NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
403647 | 1wo5 | 6327 | cing | 4-filtered-FRED | STAR | entry | full | 147 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1wo5 # This FRED archive file contains, for PDB entry <1wo5>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1wo5 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1wo5 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 2666.58 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 $CREB_Binding_Protein A . 1 1 2 . 2 $ZINC_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 ZN 1 ZN 1 1 stop_ save_ save_CREB_Binding_Protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "CREB Binding Protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code RVIACFLKVCAAAANVAAHMTHCAK _Entity.Number_of_monomers 25 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ARG . 1 1 2 VAL . 1 1 3 ILE . 1 1 4 ALA . 1 1 5 CYS . 1 1 6 PHE . 1 1 7 LEU . 1 1 8 LYS . 1 1 9 VAL . 1 1 10 CYS . 1 1 11 ALA . 1 1 12 ALA . 1 1 13 ALA . 1 1 14 ALA . 1 1 15 ASN . 1 1 16 VAL . 1 1 17 ALA . 1 1 18 ALA . 1 1 19 HIS . 1 1 20 MET . 1 1 21 THR . 1 1 22 HIS . 1 1 23 CYS . 1 1 24 ALA . 1 1 25 LYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ARG 1 1 1 1 VAL 2 2 1 1 ILE 3 3 1 1 ALA 4 4 1 1 CYS 5 5 1 1 PHE 6 6 1 1 LEU 7 7 1 1 LYS 8 8 1 1 VAL 9 9 1 1 CYS 10 10 1 1 ALA 11 11 1 1 ALA 12 12 1 1 ALA 13 13 1 1 ALA 14 14 1 1 ASN 15 15 1 1 VAL 16 16 1 1 ALA 17 17 1 1 ALA 18 18 1 1 HIS 19 19 1 1 MET 20 20 1 1 THR 21 21 1 1 HIS 22 22 1 1 CYS 23 23 1 1 ALA 24 24 1 1 LYS 25 25 1 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 2 stop_ save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 ARG HA . 1 . HA 1 1 1 1 2 1 1 1 ARG QG . 1 . HG* 1 1 2 1 1 1 1 1 ARG QD . 1 . HD* 1 1 2 1 2 1 1 3 ILE MG . 3 . HG2* 1 1 3 1 1 1 1 2 VAL HB . 2 . HB 1 1 3 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 4 1 1 1 1 2 VAL QG . 2 . HG* 1 1 4 1 2 1 1 3 ILE H . 3 . HN 1 1 5 1 1 1 1 2 VAL QG . 2 . HG* 1 1 5 1 2 1 1 3 ILE HA . 3 . HA 1 1 6 1 1 1 1 2 VAL QG . 2 . HG* 1 1 6 1 2 1 1 3 ILE MD . 3 . HD* 1 1 7 1 1 1 1 2 VAL QG . 2 . HG* 1 1 7 1 2 1 1 10 CYS HA . 10 . HA 1 1 8 1 1 1 1 2 VAL QG . 2 . HG* 1 1 8 1 2 1 1 14 ALA H . 14 . HN 1 1 9 1 1 1 1 2 VAL QG . 2 . HG* 1 1 9 1 2 1 1 14 ALA HA . 14 . HA 1 1 10 1 1 1 1 2 VAL QG . 2 . HG* 1 1 10 1 2 1 1 15 ASN H . 15 . HN 1 1 11 1 1 1 1 2 VAL QG . 2 . HG* 1 1 11 1 2 1 1 16 VAL HA . 16 . HA 1 1 12 1 1 1 1 2 VAL QG . 2 . HG* 1 1 12 1 2 1 1 19 HIS H . 19 . HN 1 1 13 1 1 1 1 2 VAL QG . 2 . HG* 1 1 13 1 2 1 1 19 HIS QB . 19 . HB* 1 1 14 1 1 1 1 2 VAL QG . 2 . HG* 1 1 14 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 15 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 15 1 2 1 1 3 ILE MD . 3 . HD* 1 1 16 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 16 1 2 1 1 14 ALA HA . 14 . HA 1 1 17 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 17 1 2 1 1 16 VAL HA . 16 . HA 1 1 18 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 18 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 19 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 19 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 20 1 1 1 1 2 VAL MG1 . 2 . HG1* 1 1 20 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 21 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 21 1 2 1 1 3 ILE MD . 3 . HD* 1 1 22 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 22 1 2 1 1 14 ALA HA . 14 . HA 1 1 23 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 23 1 2 1 1 16 VAL HA . 16 . HA 1 1 24 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 24 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 25 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 25 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 26 1 1 1 1 2 VAL MG2 . 2 . HG2* 1 1 26 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 27 1 1 1 1 3 ILE H . 3 . HN 1 1 27 1 2 1 1 3 ILE HB . 3 . HB 1 1 28 1 1 1 1 3 ILE HA . 3 . HA 1 1 28 1 2 1 1 3 ILE HB . 3 . HB 1 1 29 1 1 1 1 3 ILE MG . 3 . HG2* 1 1 29 1 2 1 1 4 ALA H . 4 . HN 1 1 30 1 1 1 1 4 ALA HA . 4 . HA 1 1 30 1 2 1 1 5 CYS H . 5 . HN 1 1 31 1 1 1 1 5 CYS H . 5 . HN 1 1 31 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 32 1 1 1 1 5 CYS H . 5 . HN 1 1 32 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 33 1 1 1 1 5 CYS HA . 5 . HA 1 1 33 1 2 1 1 6 PHE H . 6 . HN 1 1 34 1 1 1 1 5 CYS HA . 5 . HA 1 1 34 1 2 1 1 7 LEU H . 7 . HN 1 1 35 1 1 1 1 5 CYS QB . 5 . HB* 1 1 35 1 2 1 1 11 ALA H . 11 . HN 1 1 36 1 1 1 1 5 CYS QB . 5 . HB* 1 1 36 1 2 1 1 11 ALA MB . 11 . HB* 1 1 37 1 1 1 1 5 CYS QB . 5 . HB* 1 1 37 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 38 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 38 1 2 1 1 11 ALA H . 11 . HN 1 1 39 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 39 1 2 1 1 11 ALA MB . 11 . HB* 1 1 40 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 40 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 41 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 41 1 2 1 1 11 ALA H . 11 . HN 1 1 42 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 42 1 2 1 1 11 ALA MB . 11 . HB* 1 1 43 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 43 1 2 1 1 19 HIS HE1 . 19 . HE1 1 1 44 1 1 1 1 6 PHE H . 6 . HN 1 1 44 1 2 1 1 7 LEU H . 7 . HN 1 1 45 1 1 1 1 6 PHE QD . 6 . HD* 1 1 45 1 2 1 1 7 LEU QD . 7 . HD* 1 1 46 1 1 1 1 6 PHE QD . 6 . HD* 1 1 46 1 2 1 1 7 LEU HG . 7 . HG 1 1 47 1 1 1 1 6 PHE QE . 6 . HE* 1 1 47 1 2 1 1 7 LEU MD1 . 7 . HD1* 1 1 48 1 1 1 1 6 PHE QE . 6 . HE* 1 1 48 1 2 1 1 7 LEU MD2 . 7 . HD2* 1 1 49 1 1 1 1 6 PHE QE . 6 . HE* 1 1 49 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 50 1 1 1 1 7 LEU H . 7 . HN 1 1 50 1 2 1 1 7 LEU HB2 . 7 . HB2 1 1 51 1 1 1 1 7 LEU H . 7 . HN 1 1 51 1 2 1 1 7 LEU QB . 7 . HB* 1 1 52 1 1 1 1 7 LEU H . 7 . HN 1 1 52 1 2 1 1 7 LEU HB3 . 7 . HB1 1 1 53 1 1 1 1 7 LEU H . 7 . HN 1 1 53 1 2 1 1 7 LEU HG . 7 . HG 1 1 54 1 1 1 1 7 LEU QB . 7 . HB* 1 1 54 1 2 1 1 10 CYS QB . 10 . HB* 1 1 55 1 1 1 1 7 LEU QB . 7 . HB* 1 1 55 1 2 1 1 11 ALA H . 11 . HN 1 1 56 1 1 1 1 7 LEU HB2 . 7 . HB2 1 1 56 1 2 1 1 10 CYS H . 10 . HN 1 1 57 1 1 1 1 7 LEU HB2 . 7 . HB2 1 1 57 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 58 1 1 1 1 7 LEU HB2 . 7 . HB2 1 1 58 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 59 1 1 1 1 7 LEU HB3 . 7 . HB1 1 1 59 1 2 1 1 10 CYS H . 10 . HN 1 1 60 1 1 1 1 7 LEU HB3 . 7 . HB1 1 1 60 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 61 1 1 1 1 7 LEU HB3 . 7 . HB1 1 1 61 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 62 1 1 1 1 7 LEU QD . 7 . HD* 1 1 62 1 2 1 1 10 CYS QB . 10 . HB* 1 1 63 1 1 1 1 7 LEU QD . 7 . HD* 1 1 63 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 64 1 1 1 1 7 LEU QD . 7 . HD* 1 1 64 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1 65 1 1 1 1 8 LYS H . 8 . HN 1 1 65 1 2 1 1 8 LYS QG . 8 . HG* 1 1 66 1 1 1 1 8 LYS HA . 8 . HA 1 1 66 1 2 1 1 8 LYS QG . 8 . HG* 1 1 67 1 1 1 1 8 LYS HA . 8 . HA 1 1 67 1 2 1 1 12 ALA H . 12 . HN 1 1 68 1 1 1 1 8 LYS HA . 8 . HA 1 1 68 1 2 1 1 12 ALA MB . 12 . HB* 1 1 69 1 1 1 1 8 LYS QB . 8 . HB* 1 1 69 1 2 1 1 10 CYS H . 10 . HN 1 1 70 1 1 1 1 8 LYS QG . 8 . HG* 1 1 70 1 2 1 1 10 CYS H . 10 . HN 1 1 71 1 1 1 1 10 CYS H . 10 . HN 1 1 71 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 72 1 1 1 1 10 CYS H . 10 . HN 1 1 72 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 73 1 1 1 1 10 CYS H . 10 . HN 1 1 73 1 2 1 1 11 ALA H . 11 . HN 1 1 74 1 1 1 1 10 CYS QB . 10 . HB* 1 1 74 1 2 1 1 11 ALA H . 11 . HN 1 1 75 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 75 1 2 1 1 11 ALA H . 11 . HN 1 1 76 1 1 1 1 10 CYS HB3 . 10 . HB1 1 1 76 1 2 1 1 11 ALA H . 11 . HN 1 1 77 1 1 1 1 11 ALA H . 11 . HN 1 1 77 1 2 1 1 12 ALA H . 12 . HN 1 1 78 1 1 1 1 11 ALA HA . 11 . HA 1 1 78 1 2 1 1 12 ALA H . 12 . HN 1 1 79 1 1 1 1 13 ALA HA . 13 . HA 1 1 79 1 2 1 1 14 ALA H . 14 . HN 1 1 80 1 1 1 1 13 ALA MB . 13 . HB* 1 1 80 1 2 1 1 15 ASN H . 15 . HN 1 1 81 1 1 1 1 13 ALA MB . 13 . HB* 1 1 81 1 2 1 1 15 ASN HB2 . 15 . HB2 1 1 82 1 1 1 1 13 ALA MB . 13 . HB* 1 1 82 1 2 1 1 15 ASN QB . 15 . HB* 1 1 83 1 1 1 1 13 ALA MB . 13 . HB* 1 1 83 1 2 1 1 15 ASN HB3 . 15 . HB1 1 1 84 1 1 1 1 14 ALA H . 14 . HN 1 1 84 1 2 1 1 14 ALA HA . 14 . HA 1 1 85 1 1 1 1 14 ALA H . 14 . HN 1 1 85 1 2 1 1 15 ASN H . 15 . HN 1 1 86 1 1 1 1 14 ALA HA . 14 . HA 1 1 86 1 2 1 1 15 ASN H . 15 . HN 1 1 87 1 1 1 1 15 ASN H . 15 . HN 1 1 87 1 2 1 1 15 ASN HB2 . 15 . HB2 1 1 88 1 1 1 1 15 ASN H . 15 . HN 1 1 88 1 2 1 1 15 ASN HB3 . 15 . HB1 1 1 89 1 1 1 1 15 ASN HA . 15 . HA 1 1 89 1 2 1 1 15 ASN HD22 . 15 . HD22 1 1 90 1 1 1 1 15 ASN HA . 15 . HA 1 1 90 1 2 1 1 16 VAL H . 16 . HN 1 1 91 1 1 1 1 15 ASN HA . 15 . HA 1 1 91 1 2 1 1 17 ALA H . 17 . HN 1 1 92 1 1 1 1 16 VAL H . 16 . HN 1 1 92 1 2 1 1 16 VAL HB . 16 . HB 1 1 93 1 1 1 1 16 VAL H . 16 . HN 1 1 93 1 2 1 1 17 ALA H . 17 . HN 1 1 94 1 1 1 1 16 VAL HA . 16 . HA 1 1 94 1 2 1 1 19 HIS H . 19 . HN 1 1 95 1 1 1 1 16 VAL HA . 16 . HA 1 1 95 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 96 1 1 1 1 16 VAL HA . 16 . HA 1 1 96 1 2 1 1 19 HIS QB . 19 . HB* 1 1 97 1 1 1 1 16 VAL HA . 16 . HA 1 1 97 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 98 1 1 1 1 16 VAL HA . 16 . HA 1 1 98 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 99 1 1 1 1 16 VAL HB . 16 . HB 1 1 99 1 2 1 1 17 ALA H . 17 . HN 1 1 100 1 1 1 1 16 VAL QG . 16 . HG* 1 1 100 1 2 1 1 20 MET QG . 20 . HG* 1 1 101 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 101 1 2 1 1 17 ALA H . 17 . HN 1 1 102 1 1 1 1 16 VAL MG1 . 16 . HG1* 1 1 102 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 103 1 1 1 1 16 VAL MG2 . 16 . HG2* 1 1 103 1 2 1 1 17 ALA H . 17 . HN 1 1 104 1 1 1 1 16 VAL MG2 . 16 . HG2* 1 1 104 1 2 1 1 19 HIS HD2 . 19 . HD2 1 1 105 1 1 1 1 17 ALA H . 17 . HN 1 1 105 1 2 1 1 17 ALA HA . 17 . HA 1 1 106 1 1 1 1 17 ALA H . 17 . HN 1 1 106 1 2 1 1 18 ALA H . 18 . HN 1 1 107 1 1 1 1 17 ALA HA . 17 . HA 1 1 107 1 2 1 1 20 MET H . 20 . HN 1 1 108 1 1 1 1 19 HIS H . 19 . HN 1 1 108 1 2 1 1 19 HIS HB2 . 19 . HB2 1 1 109 1 1 1 1 19 HIS H . 19 . HN 1 1 109 1 2 1 1 19 HIS QB . 19 . HB* 1 1 110 1 1 1 1 19 HIS H . 19 . HN 1 1 110 1 2 1 1 19 HIS HB3 . 19 . HB1 1 1 111 1 1 1 1 19 HIS H . 19 . HN 1 1 111 1 2 1 1 20 MET H . 20 . HN 1 1 112 1 1 1 1 19 HIS QB . 19 . HB* 1 1 112 1 2 1 1 20 MET H . 20 . HN 1 1 113 1 1 1 1 19 HIS HB2 . 19 . HB2 1 1 113 1 2 1 1 20 MET H . 20 . HN 1 1 114 1 1 1 1 19 HIS HB3 . 19 . HB1 1 1 114 1 2 1 1 20 MET H . 20 . HN 1 1 115 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 115 1 2 1 1 20 MET H . 20 . HN 1 1 116 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 116 1 2 1 1 20 MET HA . 20 . HA 1 1 117 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 117 1 2 1 1 20 MET QB . 20 . HB* 1 1 118 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 118 1 2 1 1 20 MET QG . 20 . HG* 1 1 119 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 119 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 120 1 1 1 1 19 HIS HD2 . 19 . HD2 1 1 120 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 121 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 121 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 122 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 122 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 123 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 123 1 2 1 1 23 CYS QB . 23 . HB* 1 1 124 1 1 1 1 19 HIS HE1 . 19 . HE1 1 1 124 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 125 1 1 1 1 20 MET H . 20 . HN 1 1 125 1 2 1 1 20 MET QG . 20 . HG* 1 1 126 1 1 1 1 20 MET H . 20 . HN 1 1 126 1 2 1 1 21 THR H . 21 . HN 1 1 127 1 1 1 1 20 MET HA . 20 . HA 1 1 127 1 2 1 1 23 CYS H . 23 . HN 1 1 128 1 1 1 1 20 MET HA . 20 . HA 1 1 128 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 129 1 1 1 1 20 MET HA . 20 . HA 1 1 129 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 130 1 1 1 1 21 THR H . 21 . HN 1 1 130 1 2 1 1 21 THR HB . 21 . HB 1 1 131 1 1 1 1 21 THR H . 21 . HN 1 1 131 1 2 1 1 21 THR MG . 21 . HG2* 1 1 132 1 1 1 1 21 THR H . 21 . HN 1 1 132 1 2 1 1 22 HIS H . 22 . HN 1 1 133 1 1 1 1 21 THR HA . 21 . HA 1 1 133 1 2 1 1 21 THR HB . 21 . HB 1 1 134 1 1 1 1 21 THR HA . 21 . HA 1 1 134 1 2 1 1 21 THR MG . 21 . HG2* 1 1 135 1 1 1 1 21 THR HB . 21 . HB 1 1 135 1 2 1 1 22 HIS H . 22 . HN 1 1 136 1 1 1 1 22 HIS H . 22 . HN 1 1 136 1 2 1 1 22 HIS HA . 22 . HA 1 1 137 1 1 1 1 22 HIS H . 22 . HN 1 1 137 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 138 1 1 1 1 22 HIS H . 22 . HN 1 1 138 1 2 1 1 23 CYS H . 23 . HN 1 1 139 1 1 1 1 22 HIS HA . 22 . HA 1 1 139 1 2 1 1 23 CYS H . 23 . HN 1 1 140 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 140 1 2 1 1 23 CYS H . 23 . HN 1 1 141 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 141 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 142 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 142 1 2 1 1 23 CYS QB . 23 . HB* 1 1 143 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 143 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 144 1 1 1 1 23 CYS H . 23 . HN 1 1 144 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 145 1 1 1 1 23 CYS H . 