1.00 . A A . 5 LEU HD21 1 1 13 4306 1 1 5 LEU HD22 H -7.755 6.094 -3.187 1.00 . A A . 5 LEU HD22 1 1 13 4307 1 1 5 LEU HD23 H -9.292 5.386 -2.656 1.00 . A A . 5 LEU HD23 1 1 13 4308 1 1 5 LEU HG H -7.355 4.096 -1.758 1.00 . A A . 5 LEU HG 1 1 13 4309 1 1 5 LEU N N -8.960 0.249 -2.728 1.00 . A A . 5 LEU N 1 1 13 4310 1 1 5 LEU O O -6.645 1.927 -0.450 1.00 . A A . 5 LEU O 1 1 13 4311 1 1 6 VAL C C -7.004 0.101 1.965 1.00 . A A . 6 VAL C 1 1 13 4312 1 1 6 VAL CA C -8.280 0.948 1.631 1.00 . A A . 6 VAL CA 1 1 13 4313 1 1 6 VAL CB C -9.532 0.602 2.523 1.00 . A A . 6 VAL CB 1 1 13 4314 1 1 6 VAL CG1 C -9.271 0.854 4.028 1.00 . A A . 6 VAL CG1 1 1 13 4315 1 1 6 VAL CG2 C -10.811 1.363 2.123 1.00 . A A . 6 VAL CG2 1 1 13 4316 1 1 6 VAL H H -9.423 0.495 -0.220 1.00 . A A . 6 VAL H 1 1 13 4317 1 1 6 VAL HA H -8.014 1.993 1.873 1.00 . A A . 6 VAL HA 1 1 13 4318 1 1 6 VAL HB H -9.797 -0.464 2.418 1.00 . A A . 6 VAL HB 1 1 13 4319 1 1 6 VAL HG11 H -8.429 0.245 4.406 1.00 . A A . 6 VAL HG11 1 1 13 4320 1 1 6 VAL HG12 H -10.147 0.590 4.650 1.00 . A A . 6 VAL HG12 1 1 13 4321 1 1 6 VAL HG13 H -9.027 1.912 4.236 1.00 . A A . 6 VAL HG13 1 1 13 4322 1 1 6 VAL HG21 H -11.659 1.115 2.786 1.00 . A A . 6 VAL HG21 1 1 13 4323 1 1 6 VAL HG22 H -11.124 1.083 1.101 1.00 . A A . 6 VAL HG22 1 1 13 4324 1 1 6 VAL HG23 H -10.658 2.457 2.139 1.00 . A A . 6 VAL HG23 1 1 13 4325 1 1 6 VAL N N -8.576 0.932 0.157 1.00 . A A . 6 VAL N 1 1 13 4326 1 1 6 VAL O O -6.092 0.614 2.620 1.00 . A A . 6 VAL O 1 1 13 4327 1 1 7 LYS C C -4.553 -1.750 0.757 1.00 . A A . 7 LYS C 1 1 13 4328 1 1 7 LYS CA C -5.766 -2.050 1.697 1.00 . A A . 7 LYS CA 1 1 13 4329 1 1 7 LYS CB C -6.169 -3.552 1.705 1.00 . A A . 7 LYS CB 1 1 13 4330 1 1 7 LYS CD C -7.147 -5.629 0.535 1.00 . A A . 7 LYS CD 1 1 13 4331 1 1 7 LYS CE C -7.837 -6.175 -0.728 1.00 . A A . 7 LYS CE 1 1 13 4332 1 1 7 LYS CG C -6.821 -4.127 0.427 1.00 . A A . 7 LYS CG 1 1 13 4333 1 1 7 LYS H H -7.782 -1.431 0.970 1.00 . A A . 7 LYS H 1 1 13 4334 1 1 7 LYS HA H -5.391 -1.854 2.713 1.00 . A A . 7 LYS HA 1 1 13 4335 1 1 7 LYS HB2 H -5.272 -4.154 1.951 1.00 . A A . 7 LYS HB2 1 1 13 4336 1 1 7 LYS HB3 H -6.855 -3.724 2.557 1.00 . A A . 7 LYS HB3 1 1 13 4337 1 1 7 LYS HD2 H -6.213 -6.193 0.726 1.00 . A A . 7 LYS HD2 1 1 13 4338 1 1 7 LYS HD3 H -7.793 -5.802 1.417 1.00 . A A . 7 LYS HD3 1 1 13 4339 1 1 7 LYS HE2 H -8.778 -5.628 -0.922 1.00 . A A . 