23 . HN 1 1 145 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 146 1 1 1 1 24 ALA HA . 24 . HA 1 1 146 1 2 1 1 25 LYS H . 25 . HN 1 1 147 1 1 1 1 25 LYS H . 25 . HN 1 1 147 1 2 1 1 25 LYS QD . 25 . HD* 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 0.0 0.0 3.9 1 1 2 1 . . . . . 0.0 0.0 6.94 1 1 3 1 . . . . . 0.0 0.0 3.89 1 1 4 1 . . . . . 0.0 0.0 7.13 1 1 5 1 . . . . . 0.0 0.0 8.09 1 1 6 1 . . . . . 0.0 0.0 6.97 1 1 7 1 . . . . . 0.0 0.0 5.45 1 1 8 1 . . . . . 0.0 0.0 6.57 1 1 9 1 . . . . . 0.0 0.0 4.03 1 1 10 1 . . . . . 0.0 0.0 6.88 1 1 11 1 . . . . . 0.0 0.0 6.0 1 1 12 1 . . . . . 0.0 0.0 7.53 1 1 13 1 . . . . . 0.0 0.0 6.74 1 1 14 1 . . . . . 0.0 0.0 6.07 1 1 15 1 . . . . . 0.0 0.0 7.43 1 1 16 1 . . . . . 0.0 0.0 4.67 1 1 17 1 . . . . . 0.0 0.0 6.4 1 1 18 1 . . . . . 0.0 0.0 8.57 1 1 19 1 . . . . . 0.0 0.0 8.57 1 1 20 1 . . . . . 0.0 0.0 6.53 1 1 21 1 . . . . . 0.0 0.0 7.43 1 1 22 1 . . . . . 0.0 0.0 4.67 1 1 23 1 . . . . . 0.0 0.0 6.4 1 1 24 1 . . . . . 0.0 0.0 8.57 1 1 25 1 . . . . . 0.0 0.0 8.57 1 1 26 1 . . . . . 0.0 0.0 6.53 1 1 27 1 . . . . . 0.0 0.0 3.3 1 1 28 1 . . . . . 0.0 0.0 2.55 1 1 29 1 . . . . . 0.0 0.0 5.16 1 1 30 1 . . . . . 0.0 0.0 3.52 1 1 31 1 . . . . . 0.0 0.0 3.49 1 1 32 1 . . . . . 0.0 0.0 3.49 1 1 33 1 . . . . . 0.0 0.0 2.71 1 1 34 1 . . . . . 0.0 0.0 4.32 1 1 35 1 . . . . . 0.0 0.0 5.33 1 1 36 1 . . . . . 0.0 0.0 5.1 1 1 37 1 . . . . . 0.0 0.0 3.75 1 1 38 1 . . . . . 0.0 0.0 6.0 1 1 39 1 . . . . . 0.0 0.0 5.45 1 1 40 1 . . . . . 0.0 0.0 4.11 1 1 41 1 . . . . . 0.0 0.0 6.0 1 1 42 1 . . . . . 0.0 0.0 5.45 1 1 43 1 . . . . . 0.0 0.0 4.11 1 1 44 1 . . . . . 0.0 0.0 3.27 1 1 45 1 . . . . . 0.0 0.0 9.75 1 1 46 1 . . . . . 0.0 0.0 7.62 1 1 47 1 . . . . . 0.0 0.0 8.65 1 1 48 1 . . . . . 0.0 0.0 8.65 1 1 49 1 . . . . . 0.0 0.0 7.62 1 1 50 1 . . . . . 0.0 0.0 4.05 1 1 51 1 . . . . . 0.0 0.0 3.68 1 1 52 1 . . . . . 0.0 0.0 4.05 1 1 53 1 . . . . . 0.0 0.0 3.55 1 1 54 1 . . . . . 0.0 0.0 6.21 1 1 55 1 . . . . . 0.0 0.0 5.55 1 1 56 1 . . . . . 0.0 0.0 4.48 1 1 57 1 . . . . . 0.0 0.0 7.16 1 1 58 1 . . . . . 0.0 0.0 7.16 1 1 59 1 . . . . . 0.0 0.0 4.48 1 1 60 1 . . . . . 0.0 0.0 7.16 1 1 61 1 . . . . . 0.0 0.0 7.16 1 1 62 1 . . . . . 0.0 0.0 8.89 1 1 63 1 . . . . . 0.0 0.0 7.69 1 1 64 1 . . . . . 0.0 0.0 6.67 1 1 65 1 . . . . . 0.0 0.0 5.07 1 1 66 1 . . . . . 0.0 0.0 3.93 1 1 67 1 . . . . . 0.0 0.0 3.92 1 1 68 1 . . . . . 0.0 0.0 4.76 1 1 69 1 . . . . . 0.0 0.0 5.85 1 1 70 1 . . . . . 0.0 0.0 6.22 1 1 71 1 . . . . . 0.0 0.0 3.49 1 1 72 1 . . . . . 0.0 0.0 3.49 1 1 73 1 . . . . . 0.0 0.0 2.93 1 1 74 1 . . . . . 0.0 0.0 3.56 1 1 75 1 . . . . . 0.0 0.0 3.86 1 1 76 1 . . . . . 0.0 0.0 3.86 1 1 77 1 . . . . . 0.0 0.0 3.21 1 1 78 1 . . . . . 0.0 0.0 3.64 1 1 79 1 . . . . . 0.0 0.0 3.27 1 1 80 1 . . . . . 0.0 0.0 5.48 1 1 81 1 . . . . . 0.0 0.0 6.19 1 1 82 1 . . . . . 0.0 0.0 5.93 1 1 83 1 . . . . . 0.0 0.0 6.19 1 1 84 1 . . . . . 0.0 0.0 2.49 1 1 85 1 . . . . . 0.0 0.0 3.86 1 1 86 1 . . . . . 0.0 0.0 3.42 1 1 87 1 . . . . . 0.0 0.0 3.49 1 1 88 1 . . . . . 0.0 0.0 3.49 1 1 89 1 . . . . . 0.0 0.0 5.5 1 1 90 1 . . . . . 0.0 0.0 2.86 1 1 91 1 . . . . . 0.0 0.0 4.97 1 1 92 1 . . . . . 0.0 0.0 3.08 1 1 93 1 . . . . . 0.0 0.0 3.61 1 1 94 1 . . . . . 0.0 0.0 4.14 1 1 95 1 . . . . . 0.0 0.0 4.29 1 1 96 1 . . . . . 0.0 0.0 4.0 1 1 97 1 . . . . . 0.0 0.0 4.29 1 1 98 1 . . . . . 0.0 0.0 5.5 1 1 99 1 . . . . . 0.0 0.0 2.96 1 1 100 1 . . . . . 0.0 0.0 7.66 1 1 101 1 . . . . . 0.0 0.0 5.57 1 1 102 1 . . . . . 0.0 0.0 6.53 1 1 103 1 . . . . . 0.0 0.0 5.57 1 1 104 1 . . . . . 0.0 0.0 6.53 1 1 105 1 . . . . . 0.0 0.0 2.93 1 1 106 1 . . . . . 0.0 0.0 3.05 1 1 107 1 . . . . . 0.0 0.0 3.7 1 1 108 1 . . . . . 0.0 0.0 3.52 1 1 109 1 . . . . . 0.0 0.0 3.28 1 1 110 1 . . . . . 0.0 0.0 3.52 1 1 111 1 . . . . . 0.0 0.0 2.96 1 1 112 1 . . . . . 0.0 0.0 3.91 1 1 113 1 . . . . . 0.0 0.0 4.17 1 1 114 1 . . . . . 0.0 0.0 4.17 1 1 115 1 . . . . . 0.0 0.0 5.22 1 1 116 1 . . . . . 0.0 0.0 4.51 1 1 117 1 . . . . . 0.0 0.0 6.88 1 1 118 1 . . . . . 0.0 0.0 6.19 1 1 119 1 . . . . . 0.0 0.0 4.51 1 1 120 1 . . . . . 0.0 0.0 4.51 1 1 121 1 . . . . . 0.0 0.0 4.2 1 1 122 1 . . . . . 0.0 0.0 5.66 1 1 123 1 . . . . . 0.0 0.0 5.04 1 1 124 1 . . . . . 0.0 0.0 5.66 1 1 125 1 . . . . . 0.0 0.0 4.49 1 1 126 1 . . . . . 0.0 0.0 3.39 1 1 127 1 . . . . . 0.0 0.0 3.27 1 1 128 1 . . . . . 0.0 0.0 3.55 1 1 129 1 . . . . . 0.0 0.0 3.55 1 1 130 1 . . . . . 0.0 0.0 3.33 1 1 131 1 . . . . . 0.0 0.0 4.11 1 1 132 1 . . . . . 0.0 0.0 3.05 1 1 133 1 . . . . . 0.0 0.0 2.65 1 1 134 1 . . . . . 0.0 0.0 3.61 1 1 135 1 . . . . . 0.0 0.0 4.07 1 1 136 1 . . . . . 0.0 0.0 2.8 1 1 137 1 . . . . . 0.0 0.0 5.5 1 1 138 1 . . . . . 0.0 0.0 2.55 1 1 139 1 . . . . . 0.0 0.0 3.17 1 1 140 1 . . . . . 0.0 0.0 4.66 1 1 141 1 . . . . . 0.0 0.0 4.92 1 1 142 1 . . . . . 0.0 0.0 4.7 1 1 143 1 . . . . . 0.0 0.0 4.92 1 1 144 1 . . . . . 0.0 0.0 3.46 1 1 145 1 . . . . . 0.0 0.0 3.46 1 1 146 1 . . . . . 0.0 0.0 3.14 1 1 147 1 . . . . . 0.0 0.0 5.32 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ARG C C -3.319 -1.764 5.996 1.00 . A A . 1 ARG C 1 1 1 2 1 1 1 ARG CA C -3.006 -1.247 7.396 1.00 . A A . 1 ARG CA 1 1 1 3 1 1 1 ARG CB C -3.773 0.050 7.664 1.00 . A A . 1 ARG CB 1 1 1 4 1 1 1 ARG CD C -5.085 -0.295 9.779 1.00 . A A . 1 ARG CD 1 1 1 5 1 1 1 ARG CG C -5.151 -0.172 8.265 1.00 . A A . 1 ARG CG 1 1 1 6 1 1 1 ARG CZ C -4.869 -2.716 10.185 1.00 . A A . 1 ARG CZ 1 1 1 7 1 1 1 ARG H1 H -1.035 -1.771 7.130 1.00 . A A . 1 ARG H1 1 1 1 8 1 1 1 ARG H2 H -1.357 -0.911 8.580 1.00 . A A . 1 ARG H2 1 1 1 9 1 1 1 ARG H3 H -1.339 -0.085 7.076 1.00 . A A . 1 ARG H3 1 1 1 10 1 1 1 ARG HA H -3.303 -1.990 8.122 1.00 . A A . 1 ARG HA 1 1 1 11 1 1 1 ARG HB2 H -3.200 0.660 8.345 1.00 . A A . 1 ARG HB2 1 1 1 12 1 1 1 ARG HB3 H -3.893 0.581 6.732 1.00 . A A . 1 ARG HB3 1 1 1 13 1 1 1 ARG HD2 H -4.588 0.577 10.177 1.00 . A A . 1 ARG HD2 1 1 1 14 1 1 1 ARG HD3 H -6.091 -0.345 10.167 1.00 . A A . 1 ARG HD3 1 1 1 15 1 1 1 ARG HE H -3.432 -1.370 10.507 1.00 . A A . 1 ARG HE 1 1 1 16 1 1 1 ARG HG2 H -5.783 0.666 8.011 1.00 . A A . 1 ARG HG2 1 1 1 17 1 1 1 ARG HG3 H -5.570 -1.079 7.857 1.00 . A A . 1 ARG HG3 1 1 1 18 1 1 1 ARG HH11 H -6.674 -2.144 9.472 1.00 . A A . 1 ARG HH11 1 1 1 19 1 1 1 ARG HH12 H -6.497 -3.841 9.765 1.00 . A A . 1 ARG HH12 1 1 1 20 1 1 1 ARG HH21 H -3.197 -3.602 10.893 1.00 . A A . 1 ARG HH21 1 1 1 21 1 1 1 ARG HH22 H -4.523 -4.670 10.572 1.00 . A A . 1 ARG HH22 1 1 1 22 1 1 1 ARG N N -1.554 -0.980 7.560 1.00 . A A . 1 ARG N 1 1 1 23 1 1 1 ARG NE N -4.354 -1.489 10.198 1.00 . A A . 1 ARG NE 1 1 1 24 1 1 1 ARG NH1 N -6.115 -2.916 9.774 1.00 . A A . 1 ARG NH1 1 1 1 25 1 1 1 ARG NH2 N -4.136 -3.747 10.582 1.00 . A A . 1 ARG NH2 1 1 1 26 1 1 1 ARG O O -4.271 -2.521 5.804 1.00 . A A . 1 ARG O 1 1 1 27 1 1 2 VAL C C -4.165 -1.704 3.216 1.00 . A A . 2 VAL C 1 1 1 28 1 1 2 VAL CA C -2.694 -1.762 3.630 1.00 . A A . 2 VAL CA 1 1 1 29 1 1 2 VAL CB C -2.148 -3.186 3.389 1.00 . A A . 2 VAL CB 1 1 1 30 1 1 2 VAL CG1 C -2.950 -4.217 4.170 1.00 . A A . 2 VAL CG1 1 1 1 31 1 1 2 VAL CG2 C -2.146 -3.515 1.903 1.00 . A A . 2 VAL CG2 1 1 1 32 1 1 2 VAL H H -1.775 -0.743 5.243 1.00 . A A . 2 VAL H 1 1 1 33 1 1 2 VAL HA H -2.134 -1.079 3.009 1.00 . A A . 2 VAL HA 1 1 1 34 1 1 2 VAL HB H -1.128 -3.219 3.741 1.00 . A A . 2 VAL HB 1 1 1 35 1 1 2 VAL HG11 H -4.002 -4.086 3.964 1.00 . A A . 2 VAL HG11 1 1 1 36 1 1 2 VAL HG12 H -2.770 -4.088 5.227 1.00 . A A . 2 VAL HG12 1 1 1 37 1 1 2 VAL HG13 H -2.646 -5.210 3.871 1.00 . A A . 2 VAL HG13 1 1 1 38 1 1 2 VAL HG21 H -3.095 -3.952 1.630 1.00 . A A . 2 VAL HG21 1 1 1 39 1 1 2 VAL HG22 H -1.353 -4.217 1.691 1.00 . A A . 2 VAL HG22 1 1 1 40 1 1 2 VAL HG23 H -1.989 -2.610 1.334 1.00 . A A . 2 VAL HG23 1 1 1 41 1 1 2 VAL N N -2.513 -1.347 5.022 1.00 . A A . 2 VAL N 1 1 1 42 1 1 2 VAL O O -4.617 -2.487 2.380 1.00 . A A . 2 VAL O 1 1 1 43 1 1 3 ILE C C -6.518 0.364 2.340 1.00 . A A . 3 ILE C 1 1 1 44 1 1 3 ILE CA C -6.318 -0.607 3.499 1.00 . A A . 3 ILE CA 1 1 1 45 1 1 3 ILE CB C -7.107 -0.105 4.725 1.00 . A A . 3 ILE CB 1 1 1 46 1 1 3 ILE CD1 C -9.482 -0.472 5.568 1.00 . A A . 3 ILE CD1 1 1 1 47 1 1 3 ILE CG1 C -8.604 -0.047 4.412 1.00 . A A . 3 ILE CG1 1 1 1 48 1 1 3 ILE CG2 C -6.600 1.261 5.165 1.00 . A A . 3 ILE CG2 1 1 1 49 1 1 3 ILE H H -4.485 -0.175 4.463 1.00 . A A . 3 ILE H 1 1 1 50 1 1 3 ILE HA H -6.711 -1.574 3.216 1.00 . A A . 3 ILE HA 1 1 1 51 1 1 3 ILE HB H -6.946 -0.798 5.536 1.00 . A A . 3 ILE HB 1 1 1 52 1 1 3 ILE HD11 H -10.184 -1.221 5.232 1.00 . A A . 3 ILE HD11 1 1 1 53 1 1 3 ILE HD12 H -10.022 0.385 5.944 1.00 . A A . 3 ILE HD12 1 1 1 54 1 1 3 ILE HD13 H -8.867 -0.883 6.355 1.00 . A A . 3 ILE HD13 1 1 1 55 1 1 3 ILE HG12 H -8.872 0.966 4.148 1.00 . A A . 3 ILE HG12 1 1 1 56 1 1 3 ILE HG13 H -8.816 -0.699 3.577 1.00 . A A . 3 ILE HG13 1 1 1 57 1 1 3 ILE HG21 H -5.556 1.188 5.432 1.00 . A A . 3 ILE HG21 1 1 1 58 1 1 3 ILE HG22 H -7.167 1.597 6.020 1.00 . A A . 3 ILE HG22 1 1 1 59 1 1 3 ILE HG23 H -6.715 1.966 4.356 1.00 . A A . 3 ILE HG23 1 1 1 60 1 1 3 ILE N N -4.903 -0.771 3.807 1.00 . A A . 3 ILE N 1 1 1 61 1 1 3 ILE O O -7.383 0.161 1.487 1.00 . A A . 3 ILE O 1 1 1 62 1 1 4 ALA C C -5.463 1.813 -0.103 1.00 . A A . 4 ALA C 1 1 1 63 1 1 4 ALA CA C -5.794 2.420 1.258 1.00 . A A . 4 ALA CA 1 1 1 64 1 1 4 ALA CB C -4.862 3.584 1.558 1.00 . A A . 4 ALA CB 1 1 1 65 1 1 4 ALA H H -5.038 1.524 3.019 1.00 . A A . 4 ALA H 1 1 1 66 1 1 4 ALA HA H -6.806 2.796 1.235 1.00 . A A . 4 ALA HA 1 1 1 67 1 1 4 ALA HB1 H -3.868 3.209 1.751 1.00 . A A . 4 ALA HB1 1 1 1 68 1 1 4 ALA HB2 H -5.221 4.116 2.428 1.00 . A A . 4 ALA HB2 1 1 1 69 1 1 4 ALA HB3 H -4.836 4.253 0.712 1.00 . A A . 4 ALA HB3 1 1 1 70 1 1 4 ALA N N -5.709 1.418 2.313 1.00 . A A . 4 ALA N 1 1 1 71 1 1 4 ALA O O -5.916 2.300 -1.138 1.00 . A A . 4 ALA O 1 1 1 72 1 1 5 CYS C C -5.504 -0.360 -2.124 1.00 . A A . 5 CYS C 1 1 1 73 1 1 5 CYS CA C -4.277 0.069 -1.324 1.00 . A A . 5 CYS CA 1 1 1 74 1 1 5 CYS CB C -3.410 -1.150 -1.002 1.00 . A A . 5 CYS CB 1 1 1 75 1 1 5 CYS H H -4.340 0.403 0.765 1.00 . A A . 5 CYS H 1 1 1 76 1 1 5 CYS HA H -3.700 0.764 -1.915 1.00 . A A . 5 CYS HA 1 1 1 77 1 1 5 CYS HB2 H -2.651 -0.864 -0.290 1.00 . A A . 5 CYS HB2 1 1 1 78 1 1 5 CYS HB3 H -4.032 -1.919 -0.567 1.00 . A A . 5 CYS HB3 1 1 1 79 1 1 5 CYS N N -4.669 0.745 -0.092 1.00 . A A . 5 CYS N 1 1 1 80 1 1 5 CYS O O -6.293 -1.190 -1.673 1.00 . A A . 5 CYS O 1 1 1 81 1 1 5 CYS SG S -2.568 -1.869 -2.450 1.00 . A A . 5 CYS SG 1 1 1 82 1 1 6 PHE C C -6.397 -1.135 -5.235 1.00 . A A . 6 PHE C 1 1 1 83 1 1 6 PHE CA C -6.789 -0.108 -4.177 1.00 . A A . 6 PHE CA 1 1 1 84 1 1 6 PHE CB C -7.315 1.159 -4.852 1.00 . A A . 6 PHE CB 1 1 1 85 1 1 6 PHE CD1 C -5.383 2.710 -5.252 1.00 . A A . 6 PHE CD1 1 1 1 86 1 1 6 PHE CD2 C -6.304 1.542 -7.116 1.00 . A A . 6 PHE CD2 1 1 1 87 1 1 6 PHE CE1 C -4.461 3.316 -6.083 1.00 . A A . 6 PHE CE1 1 1 1 88 1 1 6 PHE CE2 C -5.384 2.145 -7.953 1.00 . A A . 6 PHE CE2 1 1 1 89 1 1 6 PHE CG C -6.315 1.817 -5.758 1.00 . A A . 6 PHE CG 1 1 1 90 1 1 6 PHE CZ C -4.461 3.034 -7.435 1.00 . A A . 6 PHE CZ 1 1 1 91 1 1 6 PHE H H -4.994 0.867 -3.618 1.00 . A A . 6 PHE H 1 1 1 92 1 1 6 PHE HA H -7.569 -0.526 -3.558 1.00 . A A . 6 PHE HA 1 1 1 93 1 1 6 PHE HB2 H -8.184 0.909 -5.443 1.00 . A A . 6 PHE HB2 1 1 1 94 1 1 6 PHE HB3 H -7.597 1.873 -4.092 1.00 . A A . 6 PHE HB3 1 1 1 95 1 1 6 PHE HD1 H -5.382 2.931 -4.195 1.00 . A A . 6 PHE HD1 1 1 1 96 1 1 6 PHE HD2 H -7.026 0.848 -7.522 1.00 . A A . 6 PHE HD2 1 1 1 97 1 1 6 PHE HE1 H -3.740 4.010 -5.676 1.00 . A A . 6 PHE HE1 1 1 1 98 1 1 6 PHE HE2 H -5.386 1.923 -9.010 1.00 . A A . 6 PHE HE2 1 1 1 99 1 1 6 PHE HZ H -3.741 3.506 -8.087 1.00 . A A . 6 PHE HZ 1 1 1 100 1 1 6 PHE N N -5.657 0.212 -3.314 1.00 . A A . 6 PHE N 1 1 1 101 1 1 6 PHE O O -6.931 -1.132 -6.344 1.00 . A A . 6 PHE O 1 1 1 102 1 1 7 LEU C C -5.250 -4.438 -5.233 1.00 . A A . 7 LEU C 1 1 1 103 1 1 7 LEU CA C -5.001 -3.045 -5.805 1.00 . A A . 7 LEU CA 1 1 1 104 1 1 7 LEU CB C -3.512 -2.861 -6.103 1.00 . A A . 7 LEU CB 1 1 1 105 1 1 7 LEU CD1 C -1.707 -1.633 -7.335 1.00 . A A . 7 LEU CD1 1 1 1 106 1 1 7 LEU CD2 C -3.677 -2.536 -8.583 1.00 . A A . 7 LEU CD2 1 1 1 107 1 1 7 LEU CG C -3.197 -1.928 -7.274 1.00 . A A . 7 LEU CG 1 1 1 108 1 1 7 LEU H H -5.074 -1.965 -3.987 1.00 . A A . 7 LEU H 1 1 1 109 1 1 7 LEU HA H -5.558 -2.942 -6.726 1.00 . A A . 7 LEU HA 1 1 1 110 1 1 7 LEU HB2 H -3.036 -2.466 -5.217 1.00 . A A . 7 LEU HB2 1 1 1 111 1 1 7 LEU HB3 H -3.087 -3.829 -6.320 1.00 . A A . 7 LEU HB3 1 1 1 112 1 1 7 LEU HD11 H -1.340 -1.421 -6.342 1.00 . A A . 7 LEU HD11 1 1 1 113 1 1 7 LEU HD12 H -1.534 -0.778 -7.972 1.00 . A A . 7 LEU HD12 1 1 1 114 1 1 7 LEU HD13 H -1.187 -2.491 -7.736 1.00 . A A . 7 LEU HD13 1 1 1 115 1 1 7 LEU HD21 H -2.855 -3.041 -9.068 1.00 . A A . 7 LEU HD21 1 1 1 116 1 1 7 LEU HD22 H -4.050 -1.755 -9.228 1.00 . A A . 7 LEU HD22 1 1 1 117 1 1 7 LEU HD23 H -4.467 -3.245 -8.382 1.00 . A A . 7 LEU HD23 1 1 1 118 1 1 7 LEU HG H -3.717 -0.992 -7.128 1.00 . A A . 7 LEU HG 1 1 1 119 1 1 7 LEU N N -5.463 -2.012 -4.885 1.00 . A A . 7 LEU N 1 1 1 120 1 1 7 LEU O O -5.646 -4.582 -4.077 1.00 . A A . 7 LEU O 1 1 1 121 1 1 8 LYS C C -3.913 -7.453 -5.127 1.00 . A A . 8 LYS C 1 1 1 122 1 1 8 LYS CA C -5.217 -6.839 -5.626 1.00 . A A . 8 LYS CA 1 1 1 123 1 1 8 LYS CB C -5.777 -7.673 -6.780 1.00 . A A . 8 LYS CB 1 1 1 124 1 1 8 LYS CD C -7.248 -6.302 -8.286 1.00 . A A . 8 LYS CD 1 1 1 125 1 1 8 LYS CE C -8.554 -6.382 -9.058 1.00 . A A . 8 LYS CE 1 1 1 126 1 1 8 LYS CG C -7.206 -7.314 -7.153 1.00 . A A . 8 LYS CG 1 1 1 127 1 1 8 LYS H H -4.703 -5.279 -6.962 1.00 . A A . 8 LYS H 1 1 1 128 1 1 8 LYS HA H -5.932 -6.836 -4.818 1.00 . A A . 8 LYS HA 1 1 1 129 1 1 8 LYS HB2 H -5.153 -7.528 -7.649 1.00 . A A . 8 LYS HB2 1 1 1 130 1 1 8 LYS HB3 H -5.752 -8.716 -6.501 1.00 . A A . 8 LYS HB3 1 1 1 131 1 1 8 LYS HD2 H -7.145 -5.309 -7.874 1.00 . A A . 8 LYS HD2 1 1 1 132 1 1 8 LYS HD3 H -6.428 -6.498 -8.962 1.00 . A A . 8 LYS HD3 1 1 1 133 1 1 8 LYS HE2 H -8.994 -7.355 -8.897 1.00 . A A . 8 LYS HE2 1 1 1 134 1 1 8 LYS HE3 H -9.224 -5.620 -8.687 1.00 . A A . 8 LYS HE3 1 1 1 135 1 1 8 LYS HG2 H -7.722 -8.209 -7.465 1.00 . A A . 8 LYS HG2 1 1 1 136 1 1 8 LYS HG3 H -7.699 -6.894 -6.288 1.00 . A A . 8 LYS HG3 1 1 1 137 1 1 8 LYS HZ1 H -7.683 -5.398 -10.682 1.00 . A A . 8 LYS HZ1 1 1 1 138 1 1 8 LYS HZ2 H -9.254 -5.951 -10.978 1.00 . A A . 8 LYS HZ2 1 1 1 139 1 1 8 LYS HZ3 H -7.966 -7.046 -10.949 1.00 . A A . 8 LYS HZ3 1 1 1 140 1 1 8 LYS N N -5.016 -5.459 -6.051 1.00 . A A . 8 LYS N 1 1 1 141 1 1 8 LYS NZ N -8.351 -6.180 -10.519 1.00 . A A . 8 LYS NZ 1 1 1 142 1 1 8 LYS O O -3.715 -7.620 -3.924 1.00 . A A . 8 LYS O 1 1 1 143 1 1 9 VAL C C -0.947 -7.479 -4.775 1.00 . A A . 9 VAL C 1 1 1 144 1 1 9 VAL CA C -1.741 -8.384 -5.715 1.00 . A A . 9 VAL CA 1 1 1 145 1 1 9 VAL CB C -0.900 -8.670 -6.974 1.00 . A A . 9 VAL CB 1 1 1 146 1 1 9 VAL CG1 C -0.599 -7.382 -7.724 1.00 . A A . 9 VAL CG1 1 1 1 147 1 1 9 VAL CG2 C 0.386 -9.396 -6.608 1.00 . A A . 9 VAL CG2 1 1 1 148 1 1 9 VAL H H -3.242 -7.630 -7.002 1.00 . A A . 9 VAL H 1 1 1 149 1 1 9 VAL HA H -1.934 -9.322 -5.215 1.00 . A A . 9 VAL HA 1 1 1 150 1 1 9 VAL HB H -1.474 -9.312 -7.626 1.00 . A A . 9 VAL HB 1 1 1 151 1 1 9 VAL HG11 H -0.094 -6.690 -7.066 1.00 . A A . 9 VAL HG11 1 1 1 152 1 1 9 VAL HG12 H -1.523 -6.941 -8.069 1.00 . A A . 9 VAL HG12 1 1 1 153 1 1 9 VAL HG13 H 0.035 -7.598 -8.572 1.00 . A A . 9 VAL HG13 1 1 1 154 1 1 9 VAL HG21 H 0.712 -9.996 -7.444 1.00 . A A . 9 VAL HG21 1 1 1 155 1 1 9 VAL HG22 H 0.210 -10.033 -5.753 1.00 . A A . 9 VAL HG22 1 1 1 156 1 1 9 VAL HG23 H 1.152 -8.672 -6.365 1.00 . A A . 9 VAL HG23 1 1 1 157 1 1 9 VAL N N -3.026 -7.787 -6.059 1.00 . A A . 9 VAL N 1 1 1 158 1 1 9 VAL O O -0.243 -7.956 -3.885 1.00 . A A . 9 VAL O 1 1 1 159 1 1 10 CYS C C -0.817 -5.289 -2.701 1.00 . A A . 10 CYS C 1 1 1 160 1 1 10 CYS CA C -0.361 -5.199 -4.154 1.00 . A A . 10 CYS CA 1 1 1 161 1 1 10 CYS CB C -0.593 -3.785 -4.687 1.00 . A A . 10 CYS CB 1 1 1 162 1 1 10 CYS H H -1.643 -5.853 -5.707 1.00 . A A . 10 CYS H 1 1 1 163 1 1 10 CYS HA H 0.693 -5.425 -4.203 1.00 . A A . 10 CYS HA 1 1 1 164 1 1 10 CYS HB2 H -0.566 -3.806 -5.766 1.00 . A A . 10 CYS HB2 1 1 1 165 1 1 10 CYS HB3 H -1.564 -3.443 -4.364 1.00 . A A . 10 CYS HB3 1 1 1 166 1 1 10 CYS N N -1.067 -6.172 -4.982 1.00 . A A . 10 CYS N 1 1 1 167 1 1 10 CYS O O -0.011 -5.524 -1.802 1.00 . A A . 10 CYS O 1 1 1 168 1 1 10 CYS SG S 0.640 -2.566 -4.127 1.00 . A A . 10 CYS SG 1 1 1 169 1 1 11 ALA C C -2.679 -6.588 -0.604 1.00 . A A . 11 ALA C 1 1 1 170 1 1 11 ALA CA C -2.677 -5.160 -1.138 1.00 . A A . 11 ALA CA 1 1 1 171 1 1 11 ALA CB C -4.088 -4.591 -1.133 1.00 . A A . 11 ALA CB 1 1 1 172 1 1 11 ALA H H -2.705 -4.917 -3.240 1.00 . A A . 11 ALA H 1 1 1 173 1 1 11 ALA HA H -2.066 -4.545 -0.492 1.00 . A A . 11 ALA HA 1 1 1 174 1 1 11 ALA HB1 H -4.213 -3.932 -1.980 1.00 . A A . 11 ALA HB1 1 1 1 175 1 1 11 ALA HB2 H -4.251 -4.038 -0.220 1.00 . A A . 11 ALA HB2 1 1 1 176 1 1 11 ALA HB3 H -4.802 -5.399 -1.197 1.00 . A A . 11 ALA HB3 1 1 1 177 1 1 11 ALA N N -2.114 -5.100 -2.481 1.00 . A A . 11 ALA N 1 1 1 178 1 1 11 ALA O O -2.598 -6.809 0.605 1.00 . A A . 11 ALA O 1 1 1 179 1 1 12 ALA C C -1.374 -9.527 -0.985 1.00 . A A . 12 ALA C 1 1 1 180 1 1 12 ALA CA C -2.788 -8.966 -1.132 1.00 . A A . 12 ALA CA 1 1 1 181 1 1 12 ALA CB C -3.571 -9.774 -2.156 1.00 . A A . 12 ALA CB 1 1 1 182 1 1 12 ALA H H -2.837 -7.316 -2.459 1.00 . A A . 12 ALA H 1 1 1 183 1 1 12 ALA HA H -3.296 -9.048 -0.183 1.00 . A A . 12 ALA HA 1 1 1 184 1 1 12 ALA HB1 H -3.878 -10.711 -1.715 1.00 . A A . 12 ALA HB1 1 1 1 185 1 1 12 ALA HB2 H -2.947 -9.969 -3.015 1.00 . A A . 12 ALA HB2 1 1 1 186 1 1 12 ALA HB3 H -4.444 -9.218 -2.463 1.00 . A A . 12 ALA HB3 1 1 1 187 1 1 12 ALA N N -2.774 -7.556 -1.511 1.00 . A A . 12 ALA N 1 1 1 188 1 1 12 ALA O O -1.127 -10.690 -1.304 1.00 . A A . 12 ALA O 1 1 1 189 1 1 13 ALA C C 1.273 -9.300 1.166 1.00 . A A . 13 ALA C 1 1 1 190 1 1 13 ALA CA C 0.931 -9.132 -0.314 1.00 . A A . 13 ALA CA 1 1 1 191 1 1 13 ALA CB C 1.883 -8.141 -0.966 1.00 . A A . 13 ALA CB 1 1 1 192 1 1 13 ALA H H -0.700 -7.788 -0.260 1.00 . A A . 13 ALA H 1 1 1 193 1 1 13 ALA HA H 1.050 -10.084 -0.806 1.00 . A A . 13 ALA HA 1 1 1 194 1 1 13 ALA HB1 H 1.589 -7.135 -0.706 1.00 . A A . 13 ALA HB1 1 1 1 195 1 1 13 ALA HB2 H 1.846 -8.260 -2.039 1.00 . A A . 13 ALA HB2 1 1 1 196 1 1 13 ALA HB3 H 2.888 -8.324 -0.618 1.00 . A A . 13 ALA HB3 1 1 1 197 1 1 13 ALA N N -0.450 -8.703 -0.499 1.00 . A A . 13 ALA N 1 1 1 198 1 1 13 ALA O O 2.369 -9.743 1.511 1.00 . A A . 13 ALA O 1 1 1 199 1 1 14 ALA C C 1.814 -8.356 3.916 1.00 . A A . 14 ALA C 1 1 1 200 1 1 14 ALA CA C 0.534 -9.060 3.476 1.00 . A A . 14 ALA CA 1 1 1 201 1 1 14 ALA CB C 0.567 -10.524 3.888 1.00 . A A . 14 ALA CB 1 1 1 202 1 1 14 ALA H H -0.521 -8.601 1.702 1.00 . A A . 14 ALA H 1 1 1 203 1 1 14 ALA HA H -0.307 -8.593 3.968 1.00 . A A . 14 ALA HA 1 1 1 204 1 1 14 ALA HB1 H 1.590 -10.870 3.906 1.00 . A A . 14 ALA HB1 1 1 1 205 1 1 14 ALA HB2 H 0.002 -11.111 3.179 1.00 . A A . 14 ALA HB2 1 1 1 206 1 1 14 ALA HB3 H 0.134 -10.632 4.872 1.00 . A A . 14 ALA HB3 1 1 1 207 1 1 14 ALA N N 0.330 -8.946 2.036 1.00 . A A . 14 ALA N 1 1 1 208 1 1 14 ALA O O 2.427 -8.730 4.916 1.00 . A A . 14 ALA O 1 1 1 209 1 1 15 ASN C C 3.179 -5.082 3.315 1.00 . A A . 15 ASN C 1 1 1 210 1 1 15 ASN CA C 3.420 -6.580 3.478 1.00 . A A . 15 ASN CA 1 1 1 211 1 1 15 ASN CB C 4.577 -7.032 2.581 1.00 . A A . 15 ASN CB 1 1 1 212 1 1 15 ASN CG C 5.830 -7.351 3.373 1.00 . A A . 15 ASN CG 1 1 1 213 1 1 15 ASN H H 1.683 -7.084 2.379 1.00 . A A . 15 ASN H 1 1 1 214 1 1 15 ASN HA H 3.676 -6.781 4.508 1.00 . A A . 15 ASN HA 1 1 1 215 1 1 15 ASN HB2 H 4.281 -7.919 2.042 1.00 . A A . 15 ASN HB2 1 1 1 216 1 1 15 ASN HB3 H 4.809 -6.248 1.876 1.00 . A A . 15 ASN HB3 1 1 1 217 1 1 15 ASN HD21 H 5.529 -5.768 4.537 1.00 . A A . 15 ASN HD21 1 1 1 218 1 1 15 ASN HD22 H 6.932 -6.708 4.899 1.00 . A A . 15 ASN HD22 1 1 1 219 1 1 15 ASN N N 2.213 -7.336 3.163 1.00 . A A . 15 ASN N 1 1 1 220 1 1 15 ASN ND2 N 6.127 -6.526 4.371 1.00 . A A . 15 ASN ND2 1 1 1 221 1 1 15 ASN O O 3.600 -4.476 2.331 1.00 . A A . 15 ASN O 1 1 1 222 1 1 15 ASN OD1 O 6.524 -8.328 3.092 1.00 . A A . 15 ASN OD1 1 1 1 223 1 1 16 VAL C C 3.463 -2.231 4.170 1.00 . A A . 16 VAL C 1 1 1 224 1 1 16 VAL CA C 2.190 -3.065 4.255 1.00 . A A . 16 VAL CA 1 1 1 225 1 1 16 VAL CB C 1.391 -2.631 5.499 1.00 . A A . 16 VAL CB 1 1 1 226 1 1 16 VAL CG1 C 0.870 -1.211 5.329 1.00 . A A . 16 VAL CG1 1 1 1 227 1 1 16 VAL CG2 C 0.247 -3.600 5.771 1.00 . A A . 16 VAL CG2 1 1 1 228 1 1 16 VAL H H 2.181 -5.028 5.047 1.00 . A A . 16 VAL H 1 1 1 229 1 1 16 VAL HA H 1.587 -2.873 3.379 1.00 . A A . 16 VAL HA 1 1 1 230 1 1 16 VAL HB H 2.055 -2.645 6.350 1.00 . A A . 16 VAL HB 1 1 1 231 1 1 16 VAL HG11 H 0.058 -1.209 4.616 1.00 . A A . 16 VAL HG11 1 1 1 232 1 1 16 VAL HG12 H 1.665 -0.576 4.969 1.00 . A A . 16 VAL HG12 1 1 1 233 1 1 16 VAL HG13 H 0.515 -0.841 6.279 1.00 . A A . 16 VAL HG13 1 1 1 234 1 1 16 VAL HG21 H -0.695 -3.081 5.678 1.00 . A A . 16 VAL HG21 1 1 1 235 1 1 16 VAL HG22 H 0.342 -3.996 6.771 1.00 . A A . 16 VAL HG22 1 1 1 236 1 1 16 VAL HG23 H 0.283 -4.410 5.058 1.00 . A A . 16 VAL HG23 1 1 1 237 1 1 16 VAL N N 2.493 -4.492 4.289 1.00 . A A . 16 VAL N 1 1 1 238 1 1 16 VAL O O 3.626 -1.420 3.258 1.00 . A A . 16 VAL O 1 1 1 239 1 1 17 ALA C C 6.376 -1.834 3.840 1.00 . A A . 17 ALA C 1 1 1 240 1 1 17 ALA CA C 5.623 -1.698 5.160 1.00 . A A . 17 ALA CA 1 1 1 241 1 1 17 ALA CB C 6.487 -2.181 6.315 1.00 . A A . 17 ALA CB 1 1 1 242 1 1 17 ALA H H 4.178 -3.093 5.828 1.00 . A A . 17 ALA H 1 1 1 243 1 1 17 ALA HA H 5.394 -0.654 5.324 1.00 . A A . 17 ALA HA 1 1 1 244 1 1 17 ALA HB1 H 5.857 -2.426 7.157 1.00 . A A . 17 ALA HB1 1 1 1 245 1 1 17 ALA HB2 H 7.179 -1.401 6.598 1.00 . A A . 17 ALA HB2 1 1 1 246 1 1 17 ALA HB3 H 7.039 -3.057 6.010 1.00 . A A . 17 ALA HB3 1 1 1 247 1 1 17 ALA N N 4.364 -2.434 5.127 1.00 . A A . 17 ALA N 1 1 1 248 1 1 17 ALA O O 7.110 -0.932 3.438 1.00 . A A . 17 ALA O 1 1 1 249 1 1 18 ALA C C 6.051 -2.608 0.745 1.00 . A A . 18 ALA C 1 1 1 250 1 1 18 ALA CA C 6.842 -3.217 1.896 1.00 . A A . 18 ALA CA 1 1 1 251 1 1 18 ALA CB C 7.024 -4.712 1.681 1.00 . A A . 18 ALA CB 1 1 1 252 1 1 18 ALA H H 5.586 -3.646 3.543 1.00 . A A . 18 ALA H 1 1 1 253 1 1 18 ALA HA H 7.821 -2.760 1.930 1.00 . A A . 18 ALA HA 1 1 1 254 1 1 18 ALA HB1 H 7.969 -4.894 1.191 1.00 . A A . 18 ALA HB1 1 1 1 255 1 1 18 ALA HB2 H 6.221 -5.088 1.065 1.00 . A A . 18 ALA HB2 1 1 1 256 1 1 18 ALA HB3 H 7.011 -5.217 2.636 1.00 . A A . 18 ALA HB3 1 1 1 257 1 1 18 ALA N N 6.185 -2.965 3.171 1.00 . A A . 18 ALA N 1 1 1 258 1 1 18 ALA O O 6.626 -2.127 -0.232 1.00 . A A . 18 ALA O 1 1 1 259 1 1 19 HIS C C 3.856 -0.551 -0.117 1.00 . A A . 19 HIS C 1 1 1 260 1 1 19 HIS CA C 3.854 -2.080 -0.162 1.00 . A A . 19 HIS CA 1 1 1 261 1 1 19 HIS CB C 2.426 -2.631 0.008 1.00 . A A . 19 HIS CB 1 1 1 262 1 1 19 HIS CD2 C 1.129 -0.862 1.369 1.00 . A A . 19 HIS CD2 1 1 1 263 1 1 19 HIS CE1 C -0.263 -0.273 -0.191 1.00 . A A . 19 HIS CE1 1 1 1 264 1 1 19 HIS CG C 1.379 -1.585 0.249 1.00 . A A . 19 HIS CG 1 1 1 265 1 1 19 HIS H H 4.329 -3.027 1.670 1.00 . A A . 19 HIS H 1 1 1 266 1 1 19 HIS HA H 4.238 -2.396 -1.119 1.00 . A A . 19 HIS HA 1 1 1 267 1 1 19 HIS HB2 H 2.152 -3.169 -0.882 1.00 . A A . 19 HIS HB2 1 1 1 268 1 1 19 HIS HB3 H 2.414 -3.311 0.847 1.00 . A A . 19 HIS HB3 1 1 1 269 1 1 19 HIS HD2 H 1.661 -0.915 2.303 1.00 . A A . 19 HIS HD2 1 1 1 270 1 1 19 HIS HE1 H -1.038 0.253 -0.721 1.00 . A A . 19 HIS HE1 1 1 1 271 1 1 19 HIS HE2 H -0.212 0.732 1.622 1.00 . A A . 19 HIS HE2 1 1 1 272 1 1 19 HIS N N 4.727 -2.630 0.867 1.00 . A A . 19 HIS N 1 1 1 273 1 1 19 HIS ND1 N 0.493 -1.204 -0.731 1.00 . A A . 19 HIS ND1 1 1 1 274 1 1 19 HIS NE2 N 0.082 -0.031 1.080 1.00 . A A . 19 HIS NE2 1 1 1 275 1 1 19 HIS O O 3.758 0.114 -1.147 1.00 . A A . 19 HIS O 1 1 1 276 1 1 20 MET C C 4.907 2.147 0.303 1.00 . A A . 20 MET C 1 1 1 277 1 1 20 MET CA C 3.966 1.446 1.284 1.00 . A A . 20 MET CA 1 1 1 278 1 1 20 MET CB C 4.373 1.782 2.720 1.00 . A A . 20 MET CB 1 1 1 279 1 1 20 MET CE C 1.760 3.579 5.278 1.00 . A A . 20 MET CE 1 1 1 280 1 1 20 MET CG C 3.203 1.825 3.689 1.00 . A A . 20 MET CG 1 1 1 281 1 1 20 MET H H 4.028 -0.590 1.871 1.00 . A A . 20 MET H 1 1 1 282 1 1 20 MET HA H 2.962 1.804 1.114 1.00 . A A . 20 MET HA 1 1 1 283 1 1 20 MET HB2 H 5.073 1.037 3.068 1.00 . A A . 20 MET HB2 1 1 1 284 1 1 20 MET HB3 H 4.855 2.749 2.728 1.00 . A A . 20 MET HB3 1 1 1 285 1 1 20 MET HE1 H 1.073 2.835 4.902 1.00 . A A . 20 MET HE1 1 1 1 286 1 1 20 MET HE2 H 1.602 4.511 4.756 1.00 . A A . 20 MET HE2 1 1 1 287 1 1 20 MET HE3 H 1.590 3.724 6.334 1.00 . A A . 20 MET HE3 1 1 1 288 1 1 20 MET HG2 H 2.309 2.088 3.142 1.00 . A A . 20 MET HG2 1 1 1 289 1 1 20 MET HG3 H 3.079 0.845 4.127 1.00 . A A . 20 MET HG3 1 1 1 290 1 1 20 MET N N 3.960 -0.004 1.089 1.00 . A A . 20 MET N 1 1 1 291 1 1 20 MET O O 4.696 3.307 -0.049 1.00 . A A . 20 MET O 1 1 1 292 1 1 20 MET SD S 3.443 3.024 5.014 1.00 . A A . 20 MET SD 1 1 1 293 1 1 21 THR C C 6.248 2.453 -2.360 1.00 . A A . 21 THR C 1 1 1 294 1 1 21 THR CA C 6.918 2.006 -1.062 1.00 . A A . 21 THR CA 1 1 1 295 1 1 21 THR CB C 8.018 0.987 -1.366 1.00 . A A . 21 THR CB 1 1 1 296 1 1 21 THR CG2 C 7.522 -0.229 -2.119 1.00 . A A . 21 THR CG2 1 1 1 297 1 1 21 THR H H 6.069 0.522 0.189 1.00 . A A . 21 THR H 1 1 1 298 1 1 21 THR HA H 7.364 2.868 -0.589 1.00 . A A . 21 THR HA 1 1 1 299 1 1 21 THR HB H 8.446 0.645 -0.434 1.00 . A A . 21 THR HB 1 1 1 300 1 1 21 THR HG1 H 9.870 1.102 -1.994 1.00 . A A . 21 THR HG1 1 1 1 301 1 1 21 THR HG21 H 7.441 0.006 -3.170 1.00 . A A . 21 THR HG21 1 1 1 302 1 1 21 THR HG22 H 6.554 -0.517 -1.739 1.00 . A A . 21 THR HG22 1 1 1 303 1 1 21 THR HG23 H 8.218 -1.044 -1.987 1.00 . A A . 21 THR HG23 1 1 1 304 1 1 21 THR N N 5.947 1.441 -0.129 1.00 . A A . 21 THR N 1 1 1 305 1 1 21 THR O O 6.494 3.556 -2.847 1.00 . A A . 21 THR O 1 1 1 306 1 1 21 THR OG1 O 9.049 1.578 -2.138 1.00 . A A . 21 THR OG1 1 1 1 307 1 1 22 HIS C C 3.264 2.301 -3.903 1.00 . A A . 22 HIS C 1 1 1 308 1 1 22 HIS CA C 4.708 1.892 -4.159 1.00 . A A . 22 HIS CA 1 1 1 309 1 1 22 HIS CB C 4.728 0.677 -5.084 1.00 . A A . 22 HIS CB 1 1 1 310 1 1 22 HIS CD2 C 3.289 -0.901 -3.592 1.00 . A A . 22 HIS CD2 1 1 1 311 1 1 22 HIS CE1 C 4.513 -2.711 -3.799 1.00 . A A . 22 HIS CE1 1 1 1 312 1 1 22 HIS CG C 4.342 -0.598 -4.400 1.00 . A A . 22 HIS CG 1 1 1 313 1 1 22 HIS H H 5.253 0.729 -2.490 1.00 . A A . 22 HIS H 1 1 1 314 1 1 22 HIS HA H 5.225 2.705 -4.636 1.00 . A A . 22 HIS HA 1 1 1 315 1 1 22 HIS HB2 H 4.037 0.841 -5.898 1.00 . A A . 