7 LYS HE2 1 1 13 4340 1 1 7 LYS HE3 H -7.199 -6.018 -1.617 1.00 . A A . 7 LYS HE3 1 1 13 4341 1 1 7 LYS HG2 H -7.750 -3.566 0.225 1.00 . A A . 7 LYS HG2 1 1 13 4342 1 1 7 LYS HG3 H -6.162 -3.957 -0.444 1.00 . A A . 7 LYS HG3 1 1 13 4343 1 1 7 LYS HZ2 H -8.565 -7.961 -1.465 1.00 . A A . 7 LYS HZ2 1 1 13 4344 1 1 7 LYS HZ3 H -7.267 -8.145 -0.489 1.00 . A A . 7 LYS HZ3 1 1 13 4345 1 1 7 LYS N N -6.944 -1.160 1.496 1.00 . A A . 7 LYS N 1 1 13 4346 1 1 7 LYS NZ N -8.137 -7.613 -0.600 1.00 . A A . 7 LYS NZ 1 1 13 4347 1 1 7 LYS O O -3.420 -1.743 1.245 1.00 . A A . 7 LYS O 1 1 13 4348 1 1 8 MET C C -2.963 0.190 -1.389 1.00 . A A . 8 MET C 1 1 13 4349 1 1 8 MET CA C -3.676 -1.192 -1.519 1.00 . A A . 8 MET CA 1 1 13 4350 1 1 8 MET CB C -4.107 -1.482 -2.973 1.00 . A A . 8 MET CB 1 1 13 4351 1 1 8 MET CE C -4.237 -5.678 -3.171 1.00 . A A . 8 MET CE 1 1 13 4352 1 1 8 MET CG C -4.556 -2.918 -3.317 1.00 . A A . 8 MET CG 1 1 13 4353 1 1 8 MET H H -5.742 -1.482 -0.840 1.00 . A A . 8 MET H 1 1 13 4354 1 1 8 MET HA H -2.901 -1.933 -1.344 1.00 . A A . 8 MET HA 1 1 13 4355 1 1 8 MET HB2 H -4.894 -0.779 -3.252 1.00 . A A . 8 MET HB2 1 1 13 4356 1 1 8 MET HB3 H -3.260 -1.242 -3.645 1.00 . A A . 8 MET HB3 1 1 13 4357 1 1 8 MET HE1 H -5.322 -5.753 -2.978 1.00 . A A . 8 MET HE1 1 1 13 4358 1 1 8 MET HE2 H -4.077 -5.708 -4.264 1.00 . A A . 8 MET HE2 1 1 13 4359 1 1 8 MET HE3 H -3.748 -6.564 -2.729 1.00 . A A . 8 MET HE3 1 1 13 4360 1 1 8 MET HG2 H -5.632 -3.083 -3.103 1.00 . A A . 8 MET HG2 1 1 13 4361 1 1 8 MET HG3 H -4.435 -3.063 -4.399 1.00 . A A . 8 MET HG3 1 1 13 4362 1 1 8 MET N N -4.766 -1.486 -0.551 1.00 . A A . 8 MET N 1 1 13 4363 1 1 8 MET O O -1.827 0.292 -1.863 1.00 . A A . 8 MET O 1 1 13 4364 1 1 8 MET SD S -3.561 -4.163 -2.464 1.00 . A A . 8 MET SD 1 1 13 4365 1 1 9 PHE C C -1.726 2.443 0.432 1.00 . A A . 9 PHE C 1 1 13 4366 1 1 9 PHE CA C -2.905 2.557 -0.583 1.00 . A A . 9 PHE CA 1 1 13 4367 1 1 9 PHE CB C -3.952 3.651 -0.226 1.00 . A A . 9 PHE CB 1 1 13 4368 1 1 9 PHE CD1 C -3.252 5.848 -1.321 1.00 . A A . 9 PHE CD1 1 1 13 4369 1 1 9 PHE CD2 C -3.017 5.638 1.075 1.00 . A A . 9 PHE CD2 1 1 13 4370 1 1 9 PHE CE1 C -2.729 7.138 -1.257 1.00 . A A . 9 PHE CE1 1 1 13 4371 1 1 9 PHE CE2 C -2.495 6.927 1.136 1.00 . A A . 9 PHE CE2 1 1 13 4372 1 1 9 PHE CG C -3.399 5.088 -0.155 1.00 . A A . 9 PHE CG 1 1 13 4373 1 1 9 PHE CZ C -2.353 7.677 -0.029 1.00 . A A . 9 PHE CZ 1 1 13 4374 1 1 9 PHE H H -4.470 1.024 -0.329 1.00 . A A . 