22 HIS HB2 1 1 1 316 1 1 22 HIS HB3 H 5.725 0.554 -5.483 1.00 . A A . 22 HIS HB3 1 1 1 317 1 1 22 HIS HD1 H 5.909 -1.860 -5.025 1.00 . A A . 22 HIS HD1 1 1 1 318 1 1 22 HIS HD2 H 2.492 -0.229 -3.280 1.00 . A A . 22 HIS HD2 1 1 1 319 1 1 22 HIS HE1 H 4.874 -3.725 -3.698 1.00 . A A . 22 HIS HE1 1 1 1 320 1 1 22 HIS HE2 H 2.836 -2.708 -2.626 1.00 . A A . 22 HIS HE2 1 1 1 321 1 1 22 HIS N N 5.406 1.590 -2.918 1.00 . A A . 22 HIS N 1 1 1 322 1 1 22 HIS ND1 N 5.084 -1.755 -4.506 1.00 . A A . 22 HIS ND1 1 1 1 323 1 1 22 HIS NE2 N 3.426 -2.220 -3.236 1.00 . A A . 22 HIS NE2 1 1 1 324 1 1 22 HIS O O 2.444 2.319 -4.823 1.00 . A A . 22 HIS O 1 1 1 325 1 1 23 CYS C C 1.590 4.047 -1.197 1.00 . A A . 23 CYS C 1 1 1 326 1 1 23 CYS CA C 1.592 2.988 -2.296 1.00 . A A . 23 CYS CA 1 1 1 327 1 1 23 CYS CB C 0.840 1.746 -1.839 1.00 . A A . 23 CYS CB 1 1 1 328 1 1 23 CYS H H 3.624 2.563 -1.954 1.00 . A A . 23 CYS H 1 1 1 329 1 1 23 CYS HA H 1.111 3.389 -3.175 1.00 . A A . 23 CYS HA 1 1 1 330 1 1 23 CYS HB2 H 1.559 0.989 -1.559 1.00 . A A . 23 CYS HB2 1 1 1 331 1 1 23 CYS HB3 H 0.241 1.991 -0.977 1.00 . A A . 23 CYS HB3 1 1 1 332 1 1 23 CYS N N 2.944 2.609 -2.654 1.00 . A A . 23 CYS N 1 1 1 333 1 1 23 CYS O O 0.673 4.106 -0.379 1.00 . A A . 23 CYS O 1 1 1 334 1 1 23 CYS SG S -0.254 1.016 -3.105 1.00 . A A . 23 CYS SG 1 1 1 335 1 1 24 ALA C C 1.871 7.136 -0.554 1.00 . A A . 24 ALA C 1 1 1 336 1 1 24 ALA CA C 2.742 5.938 -0.189 1.00 . A A . 24 ALA CA 1 1 1 337 1 1 24 ALA CB C 4.195 6.365 -0.041 1.00 . A A . 24 ALA CB 1 1 1 338 1 1 24 ALA H H 3.325 4.785 -1.865 1.00 . A A . 24 ALA H 1 1 1 339 1 1 24 ALA HA H 2.410 5.541 0.759 1.00 . A A . 24 ALA HA 1 1 1 340 1 1 24 ALA HB1 H 4.840 5.573 -0.392 1.00 . A A . 24 ALA HB1 1 1 1 341 1 1 24 ALA HB2 H 4.407 6.568 0.998 1.00 . A A . 24 ALA HB2 1 1 1 342 1 1 24 ALA HB3 H 4.370 7.256 -0.626 1.00 . A A . 24 ALA HB3 1 1 1 343 1 1 24 ALA N N 2.625 4.882 -1.186 1.00 . A A . 24 ALA N 1 1 1 344 1 1 24 ALA O O 1.044 7.061 -1.461 1.00 . A A . 24 ALA O 1 1 1 345 1 1 25 LYS C C 1.937 10.286 -1.197 1.00 . A A . 25 LYS C 1 1 1 346 1 1 25 LYS CA C 1.296 9.455 -0.089 1.00 . A A . 25 LYS CA 1 1 1 347 1 1 25 LYS CB C 1.188 10.287 1.190 1.00 . A A . 25 LYS CB 1 1 1 348 1 1 25 LYS CD C -1.188 10.283 2.010 1.00 . A A . 25 LYS CD 1 1 1 349 1 1 25 LYS CE C -1.942 10.368 3.327 1.00 . A A . 25 LYS CE 1 1 1 350 1 1 25 LYS CG C 0.209 9.716 2.205 1.00 . A A . 25 LYS CG 1 1 1 351 1 1 25 LYS H H 2.739 8.239 0.871 1.00 . A A . 25 LYS H 1 1 1 352 1 1 25 LYS HA H 0.306 9.162 -0.402 1.00 . A A . 25 LYS HA 1 1 1 353 1 1 25 LYS HB2 H 2.162 10.342 1.654 1.00 . A A . 25 LYS HB2 1 1 1 354 1 1 25 LYS HB3 H 0.864 11.284 0.932 1.00 . A A . 25 LYS HB3 1 1 1 355 1 1 25 LYS HD2 H -1.108 11.274 1.588 1.00 . A A . 25 LYS HD2 1 1 1 356 1 1 25 LYS HD3 H -1.733 9.643 1.333 1.00 . A A . 25 LYS HD3 1 1 1 357 1 1 25 LYS HE2 H -2.320 9.388 3.575 1.00 . A A . 25 LYS HE2 1 1 1 358 1 1 25 LYS HE3 H -1.259 10.695 4.098 1.00 . A A . 25 LYS HE3 1 1 1 359 1 1 25 LYS HG2 H 0.171 8.644 2.090 1.00 . A A . 25 LYS HG2 1 1 1 360 1 1 25 LYS HG3 H 0.554 9.962 3.199 1.00 . A A . 25 LYS HG3 1 1 1 361 1 1 25 LYS HZ1 H -2.875 12.075 2.566 1.00 . A A . 25 LYS HZ1 1 1 1 362 1 1 25 LYS HZ2 H -3.248 11.754 4.184 1.00 . A A . 25 LYS HZ2 1 1 1 363 1 1 25 LYS HZ3 H -3.946 10.825 2.956 1.00 . A A . 25 LYS HZ3 1 1 1 364 1 1 25 LYS N N 2.065 8.241 0.160 1.00 . A A . 25 LYS N 1 1 1 365 1 1 25 LYS NZ N -3.082 11.322 3.254 1.00 . A A . 25 LYS NZ 1 1 1 366 1 1 25 LYS O O 1.294 11.253 -1.656 1.00 . A A . 25 LYS O 1 1 1 367 1 1 25 LYS OXT O 3.077 9.964 -1.593 1.00 . A A . 25 LYS OXT 1 1 1 368 2 2 1 ZN ZN ZN -0.358 -1.223 -2.551 1.00 . B A . 26 ZN ZN 1 1 2 369 1 1 1 ARG C C -2.537 -0.775 6.250 1.00 . A A . 1 ARG C 1 1 2 370 1 1 1 ARG CA C -2.547 -0.871 7.772 1.00 . A A . 1 ARG CA 1 1 2 371 1 1 1 ARG CB C -3.984 -0.990 8.284 1.00 . A A . 1 ARG CB 1 1 2 372 1 1 1 ARG CD C -5.538 -1.831 10.071 1.00 . A A . 1 ARG CD 1 1 2 373 1 1 1 ARG CG C -4.089 -1.631 9.658 1.00 . A A . 1 ARG CG 1 1 2 374 1 1 1 ARG CZ C -6.921 -3.601 11.082 1.00 . A A . 1 ARG CZ 1 1 2 375 1 1 1 ARG H1 H -2.338 1.170 7.941 1.00 . A A . 1 ARG H1 1 1 2 376 1 1 1 ARG H2 H -0.898 0.277 8.216 1.00 . A A . 1 ARG H2 1 1 2 377 1 1 1 ARG H3 H -2.133 0.308 9.408 1.00 . A A . 1 ARG H3 1 1 2 378 1 1 1 ARG HA H -1.988 -1.743 8.075 1.00 . A A . 1 ARG HA 1 1 2 379 1 1 1 ARG HB2 H -4.419 -0.002 8.337 1.00 . A A . 1 ARG HB2 1 1 2 380 1 1 1 ARG HB3 H -4.553 -1.586 7.588 1.00 . A A . 1 ARG HB3 1 1 2 381 1 1 1 ARG HD2 H -5.840 -1.000 10.691 1.00 . A A . 1 ARG HD2 1 1 2 382 1 1 1 ARG HD3 H -6.151 -1.856 9.182 1.00 . A A . 1 ARG HD3 1 1 2 383 1 1 1 ARG HE H -4.927 -3.537 11.136 1.00 . A A . 1 ARG HE 1 1 2 384 1 1 1 ARG HG2 H -3.595 -2.592 9.635 1.00 . A A . 1 ARG HG2 1 1 2 385 1 1 1 ARG HG3 H -3.602 -0.992 10.381 1.00 . A A . 1 ARG HG3 1 1 2 386 1 1 1 ARG HH11 H -7.973 -2.147 10.149 1.00 . A A . 1 ARG HH11 1 1 2 387 1 1 1 ARG HH12 H -8.922 -3.404 10.869 1.00 . A A . 1 ARG HH12 1 1 2 388 1 1 1 ARG HH21 H -6.174 -5.191 12.081 1.00 . A A . 1 ARG HH21 1 1 2 389 1 1 1 ARG HH22 H -7.901 -5.132 11.966 1.00 . A A . 1 ARG HH22 1 1 2 390 1 1 1 ARG N N -1.923 0.329 8.390 1.00 . A A . 1 ARG N 1 1 2 391 1 1 1 ARG NE N -5.729 -3.072 10.816 1.00 . A A . 1 ARG NE 1 1 2 392 1 1 1 ARG NH1 N -8.029 -3.001 10.666 1.00 . A A . 1 ARG NH1 1 1 2 393 1 1 1 ARG NH2 N -7.006 -4.735 11.766 1.00 . A A . 1 ARG NH2 1 1 2 394 1 1 1 ARG O O -2.770 0.293 5.683 1.00 . A A . 1 ARG O 1 1 2 395 1 1 2 VAL C C -3.607 -2.248 3.560 1.00 . A A . 2 VAL C 1 1 2 396 1 1 2 VAL CA C -2.227 -1.943 4.138 1.00 . A A . 2 VAL CA 1 1 2 397 1 1 2 VAL CB C -1.217 -2.996 3.635 1.00 . A A . 2 VAL CB 1 1 2 398 1 1 2 VAL CG1 C -1.607 -4.385 4.117 1.00 . A A . 2 VAL CG1 1 1 2 399 1 1 2 VAL CG2 C -1.108 -2.955 2.117 1.00 . A A . 2 VAL CG2 1 1 2 400 1 1 2 VAL H H -2.090 -2.718 6.102 1.00 . A A . 2 VAL H 1 1 2 401 1 1 2 VAL HA H -1.908 -0.972 3.785 1.00 . A A . 2 VAL HA 1 1 2 402 1 1 2 VAL HB H -0.248 -2.757 4.049 1.00 . A A . 2 VAL HB 1 1 2 403 1 1 2 VAL HG11 H -1.023 -4.642 4.988 1.00 . A A . 2 VAL HG11 1 1 2 404 1 1 2 VAL HG12 H -1.418 -5.104 3.333 1.00 . A A . 2 VAL HG12 1 1 2 405 1 1 2 VAL HG13 H -2.656 -4.398 4.370 1.00 . A A . 2 VAL HG13 1 1 2 406 1 1 2 VAL HG21 H -1.100 -3.963 1.729 1.00 . A A . 2 VAL HG21 1 1 2 407 1 1 2 VAL HG22 H -0.193 -2.455 1.836 1.00 . A A . 2 VAL HG22 1 1 2 408 1 1 2 VAL HG23 H -1.951 -2.419 1.709 1.00 . A A . 2 VAL HG23 1 1 2 409 1 1 2 VAL N N -2.267 -1.899 5.594 1.00 . A A . 2 VAL N 1 1 2 410 1 1 2 VAL O O -3.772 -3.180 2.773 1.00 . A A . 2 VAL O 1 1 2 411 1 1 3 ILE C C -6.372 -0.508 2.535 1.00 . A A . 3 ILE C 1 1 2 412 1 1 3 ILE CA C -5.961 -1.637 3.479 1.00 . A A . 3 ILE CA 1 1 2 413 1 1 3 ILE CB C -6.961 -1.710 4.652 1.00 . A A . 3 ILE CB 1 1 2 414 1 1 3 ILE CD1 C -9.200 -2.854 5.054 1.00 . A A . 3 ILE CD1 1 1 2 415 1 1 3 ILE CG1 C -8.376 -1.980 4.134 1.00 . A A . 3 ILE CG1 1 1 2 416 1 1 3 ILE CG2 C -6.924 -0.424 5.466 1.00 . A A . 3 ILE CG2 1 1 2 417 1 1 3 ILE H H -4.403 -0.726 4.584 1.00 . A A . 3 ILE H 1 1 2 418 1 1 3 ILE HA H -6.002 -2.573 2.941 1.00 . A A . 3 ILE HA 1 1 2 419 1 1 3 ILE HB H -6.662 -2.522 5.297 1.00 . A A . 3 ILE HB 1 1 2 420 1 1 3 ILE HD11 H -9.754 -3.572 4.469 1.00 . A A . 3 ILE HD11 1 1 2 421 1 1 3 ILE HD12 H -9.888 -2.238 5.614 1.00 . A A . 3 ILE HD12 1 1 2 422 1 1 3 ILE HD13 H -8.546 -3.376 5.737 1.00 . A A . 3 ILE HD13 1 1 2 423 1 1 3 ILE HG12 H -8.895 -1.041 4.017 1.00 . A A . 3 ILE HG12 1 1 2 424 1 1 3 ILE HG13 H -8.314 -2.472 3.175 1.00 . A A . 3 ILE HG13 1 1 2 425 1 1 3 ILE HG21 H -6.547 0.380 4.854 1.00 . A A . 3 ILE HG21 1 1 2 426 1 1 3 ILE HG22 H -6.278 -0.558 6.321 1.00 . A A . 3 ILE HG22 1 1 2 427 1 1 3 ILE HG23 H -7.922 -0.183 5.804 1.00 . A A . 3 ILE HG23 1 1 2 428 1 1 3 ILE N N -4.596 -1.454 3.956 1.00 . A A . 3 ILE N 1 1 2 429 1 1 3 ILE O O -7.250 -0.683 1.691 1.00 . A A . 3 ILE O 1 1 2 430 1 1 4 ALA C C -5.797 1.487 0.373 1.00 . A A . 4 ALA C 1 1 2 431 1 1 4 ALA CA C -6.033 1.801 1.846 1.00 . A A . 4 ALA CA 1 1 2 432 1 1 4 ALA CB C -5.196 2.997 2.273 1.00 . A A . 4 ALA CB 1 1 2 433 1 1 4 ALA H H -5.042 0.728 3.376 1.00 . A A . 4 ALA H 1 1 2 434 1 1 4 ALA HA H -7.075 2.054 1.987 1.00 . A A . 4 ALA HA 1 1 2 435 1 1 4 ALA HB1 H -4.174 2.852 1.954 1.00 . A A . 4 ALA HB1 1 1 2 436 1 1 4 ALA HB2 H -5.227 3.093 3.348 1.00 . A A . 4 ALA HB2 1 1 2 437 1 1 4 ALA HB3 H -5.591 3.894 1.820 1.00 . A A . 4 ALA HB3 1 1 2 438 1 1 4 ALA N N -5.733 0.648 2.685 1.00 . A A . 4 ALA N 1 1 2 439 1 1 4 ALA O O -6.455 2.047 -0.505 1.00 . A A . 4 ALA O 1 1 2 440 1 1 5 CYS C C -5.755 -0.374 -1.969 1.00 . A A . 5 CYS C 1 1 2 441 1 1 5 CYS CA C -4.531 0.202 -1.263 1.00 . A A . 5 CYS CA 1 1 2 442 1 1 5 CYS CB C -3.394 -0.822 -1.272 1.00 . A A . 5 CYS CB 1 1 2 443 1 1 5 CYS H H -4.363 0.177 0.848 1.00 . A A . 5 CYS H 1 1 2 444 1 1 5 CYS HA H -4.210 1.088 -1.790 1.00 . A A . 5 CYS HA 1 1 2 445 1 1 5 CYS HB2 H -2.649 -0.528 -0.548 1.00 . A A . 5 CYS HB2 1 1 2 446 1 1 5 CYS HB3 H -3.789 -1.789 -1.003 1.00 . A A . 5 CYS HB3 1 1 2 447 1 1 5 CYS N N -4.854 0.589 0.106 1.00 . A A . 5 CYS N 1 1 2 448 1 1 5 CYS O O -6.717 -0.792 -1.324 1.00 . A A . 5 CYS O 1 1 2 449 1 1 5 CYS SG S -2.562 -0.991 -2.885 1.00 . A A . 5 CYS SG 1 1 2 450 1 1 6 PHE C C -6.299 -1.787 -5.234 1.00 . A A . 6 PHE C 1 1 2 451 1 1 6 PHE CA C -6.816 -0.918 -4.091 1.00 . A A . 6 PHE CA 1 1 2 452 1 1 6 PHE CB C -7.659 0.229 -4.649 1.00 . A A . 6 PHE CB 1 1 2 453 1 1 6 PHE CD1 C -5.838 1.895 -5.097 1.00 . A A . 6 PHE CD1 1 1 2 454 1 1 6 PHE CD2 C -7.247 1.242 -6.908 1.00 . A A . 6 PHE CD2 1 1 2 455 1 1 6 PHE CE1 C -5.136 2.735 -5.942 1.00 . A A . 6 PHE CE1 1 1 2 456 1 1 6 PHE CE2 C -6.549 2.080 -7.757 1.00 . A A . 6 PHE CE2 1 1 2 457 1 1 6 PHE CG C -6.900 1.141 -5.570 1.00 . A A . 6 PHE CG 1 1 2 458 1 1 6 PHE CZ C -5.492 2.827 -7.274 1.00 . A A . 6 PHE CZ 1 1 2 459 1 1 6 PHE H H -4.916 -0.045 -3.753 1.00 . A A . 6 PHE H 1 1 2 460 1 1 6 PHE HA H -7.430 -1.524 -3.444 1.00 . A A . 6 PHE HA 1 1 2 461 1 1 6 PHE HB2 H -8.491 -0.181 -5.201 1.00 . A A . 6 PHE HB2 1 1 2 462 1 1 6 PHE HB3 H -8.035 0.822 -3.828 1.00 . A A . 6 PHE HB3 1 1 2 463 1 1 6 PHE HD1 H -5.557 1.823 -4.057 1.00 . A A . 6 PHE HD1 1 1 2 464 1 1 6 PHE HD2 H -8.073 0.659 -7.286 1.00 . A A . 6 PHE HD2 1 1 2 465 1 1 6 PHE HE1 H -4.311 3.318 -5.562 1.00 . A A . 6 PHE HE1 1 1 2 466 1 1 6 PHE HE2 H -6.830 2.151 -8.798 1.00 . A A . 6 PHE HE2 1 1 2 467 1 1 6 PHE HZ H -4.946 3.483 -7.936 1.00 . A A . 6 PHE HZ 1 1 2 468 1 1 6 PHE N N -5.710 -0.393 -3.297 1.00 . A A . 6 PHE N 1 1 2 469 1 1 6 PHE O O -6.910 -1.855 -6.300 1.00 . A A . 6 PHE O 1 1 2 470 1 1 7 LEU C C -4.615 -4.774 -5.575 1.00 . A A . 7 LEU C 1 1 2 471 1 1 7 LEU CA C -4.572 -3.314 -6.014 1.00 . A A . 7 LEU CA 1 1 2 472 1 1 7 LEU CB C -3.125 -2.893 -6.284 1.00 . A A . 7 LEU CB 1 1 2 473 1 1 7 LEU CD1 C -1.717 -0.928 -6.949 1.00 . A A . 7 LEU CD1 1 1 2 474 1 1 7 LEU CD2 C -2.893 -2.273 -8.701 1.00 . A A . 7 LEU CD2 1 1 2 475 1 1 7 LEU CG C -2.961 -1.741 -7.277 1.00 . A A . 7 LEU CG 1 1 2 476 1 1 7 LEU H H -4.728 -2.354 -4.134 1.00 . A A . 7 LEU H 1 1 2 477 1 1 7 LEU HA H -5.144 -3.206 -6.924 1.00 . A A . 7 LEU HA 1 1 2 478 1 1 7 LEU HB2 H -2.677 -2.599 -5.345 1.00 . A A . 7 LEU HB2 1 1 2 479 1 1 7 LEU HB3 H -2.590 -3.748 -6.667 1.00 . A A . 7 LEU HB3 1 1 2 480 1 1 7 LEU HD11 H -0.866 -1.588 -6.876 1.00 . A A . 7 LEU HD11 1 1 2 481 1 1 7 LEU HD12 H -1.859 -0.418 -6.008 1.00 . A A . 7 LEU HD12 1 1 2 482 1 1 7 LEU HD13 H -1.546 -0.203 -7.730 1.00 . A A . 7 LEU HD13 1 1 2 483 1 1 7 LEU HD21 H -1.860 -2.371 -8.999 1.00 . A A . 7 LEU HD21 1 1 2 484 1 1 7 LEU HD22 H -3.395 -1.585 -9.365 1.00 . A A . 7 LEU HD22 1 1 2 485 1 1 7 LEU HD23 H -3.375 -3.237 -8.748 1.00 . A A . 7 LEU HD23 1 1 2 486 1 1 7 LEU HG H -3.816 -1.086 -7.203 1.00 . A A . 7 LEU HG 1 1 2 487 1 1 7 LEU N N -5.170 -2.449 -5.004 1.00 . A A . 7 LEU N 1 1 2 488 1 1 7 LEU O O -4.738 -5.073 -4.388 1.00 . A A . 7 LEU O 1 1 2 489 1 1 8 LYS C C -3.173 -7.596 -5.785 1.00 . A A . 8 LYS C 1 1 2 490 1 1 8 LYS CA C -4.540 -7.110 -6.256 1.00 . A A . 8 LYS CA 1 1 2 491 1 1 8 LYS CB C -4.971 -7.892 -7.498 1.00 . A A . 8 LYS CB 1 1 2 492 1 1 8 LYS CD C -5.028 -10.263 -8.328 1.00 . A A . 8 LYS CD 1 1 2 493 1 1 8 LYS CE C -5.857 -11.537 -8.287 1.00 . A A . 8 LYS CE 1 1 2 494 1 1 8 LYS CG C -5.406 -9.317 -7.200 1.00 . A A . 8 LYS CG 1 1 2 495 1 1 8 LYS H H -4.416 -5.380 -7.471 1.00 . A A . 8 LYS H 1 1 2 496 1 1 8 LYS HA H -5.260 -7.276 -5.470 1.00 . A A . 8 LYS HA 1 1 2 497 1 1 8 LYS HB2 H -5.797 -7.376 -7.965 1.00 . A A . 8 LYS HB2 1 1 2 498 1 1 8 LYS HB3 H -4.144 -7.929 -8.192 1.00 . A A . 8 LYS HB3 1 1 2 499 1 1 8 LYS HD2 H -5.196 -9.768 -9.272 1.00 . A A . 8 LYS HD2 1 1 2 500 1 1 8 LYS HD3 H -3.983 -10.519 -8.235 1.00 . A A . 8 LYS HD3 1 1 2 501 1 1 8 LYS HE2 H -5.531 -12.189 -9.084 1.00 . A A . 8 LYS HE2 1 1 2 502 1 1 8 LYS HE3 H -5.697 -12.025 -7.336 1.00 . A A . 8 LYS HE3 1 1 2 503 1 1 8 LYS HG2 H -4.925 -9.647 -6.290 1.00 . A A . 8 LYS HG2 1 1 2 504 1 1 8 LYS HG3 H -6.478 -9.336 -7.069 1.00 . A A . 8 LYS HG3 1 1 2 505 1 1 8 LYS HZ1 H -7.452 -10.491 -9.136 1.00 . A A . 8 LYS HZ1 1 1 2 506 1 1 8 LYS HZ2 H -7.727 -10.981 -7.541 1.00 . A A . 8 LYS HZ2 1 1 2 507 1 1 8 LYS HZ3 H -7.799 -12.112 -8.797 1.00 . A A . 8 LYS HZ3 1 1 2 508 1 1 8 LYS N N -4.512 -5.680 -6.543 1.00 . A A . 8 LYS N 1 1 2 509 1 1 8 LYS NZ N -7.310 -11.261 -8.452 1.00 . A A . 8 LYS NZ 1 1 2 510 1 1 8 LYS O O -3.066 -8.295 -4.776 1.00 . A A . 8 LYS O 1 1 2 511 1 1 9 VAL C C -0.102 -6.574 -5.287 1.00 . A A . 9 VAL C 1 1 2 512 1 1 9 VAL CA C -0.772 -7.620 -6.176 1.00 . A A . 9 VAL CA 1 1 2 513 1 1 9 VAL CB C 0.085 -7.842 -7.440 1.00 . A A . 9 VAL CB 1 1 2 514 1 1 9 VAL CG1 C 0.211 -6.552 -8.238 1.00 . A A . 9 VAL CG1 1 1 2 515 1 1 9 VAL CG2 C 1.456 -8.386 -7.068 1.00 . A A . 9 VAL CG2 1 1 2 516 1 1 9 VAL H H -2.281 -6.665 -7.312 1.00 . A A . 9 VAL H 1 1 2 517 1 1 9 VAL HA H -0.826 -8.554 -5.635 1.00 . A A . 9 VAL HA 1 1 2 518 1 1 9 VAL HB H -0.413 -8.573 -8.060 1.00 . A A . 9 VAL HB 1 1 2 519 1 1 9 VAL HG11 H -0.564 -5.864 -7.935 1.00 . A A . 9 VAL HG11 1 1 2 520 1 1 9 VAL HG12 H 0.110 -6.769 -9.290 1.00 . A A . 9 VAL HG12 1 1 2 521 1 1 9 VAL HG13 H 1.178 -6.108 -8.053 1.00 . A A . 9 VAL HG13 1 1 2 522 1 1 9 VAL HG21 H 2.169 -7.575 -7.038 1.00 . A A . 9 VAL HG21 1 1 2 523 1 1 9 VAL HG22 H 1.767 -9.111 -7.806 1.00 . A A . 9 VAL HG22 1 1 2 524 1 1 9 VAL HG23 H 1.406 -8.858 -6.099 1.00 . A A . 9 VAL HG23 1 1 2 525 1 1 9 VAL N N -2.131 -7.222 -6.520 1.00 . A A . 9 VAL N 1 1 2 526 1 1 9 VAL O O 1.020 -6.142 -5.554 1.00 . A A . 9 VAL O 1 1 2 527 1 1 10 CYS C C -0.939 -5.302 -1.936 1.00 . A A . 10 CYS C 1 1 2 528 1 1 10 CYS CA C -0.273 -5.176 -3.303 1.00 . A A . 10 CYS CA 1 1 2 529 1 1 10 CYS CB C -0.489 -3.767 -3.858 1.00 . A A . 10 CYS CB 1 1 2 530 1 1 10 CYS H H -1.688 -6.550 -4.070 1.00 . A A . 10 CYS H 1 1 2 531 1 1 10 CYS HA H 0.785 -5.353 -3.192 1.00 . A A . 10 CYS HA 1 1 2 532 1 1 10 CYS HB2 H -0.483 -3.809 -4.937 1.00 . A A . 10 CYS HB2 1 1 2 533 1 1 10 CYS HB3 H -1.447 -3.398 -3.523 1.00 . A A . 10 CYS HB3 1 1 2 534 1 1 10 CYS N N -0.799 -6.171 -4.231 1.00 . A A . 10 CYS N 1 1 2 535 1 1 10 CYS O O -0.292 -5.653 -0.950 1.00 . A A . 10 CYS O 1 1 2 536 1 1 10 CYS SG S 0.781 -2.564 -3.345 1.00 . A A . 10 CYS SG 1 1 2 537 1 1 11 ALA C C -3.270 -6.548 -0.262 1.00 . A A . 11 ALA C 1 1 2 538 1 1 11 ALA CA C -2.989 -5.098 -0.640 1.00 . A A . 11 ALA CA 1 1 2 539 1 1 11 ALA CB C -4.291 -4.319 -0.760 1.00 . A A . 11 ALA CB 1 1 2 540 1 1 11 ALA H H -2.697 -4.742 -2.706 1.00 . A A . 11 ALA H 1 1 2 541 1 1 11 ALA HA H -2.395 -4.642 0.139 1.00 . A A . 11 ALA HA 1 1 2 542 1 1 11 ALA HB1 H -4.457 -3.755 0.145 1.00 . A A . 11 ALA HB1 1 1 2 543 1 1 11 ALA HB2 H -5.110 -5.007 -0.911 1.00 . A A . 11 ALA HB2 1 1 2 544 1 1 11 ALA HB3 H -4.230 -3.642 -1.600 1.00 . A A . 11 ALA HB3 1 1 2 545 1 1 11 ALA N N -2.235 -5.016 -1.885 1.00 . A A . 11 ALA N 1 1 2 546 1 1 11 ALA O O -3.391 -6.880 0.918 1.00 . A A . 11 ALA O 1 1 2 547 1 1 12 ALA C C -2.357 -9.606 -0.763 1.00 . A A . 12 ALA C 1 1 2 548 1 1 12 ALA CA C -3.642 -8.825 -1.042 1.00 . A A . 12 ALA CA 1 1 2 549 1 1 12 ALA CB C -4.370 -9.420 -2.238 1.00 . A A . 12 ALA CB 1 1 2 550 1 1 12 ALA H H -3.268 -7.085 -2.188 1.00 . A A . 12 ALA H 1 1 2 551 1 1 12 ALA HA H -4.291 -8.905 -0.182 1.00 . A A . 12 ALA HA 1 1 2 552 1 1 12 ALA HB1 H -4.891 -10.316 -1.933 1.00 . A A . 12 ALA HB1 1 1 2 553 1 1 12 ALA HB2 H -3.656 -9.664 -3.009 1.00 . A A . 12 ALA HB2 1 1 2 554 1 1 12 ALA HB3 H -5.081 -8.702 -2.620 1.00 . A A . 12 ALA HB3 1 1 2 555 1 1 12 ALA N N -3.374 -7.410 -1.270 1.00 . A A . 12 ALA N 1 1 2 556 1 1 12 ALA O O -2.380 -10.832 -0.666 1.00 . A A . 12 ALA O 1 1 2 557 1 1 13 ALA C C 0.358 -9.557 1.129 1.00 . A A . 13 ALA C 1 1 2 558 1 1 13 ALA CA C 0.043 -9.534 -0.365 1.00 . A A . 13 ALA CA 1 1 2 559 1 1 13 ALA CB C 1.153 -8.826 -1.128 1.00 . A A . 13 ALA CB 1 1 2 560 1 1 13 ALA H H -1.276 -7.921 -0.719 1.00 . A A . 13 ALA H 1 1 2 561 1 1 13 ALA HA H -0.013 -10.551 -0.725 1.00 . A A . 13 ALA HA 1 1 2 562 1 1 13 ALA HB1 H 0.728 -8.282 -1.959 1.00 . A A . 13 ALA HB1 1 1 2 563 1 1 13 ALA HB2 H 1.858 -9.556 -1.498 1.00 . A A . 13 ALA HB2 1 1 2 564 1 1 13 ALA HB3 H 1.660 -8.138 -0.469 1.00 . A A . 13 ALA HB3 1 1 2 565 1 1 13 ALA N N -1.239 -8.894 -0.633 1.00 . A A . 13 ALA N 1 1 2 566 1 1 13 ALA O O 1.405 -10.059 1.542 1.00 . A A . 13 ALA O 1 1 2 567 1 1 14 ALA C C 0.930 -8.243 3.752 1.00 . A A . 14 ALA C 1 1 2 568 1 1 14 ALA CA C -0.355 -8.977 3.385 1.00 . A A . 14 ALA CA 1 1 2 569 1 1 14 ALA CB C -0.336 -10.390 3.949 1.00 . A A . 14 ALA CB 1 1 2 570 1 1 14 ALA H H -1.362 -8.628 1.559 1.00 . A A . 14 ALA H 1 1 2 571 1 1 14 ALA HA H -1.194 -8.453 3.820 1.00 . A A . 14 ALA HA 1 1 2 572 1 1 14 ALA HB1 H 0.260 -10.411 4.848 1.00 . A A . 14 ALA HB1 1 1 2 573 1 1 14 ALA HB2 H 0.089 -11.064 3.219 1.00 . A A . 14 ALA HB2 1 1 2 574 1 1 14 ALA HB3 H -1.345 -10.699 4.179 1.00 . A A . 14 ALA HB3 1 1 2 575 1 1 14 ALA N N -0.546 -9.013 1.940 1.00 . A A . 14 ALA N 1 1 2 576 1 1 14 ALA O O 1.568 -8.553 4.758 1.00 . A A . 14 ALA O 1 1 2 577 1 1 15 ASN C C 2.173 -5.034 3.475 1.00 . A A . 15 ASN C 1 1 2 578 1 1 15 ASN CA C 2.514 -6.489 3.169 1.00 . A A . 15 ASN CA 1 1 2 579 1 1 15 ASN CB C 3.442 -6.564 1.954 1.00 . A A . 15 ASN CB 1 1 2 580 1 1 15 ASN CG C 4.903 -6.662 2.349 1.00 . A A . 15 ASN CG 1 1 2 581 1 1 15 ASN H H 0.754 -7.067 2.144 1.00 . A A . 15 ASN H 1 1 2 582 1 1 15 ASN HA H 3.019 -6.915 4.023 1.00 . A A . 15 ASN HA 1 1 2 583 1 1 15 ASN HB2 H 3.188 -7.434 1.368 1.00 . A A . 15 ASN HB2 1 1 2 584 1 1 15 ASN HB3 H 3.309 -5.678 1.352 1.00 . A A . 15 ASN HB3 1 1 2 585 1 1 15 ASN HD21 H 5.075 -8.387 1.375 1.00 . A A . 15 ASN HD21 1 1 2 586 1 1 15 ASN HD22 H 6.507 -7.820 2.157 1.00 . A A . 15 ASN HD22 1 1 2 587 1 1 15 ASN N N 1.304 -7.268 2.930 1.00 . A A . 15 ASN N 1 1 2 588 1 1 15 ASN ND2 N 5.562 -7.730 1.916 1.00 . A A . 15 ASN ND2 1 1 2 589 1 1 15 ASN O O 1.267 -4.459 2.872 1.00 . A A . 15 ASN O 1 1 2 590 1 1 15 ASN OD1 O 5.433 -5.788 3.033 1.00 . A A . 15 ASN OD1 1 1 2 591 1 1 16 VAL C C 3.767 -2.148 4.236 1.00 . A A . 16 VAL C 1 1 2 592 1 1 16 VAL CA C 2.681 -3.057 4.800 1.00 . A A . 16 VAL CA 1 1 2 593 1 1 16 VAL CB C 2.640 -2.899 6.332 1.00 . A A . 16 VAL CB 1 1 2 594 1 1 16 VAL CG1 C 2.208 -1.491 6.712 1.00 . A A . 16 VAL CG1 1 1 2 595 1 1 16 VAL CG2 C 1.713 -3.935 6.950 1.00 . A A . 16 VAL CG2 1 1 2 596 1 1 16 VAL H H 3.614 -4.955 4.858 1.00 . A A . 16 VAL H 1 1 2 597 1 1 16 VAL HA H 1.725 -2.750 4.401 1.00 . A A . 16 VAL HA 1 1 2 598 1 1 16 VAL HB H 3.636 -3.063 6.717 1.00 . A A . 16 VAL HB 1 1 2 599 1 1 16 VAL HG11 H 1.760 -1.506 7.695 1.00 . A A . 16 VAL HG11 1 1 2 600 1 1 16 VAL HG12 H 1.489 -1.128 5.994 1.00 . A A . 16 VAL HG12 1 1 2 601 1 1 16 VAL HG13 H 3.070 -0.840 6.720 1.00 . A A . 16 VAL HG13 1 1 2 602 1 1 16 VAL HG21 H 0.696 -3.732 6.650 1.00 . A A . 16 VAL HG21 1 1 2 603 1 1 16 VAL HG22 H 1.788 -3.887 8.026 1.00 . A A . 16 VAL HG22 1 1 2 604 1 1 16 VAL HG23 H 1.999 -4.920 6.612 1.00 . A A . 16 VAL HG23 1 1 2 605 1 1 16 VAL N N 2.906 -4.445 4.414 1.00 . A A . 16 VAL N 1 1 2 606 1 1 16 VAL O O 3.496 -1.286 3.399 1.00 . A A . 16 VAL O 1 1 2 607 1 1 17 ALA C C 6.322 -1.681 2.736 1.00 . A A . 17 ALA C 1 1 2 608 1 1 17 ALA CA C 6.124 -1.541 4.242 1.00 . A A . 17 ALA CA 1 1 2 609 1 1 17 ALA CB C 7.391 -1.939 4.983 1.00 . A A . 17 ALA CB 1 1 2 610 1 1 17 ALA H H 5.149 -3.045 5.367 1.00 . A A . 17 ALA H 1 1 2 611 1 1 17 ALA HA H 5.911 -0.506 4.471 1.00 . A A . 17 ALA HA 1 1 2 612 1 1 17 ALA HB1 H 7.137 -2.266 5.980 1.00 . A A . 17 ALA HB1 1 1 2 613 1 1 17 ALA HB2 H 8.056 -1.090 5.042 1.00 . A A . 17 ALA HB2 1 1 2 614 1 1 17 ALA HB3 H 7.880 -2.743 4.453 1.00 . A A . 17 ALA HB3 1 1 2 615 1 1 17 ALA N N 4.996 -2.344 4.700 1.00 . A A . 17 ALA N 1 1 2 616 1 1 17 ALA O O 6.576 -0.700 2.039 1.00 . A A . 17 ALA O 1 1 2 617 1 1 18 ALA C C 5.361 -2.391 -0.010 1.00 . A A . 18 ALA C 1 1 2 618 1 1 18 ALA CA C 6.370 -3.178 0.819 1.00 . A A . 18 ALA CA 1 1 2 619 1 1 18 ALA CB C 6.233 -4.669 0.545 1.00 . A A . 18 ALA CB 1 1 2 620 1 1 18 ALA H H 6.000 -3.652 2.849 1.00 . A A . 18 ALA H 1 1 2 621 1 1 18 ALA HA H 7.368 -2.875 0.536 1.00 . A A . 18 ALA HA 1 1 2 622 1 1 18 ALA HB1 H 5.188 -4.943 0.557 1.00 . A A . 18 ALA HB1 1 1 2 623 1 1 18 ALA HB2 H 6.759 -5.224 1.306 1.00 . A A . 18 ALA HB2 1 1 2 624 1 1 18 ALA HB3 H 6.653 -4.897 -0.423 1.00 . A A . 18 ALA HB3 1 1 2 625 1 1 18 ALA N N 6.204 -2.909 2.242 1.00 . A A . 18 ALA N 1 1 2 626 1 1 18 ALA O O 5.634 -2.023 -1.153 1.00 . A A . 18 ALA O 1 1 2 627 1 1 19 HIS C C 3.478 0.098 -0.162 1.00 . A A . 19 HIS C 1 1 2 628 1 1 19 HIS CA C 3.144 -1.392 -0.113 1.00 . A A . 19 HIS CA 1 1 2 629 1 1 19 HIS CB C 1.794 -1.619 0.584 1.00 . A A . 19 HIS CB 1 1 2 630 1 1 19 HIS CD2 C 0.448 0.466 1.307 1.00 . A A . 19 HIS CD2 1 1 2 631 1 1 19 HIS CE1 C -0.571 0.804 -0.583 1.00 . A A . 19 HIS CE1 1 1 2 632 1 1 19 HIS CG C 0.823 -0.487 0.419 1.00 . A A . 19 HIS CG 1 1 2 633 1 1 19 HIS H H 4.036 -2.457 1.486 1.00 . A A . 19 HIS H 1 1 2 634 1 1 19 HIS HA H 3.082 -1.766 -1.124 1.00 . A A . 19 HIS HA 1 1 2 635 1 1 19 HIS HB2 H 1.335 -2.509 0.181 1.00 . A A . 19 HIS HB2 1 1 2 636 1 1 19 HIS HB3 H 1.964 -1.758 1.643 1.00 . A A . 19 HIS HB3 1 1 2 637 1 1 19 HIS HD2 H 0.792 0.573 2.322 1.00 . A A . 19 HIS HD2 1 1 2 638 1 1 19 HIS HE1 H -1.176 1.254 -1.353 1.00 . A A . 19 HIS HE1 1 1 2 639 1 1 19 HIS HE2 H -1.023 1.948 1.086 1.00 . A A . 19 HIS HE2 1 1 2 640 1 1 19 HIS N N 4.194 -2.136 0.573 1.00 . A A . 19 HIS N 1 1 2 641 1 1 19 HIS ND1 N 0.171 -0.265 -0.768 1.00 . A A . 19 HIS ND1 1 1 2 642 1 1 19 HIS NE2 N -0.441 1.284 0.661 1.00 . A A . 19 HIS NE2 1 1 2 643 1 1 19 HIS O O 3.646 0.670 -1.238 1.00 . A A . 19 HIS O 1 1 2 644 1 1 20 MET C C 5.031 2.544 0.202 1.00 . A A . 20 MET C 1 1 2 645 1 1 20 MET CA C 3.868 2.149 1.110 1.00 . A A . 20 MET CA 1 1 2 646 1 1 20 MET CB C 4.192 2.521 2.558 1.00 . A A . 20 MET CB 1 1 2 647 1 1 20 MET CE C 4.435 5.741 4.976 1.00 . A A . 20 MET CE 1 1 2 648 1 1 20 MET CG C 4.142 4.015 2.827 1.00 . A A . 20 MET CG 1 1 2 649 1 1 20 MET H H 3.414 0.209 1.833 1.00 . A A . 20 MET H 1 1 2 650 1 1 20 MET HA H 2.987 2.692 0.799 1.00 . A A . 20 MET HA 1 1 2 651 1 1 20 MET HB2 H 3.481 2.034 3.211 1.00 . A A . 20 MET HB2 1 1 2 652 1 1 20 MET HB3 H 5.184 2.167 2.795 1.00 . A A . 20 MET HB3 1 1 2 653 1 1 20 MET HE1 H 3.926 5.241 5.786 1.00 . A A . 20 MET HE1 1 1 2 654 1 1 20 MET HE2 H 3.709 6.217 4.333 1.00 . A A . 20 MET HE2 1 1 2 655 1 1 20 MET HE3 H 5.104 6.488 5.378 1.00 . A A . 20 MET HE3 1 1 2 656 1 1 20 MET HG2 H 4.315 4.541 1.901 1.00 . A A . 20 MET HG2 1 1 2 657 1 1 20 MET HG3 H 3.161 4.266 3.204 1.00 . A A . 20 MET HG3 1 1 2 658 1 1 20 MET N N 3.565 0.721 1.011 1.00 . A A . 20 MET N 1 1 2 659 1 1 20 MET O O 4.966 3.558 -0.494 1.00 . A A . 20 MET O 1 1 2 660 1 1 20 MET SD S 5.376 4.545 4.031 1.00 . A A . 20 MET SD 1 1 2 661 1 1 21 THR C C 6.881 2.115 -2.094 1.00 . A A . 21 THR C 1 1 2 662 1 1 21 THR CA C 7.261 2.018 -0.618 1.00 . A A . 21 THR CA 1 1 2 663 1 1 21 THR CB C 8.317 0.928 -0.422 1.00 . A A . 21 THR CB 1 1 2 664 1 1 21 THR CG2 C 7.855 -0.442 -0.871 1.00 . A A . 21 THR CG2 1 1 2 665 1 1 21 THR H H 6.085 0.948 0.784 1.00 . A A . 21 THR H 1 1 2 666 1 1 21 THR HA H 7.673 2.965 -0.302 1.00 . A A . 21 THR HA 1 1 2 667 1 1 21 THR HB H 8.565 0.866 0.628 1.00 . A A . 21 THR HB 1 1 2 668 1 1 21 THR HG1 H 10.153 0.554 -0.992 1.00 . A A . 21 THR HG1 1 1 2 669 1 1 21 THR HG21 H 7.124 -0.334 -1.658 1.00 . A A . 21 THR HG21 1 1 2 670 1 1 21 THR HG22 H 7.411 -0.962 -0.036 1.00 . A A . 21 THR HG22 1 1 2 671 1 1 21 THR HG23 H 8.701 -1.004 -1.238 1.00 . A A . 21 THR HG23 1 1 2 672 1 1 21 THR N N 6.090 1.742 0.209 1.00 . A A . 21 THR N 1 1 2 673 1 1 21 THR O O 7.562 2.776 -2.879 1.00 . A A . 21 THR O 1 1 2 674 1 1 21 THR OG1 O 9.498 1.240 -1.140 1.00 . A A . 21 THR OG1 1 1 2 675 1 1 22 HIS C C 3.945 2.130 -3.944 1.00 . A A . 22 HIS C 1 1 2 676 1 1 22 HIS CA C 5.315 1.455 -3.839 1.00 . A A . 22 HIS CA 1 1 2 677 1 1 22 HIS CB C 5.259 0.008 -4.367 1.00 . A A . 22 HIS CB 1 1 2 678 1 1 22 HIS CD2 C 2.687 -0.411 -4.525 1.00 . A A . 22 HIS CD2 1 1 2 679 1 1 22 HIS CE1 C 2.613 -1.095 -6.608 1.00 . A A . 22 HIS CE1 1 1 2 680 1 1 22 HIS CG C 3.958 -0.388 -5.011 1.00 . A A . 22 HIS CG 1 1 2 681 1 1 22 HIS H H 5.295 0.944 -1.796 1.00 . A A . 22 HIS H 1 1 2 682 1 1 22 HIS HA H 6.021 2.013 -4.422 1.00 . A A . 22 HIS HA 1 1 2 683 1 1 22 HIS HB2 H 6.038 -0.124 -5.103 1.00 . A A . 22 HIS HB2 1 1 2 684 1 1 22 HIS HB3 H 5.439 -0.669 -3.544 1.00 . A A . 22 HIS HB3 1 1 2 685 1 1 22 HIS HD1 H 4.624 -0.919 -6.938 1.00 . A A . 22 HIS HD1 1 1 2 686 1 1 22 HIS HD2 H 2.369 -0.125 -3.526 1.00 . A A . 22 HIS HD2 1 1 2 687 1 1 22 HIS HE1 H 2.248 -1.454 -7.559 1.00 . A A . 22 HIS HE1 1 1 2 688 1 1 22 HIS HE2 H 0.898 -0.905 -5.506 1.00 . A A . 22 HIS HE2 1 1 2 689 1 1 22 HIS N N 5.791 1.450 -2.463 1.00 . A A . 22 HIS N 1 1 2 690 1 1 22 HIS ND1 N 3.872 -0.824 -6.316 1.00 . A A . 22 HIS ND1 1 1 2 691 1 1 22 HIS NE2 N 1.876 -0.854 -5.541 1.00 . A A . 22 HIS NE2 1 1 2 692 1 1 22 HIS O O 3.331 2.150 -5.012 1.00 . A A . 22 HIS O 1 1 2 693 1 1 23 CYS C C 2.172 4.507 -1.865 1.00 . A A . 23 CYS C 1 1 2 694 1 1 23 CYS CA C 2.163 3.297 -2.796 1.00 . A A . 23 CYS CA 1 1 2 695 1 1 23 CYS CB C 1.140 2.277 -2.307 1.00 . A A . 23 CYS CB 1 1 2 696 1 1 23 CYS H H 3.981 2.601 -2.008 1.00 . A A . 23 CYS H 1 1 2 697 1 1 23 CYS HA H 1.906 3.612 -3.794 1.00 . A A . 23 CYS HA 1 1 2 698 1 1 23 CYS HB2 H 1.652 1.533 -1.714 1.00 . A A . 23 CYS HB2 1 1 2 699 1 1 23 CYS HB3 H 0.416 2.776 -1.685 1.00 . A A . 23 CYS HB3 1 1 2 700 1 1 23 CYS N N 3.463 2.660 -2.831 1.00 . A A . 