9 PHE H 1 1 13 4375 1 1 9 PHE HA H -2.469 2.849 -1.554 1.00 . A A . 9 PHE HA 1 1 13 4376 1 1 9 PHE HB2 H -4.766 3.633 -0.976 1.00 . A A . 9 PHE HB2 1 1 13 4377 1 1 9 PHE HB3 H -4.458 3.391 0.725 1.00 . A A . 9 PHE HB3 1 1 13 4378 1 1 9 PHE HD1 H -3.534 5.440 -2.281 1.00 . A A . 9 PHE HD1 1 1 13 4379 1 1 9 PHE HD2 H -3.114 5.066 1.987 1.00 . A A . 9 PHE HD2 1 1 13 4380 1 1 9 PHE HE1 H -2.614 7.720 -2.160 1.00 . A A . 9 PHE HE1 1 1 13 4381 1 1 9 PHE HE2 H -2.195 7.345 2.086 1.00 . A A . 9 PHE HE2 1 1 13 4382 1 1 9 PHE HZ H -1.944 8.676 0.019 1.00 . A A . 9 PHE HZ 1 1 13 4383 1 1 9 PHE N N -3.570 1.235 -0.775 1.00 . A A . 9 PHE N 1 1 13 4384 1 1 9 PHE O O -0.592 2.750 0.063 1.00 . A A . 9 PHE O 1 1 13 4385 1 1 10 LYS C C 0.086 0.646 2.419 1.00 . A A . 10 LYS C 1 1 13 4386 1 1 10 LYS CA C -0.938 1.785 2.713 1.00 . A A . 10 LYS CA 1 1 13 4387 1 1 10 LYS CB C -1.553 1.572 4.142 1.00 . A A . 10 LYS CB 1 1 13 4388 1 1 10 LYS CD C -3.078 2.414 6.036 1.00 . A A . 10 LYS CD 1 1 13 4389 1 1 10 LYS CE C -3.936 3.548 6.633 1.00 . A A . 10 LYS CE 1 1 13 4390 1 1 10 LYS CG C -2.375 2.758 4.705 1.00 . A A . 10 LYS CG 1 1 13 4391 1 1 10 LYS H H -3.000 1.837 1.817 1.00 . A A . 10 LYS H 1 1 13 4392 1 1 10 LYS HA H -0.325 2.711 2.671 1.00 . A A . 10 LYS HA 1 1 13 4393 1 1 10 LYS HB2 H -2.185 0.661 4.137 1.00 . A A . 10 LYS HB2 1 1 13 4394 1 1 10 LYS HB3 H -0.770 1.315 4.892 1.00 . A A . 10 LYS HB3 1 1 13 4395 1 1 10 LYS HD2 H -3.737 1.541 5.870 1.00 . A A . 10 LYS HD2 1 1 13 4396 1 1 10 LYS HD3 H -2.333 2.074 6.782 1.00 . A A . 10 LYS HD3 1 1 13 4397 1 1 10 LYS HE2 H -4.654 3.927 5.882 1.00 . A A . 10 LYS HE2 1 1 13 4398 1 1 10 LYS HE3 H -4.552 3.143 7.456 1.00 . A A . 10 LYS HE3 1 1 13 4399 1 1 10 LYS HG2 H -1.720 3.637 4.856 1.00 . A A . 10 LYS HG2 1 1 13 4400 1 1 10 LYS HG3 H -3.137 3.073 3.968 1.00 . A A . 10 LYS HG3 1 1 13 4401 1 1 10 LYS HZ2 H -2.554 5.069 6.415 1.00 . A A . 10 LYS HZ2 1 1 13 4402 1 1 10 LYS HZ3 H -2.480 4.332 7.872 1.00 . A A . 10 LYS HZ3 1 1 13 4403 1 1 10 LYS N N -1.994 1.982 1.670 1.00 . A A . 10 LYS N 1 1 13 4404 1 1 10 LYS NZ N -3.136 4.671 7.160 1.00 . A A . 10 LYS NZ 1 1 13 4405 1 1 10 LYS O O 1.252 0.803 2.793 1.00 . A A . 10 LYS O 1 1 13 4406 1 1 11 THR C C 1.712 -1.113 0.395 1.00 . A A . 11 THR C 1 1 13 4407 1 1 11 THR CA C 0.614 -1.584 1.405 1.00 . A A . 11 THR CA 1 1 13 4408 1 1 11 THR CB C -0.208 -2.827 0.942 1.00 . A A . 