23 CYS N 1 1 2 701 1 1 23 CYS O O 1.795 4.408 -0.697 1.00 . A A . 23 CYS O 1 1 2 702 1 1 23 CYS SG S 0.244 1.390 -3.628 1.00 . A A . 23 CYS SG 1 1 2 703 1 1 24 ALA C C 1.283 7.266 -1.095 1.00 . A A . 24 ALA C 1 1 2 704 1 1 24 ALA CA C 2.664 6.876 -1.608 1.00 . A A . 24 ALA CA 1 1 2 705 1 1 24 ALA CB C 3.258 8.004 -2.440 1.00 . A A . 24 ALA CB 1 1 2 706 1 1 24 ALA H H 2.892 5.664 -3.328 1.00 . A A . 24 ALA H 1 1 2 707 1 1 24 ALA HA H 3.315 6.703 -0.763 1.00 . A A . 24 ALA HA 1 1 2 708 1 1 24 ALA HB1 H 2.976 7.874 -3.474 1.00 . A A . 24 ALA HB1 1 1 2 709 1 1 24 ALA HB2 H 4.335 7.985 -2.354 1.00 . A A . 24 ALA HB2 1 1 2 710 1 1 24 ALA HB3 H 2.885 8.951 -2.080 1.00 . A A . 24 ALA HB3 1 1 2 711 1 1 24 ALA N N 2.606 5.648 -2.391 1.00 . A A . 24 ALA N 1 1 2 712 1 1 24 ALA O O 0.264 6.818 -1.621 1.00 . A A . 24 ALA O 1 1 2 713 1 1 25 LYS C C -0.365 9.951 0.023 1.00 . A A . 25 LYS C 1 1 2 714 1 1 25 LYS CA C -0.002 8.556 0.522 1.00 . A A . 25 LYS CA 1 1 2 715 1 1 25 LYS CB C 0.092 8.555 2.049 1.00 . A A . 25 LYS CB 1 1 2 716 1 1 25 LYS CD C -1.382 10.287 3.116 1.00 . A A . 25 LYS CD 1 1 2 717 1 1 25 LYS CE C -2.421 10.480 4.209 1.00 . A A . 25 LYS CE 1 1 2 718 1 1 25 LYS CG C -1.235 8.822 2.740 1.00 . A A . 25 LYS CG 1 1 2 719 1 1 25 LYS H H 2.100 8.428 0.313 1.00 . A A . 25 LYS H 1 1 2 720 1 1 25 LYS HA H -0.775 7.866 0.217 1.00 . A A . 25 LYS HA 1 1 2 721 1 1 25 LYS HB2 H 0.457 7.592 2.374 1.00 . A A . 25 LYS HB2 1 1 2 722 1 1 25 LYS HB3 H 0.793 9.318 2.354 1.00 . A A . 25 LYS HB3 1 1 2 723 1 1 25 LYS HD2 H -0.431 10.657 3.468 1.00 . A A . 25 LYS HD2 1 1 2 724 1 1 25 LYS HD3 H -1.686 10.844 2.241 1.00 . A A . 25 LYS HD3 1 1 2 725 1 1 25 LYS HE2 H -2.394 9.625 4.868 1.00 . A A . 25 LYS HE2 1 1 2 726 1 1 25 LYS HE3 H -2.175 11.371 4.768 1.00 . A A . 25 LYS HE3 1 1 2 727 1 1 25 LYS HG2 H -2.039 8.549 2.073 1.00 . A A . 25 LYS HG2 1 1 2 728 1 1 25 LYS HG3 H -1.289 8.222 3.637 1.00 . A A . 25 LYS HG3 1 1 2 729 1 1 25 LYS HZ1 H -4.042 11.625 3.560 1.00 . A A . 25 LYS HZ1 1 1 2 730 1 1 25 LYS HZ2 H -4.483 10.161 4.282 1.00 . A A . 25 LYS HZ2 1 1 2 731 1 1 25 LYS HZ3 H -3.847 10.172 2.715 1.00 . A A . 25 LYS HZ3 1 1 2 732 1 1 25 LYS N N 1.255 8.105 -0.063 1.00 . A A . 25 LYS N 1 1 2 733 1 1 25 LYS NZ N -3.795 10.619 3.653 1.00 . A A . 25 LYS NZ 1 1 2 734 1 1 25 LYS O O 0.562 10.711 -0.329 1.00 . A A . 25 LYS O 1 1 2 735 1 1 25 LYS OXT O -1.571 10.272 -0.010 1.00 . A A . 25 LYS OXT 1 1 2 736 2 2 1 ZN ZN ZN -0.297 -0.648 -2.662 1.00 . B A . 26 ZN ZN 1 1 3 737 1 1 1 ARG C C -2.331 -0.816 5.859 1.00 . A A . 1 ARG C 1 1 3 738 1 1 1 ARG CA C -2.340 -0.789 7.384 1.00 . A A . 1 ARG CA 1 1 3 739 1 1 1 ARG CB C -3.485 0.092 7.889 1.00 . A A . 1 ARG CB 1 1 3 740 1 1 1 ARG CD C -4.988 -1.062 9.540 1.00 . A A . 1 ARG CD 1 1 3 741 1 1 1 ARG CG C -4.790 -0.662 8.088 1.00 . A A . 1 ARG CG 1 1 3 742 1 1 1 ARG CZ C -4.980 -3.146 10.854 1.00 . A A . 1 ARG CZ 1 1 3 743 1 1 1 ARG H1 H -0.801 0.577 7.352 1.00 . A A . 1 ARG H1 1 1 3 744 1 1 1 ARG H2 H -0.345 -1.006 7.834 1.00 . A A . 1 ARG H2 1 1 3 745 1 1 1 ARG H3 H -1.216 0.005 8.913 1.00 . A A . 1 ARG H3 1 1 3 746 1 1 1 ARG HA H -2.475 -1.794 7.753 1.00 . A A . 1 ARG HA 1 1 3 747 1 1 1 ARG HB2 H -3.198 0.527 8.835 1.00 . A A . 1 ARG HB2 1 1 3 748 1 1 1 ARG HB3 H -3.657 0.884 7.175 1.00 . A A . 1 ARG HB3 1 1 3 749 1 1 1 ARG HD2 H -4.382 -0.419 10.163 1.00 . A A . 1 ARG HD2 1 1 3 750 1 1 1 ARG HD3 H -6.028 -0.934 9.797 1.00 . A A . 1 ARG HD3 1 1 3 751 1 1 1 ARG HE H -4.042 -2.890 9.112 1.00 . A A . 1 ARG HE 1 1 3 752 1 1 1 ARG HG2 H -5.610 -0.028 7.785 1.00 . A A . 1 ARG HG2 1 1 3 753 1 1 1 ARG HG3 H -4.776 -1.553 7.477 1.00 . A A . 1 ARG HG3 1 1 3 754 1 1 1 ARG HH11 H -6.043 -1.638 11.683 1.00 . A A . 1 ARG HH11 1 1 3 755 1 1 1 ARG HH12 H -6.023 -3.113 12.587 1.00 . A A . 1 ARG HH12 1 1 3 756 1 1 1 ARG HH21 H -4.015 -4.833 10.300 1.00 . A A . 1 ARG HH21 1 1 3 757 1 1 1 ARG HH22 H -4.871 -4.928 11.802 1.00 . A A . 1 ARG HH22 1 1 3 758 1 1 1 ARG N N -1.060 -0.255 7.919 1.00 . A A . 1 ARG N 1 1 3 759 1 1 1 ARG NE N -4.607 -2.452 9.783 1.00 . A A . 1 ARG NE 1 1 3 760 1 1 1 ARG NH1 N -5.745 -2.586 11.784 1.00 . A A . 1 ARG NH1 1 1 3 761 1 1 1 ARG NH2 N -4.590 -4.405 10.997 1.00 . A A . 1 ARG NH2 1 1 3 762 1 1 1 ARG O O -2.429 0.225 5.209 1.00 . A A . 1 ARG O 1 1 3 763 1 1 2 VAL C C -3.600 -2.403 3.300 1.00 . A A . 2 VAL C 1 1 3 764 1 1 2 VAL CA C -2.192 -2.175 3.845 1.00 . A A . 2 VAL CA 1 1 3 765 1 1 2 VAL CB C -1.285 -3.350 3.426 1.00 . A A . 2 VAL CB 1 1 3 766 1 1 2 VAL CG1 C -1.794 -4.660 4.009 1.00 . A A . 2 VAL CG1 1 1 3 767 1 1 2 VAL CG2 C -1.180 -3.434 1.909 1.00 . A A . 2 VAL CG2 1 1 3 768 1 1 2 VAL H H -2.139 -2.806 5.865 1.00 . A A . 2 VAL H 1 1 3 769 1 1 2 VAL HA H -1.794 -1.268 3.415 1.00 . A A . 2 VAL HA 1 1 3 770 1 1 2 VAL HB H -0.296 -3.170 3.822 1.00 . A A . 2 VAL HB 1 1 3 771 1 1 2 VAL HG11 H -1.211 -4.917 4.881 1.00 . A A . 2 VAL HG11 1 1 3 772 1 1 2 VAL HG12 H -1.703 -5.443 3.271 1.00 . A A . 2 VAL HG12 1 1 3 773 1 1 2 VAL HG13 H -2.832 -4.549 4.291 1.00 . A A . 2 VAL HG13 1 1 3 774 1 1 2 VAL HG21 H -1.960 -2.837 1.461 1.00 . A A . 2 VAL HG21 1 1 3 775 1 1 2 VAL HG22 H -1.287 -4.462 1.596 1.00 . A A . 2 VAL HG22 1 1 3 776 1 1 2 VAL HG23 H -0.216 -3.060 1.594 1.00 . A A . 2 VAL HG23 1 1 3 777 1 1 2 VAL N N -2.213 -2.013 5.294 1.00 . A A . 2 VAL N 1 1 3 778 1 1 2 VAL O O -3.844 -3.348 2.550 1.00 . A A . 2 VAL O 1 1 3 779 1 1 3 ILE C C -6.267 -0.489 2.286 1.00 . A A . 3 ILE C 1 1 3 780 1 1 3 ILE CA C -5.908 -1.631 3.235 1.00 . A A . 3 ILE CA 1 1 3 781 1 1 3 ILE CB C -6.887 -1.627 4.428 1.00 . A A . 3 ILE CB 1 1 3 782 1 1 3 ILE CD1 C -8.516 -3.206 3.273 1.00 . A A . 3 ILE CD1 1 1 3 783 1 1 3 ILE CG1 C -8.319 -1.864 3.943 1.00 . A A . 3 ILE CG1 1 1 3 784 1 1 3 ILE CG2 C -6.791 -0.315 5.194 1.00 . A A . 3 ILE CG2 1 1 3 785 1 1 3 ILE H H -4.269 -0.796 4.284 1.00 . A A . 3 ILE H 1 1 3 786 1 1 3 ILE HA H -6.018 -2.569 2.710 1.00 . A A . 3 ILE HA 1 1 3 787 1 1 3 ILE HB H -6.605 -2.425 5.097 1.00 . A A . 3 ILE HB 1 1 3 788 1 1 3 ILE HD11 H -9.222 -3.792 3.841 1.00 . A A . 3 ILE HD11 1 1 3 789 1 1 3 ILE HD12 H -7.570 -3.726 3.225 1.00 . A A . 3 ILE HD12 1 1 3 790 1 1 3 ILE HD13 H -8.895 -3.056 2.273 1.00 . A A . 3 ILE HD13 1 1 3 791 1 1 3 ILE HG12 H -8.991 -1.815 4.787 1.00 . A A . 3 ILE HG12 1 1 3 792 1 1 3 ILE HG13 H -8.584 -1.094 3.233 1.00 . A A . 3 ILE HG13 1 1 3 793 1 1 3 ILE HG21 H -5.868 0.185 4.940 1.00 . A A . 3 ILE HG21 1 1 3 794 1 1 3 ILE HG22 H -6.810 -0.517 6.256 1.00 . A A . 3 ILE HG22 1 1 3 795 1 1 3 ILE HG23 H -7.627 0.317 4.933 1.00 . A A . 3 ILE HG23 1 1 3 796 1 1 3 ILE N N -4.525 -1.528 3.683 1.00 . A A . 3 ILE N 1 1 3 797 1 1 3 ILE O O -7.133 -0.636 1.424 1.00 . A A . 3 ILE O 1 1 3 798 1 1 4 ALA C C -5.644 1.480 0.135 1.00 . A A . 4 ALA C 1 1 3 799 1 1 4 ALA CA C -5.845 1.811 1.610 1.00 . A A . 4 ALA CA 1 1 3 800 1 1 4 ALA CB C -4.939 2.962 2.023 1.00 . A A . 4 ALA CB 1 1 3 801 1 1 4 ALA H H -4.917 0.704 3.156 1.00 . A A . 4 ALA H 1 1 3 802 1 1 4 ALA HA H -6.870 2.119 1.763 1.00 . A A . 4 ALA HA 1 1 3 803 1 1 4 ALA HB1 H -4.024 2.568 2.439 1.00 . A A . 4 ALA HB1 1 1 3 804 1 1 4 ALA HB2 H -5.441 3.567 2.763 1.00 . A A . 4 ALA HB2 1 1 3 805 1 1 4 ALA HB3 H -4.710 3.567 1.158 1.00 . A A . 4 ALA HB3 1 1 3 806 1 1 4 ALA N N -5.596 0.646 2.452 1.00 . A A . 4 ALA N 1 1 3 807 1 1 4 ALA O O -6.294 2.059 -0.735 1.00 . A A . 4 ALA O 1 1 3 808 1 1 5 CYS C C -5.706 -0.423 -2.181 1.00 . A A . 5 CYS C 1 1 3 809 1 1 5 CYS CA C -4.456 0.136 -1.509 1.00 . A A . 5 CYS CA 1 1 3 810 1 1 5 CYS CB C -3.340 -0.910 -1.532 1.00 . A A . 5 CYS CB 1 1 3 811 1 1 5 CYS H H -4.255 0.117 0.598 1.00 . A A . 5 CYS H 1 1 3 812 1 1 5 CYS HA H -4.130 1.010 -2.054 1.00 . A A . 5 CYS HA 1 1 3 813 1 1 5 CYS HB2 H -2.626 -0.682 -0.755 1.00 . A A . 5 CYS HB2 1 1 3 814 1 1 5 CYS HB3 H -3.767 -1.885 -1.348 1.00 . A A . 5 CYS HB3 1 1 3 815 1 1 5 CYS N N -4.740 0.544 -0.139 1.00 . A A . 5 CYS N 1 1 3 816 1 1 5 CYS O O -6.625 -0.894 -1.511 1.00 . A A . 5 CYS O 1 1 3 817 1 1 5 CYS SG S -2.431 -0.991 -3.110 1.00 . A A . 5 CYS SG 1 1 3 818 1 1 6 PHE C C -6.425 -1.892 -5.310 1.00 . A A . 6 PHE C 1 1 3 819 1 1 6 PHE CA C -6.872 -0.867 -4.271 1.00 . A A . 6 PHE CA 1 1 3 820 1 1 6 PHE CB C -7.599 0.289 -4.960 1.00 . A A . 6 PHE CB 1 1 3 821 1 1 6 PHE CD1 C -5.704 1.823 -5.556 1.00 . A A . 6 PHE CD1 1 1 3 822 1 1 6 PHE CD2 C -7.007 0.892 -7.323 1.00 . A A . 6 PHE CD2 1 1 3 823 1 1 6 PHE CE1 C -4.924 2.492 -6.479 1.00 . A A . 6 PHE CE1 1 1 3 824 1 1 6 PHE CE2 C -6.231 1.558 -8.252 1.00 . A A . 6 PHE CE2 1 1 3 825 1 1 6 PHE CG C -6.753 1.016 -5.967 1.00 . A A . 6 PHE CG 1 1 3 826 1 1 6 PHE CZ C -5.188 2.360 -7.829 1.00 . A A . 6 PHE CZ 1 1 3 827 1 1 6 PHE H H -4.971 0.020 -3.988 1.00 . A A . 6 PHE H 1 1 3 828 1 1 6 PHE HA H -7.549 -1.346 -3.581 1.00 . A A . 6 PHE HA 1 1 3 829 1 1 6 PHE HB2 H -8.468 -0.095 -5.473 1.00 . A A . 6 PHE HB2 1 1 3 830 1 1 6 PHE HB3 H -7.914 1.002 -4.213 1.00 . A A . 6 PHE HB3 1 1 3 831 1 1 6 PHE HD1 H -5.497 1.926 -4.502 1.00 . A A . 6 PHE HD1 1 1 3 832 1 1 6 PHE HD2 H -7.823 0.265 -7.655 1.00 . A A . 6 PHE HD2 1 1 3 833 1 1 6 PHE HE1 H -4.109 3.117 -6.147 1.00 . A A . 6 PHE HE1 1 1 3 834 1 1 6 PHE HE2 H -6.439 1.453 -9.306 1.00 . A A . 6 PHE HE2 1 1 3 835 1 1 6 PHE HZ H -4.579 2.882 -8.553 1.00 . A A . 6 PHE HZ 1 1 3 836 1 1 6 PHE N N -5.734 -0.367 -3.509 1.00 . A A . 6 PHE N 1 1 3 837 1 1 6 PHE O O -7.035 -2.022 -6.371 1.00 . A A . 6 PHE O 1 1 3 838 1 1 7 LEU C C -5.020 -5.029 -5.326 1.00 . A A . 7 LEU C 1 1 3 839 1 1 7 LEU CA C -4.826 -3.630 -5.902 1.00 . A A . 7 LEU CA 1 1 3 840 1 1 7 LEU CB C -3.342 -3.378 -6.174 1.00 . A A . 7 LEU CB 1 1 3 841 1 1 7 LEU CD1 C -1.575 -2.072 -7.380 1.00 . A A . 7 LEU CD1 1 1 3 842 1 1 7 LEU CD2 C -3.454 -3.111 -8.663 1.00 . A A . 7 LEU CD2 1 1 3 843 1 1 7 LEU CG C -3.048 -2.451 -7.354 1.00 . A A . 7 LEU CG 1 1 3 844 1 1 7 LEU H H -4.911 -2.467 -4.137 1.00 . A A . 7 LEU H 1 1 3 845 1 1 7 LEU HA H -5.370 -3.559 -6.833 1.00 . A A . 7 LEU HA 1 1 3 846 1 1 7 LEU HB2 H -2.904 -2.946 -5.285 1.00 . A A . 7 LEU HB2 1 1 3 847 1 1 7 LEU HB3 H -2.866 -4.328 -6.363 1.00 . A A . 7 LEU HB3 1 1 3 848 1 1 7 LEU HD11 H -1.331 -1.513 -6.488 1.00 . A A . 7 LEU HD11 1 1 3 849 1 1 7 LEU HD12 H -1.375 -1.465 -8.251 1.00 . A A . 7 LEU HD12 1 1 3 850 1 1 7 LEU HD13 H -0.973 -2.967 -7.420 1.00 . A A . 7 LEU HD13 1 1 3 851 1 1 7 LEU HD21 H -2.821 -2.750 -9.460 1.00 . A A . 7 LEU HD21 1 1 3 852 1 1 7 LEU HD22 H -4.483 -2.871 -8.883 1.00 . A A . 7 LEU HD22 1 1 3 853 1 1 7 LEU HD23 H -3.345 -4.182 -8.574 1.00 . A A . 7 LEU HD23 1 1 3 854 1 1 7 LEU HG H -3.624 -1.544 -7.242 1.00 . A A . 7 LEU HG 1 1 3 855 1 1 7 LEU N N -5.355 -2.617 -4.997 1.00 . A A . 7 LEU N 1 1 3 856 1 1 7 LEU O O -5.314 -5.189 -4.142 1.00 . A A . 7 LEU O 1 1 3 857 1 1 8 LYS C C -3.666 -8.038 -5.370 1.00 . A A . 8 LYS C 1 1 3 858 1 1 8 LYS CA C -5.012 -7.427 -5.749 1.00 . A A . 8 LYS CA 1 1 3 859 1 1 8 LYS CB C -5.666 -8.251 -6.859 1.00 . A A . 8 LYS CB 1 1 3 860 1 1 8 LYS CD C -7.436 -9.932 -7.454 1.00 . A A . 8 LYS CD 1 1 3 861 1 1 8 LYS CE C -8.352 -8.876 -8.053 1.00 . A A . 8 LYS CE 1 1 3 862 1 1 8 LYS CG C -6.573 -9.355 -6.343 1.00 . A A . 8 LYS CG 1 1 3 863 1 1 8 LYS H H -4.621 -5.850 -7.105 1.00 . A A . 8 LYS H 1 1 3 864 1 1 8 LYS HA H -5.654 -7.436 -4.880 1.00 . A A . 8 LYS HA 1 1 3 865 1 1 8 LYS HB2 H -6.253 -7.593 -7.482 1.00 . A A . 8 LYS HB2 1 1 3 866 1 1 8 LYS HB3 H -4.890 -8.705 -7.459 1.00 . A A . 8 LYS HB3 1 1 3 867 1 1 8 LYS HD2 H -6.794 -10.318 -8.230 1.00 . A A . 8 LYS HD2 1 1 3 868 1 1 8 LYS HD3 H -8.039 -10.732 -7.050 1.00 . A A . 8 LYS HD3 1 1 3 869 1 1 8 LYS HE2 H -8.807 -8.316 -7.249 1.00 . A A . 8 LYS HE2 1 1 3 870 1 1 8 LYS HE3 H -7.761 -8.211 -8.665 1.00 . A A . 8 LYS HE3 1 1 3 871 1 1 8 LYS HG2 H -5.965 -10.144 -5.927 1.00 . A A . 8 LYS HG2 1 1 3 872 1 1 8 LYS HG3 H -7.215 -8.949 -5.574 1.00 . A A . 8 LYS HG3 1 1 3 873 1 1 8 LYS HZ1 H -9.134 -9.496 -9.887 1.00 . A A . 8 LYS HZ1 1 1 3 874 1 1 8 LYS HZ2 H -10.300 -8.927 -8.802 1.00 . A A . 8 LYS HZ2 1 1 3 875 1 1 8 LYS HZ3 H -9.612 -10.456 -8.578 1.00 . A A . 8 LYS HZ3 1 1 3 876 1 1 8 LYS N N -4.855 -6.041 -6.172 1.00 . A A . 8 LYS N 1 1 3 877 1 1 8 LYS NZ N -9.425 -9.482 -8.888 1.00 . A A . 8 LYS NZ 1 1 3 878 1 1 8 LYS O O -3.590 -8.914 -4.510 1.00 . A A . 8 LYS O 1 1 3 879 1 1 9 VAL C C -0.550 -7.210 -4.715 1.00 . A A . 9 VAL C 1 1 3 880 1 1 9 VAL CA C -1.263 -8.072 -5.754 1.00 . A A . 9 VAL CA 1 1 3 881 1 1 9 VAL CB C -0.415 -8.120 -7.041 1.00 . A A . 9 VAL CB 1 1 3 882 1 1 9 VAL CG1 C -0.253 -6.726 -7.630 1.00 . A A . 9 VAL CG1 1 1 3 883 1 1 9 VAL CG2 C 0.941 -8.753 -6.768 1.00 . A A . 9 VAL CG2 1 1 3 884 1 1 9 VAL H H -2.729 -6.871 -6.697 1.00 . A A . 9 VAL H 1 1 3 885 1 1 9 VAL HA H -1.354 -9.078 -5.370 1.00 . A A . 9 VAL HA 1 1 3 886 1 1 9 VAL HB H -0.934 -8.732 -7.765 1.00 . A A . 9 VAL HB 1 1 3 887 1 1 9 VAL HG11 H 0.025 -6.035 -6.848 1.00 . A A . 9 VAL HG11 1 1 3 888 1 1 9 VAL HG12 H -1.187 -6.412 -8.074 1.00 . A A . 9 VAL HG12 1 1 3 889 1 1 9 VAL HG13 H 0.517 -6.743 -8.387 1.00 . A A . 9 VAL HG13 1 1 3 890 1 1 9 VAL HG21 H 1.678 -7.976 -6.623 1.00 . A A . 9 VAL HG21 1 1 3 891 1 1 9 VAL HG22 H 1.227 -9.370 -7.607 1.00 . A A . 9 VAL HG22 1 1 3 892 1 1 9 VAL HG23 H 0.882 -9.362 -5.877 1.00 . A A . 9 VAL HG23 1 1 3 893 1 1 9 VAL N N -2.605 -7.569 -6.021 1.00 . A A . 