11 THR CB 1 1 13 4409 1 1 11 THR CG2 C 0.640 -4.058 0.587 1.00 . A A . 11 THR CG2 1 1 13 4410 1 1 11 THR H H -1.289 -0.506 1.486 1.00 . A A . 11 THR H 1 1 13 4411 1 1 11 THR HA H 1.122 -1.870 2.334 1.00 . A A . 11 THR HA 1 1 13 4412 1 1 11 THR HB H -0.810 -2.559 0.053 1.00 . A A . 11 THR HB 1 1 13 4413 1 1 11 THR HG1 H -0.548 -3.481 2.722 1.00 . A A . 11 THR HG1 1 1 13 4414 1 1 11 THR HG21 H 1.268 -4.378 1.439 1.00 . A A . 11 THR HG21 1 1 13 4415 1 1 11 THR HG22 H -0.001 -4.913 0.304 1.00 . A A . 11 THR HG22 1 1 13 4416 1 1 11 THR HG23 H 1.310 -3.858 -0.268 1.00 . A A . 11 THR HG23 1 1 13 4417 1 1 11 THR N N -0.309 -0.473 1.769 1.00 . A A . 11 THR N 1 1 13 4418 1 1 11 THR O O 2.904 -1.257 0.677 1.00 . A A . 11 THR O 1 1 13 4419 1 1 11 THR OG1 O -1.100 -3.236 1.976 1.00 . A A . 11 THR OG1 1 1 13 4420 1 1 12 ASN C C 3.023 1.266 -1.337 1.00 . A A . 12 ASN C 1 1 13 4421 1 1 12 ASN CA C 2.199 0.009 -1.785 1.00 . A A . 12 ASN CA 1 1 13 4422 1 1 12 ASN CB C 1.342 0.273 -3.062 1.00 . A A . 12 ASN CB 1 1 13 4423 1 1 12 ASN CG C 2.162 0.488 -4.351 1.00 . A A . 12 ASN CG 1 1 13 4424 1 1 12 ASN H H 0.281 -0.562 -0.871 1.00 . A A . 12 ASN H 1 1 13 4425 1 1 12 ASN HA H 2.920 -0.801 -2.005 1.00 . A A . 12 ASN HA 1 1 13 4426 1 1 12 ASN HB2 H 0.663 -0.582 -3.262 1.00 . A A . 12 ASN HB2 1 1 13 4427 1 1 12 ASN HB3 H 0.640 1.119 -2.894 1.00 . A A . 12 ASN HB3 1 1 13 4428 1 1 12 ASN HD21 H 1.797 2.460 -4.295 1.00 . A A . 12 ASN HD21 1 1 13 4429 1 1 12 ASN HD22 H 2.821 1.835 -5.683 1.00 . A A . 12 ASN HD22 1 1 13 4430 1 1 12 ASN N N 1.293 -0.535 -0.745 1.00 . A A . 12 ASN N 1 1 13 4431 1 1 12 ASN ND2 N 2.272 1.720 -4.824 1.00 . A A . 12 ASN ND2 1 1 13 4432 1 1 12 ASN O O 4.215 1.327 -1.651 1.00 . A A . 12 ASN O 1 1 13 4433 1 1 12 ASN OD1 O 2.701 -0.455 -4.929 1.00 . A A . 12 ASN OD1 1 1 13 4434 1 1 13 GLU C C 4.233 3.216 0.892 1.00 . A A . 13 GLU C 1 1 13 4435 1 1 13 GLU CA C 3.104 3.474 -0.152 1.00 . A A . 13 GLU CA 1 1 13 4436 1 1 13 GLU CB C 2.030 4.495 0.318 1.00 . A A . 13 GLU CB 1 1 13 4437 1 1 13 GLU CD C 1.412 6.888 0.955 1.00 . A A . 13 GLU CD 1 1 13 4438 1 1 13 GLU CG C 2.546 5.922 0.599 1.00 . A A . 13 GLU CG 1 1 13 4439 1 1 13 GLU H H 1.442 2.077 -0.355 1.00 . A A . 13 GLU H 1 1 13 4440 1 1 13 GLU HA H 3.576 3.905 -1.043 1.00 . A A . 13 GLU HA 1 1 13 4441 1 1 13 GLU HB2 H 1.245 4.573 -0.461 1.00 . A A . 13 GLU HB2 1 1 13 4442 1 1 13 GLU HB3 H 1.513 4.107 1.218 1.00 . A A . 13 GLU HB3 1 1 13 4443 1 1 13 GLU HE2 H 1.464 7.375 -0.930 1.00 . A A . 13 GLU HE2 1 1 13 4444 1 1 13 GLU HG2 H 3.275 5.906 1.431 1.00 . A A . 13 GLU HG2 1 1 13 4445 1 1 13 GLU HG3 H 3.104 6.304 -0.276 1.00 . A A . 13 GLU HG3 1 1 13 4446 1 1 13 GLU N N 2.415 2.245 -0.623 1.00 . A A . 13 GLU N 1 1 13 4447 1 1 13 GLU O O 5.358 3.676 0.686 1.00 . A A . 13 GLU O 1 1 13 4448 1 1 13 GLU OE1 O 0.947 7.002 2.088 1.00 . A A . 13 GLU OE1 1 1 13 4449 1 1 13 GLU OE2 O 0.979 7.603 -0.133 1.00 . A A . 13 GLU OE2 1 1 13 4450 1 1 14 ASN C C 6.100 1.218 2.544 1.00 . A A . 14 ASN C 1 1 13 4451 1 1 14 ASN CA C 4.915 2.109 3.033 1.00 . A A . 14 ASN CA 1 1 13 4452 1 1 14 ASN CB C 4.211 1.475 4.268 1.00 . A A . 14 ASN CB 1 1 13 4453 1 1 14 ASN CG C 3.231 2.377 5.057 1.00 . A A . 14 ASN CG 1 1 13 4454 1 1 14 ASN H H 2.953 2.189 2.016 1.00 . A A . 14 ASN H 1 1 13 4455 1 1 14 ASN HA H 5.354 3.058 3.369 1.00 . A A . 14 ASN HA 1 1 13 4456 1 1 14 ASN HB2 H 3.705 0.540 3.956 1.00 . A A . 14 ASN HB2 1 1 13 4457 1 1 14 ASN HB3 H 4.983 1.146 4.991 1.00 . A A . 14 ASN HB3 1 1 13 4458 1 1 14 ASN HD21 H 2.287 0.750 5.753 1.00 . A A . 14 ASN HD21 1 1 13 4459 1 1 14 ASN HD22 H 1.658 2.385 6.301 1.00 . A A . 14 ASN HD22 1 1 13 4460 1 1 14 ASN N N 3.931 2.476 1.976 1.00 . A A . 14 ASN N 1 1 13 4461 1 1 14 ASN ND2 N 2.296 1.776 5.776 1.00 . A A . 14 ASN ND2 1 1 13 4462 1 1 14 ASN O O 7.254 1.517 2.865 1.00 . A A . 14 ASN O 1 1 13 4463 1 1 14 ASN OD1 O 3.312 3.606 5.048 1.00 . A A . 14 ASN OD1 1 1 13 4464 1 1 15 ASN C C 7.812 -0.089 0.176 1.00 . A A . 15 ASN C 1 1 13 4465 1 1 15 ASN CA C 6.833 -0.762 1.194 1.00 . A A . 15 ASN CA 1 1 13 4466 1 1 15 ASN CB C 6.106 -2.005 0.591 1.00 . A A . 15 ASN CB 1 1 13 4467 1 1 15 ASN CG C 7.025 -3.194 0.244 1.00 . A A . 15 ASN CG 1 1 13 4468 1 1 15 ASN H H 4.816 0.025 1.589 1.00 . A A . 15 ASN H 1 1 13 4469 1 1 15 ASN HA H 7.438 -1.097 2.056 1.00 . A A . 15 ASN HA 1 1 13 4470 1 1 15 ASN HB2 H 5.308 -2.367 1.271 1.00 . A A . 15 ASN HB2 1 1 13 4471 1 1 15 ASN HB3 H 5.550 -1.715 -0.325 1.00 . A A . 15 ASN HB3 1 1 13 4472 1 1 15 ASN HD21 H 6.887 -3.892 2.120 1.00 . A A . 15 ASN HD21 1 1 13 4473 1 1 15 ASN HD22 H 7.922 -4.847 0.945 1.00 . A A . 15 ASN HD22 1 1 13 4474 1 1 15 ASN N N 5.811 0.150 1.772 1.00 . A A . 15 ASN N 1 1 13 4475 1 1 15 ASN ND2 N 7.307 -4.067 1.201 1.00 . A A . 15 ASN ND2 1 1 13 4476 1 1 15 ASN O O 9.002 -0.414 0.196 1.00 . A A . 