9 VAL N 1 1 3 894 1 1 9 VAL O O 0.301 -7.696 -3.971 1.00 . A A . 9 VAL O 1 1 3 895 1 1 10 CYS C C -1.056 -4.990 -2.405 1.00 . A A . 10 CYS C 1 1 3 896 1 1 10 CYS CA C -0.293 -5.001 -3.726 1.00 . A A . 10 CYS CA 1 1 3 897 1 1 10 CYS CB C -0.254 -3.590 -4.317 1.00 . A A . 10 CYS CB 1 1 3 898 1 1 10 CYS H H -1.584 -5.599 -5.292 1.00 . A A . 10 CYS H 1 1 3 899 1 1 10 CYS HA H 0.718 -5.332 -3.541 1.00 . A A . 10 CYS HA 1 1 3 900 1 1 10 CYS HB2 H 0.001 -3.655 -5.364 1.00 . A A . 10 CYS HB2 1 1 3 901 1 1 10 CYS HB3 H -1.230 -3.140 -4.217 1.00 . A A . 10 CYS HB3 1 1 3 902 1 1 10 CYS N N -0.901 -5.929 -4.672 1.00 . A A . 10 CYS N 1 1 3 903 1 1 10 CYS O O -0.485 -5.245 -1.345 1.00 . A A . 10 CYS O 1 1 3 904 1 1 10 CYS SG S 0.954 -2.483 -3.521 1.00 . A A . 10 CYS SG 1 1 3 905 1 1 11 ALA C C -3.211 -5.994 -0.574 1.00 . A A . 11 ALA C 1 1 3 906 1 1 11 ALA CA C -3.190 -4.646 -1.286 1.00 . A A . 11 ALA CA 1 1 3 907 1 1 11 ALA CB C -4.604 -4.222 -1.656 1.00 . A A . 11 ALA CB 1 1 3 908 1 1 11 ALA H H -2.747 -4.498 -3.351 1.00 . A A . 11 ALA H 1 1 3 909 1 1 11 ALA HA H -2.781 -3.903 -0.618 1.00 . A A . 11 ALA HA 1 1 3 910 1 1 11 ALA HB1 H -5.056 -3.709 -0.820 1.00 . A A . 11 ALA HB1 1 1 3 911 1 1 11 ALA HB2 H -5.189 -5.096 -1.901 1.00 . A A . 11 ALA HB2 1 1 3 912 1 1 11 ALA HB3 H -4.570 -3.561 -2.509 1.00 . A A . 11 ALA HB3 1 1 3 913 1 1 11 ALA N N -2.349 -4.692 -2.477 1.00 . A A . 11 ALA N 1 1 3 914 1 1 11 ALA O O -2.937 -6.078 0.624 1.00 . A A . 11 ALA O 1 1 3 915 1 1 12 ALA C C -2.225 -9.072 -0.769 1.00 . A A . 12 ALA C 1 1 3 916 1 1 12 ALA CA C -3.596 -8.394 -0.758 1.00 . A A . 12 ALA CA 1 1 3 917 1 1 12 ALA CB C -4.608 -9.235 -1.522 1.00 . A A . 12 ALA CB 1 1 3 918 1 1 12 ALA H H -3.746 -6.915 -2.265 1.00 . A A . 12 ALA H 1 1 3 919 1 1 12 ALA HA H -3.935 -8.313 0.265 1.00 . A A . 12 ALA HA 1 1 3 920 1 1 12 ALA HB1 H -5.577 -9.143 -1.056 1.00 . A A . 12 ALA HB1 1 1 3 921 1 1 12 ALA HB2 H -4.299 -10.271 -1.508 1.00 . A A . 12 ALA HB2 1 1 3 922 1 1 12 ALA HB3 H -4.664 -8.890 -2.543 1.00 . A A . 12 ALA HB3 1 1 3 923 1 1 12 ALA N N -3.538 -7.047 -1.317 1.00 . A A . 12 ALA N 1 1 3 924 1 1 12 ALA O O -2.129 -10.283 -0.968 1.00 . A A . 12 ALA O 1 1 3 925 1 1 13 ALA C C 0.644 -9.163 0.876 1.00 . A A . 13 ALA C 1 1 3 926 1 1 13 ALA CA C 0.185 -8.831 -0.542 1.00 . A A . 13 ALA CA 1 1 3 927 1 1 13 ALA CB C 1.147 -7.849 -1.192 1.00 . A A . 13 ALA CB 1 1 3 928 1 1 13 ALA H H -1.303 -7.336 -0.400 1.00 . A A . 13 ALA H 1 1 3 929 1 1 13 ALA HA H 0.186 -9.737 -1.129 1.00 . A A . 13 ALA HA 1 1 3 930 1 1 13 ALA HB1 H 1.675 -7.300 -0.425 1.00 . A A . 13 ALA HB1 1 1 3 931 1 1 13 ALA HB2 H 0.593 -7.158 -1.811 1.00 . A A . 13 ALA HB2 1 1 3 932 1 1 13 ALA HB3 H 1.857 -8.389 -1.802 1.00 . A A . 13 ALA HB3 1 1 3 933 1 1 13 ALA N N -1.171 -8.292 -0.555 1.00 . A A . 13 ALA N 1 1 3 934 1 1 13 ALA O O 1.759 -9.644 1.079 1.00 . A A . 13 ALA O 1 1 3 935 1 1 14 ALA C C 1.372 -8.444 3.680 1.00 . A A . 14 ALA C 1 1 3 936 1 1 14 ALA CA C 0.107 -9.183 3.253 1.00 . A A . 14 ALA CA 1 1 3 937 1 1 14 ALA CB C 0.271 -10.680 3.470 1.00 . A A . 14 ALA CB 1 1 3 938 1 1 14 ALA H H -1.094 -8.526 1.641 1.00 . A A . 14 ALA H 1 1 3 939 1 1 14 ALA HA H -0.718 -8.843 3.861 1.00 . A A . 14 ALA HA 1 1 3 940 1 1 14 ALA HB1 H 0.817 -11.107 2.641 1.00 . A A . 14 ALA HB1 1 1 3 941 1 1 14 ALA HB2 H -0.703 -11.143 3.536 1.00 . A A . 14 ALA HB2 1 1 3 942 1 1 14 ALA HB3 H 0.815 -10.854 4.386 1.00 . A A . 14 ALA HB3 1 1 3 943 1 1 14 ALA N N -0.218 -8.907 1.858 1.00 . A A . 14 ALA N 1 1 3 944 1 1 14 ALA O O 2.122 -8.919 4.532 1.00 . A A . 14 ALA O 1 1 3 945 1 1 15 ASN C C 2.411 -4.997 3.499 1.00 . A A . 15 ASN C 1 1 3 946 1 1 15 ASN CA C 2.774 -6.475 3.402 1.00 . A A . 15 ASN CA 1 1 3 947 1 1 15 ASN CB C 3.860 -6.677 2.343 1.00 . A A . 15 ASN CB 1 1 3 948 1 1 15 ASN CG C 5.253 -6.696 2.942 1.00 . A A . 15 ASN CG 1 1 3 949 1 1 15 ASN H H 0.965 -6.954 2.411 1.00 . A A . 15 ASN H 1 1 3 950 1 1 15 ASN HA H 3.151 -6.804 4.359 1.00 . A A . 15 ASN HA 1 1 3 951 1 1 15 ASN HB2 H 3.693 -7.617 1.839 1.00 . A A . 15 ASN HB2 1 1 3 952 1 1 15 ASN HB3 H 3.806 -5.873 1.624 1.00 . A A . 15 ASN HB3 1 1 3 953 1 1 15 ASN HD21 H 5.857 -7.985 1.554 1.00 . A A . 15 ASN HD21 1 1 3 954 1 1 15 ASN HD22 H 7.053 -7.505 2.705 1.00 . A A . 15 ASN HD22 1 1 3 955 1 1 15 ASN N N 1.601 -7.279 3.083 1.00 . A A . 15 ASN N 1 1 3 956 1 1 15 ASN ND2 N 6.144 -7.474 2.339 1.00 . A A . 15 ASN ND2 1 1 3 957 1 1 15 ASN O O 1.810 -4.433 2.584 1.00 . A A . 15 ASN O 1 1 3 958 1 1 15 ASN OD1 O 5.525 -6.018 3.932 1.00 . A A . 15 ASN OD1 1 1 3 959 1 1 16 VAL C C 3.634 -2.086 4.331 1.00 . A A . 16 VAL C 1 1 3 960 1 1 16 VAL CA C 2.491 -2.961 4.831 1.00 . A A . 16 VAL CA 1 1 3 961 1 1 16 VAL CB C 2.242 -2.661 6.321 1.00 . A A . 16 VAL CB 1 1 3 962 1 1 16 VAL CG1 C 1.756 -1.231 6.505 1.00 . A A . 16 VAL CG1 1 1 3 963 1 1 16 VAL CG2 C 1.245 -3.650 6.906 1.00 . A A . 16 VAL CG2 1 1 3 964 1 1 16 VAL H H 3.253 -4.877 5.308 1.00 . A A . 16 VAL H 1 1 3 965 1 1 16 VAL HA H 1.594 -2.715 4.281 1.00 . A A . 16 VAL HA 1 1 3 966 1 1 16 VAL HB H 3.177 -2.769 6.850 1.00 . A A . 16 VAL HB 1 1 3 967 1 1 16 VAL HG11 H 0.802 -1.109 6.012 1.00 . A A . 16 VAL HG11 1 1 3 968 1 1 16 VAL HG12 H 2.473 -0.550 6.073 1.00 . A A . 16 VAL HG12 1 1 3 969 1 1 16 VAL HG13 H 1.646 -1.021 7.558 1.00 . A A . 16 VAL HG13 1 1 3 970 1 1 16 VAL HG21 H 0.612 -4.032 6.118 1.00 . A A . 16 VAL HG21 1 1 3 971 1 1 16 VAL HG22 H 0.637 -3.153 7.647 1.00 . A A . 16 VAL HG22 1 1 3 972 1 1 16 VAL HG23 H 1.778 -4.468 7.368 1.00 . A A . 16 VAL HG23 1 1 3 973 1 1 16 VAL N N 2.778 -4.375 4.615 1.00 . A A . 16 VAL N 1 1 3 974 1 1 16 VAL O O 3.418 -1.137 3.577 1.00 . A A . 16 VAL O 1 1 3 975 1 1 17 ALA C C 6.270 -1.772 2.852 1.00 . A A . 17 ALA C 1 1 3 976 1 1 17 ALA CA C 6.028 -1.652 4.353 1.00 . A A . 17 ALA CA 1 1 3 977 1 1 17 ALA CB C 7.250 -2.123 5.125 1.00 . A A . 17 ALA CB 1 1 3 978 1 1 17 ALA H H 4.959 -3.177 5.357 1.00 . A A . 17 ALA H 1 1 3 979 1 1 17 ALA HA H 5.855 -0.613 4.597 1.00 . A A . 17 ALA HA 1 1 3 980 1 1 17 ALA HB1 H 7.096 -1.956 6.181 1.00 . A A . 17 ALA HB1 1 1 3 981 1 1 17 ALA HB2 H 8.119 -1.572 4.797 1.00 . A A . 17 ALA HB2 1 1 3 982 1 1 17 ALA HB3 H 7.404 -3.177 4.947 1.00 . A A . 17 ALA HB3 1 1 3 983 1 1 17 ALA N N 4.851 -2.409 4.757 1.00 . A A . 17 ALA N 1 1 3 984 1 1 17 ALA O O 6.534 -0.779 2.174 1.00 . A A . 17 ALA O 1 1 3 985 1 1 18 ALA C C 5.402 -2.435 0.072 1.00 . A A . 18 ALA C 1 1 3 986 1 1 18 ALA CA C 6.382 -3.243 0.916 1.00 . A A . 18 ALA CA 1 1 3 987 1 1 18 ALA CB C 6.242 -4.727 0.615 1.00 . A A . 18 ALA CB 1 1 3 988 1 1 18 ALA H H 5.960 -3.746 2.929 1.00 . A A . 18 ALA H 1 1 3 989 1 1 18 ALA HA H 7.389 -2.941 0.669 1.00 . A A . 18 ALA HA 1 1 3 990 1 1 18 ALA HB1 H 6.764 -4.958 -0.302 1.00 . A A . 18 ALA HB1 1 1 3 991 1 1 18 ALA HB2 H 5.197 -4.976 0.506 1.00 . A A . 18 ALA HB2 1 1 3 992 1 1 18 ALA HB3 H 6.667 -5.301 1.426 1.00 . A A . 18 ALA HB3 1 1 3 993 1 1 18 ALA N N 6.174 -2.994 2.338 1.00 . A A . 18 ALA N 1 1 3 994 1 1 18 ALA O O 5.730 -2.000 -1.032 1.00 . A A . 18 ALA O 1 1 3 995 1 1 19 HIS C C 3.471 0.019 -0.053 1.00 . A A . 19 HIS C 1 1 3 996 1 1 19 HIS CA C 3.171 -1.479 -0.104 1.00 . A A . 19 HIS CA 1 1 3 997 1 1 19 HIS CB C 1.789 -1.774 0.500 1.00 . A A . 19 HIS CB 1 1 3 998 1 1 19 HIS CD2 C 0.379 0.242 1.295 1.00 . A A . 19 HIS CD2 1 1 3 999 1 1 19 HIS CE1 C -0.568 0.681 -0.612 1.00 . A A . 19 HIS CE1 1 1 3 1000 1 1 19 HIS CG C 0.807 -0.648 0.364 1.00 . A A . 19 HIS CG 1 1 3 1001 1 1 19 HIS H H 3.998 -2.608 1.484 1.00 . A A . 19 HIS H 1 1 3 1002 1 1 19 HIS HA H 3.176 -1.798 -1.136 1.00 . A A . 19 HIS HA 1 1 3 1003 1 1 19 HIS HB2 H 1.368 -2.639 0.011 1.00 . A A . 19 HIS HB2 1 1 3 1004 1 1 19 HIS HB3 H 1.906 -1.987 1.553 1.00 . A A . 19 HIS HB3 1 1 3 1005 1 1 19 HIS HD2 H 0.680 0.291 2.327 1.00 . A A . 19 HIS HD2 1 1 3 1006 1 1 19 HIS HE1 H -1.149 1.170 -1.377 1.00 . A A . 19 HIS HE1 1 1 3 1007 1 1 19 HIS HE2 H -1.109 1.712 1.104 1.00 . A A . 19 HIS HE2 1 1 3 1008 1 1 19 HIS N N 4.199 -2.237 0.600 1.00 . A A . 19 HIS N 1 1 3 1009 1 1 19 HIS ND1 N 0.200 -0.361 -0.833 1.00 . A A . 19 HIS ND1 1 1 3 1010 1 1 19 HIS NE2 N -0.498 1.085 0.663 1.00 . A A . 19 HIS NE2 1 1 3 1011 1 1 19 HIS O O 3.660 0.658 -1.087 1.00 . A A . 19 HIS O 1 1 3 1012 1 1 20 MET C C 4.962 2.467 0.516 1.00 . A A . 20 MET C 1 1 3 1013 1 1 20 MET CA C 3.773 1.996 1.350 1.00 . A A . 20 MET CA 1 1 3 1014 1 1 20 MET CB C 4.028 2.289 2.830 1.00 . A A . 20 MET CB 1 1 3 1015 1 1 20 MET CE C 0.912 4.326 4.720 1.00 . A A . 20 MET CE 1 1 3 1016 1 1 20 MET CG C 2.763 2.580 3.619 1.00 . A A . 20 MET CG 1 1 3 1017 1 1 20 MET H H 3.342 0.007 1.942 1.00 . A A . 20 MET H 1 1 3 1018 1 1 20 MET HA H 2.893 2.539 1.035 1.00 . A A . 20 MET HA 1 1 3 1019 1 1 20 MET HB2 H 4.517 1.434 3.275 1.00 . A A . 20 MET HB2 1 1 3 1020 1 1 20 MET HB3 H 4.680 3.146 2.907 1.00 . A A . 20 MET HB3 1 1 3 1021 1 1 20 MET HE1 H 0.912 3.508 5.427 1.00 . A A . 20 MET HE1 1 1 3 1022 1 1 20 MET HE2 H 0.102 4.195 4.019 1.00 . A A . 20 MET HE2 1 1 3 1023 1 1 20 MET HE3 H 0.787 5.259 5.248 1.00 . A A . 20 MET HE3 1 1 3 1024 1 1 20 MET HG2 H 1.922 2.151 3.097 1.00 . A A . 20 MET HG2 1 1 3 1025 1 1 20 MET HG3 H 2.851 2.122 4.594 1.00 . A A . 20 MET HG3 1 1 3 1026 1 1 20 MET N N 3.506 0.570 1.157 1.00 . A A . 20 MET N 1 1 3 1027 1 1 20 MET O O 4.904 3.517 -0.124 1.00 . A A . 20 MET O 1 1 3 1028 1 1 20 MET SD S 2.470 4.346 3.834 1.00 . A A . 20 MET SD 1 1 3 1029 1 1 21 THR C C 6.916 2.211 -1.718 1.00 . A A . 21 THR C 1 1 3 1030 1 1 21 THR CA C 7.238 2.035 -0.235 1.00 . A A . 21 THR CA 1 1 3 1031 1 1 21 THR CB C 8.309 0.958 -0.058 1.00 . A A . 21 THR CB 1 1 3 1032 1 1 21 THR CG2 C 7.905 -0.389 -0.619 1.00 . A A . 21 THR CG2 1 1 3 1033 1 1 21 THR H H 6.030 0.863 1.053 1.00 . A A . 21 THR H 1 1 3 1034 1 1 21 THR HA H 7.614 2.970 0.152 1.00 . A A . 21 THR HA 1 1 3 1035 1 1 21 THR HB H 8.506 0.831 0.997 1.00 . A A . 21 THR HB 1 1 3 1036 1 1 21 THR HG1 H 9.767 2.220 -0.396 1.00 . A A . 21 THR HG1 1 1 3 1037 1 1 21 THR HG21 H 7.132 -0.252 -1.361 1.00 . A A . 21 THR HG21 1 1 3 1038 1 1 21 THR HG22 H 7.531 -1.013 0.178 1.00 . A A . 21 THR HG22 1 1 3 1039 1 1 21 THR HG23 H 8.763 -0.860 -1.075 1.00 . A A . 21 THR HG23 1 1 3 1040 1 1 21 THR N N 6.040 1.688 0.524 1.00 . A A . 21 THR N 1 1 3 1041 1 1 21 THR O O 7.618 2.926 -2.434 1.00 . A A . 21 THR O 1 1 3 1042 1 1 21 THR OG1 O 9.515 1.343 -0.692 1.00 . A A . 21 THR OG1 1 1 3 1043 1 1 22 HIS C C 4.057 2.289 -3.686 1.00 . A A . 22 HIS C 1 1 3 1044 1 1 22 HIS CA C 5.433 1.631 -3.562 1.00 . A A . 22 HIS CA 1 1 3 1045 1 1 22 HIS CB C 5.427 0.218 -4.175 1.00 . A A . 22 HIS CB 1 1 3 1046 1 1 22 HIS CD2 C 2.873 -0.232 -4.476 1.00 . A A . 22 HIS CD2 1 1 3 1047 1 1 22 HIS CE1 C 2.904 -0.783 -6.599 1.00 . A A . 22 HIS CE1 1 1 3 1048 1 1 22 HIS CG C 4.163 -0.158 -4.901 1.00 . A A . 22 HIS CG 1 1 3 1049 1 1 22 HIS H H 5.338 1.002 -1.555 1.00 . A A . 22 HIS H 1 1 3 1050 1 1 22 HIS HA H 6.153 2.235 -4.081 1.00 . A A . 22 HIS HA 1 1 3 1051 1 1 22 HIS HB2 H 6.240 0.140 -4.880 1.00 . A A . 22 HIS HB2 1 1 3 1052 1 1 22 HIS HB3 H 5.581 -0.504 -3.386 1.00 . A A . 22 HIS HB3 1 1 3 1053 1 1 22 HIS HD1 H 4.924 -0.552 -6.826 1.00 . A A . 22 HIS HD1 1 1 3 1054 1 1 22 HIS HD2 H 2.506 -0.017 -3.476 1.00 . A A . 22 HIS HD2 1 1 3 1055 1 1 22 HIS HE1 H 2.589 -1.087 -7.587 1.00 . A A . 22 HIS HE1 1 1 3 1056 1 1 22 HIS HE2 H 1.139 -0.693 -5.566 1.00 . A A . 22 HIS HE2 1 1 3 1057 1 1 22 HIS N N 5.854 1.554 -2.170 1.00 . A A . 22 HIS N 1 1 3 1058 1 1 22 HIS ND1 N 4.144 -0.509 -6.234 1.00 . A A . 22 HIS ND1 1 1 3 1059 1 1 22 HIS NE2 N 2.116 -0.622 -5.553 1.00 . A A . 22 HIS NE2 1 1 3 1060 1 1 22 HIS O O 3.489 2.366 -4.776 1.00 . A A . 22 HIS O 1 1 3 1061 1 1 23 CYS C C 2.154 4.504 -1.543 1.00 . A A . 23 CYS C 1 1 3 1062 1 1 23 CYS CA C 2.207 3.355 -2.546 1.00 . A A . 23 CYS CA 1 1 3 1063 1 1 23 CYS CB C 1.182 2.289 -2.167 1.00 . A A . 23 CYS CB 1 1 3 1064 1 1 23 CYS H H 4.002 2.640 -1.724 1.00 . A A . 23 CYS H 1 1 3 1065 1 1 23 CYS HA H 1.987 3.726 -3.534 1.00 . A A . 23 CYS HA 1 1 3 1066 1 1 23 CYS HB2 H 1.682 1.519 -1.598 1.00 . A A . 23 CYS HB2 1 1 3 1067 1 1 23 CYS HB3 H 0.424 2.737 -1.548 1.00 . A A . 23 CYS HB3 1 1 3 1068 1 1 23 CYS N N 3.519 2.742 -2.564 1.00 . A A . 23 CYS N 1 1 3 1069 1 1 23 CYS O O 1.694 4.336 -0.414 1.00 . A A . 23 CYS O 1 1 3 1070 1 1 23 CYS SG S 0.361 1.473 -3.578 1.00 . A A . 23 CYS SG 1 1 3 1071 1 1 24 ALA C C 1.223 7.374 -0.882 1.00 . A A . 24 ALA C 1 1 3 1072 1 1 24 ALA CA C 2.637 6.848 -1.104 1.00 . A A . 24 ALA CA 1 1 3 1073 1 1 24 ALA CB C 3.518 7.934 -1.705 1.00 . A A . 24 ALA CB 1 1 3 1074 1 1 24 ALA H H 2.984 5.743 -2.876 1.00 . A A . 24 ALA H 1 1 3 1075 1 1 24 ALA HA H 3.058 6.562 -0.151 1.00 . A A . 24 ALA HA 1 1 3 1076 1 1 24 ALA HB1 H 4.216 7.489 -2.397 1.00 . A A . 24 ALA HB1 1 1 3 1077 1 1 24 ALA HB2 H 4.061 8.433 -0.915 1.00 . A A . 24 ALA HB2 1 1 3 1078 1 1 24 ALA HB3 H 2.900 8.651 -2.225 1.00 . A A . 24 ALA HB3 1 1 3 1079 1 1 24 ALA N N 2.629 5.672 -1.964 1.00 . A A . 24 ALA N 1 1 3 1080 1 1 24 ALA O O 0.307 7.063 -1.642 1.00 . A A . 24 ALA O 1 1 3 1081 1 1 25 LYS C C -0.362 10.173 -0.028 1.00 . A A . 25 LYS C 1 1 3 1082 1 1 25 LYS CA C -0.249 8.743 0.490 1.00 . A A . 25 LYS CA 1 1 3 1083 1 1 25 LYS CB C -0.480 8.717 2.002 1.00 . A A . 25 LYS CB 1 1 3 1084 1 1 25 LYS CD C -2.164 10.479 2.613 1.00 . A A . 