15 ASN O 1 1 13 4477 1 1 15 ASN OD1 O 7.491 -3.333 -0.887 1.00 . A A . 15 ASN OD1 1 1 13 4478 1 1 16 ASP C C 8.558 2.968 -1.131 1.00 . A A . 16 ASP C 1 1 13 4479 1 1 16 ASP CA C 8.137 1.559 -1.682 1.00 . A A . 16 ASP CA 1 1 13 4480 1 1 16 ASP CB C 7.358 1.576 -3.029 1.00 . A A . 16 ASP CB 1 1 13 4481 1 1 16 ASP CG C 8.190 1.990 -4.252 1.00 . A A . 16 ASP CG 1 1 13 4482 1 1 16 ASP H H 6.414 1.186 -0.429 1.00 . A A . 16 ASP H 1 1 13 4483 1 1 16 ASP HA H 9.054 0.979 -1.841 1.00 . A A . 16 ASP HA 1 1 13 4484 1 1 16 ASP HB2 H 6.933 0.577 -3.247 1.00 . A A . 16 ASP HB2 1 1 13 4485 1 1 16 ASP HB3 H 6.479 2.245 -2.952 1.00 . A A . 16 ASP HB3 1 1 13 4486 1 1 16 ASP HD2 H 8.767 0.131 -4.277 1.00 . A A . 16 ASP HD2 1 1 13 4487 1 1 16 ASP N N 7.315 0.814 -0.700 1.00 . A A . 16 ASP N 1 1 13 4488 1 1 16 ASP O O 8.379 4.002 -1.782 1.00 . A A . 16 ASP O 1 1 13 4489 1 1 16 ASP OD1 O 8.205 3.134 -4.707 1.00 . A A . 16 ASP OD1 1 1 13 4490 1 1 16 ASP OD2 O 8.909 0.943 -4.769 1.00 . A A . 16 ASP OD2 1 1 13 4491 1 1 17 LYS C C 10.933 3.733 1.586 1.00 . A A . 17 LYS C 1 1 13 4492 1 1 17 LYS CA C 9.676 4.159 0.776 1.00 . A A . 17 LYS CA 1 1 13 4493 1 1 17 LYS CB C 8.574 4.893 1.607 1.00 . A A . 17 LYS CB 1 1 13 4494 1 1 17 LYS CD C 8.061 6.900 0.084 1.00 . A A . 17 LYS CD 1 1 13 4495 1 1 17 LYS CE C 7.941 8.431 -0.019 1.00 . A A . 17 LYS CE 1 1 13 4496 1 1 17 LYS CG C 8.565 6.429 1.465 1.00 . A A . 17 LYS CG 1 1 13 4497 1 1 17 LYS H H 8.947 2.128 0.602 1.00 . A A . 17 LYS H 1 1 13 4498 1 1 17 LYS HA H 10.034 4.823 -0.011 1.00 . A A . 17 LYS HA 1 1 13 4499 1 1 17 LYS HB2 H 7.571 4.526 1.332 1.00 . A A . 17 LYS HB2 1 1 13 4500 1 1 17 LYS HB3 H 8.658 4.636 2.679 1.00 . A A . 17 LYS HB3 1 1 13 4501 1 1 17 LYS HD2 H 8.743 6.521 -0.701 1.00 . A A . 17 LYS HD2 1 1 13 4502 1 1 17 LYS HD3 H 7.082 6.423 -0.122 1.00 . A A . 17 LYS HD3 1 1 13 4503 1 1 17 LYS HE2 H 7.246 8.817 0.750 1.00 . A A . 17 LYS HE2 1 1 13 4504 1 1 17 LYS HE3 H 8.919 8.909 0.177 1.00 . A A . 17 LYS HE3 1 1 13 4505 1 1 17 LYS HG2 H 7.909 6.847 2.251 1.00 . A A . 17 LYS HG2 1 1 13 4506 1 1 17 LYS HG3 H 9.572 6.836 1.671 1.00 . A A . 17 LYS HG3 1 1 13 4507 1 1 17 LYS HZ2 H 6.553 8.411 -1.547 1.00 . A A . 17 LYS HZ2 1 1 13 4508 1 1 17 LYS HZ3 H 8.097 8.498 -2.076 1.00 . A A . 17 LYS HZ3 1 1 13 4509 1 1 17 LYS N N 9.155 2.968 0.075 1.00 . A A . 17 LYS N 1 1 13 4510 1 1 17 LYS NZ N 7.462 8.845 -1.349 1.00 . A A . 17 LYS NZ 1 1 13 4511 1 1 17 LYS O O 12.045 4.145 1.241 1.00 . A A . 17 LYS O 1 1 13 4512 1 1 18 SER C C 12.716 1.289 2.723 1.00 . A A . 18 SER C 1 1 13 4513 1 1 18 SER CA C 11.881 2.379 3.470 1.00 . A A . 18 SER CA 1 1 13 4514 1 1 18 SER CB C 11.365 1.884 4.856 1.00 . A A . 18 SER CB 1 1 13 4515 1 1 18 SER H H 9.766 2.678 2.792 1.00 . A A . 18 SER H 1 1 13 4516 1 1 18 SER HA H 12.590 3.216 3.630 1.00 . A A . 18 SER HA 1 1 13 4517 1 1 18 SER HB2 H 10.680 2.591 5.379 1.00 . A A . 18 SER HB2 1 1 13 4518 1 1 18 SER HB3 H 10.774 0.956 4.740 1.00 . A A . 18 SER HB3 1 1 13 4519 1 1 18 SER HG H 12.924 2.456 5.827 1.00 . A A . 18 SER HG 1 1 13 4520 1 1 18 SER N N 10.756 2.905 2.640 1.00 . A A . 18 SER N 1 1 13 4521 1 1 18 SER O O 13.940 1.428 2.633 1.00 . A A . 18 SER O 1 1 13 4522 1 1 18 SER OG O 12.463 1.620 5.721 1.00 . A A . 18 SER OG 1 1 13 4523 1 1 19 GLU C C 12.425 -0.604 -0.084 1.00 . A A . 19 GLU C 1 1 13 4524 1 1 19 GLU CA C 12.724 -0.851 1.429 1.00 . A A . 19 GLU CA 1 1 13 4525 1 1 19 GLU CB C 12.230 -2.217 1.991 1.00 . A A . 19 GLU CB 1 1 13 4526 1 1 19 GLU CD C 14.405 -3.617 1.944 1.00 . A A . 19 GLU CD 1 1 13 4527 1 1 19 GLU CG C 12.964 -3.451 1.448 1.00 . A A . 19 GLU CG 1 1 13 4528 1 1 19 GLU H H 11.051 0.294 2.258 1.00 . A A . 19 GLU H 1 1 13 4529 1 1 19 GLU HA H 13.822 -0.817 1.584 1.00 . A A . 19 GLU HA 1 1 13 4530 1 1 19 GLU HB2 H 12.301 -2.227 3.097 1.00 . A A . 19 GLU HB2 1 1 13 4531 1 1 19 GLU HB3 H 11.155 -2.368 1.768 1.00 . A A . 19 GLU HB3 1 1 13 4532 1 1 19 GLU HE2 H 16.224 -3.245 1.359 1.00 . A A . 19 GLU HE2 1 1 13 4533 1 1 19 GLU HG2 H 12.382 -4.337 1.753 1.00 . A A . 19 GLU HG2 1 1 13 4534 1 1 19 GLU HG3 H 12.928 -3.435 0.344 1.00 . A A . 19 GLU HG3 1 1 13 4535 1 1 19 GLU N N 12.065 0.229 2.203 1.00 . A A . 19 GLU N 1 1 13 4536 1 1 19 GLU O O 11.611 -1.296 -0.704 1.00 . A A . 19 GLU O 1 1 13 4537 1 1 19 GLU OE1 O 14.695 -4.122 3.028 1.00 . A A . 19 GLU OE1 1 1 13 4538 1 1 19 GLU OE2 O 15.323 -3.140 1.044 1.00 . A A . 19 GLU OE2 1 1 13 4539 1 1 20 LEU C C 14.280 0.391 -2.858 1.00 . A A . 20 LEU C 1 1 13 4540 1 1 20 LEU CA C 12.971 0.796 -2.088 1.00 . A A . 20 LEU CA 1 1 13 4541 1 1 20 LEU CB C 12.632 2.333 -2.138 1.00 . A A . 20 LEU CB 1 1 13 4542 1 1 20 LEU CD1 C 11.503 4.330 -3.239 1.00 . A A . 20 LEU CD1 1 1 13 4543 1 1 20 LEU CD2 C 12.463 2.556 -4.742 1.00 . A A . 20 LEU CD2 1 1 13 4544 1 1 20 LEU CG C 11.818 2.826 -3.368 1.00 . A A . 20 LEU CG 1 1 13 4545 1 1 20 LEU H H 13.734 0.884 0.003 1.00 . A A . 20 LEU H 1 1 13 4546 1 1 20 LEU HA H 12.107 0.270 -2.557 1.00 . A A . 20 LEU HA 1 1 13 4547 1 1 20 LEU HB2 H 12.042 2.644 -1.245 1.00 . A A . 20 LEU HB2 1 1 13 4548 1 1 20 LEU HB3 H 13.567 2.921 -2.047 1.00 . A A . 20 LEU HB3 1 1 13 4549 1 1 20 LEU HD11 H 10.830 4.678 -4.045 1.00 . A A . 20 LEU HD11 1 1 13 4550 1 1 20 LEU HD12 H 10.998 4.565 -2.284 1.00 . A A . 20 LEU HD12 1 1 13 4551 1 1 20 LEU HD13 H 12.417 4.952 -3.282 1.00 . A A . 20 LEU HD13 1 1 13 4552 1 1 20 LEU HD21 H 11.833 2.931 -5.571 1.00 . A A . 20 LEU HD21 1 1 13 4553 1 1 20 LEU HD22 H 13.454 3.038 -4.838 1.00 . A A . 20 LEU HD22 1 1 13 4554 1 1 20 LEU HD23 H 12.601 1.475 -4.924 1.00 . A A . 20 LEU HD23 1 1 13 4555 1 1 20 LEU HG H 10.852 2.290 -3.349 1.00 . A A . 20 LEU HG 1 1 13 4556 1 1 20 LEU N N 13.114 0.402 -0.656 1.00 . A A . 20 LEU N 1 1 13 4557 1 1 20 LEU O O 15.015 1.265 -3.333 1.00 . A A . 20 LEU O 1 1 13 4558 1 1 21 ILE C C 15.471 -2.860 -4.226 1.00 . A A . 21 ILE C 1 1 13 4559 1 1 21 ILE CA C 15.781 -1.409 -3.748 1.00 . A A . 21 ILE CA 1 1 13 4560 1 1 21 ILE CB C 17.134 -1.240 -2.957 1.00 . A A . 21 ILE CB 1 1 13 4561 1 1 21 ILE CD1 C 19.717 -1.008 -3.335 1.00 . A A . 21 ILE CD1 1 1 13 4562 1 1 21 ILE CG1 C 18.367 -1.518 -3.866 1.00 . A A . 21 ILE CG1 1 1 13 4563 1 1 21 ILE CG2 C 17.214 -2.039 -1.628 1.00 . A A . 21 ILE CG2 1 1 13 4564 1 1 21 ILE H H 14.025 -1.595 -2.458 1.00 . A A . 21 ILE H 1 1 13 4565 1 1 21 ILE HA H 15.869 -0.767 -4.650 1.00 . A A . 21 ILE HA 1 1 13 4566 1 1 21 ILE HB H 17.195 -0.171 -2.675 1.00 . A A . 21 ILE HB 1 1 13 4567 1 1 21 ILE HD11 H 20.524 -1.188 -4.068 1.00 . A A . 21 ILE HD11 1 1 13 4568 1 1 21 ILE HD12 H 20.013 -1.514 -2.399 1.00 . A A . 21 ILE HD12 1 1 13 4569 1 1 21 ILE HD13 H 19.693 0.079 -3.135 1.00 . A A . 21 ILE HD13 1 1 13 4570 1 1 21 ILE HG12 H 18.447 -2.601 -4.080 1.00 . A A . 21 ILE HG12 1 1 13 4571 1 1 21 ILE HG13 H 18.209 -1.043 -4.853 1.00 . A A . 21 ILE HG13 1 1 13 4572 1 1 21 ILE HG21 H 16.349 -1.829 -0.974 1.00 . A A . 21 ILE HG21 1 1 13 4573 1 1 21 ILE HG22 H 18.114 -1.777 -1.043 1.00 . A A . 21 ILE HG22 1 1 13 4574 1 1 21 ILE HG23 H 17.244 -3.131 -1.796 1.00 . A A . 21 ILE HG23 1 1 13 4575 1 1 21 ILE N N 14.586 -0.925 -2.997 1.00 . A A . 21 ILE N 1 1 13 4576 1 1 21 ILE O O 15.249 -3.780 -3.437 1.00 . A A . 21 ILE O 1 1 stop_ save_
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