25 LYS CD 1 1 3 1085 1 1 25 LYS CE C -3.127 10.728 3.763 1.00 . A A . 25 LYS CE 1 1 3 1086 1 1 25 LYS CG C -1.920 8.993 2.404 1.00 . A A . 25 LYS CG 1 1 3 1087 1 1 25 LYS H H 1.822 8.385 0.737 1.00 . A A . 25 LYS H 1 1 3 1088 1 1 25 LYS HA H -1.004 8.138 0.010 1.00 . A A . 25 LYS HA 1 1 3 1089 1 1 25 LYS HB2 H -0.205 7.743 2.380 1.00 . A A . 25 LYS HB2 1 1 3 1090 1 1 25 LYS HB3 H 0.149 9.463 2.464 1.00 . A A . 25 LYS HB3 1 1 3 1091 1 1 25 LYS HD2 H -1.223 10.961 2.834 1.00 . A A . 25 LYS HD2 1 1 3 1092 1 1 25 LYS HD3 H -2.581 10.896 1.708 1.00 . A A . 25 LYS HD3 1 1 3 1093 1 1 25 LYS HE2 H -3.719 9.839 3.919 1.00 . A A . 25 LYS HE2 1 1 3 1094 1 1 25 LYS HE3 H -2.556 10.941 4.654 1.00 . A A . 25 LYS HE3 1 1 3 1095 1 1 25 LYS HG2 H -2.576 8.638 1.622 1.00 . A A . 25 LYS HG2 1 1 3 1096 1 1 25 LYS HG3 H -2.135 8.468 3.322 1.00 . A A . 25 LYS HG3 1 1 3 1097 1 1 25 LYS HZ1 H -4.637 11.661 2.661 1.00 . A A . 25 LYS HZ1 1 1 3 1098 1 1 25 LYS HZ2 H -3.486 12.731 3.288 1.00 . A A . 25 LYS HZ2 1 1 3 1099 1 1 25 LYS HZ3 H -4.650 12.049 4.308 1.00 . A A . 25 LYS HZ3 1 1 3 1100 1 1 25 LYS N N 1.054 8.173 0.167 1.00 . A A . 25 LYS N 1 1 3 1101 1 1 25 LYS NZ N -4.039 11.872 3.486 1.00 . A A . 25 LYS NZ 1 1 3 1102 1 1 25 LYS O O 0.688 10.837 -0.161 1.00 . A A . 25 LYS O 1 1 3 1103 1 1 25 LYS OXT O -1.498 10.617 -0.297 1.00 . A A . 25 LYS OXT 1 1 3 1104 2 2 1 ZN ZN ZN -0.183 -0.630 -2.764 1.00 . B A . 26 ZN ZN 1 1 4 1105 1 1 1 ARG C C -2.359 -0.769 5.874 1.00 . A A . 1 ARG C 1 1 4 1106 1 1 1 ARG CA C -2.329 -0.783 7.398 1.00 . A A . 1 ARG CA 1 1 4 1107 1 1 1 ARG CB C -3.652 -0.258 7.957 1.00 . A A . 1 ARG CB 1 1 4 1108 1 1 1 ARG CD C -4.928 -1.971 9.279 1.00 . A A . 1 ARG CD 1 1 4 1109 1 1 1 ARG CG C -4.774 -1.283 7.933 1.00 . A A . 1 ARG CG 1 1 4 1110 1 1 1 ARG CZ C -5.900 -4.074 10.122 1.00 . A A . 1 ARG CZ 1 1 4 1111 1 1 1 ARG H1 H -0.344 -0.249 7.466 1.00 . A A . 1 ARG H1 1 1 4 1112 1 1 1 ARG H2 H -1.183 -0.076 8.954 1.00 . A A . 1 ARG H2 1 1 4 1113 1 1 1 ARG H3 H -1.441 1.050 7.684 1.00 . A A . 1 ARG H3 1 1 4 1114 1 1 1 ARG HA H -2.177 -1.797 7.738 1.00 . A A . 1 ARG HA 1 1 4 1115 1 1 1 ARG HB2 H -3.499 0.054 8.980 1.00 . A A . 1 ARG HB2 1 1 4 1116 1 1 1 ARG HB3 H -3.962 0.597 7.374 1.00 . A A . 1 ARG HB3 1 1 4 1117 1 1 1 ARG HD2 H -3.978 -1.950 9.792 1.00 . A A . 1 ARG HD2 1 1 4 1118 1 1 1 ARG HD3 H -5.662 -1.435 9.862 1.00 . A A . 1 ARG HD3 1 1 4 1119 1 1 1 ARG HE H -5.237 -3.785 8.262 1.00 . A A . 1 ARG HE 1 1 4 1120 1 1 1 ARG HG2 H -5.700 -0.784 7.687 1.00 . A A . 1 ARG HG2 1 1 4 1121 1 1 1 ARG HG3 H -4.552 -2.026 7.180 1.00 . A A . 1 ARG HG3 1 1 4 1122 1 1 1 ARG HH11 H -5.807 -2.586 11.489 1.00 . A A . 1 ARG HH11 1 1 4 1123 1 1 1 ARG HH12 H -6.486 -4.074 12.057 1.00 . A A . 1 ARG HH12 1 1 4 1124 1 1 1 ARG HH21 H -6.131 -5.743 9.007 1.00 . A A . 1 ARG HH21 1 1 4 1125 1 1 1 ARG HH22 H -6.670 -5.867 10.648 1.00 . A A . 1 ARG HH22 1 1 4 1126 1 1 1 ARG N N -1.224 0.062 7.922 1.00 . A A . 1 ARG N 1 1 4 1127 1 1 1 ARG NE N -5.358 -3.360 9.137 1.00 . A A . 1 ARG NE 1 1 4 1128 1 1 1 ARG NH1 N -6.078 -3.533 11.321 1.00 . A A . 1 ARG NH1 1 1 4 1129 1 1 1 ARG NH2 N -6.263 -5.330 9.908 1.00 . A A . 1 ARG NH2 1 1 4 1130 1 1 1 ARG O O -2.521 0.284 5.256 1.00 . A A . 1 ARG O 1 1 4 1131 1 1 2 VAL C C -3.619 -2.338 3.301 1.00 . A A . 2 VAL C 1 1 4 1132 1 1 2 VAL CA C -2.210 -2.065 3.819 1.00 . A A . 2 VAL CA 1 1 4 1133 1 1 2 VAL CB C -1.263 -3.187 3.345 1.00 . A A . 2 VAL CB 1 1 4 1134 1 1 2 VAL CG1 C -1.703 -4.534 3.903 1.00 . A A . 2 VAL CG1 1 1 4 1135 1 1 2 VAL CG2 C -1.194 -3.224 1.825 1.00 . A A . 2 VAL CG2 1 1 4 1136 1 1 2 VAL H H -2.075 -2.748 5.819 1.00 . A A . 2 VAL H 1 1 4 1137 1 1 2 VAL HA H -1.861 -1.130 3.406 1.00 . A A . 2 VAL HA 1 1 4 1138 1 1 2 VAL HB H -0.274 -2.975 3.722 1.00 . A A . 2 VAL HB 1 1 4 1139 1 1 2 VAL HG11 H -2.736 -4.476 4.212 1.00 . A A . 2 VAL HG11 1 1 4 1140 1 1 2 VAL HG12 H -1.086 -4.789 4.752 1.00 . A A . 2 VAL HG12 1 1 4 1141 1 1 2 VAL HG13 H -1.597 -5.291 3.140 1.00 . A A . 2 VAL HG13 1 1 4 1142 1 1 2 VAL HG21 H -2.010 -2.649 1.411 1.00 . A A . 2 VAL HG21 1 1 4 1143 1 1 2 VAL HG22 H -1.266 -4.247 1.484 1.00 . A A . 2 VAL HG22 1 1 4 1144 1 1 2 VAL HG23 H -0.255 -2.802 1.496 1.00 . A A . 2 VAL HG23 1 1 4 1145 1 1 2 VAL N N -2.201 -1.943 5.272 1.00 . A A . 2 VAL N 1 1 4 1146 1 1 2 VAL O O -3.842 -3.275 2.534 1.00 . A A . 2 VAL O 1 1 4 1147 1 1 3 ILE C C -6.377 -0.527 2.378 1.00 . A A . 3 ILE C 1 1 4 1148 1 1 3 ILE CA C -5.957 -1.662 3.308 1.00 . A A . 3 ILE CA 1 1 4 1149 1 1 3 ILE CB C -6.910 -1.702 4.521 1.00 . A A . 3 ILE CB 1 1 4 1150 1 1 3 ILE CD1 C -8.508 -3.243 3.274 1.00 . A A . 3 ILE CD1 1 1 4 1151 1 1 3 ILE CG1 C -8.348 -1.963 4.065 1.00 . A A . 3 ILE CG1 1 1 4 1152 1 1 3 ILE CG2 C -6.825 -0.403 5.309 1.00 . A A . 3 ILE CG2 1 1 4 1153 1 1 3 ILE H H -4.331 -0.784 4.338 1.00 . A A . 3 ILE H 1 1 4 1154 1 1 3 ILE HA H -6.046 -2.599 2.777 1.00 . A A . 3 ILE HA 1 1 4 1155 1 1 3 ILE HB H -6.595 -2.506 5.169 1.00 . A A . 3 ILE HB 1 1 4 1156 1 1 3 ILE HD11 H -9.363 -3.789 3.643 1.00 . A A . 3 ILE HD11 1 1 4 1157 1 1 3 ILE HD12 H -7.620 -3.847 3.384 1.00 . A A . 3 ILE HD12 1 1 4 1158 1 1 3 ILE HD13 H -8.654 -3.005 2.231 1.00 . A A . 3 ILE HD13 1 1 4 1159 1 1 3 ILE HG12 H -8.987 -2.028 4.932 1.00 . A A . 3 ILE HG12 1 1 4 1160 1 1 3 ILE HG13 H -8.675 -1.143 3.442 1.00 . A A . 3 ILE HG13 1 1 4 1161 1 1 3 ILE HG21 H -7.001 0.432 4.647 1.00 . A A . 3 ILE HG21 1 1 4 1162 1 1 3 ILE HG22 H -5.842 -0.311 5.748 1.00 . A A . 3 ILE HG22 1 1 4 1163 1 1 3 ILE HG23 H -7.569 -0.406 6.091 1.00 . A A . 3 ILE HG23 1 1 4 1164 1 1 3 ILE N N -4.570 -1.513 3.727 1.00 . A A . 3 ILE N 1 1 4 1165 1 1 3 ILE O O -7.241 -0.702 1.518 1.00 . A A . 3 ILE O 1 1 4 1166 1 1 4 ALA C C -5.837 1.507 0.255 1.00 . A A . 4 ALA C 1 1 4 1167 1 1 4 ALA CA C -6.068 1.801 1.733 1.00 . A A . 4 ALA CA 1 1 4 1168 1 1 4 ALA CB C -5.232 2.993 2.173 1.00 . A A . 4 ALA CB 1 1 4 1169 1 1 4 ALA H H -5.080 0.716 3.258 1.00 . A A . 4 ALA H 1 1 4 1170 1 1 4 ALA HA H -7.110 2.046 1.882 1.00 . A A . 4 ALA HA 1 1 4 1171 1 1 4 ALA HB1 H -4.308 2.644 2.608 1.00 . A A . 4 ALA HB1 1 1 4 1172 1 1 4 ALA HB2 H -5.782 3.567 2.905 1.00 . A A . 4 ALA HB2 1 1 4 1173 1 1 4 ALA HB3 H -5.015 3.616 1.317 1.00 . A A . 4 ALA HB3 1 1 4 1174 1 1 4 ALA N N -5.759 0.637 2.557 1.00 . A A . 4 ALA N 1 1 4 1175 1 1 4 ALA O O -6.519 2.055 -0.611 1.00 . A A . 4 ALA O 1 1 4 1176 1 1 5 CYS C C -5.754 -0.367 -2.088 1.00 . A A . 5 CYS C 1 1 4 1177 1 1 5 CYS CA C -4.551 0.272 -1.402 1.00 . A A . 5 CYS CA 1 1 4 1178 1 1 5 CYS CB C -3.361 -0.689 -1.434 1.00 . A A . 5 CYS CB 1 1 4 1179 1 1 5 CYS H H -4.362 0.234 0.706 1.00 . A A . 5 CYS H 1 1 4 1180 1 1 5 CYS HA H -4.287 1.175 -1.932 1.00 . A A . 5 CYS HA 1 1 4 1181 1 1 5 CYS HB2 H -2.648 -0.392 -0.682 1.00 . A A . 5 CYS HB2 1 1 4 1182 1 1 5 CYS HB3 H -3.710 -1.688 -1.217 1.00 . A A . 5 CYS HB3 1 1 4 1183 1 1 5 CYS N N -4.871 0.638 -0.027 1.00 . A A . 5 CYS N 1 1 4 1184 1 1 5 CYS O O -6.694 -0.811 -1.430 1.00 . A A . 5 CYS O 1 1 4 1185 1 1 5 CYS SG S -2.492 -0.740 -3.036 1.00 . A A . 5 CYS SG 1 1 4 1186 1 1 6 PHE C C -6.269 -1.994 -5.213 1.00 . A A . 6 PHE C 1 1 4 1187 1 1 6 PHE CA C -6.805 -0.995 -4.193 1.00 . A A . 6 PHE CA 1 1 4 1188 1 1 6 PHE CB C -7.598 0.102 -4.905 1.00 . A A . 6 PHE CB 1 1 4 1189 1 1 6 PHE CD1 C -5.855 1.885 -5.191 1.00 . A A . 6 PHE CD1 1 1 4 1190 1 1 6 PHE CD2 C -6.847 0.945 -7.145 1.00 . A A . 6 PHE CD2 1 1 4 1191 1 1 6 PHE CE1 C -5.073 2.707 -5.980 1.00 . A A . 6 PHE CE1 1 1 4 1192 1 1 6 PHE CE2 C -6.067 1.766 -7.939 1.00 . A A . 6 PHE CE2 1 1 4 1193 1 1 6 PHE CG C -6.750 0.996 -5.765 1.00 . A A . 6 PHE CG 1 1 4 1194 1 1 6 PHE CZ C -5.179 2.648 -7.356 1.00 . A A . 6 PHE CZ 1 1 4 1195 1 1 6 PHE H H -4.941 -0.039 -3.885 1.00 . A A . 6 PHE H 1 1 4 1196 1 1 6 PHE HA H -7.460 -1.513 -3.508 1.00 . A A . 6 PHE HA 1 1 4 1197 1 1 6 PHE HB2 H -8.344 -0.355 -5.537 1.00 . A A . 6 PHE HB2 1 1 4 1198 1 1 6 PHE HB3 H -8.090 0.719 -4.167 1.00 . A A . 6 PHE HB3 1 1 4 1199 1 1 6 PHE HD1 H -5.770 1.931 -4.115 1.00 . A A . 6 PHE HD1 1 1 4 1200 1 1 6 PHE HD2 H -7.541 0.257 -7.603 1.00 . A A . 6 PHE HD2 1 1 4 1201 1 1 6 PHE HE1 H -4.379 3.396 -5.520 1.00 . A A . 6 PHE HE1 1 1 4 1202 1 1 6 PHE HE2 H -6.152 1.717 -9.014 1.00 . A A . 6 PHE HE2 1 1 4 1203 1 1 6 PHE HZ H -4.568 3.289 -7.974 1.00 . A A . 6 PHE HZ 1 1 4 1204 1 1 6 PHE N N -5.718 -0.409 -3.416 1.00 . A A . 6 PHE N 1 1 4 1205 1 1 6 PHE O O -6.816 -2.134 -6.306 1.00 . A A . 6 PHE O 1 1 4 1206 1 1 7 LEU C C -4.467 -5.027 -5.031 1.00 . A A . 7 LEU C 1 1 4 1207 1 1 7 LEU CA C -4.586 -3.675 -5.728 1.00 . A A . 7 LEU CA 1 1 4 1208 1 1 7 LEU CB C -3.204 -3.199 -6.181 1.00 . A A . 7 LEU CB 1 1 4 1209 1 1 7 LEU CD1 C -1.969 -1.335 -7.315 1.00 . A A . 7 LEU CD1 1 1 4 1210 1 1 7 LEU CD2 C -3.301 -2.959 -8.674 1.00 . A A . 7 LEU CD2 1 1 4 1211 1 1 7 LEU CG C -3.210 -2.214 -7.351 1.00 . A A . 7 LEU CG 1 1 4 1212 1 1 7 LEU H H -4.805 -2.531 -3.961 1.00 . A A . 7 LEU H 1 1 4 1213 1 1 7 LEU HA H -5.222 -3.784 -6.594 1.00 . A A . 7 LEU HA 1 1 4 1214 1 1 7 LEU HB2 H -2.716 -2.727 -5.341 1.00 . A A . 7 LEU HB2 1 1 4 1215 1 1 7 LEU HB3 H -2.626 -4.064 -6.472 1.00 . A A . 7 LEU HB3 1 1 4 1216 1 1 7 LEU HD11 H -1.186 -1.796 -7.897 1.00 . A A . 7 LEU HD11 1 1 4 1217 1 1 7 LEU HD12 H -1.638 -1.222 -6.293 1.00 . A A . 7 LEU HD12 1 1 4 1218 1 1 7 LEU HD13 H -2.203 -0.365 -7.729 1.00 . A A . 7 LEU HD13 1 1 4 1219 1 1 7 LEU HD21 H -3.702 -2.302 -9.431 1.00 . A A . 7 LEU HD21 1 1 4 1220 1 1 7 LEU HD22 H -3.948 -3.816 -8.561 1.00 . A A . 7 LEU HD22 1 1 4 1221 1 1 7 LEU HD23 H -2.315 -3.288 -8.970 1.00 . A A . 7 LEU HD23 1 1 4 1222 1 1 7 LEU HG H -4.075 -1.573 -7.268 1.00 . A A . 7 LEU HG 1 1 4 1223 1 1 7 LEU N N -5.196 -2.688 -4.845 1.00 . A A . 7 LEU N 1 1 4 1224 1 1 7 LEU O O -4.301 -5.097 -3.813 1.00 . A A . 7 LEU O 1 1 4 1225 1 1 8 LYS C C -3.020 -7.775 -4.877 1.00 . A A . 8 LYS C 1 1 4 1226 1 1 8 LYS CA C -4.457 -7.449 -5.269 1.00 . A A . 8 LYS CA 1 1 4 1227 1 1 8 LYS CB C -4.963 -8.469 -6.292 1.00 . A A . 8 LYS CB 1 1 4 1228 1 1 8 LYS CD C -6.982 -8.909 -7.722 1.00 . A A . 8 LYS CD 1 1 4 1229 1 1 8 LYS CE C -7.213 -7.636 -8.520 1.00 . A A . 8 LYS CE 1 1 4 1230 1 1 8 LYS CG C -6.476 -8.602 -6.321 1.00 . A A . 8 LYS CG 1 1 4 1231 1 1 8 LYS H H -4.687 -5.979 -6.775 1.00 . A A . 8 LYS H 1 1 4 1232 1 1 8 LYS HA H -5.078 -7.498 -4.389 1.00 . A A . 8 LYS HA 1 1 4 1233 1 1 8 LYS HB2 H -4.630 -8.171 -7.276 1.00 . A A . 8 LYS HB2 1 1 4 1234 1 1 8 LYS HB3 H -4.543 -9.436 -6.057 1.00 . A A . 8 LYS HB3 1 1 4 1235 1 1 8 LYS HD2 H -6.250 -9.514 -8.234 1.00 . A A . 8 LYS HD2 1 1 4 1236 1 1 8 LYS HD3 H -7.913 -9.451 -7.647 1.00 . A A . 8 LYS HD3 1 1 4 1237 1 1 8 LYS HE2 H -7.686 -6.906 -7.881 1.00 . A A . 8 LYS HE2 1 1 4 1238 1 1 8 LYS HE3 H -6.259 -7.257 -8.854 1.00 . A A . 8 LYS HE3 1 1 4 1239 1 1 8 LYS HG2 H -6.771 -9.404 -5.660 1.00 . A A . 8 LYS HG2 1 1 4 1240 1 1 8 LYS HG3 H -6.916 -7.675 -5.984 1.00 . A A . 8 LYS HG3 1 1 4 1241 1 1 8 LYS HZ1 H -7.497 -8.093 -10.539 1.00 . A A . 8 LYS HZ1 1 1 4 1242 1 1 8 LYS HZ2 H -8.651 -7.029 -9.909 1.00 . A A . 8 LYS HZ2 1 1 4 1243 1 1 8 LYS HZ3 H -8.720 -8.676 -9.527 1.00 . A A . 8 LYS HZ3 1 1 4 1244 1 1 8 LYS N N -4.554 -6.099 -5.812 1.00 . A A . 8 LYS N 1 1 4 1245 1 1 8 LYS NZ N -8.081 -7.875 -9.706 1.00 . A A . 8 LYS NZ 1 1 4 1246 1 1 8 LYS O O -2.732 -8.058 -3.714 1.00 . A A . 8 LYS O 1 1 4 1247 1 1 9 VAL C C -0.121 -7.073 -4.577 1.00 . A A . 9 VAL C 1 1 4 1248 1 1 9 VAL CA C -0.713 -8.025 -5.614 1.00 . A A . 9 VAL CA 1 1 4 1249 1 1 9 VAL CB C 0.110 -7.935 -6.914 1.00 . A A . 9 VAL CB 1 1 4 1250 1 1 9 VAL CG1 C 0.033 -6.534 -7.504 1.00 . A A . 9 VAL CG1 1 1 4 1251 1 1 9 VAL CG2 C 1.556 -8.339 -6.664 1.00 . A A . 9 VAL CG2 1 1 4 1252 1 1 9 VAL H H -2.412 -7.502 -6.762 1.00 . A A . 9 VAL H 1 1 4 1253 1 1 9 VAL HA H -0.642 -9.036 -5.238 1.00 . A A . 9 VAL HA 1 1 4 1254 1 1 9 VAL HB H -0.314 -8.625 -7.630 1.00 . A A . 9 VAL HB 1 1 4 1255 1 1 9 VAL HG11 H -0.235 -5.831 -6.729 1.00 . A A . 9 VAL HG11 1 1 4 1256 1 1 9 VAL HG12 H -0.714 -6.512 -8.283 1.00 . A A . 9 VAL HG12 1 1 4 1257 1 1 9 VAL HG13 H 0.993 -6.265 -7.918 1.00 . A A . 9 VAL HG13 1 1 4 1258 1 1 9 VAL HG21 H 2.014 -7.634 -5.986 1.00 . A A . 9 VAL HG21 1 1 4 1259 1 1 9 VAL HG22 H 2.096 -8.342 -7.599 1.00 . A A . 9 VAL HG22 1 1 4 1260 1 1 9 VAL HG23 H 1.583 -9.327 -6.228 1.00 . A A . 9 VAL HG23 1 1 4 1261 1 1 9 VAL N N -2.121 -7.734 -5.855 1.00 . A A . 9 VAL N 1 1 4 1262 1 1 9 VAL O O 0.867 -7.397 -3.918 1.00 . A A . 9 VAL O 1 1 4 1263 1 1 10 CYS C C -1.016 -5.007 -2.164 1.00 . A A . 10 CYS C 1 1 4 1264 1 1 10 CYS CA C -0.256 -4.903 -3.482 1.00 . A A . 10 CYS CA 1 1 4 1265 1 1 10 CYS CB C -0.411 -3.496 -4.063 1.00 . A A . 10 CYS CB 1 1 4 1266 1 1 10 CYS H H -1.511 -5.695 -4.992 1.00 . A A . 10 CYS H 1 1 4 1267 1 1 10 CYS HA H 0.790 -5.092 -3.298 1.00 . A A . 10 CYS HA 1 1 4 1268 1 1 10 CYS HB2 H -0.346 -3.549 -5.139 1.00 . A A . 10 CYS HB2 1 1 4 1269 1 1 10 CYS HB3 H -1.379 -3.104 -3.784 1.00 . A A . 10 CYS HB3 1 1 4 1270 1 1 10 CYS N N -0.729 -5.898 -4.439 1.00 . A A . 10 CYS N 1 1 4 1271 1 1 10 CYS O O -0.445 -5.366 -1.134 1.00 . A A . 10 CYS O 1 1 4 1272 1 1 10 CYS SG S 0.852 -2.313 -3.491 1.00 . A A . 10 CYS SG 1 1 4 1273 1 1 11 ALA C C -3.358 -6.185 -0.552 1.00 . A A . 11 ALA C 1 1 4 1274 1 1 11 ALA CA C -3.144 -4.745 -1.010 1.00 . A A . 11 ALA CA 1 1 4 1275 1 1 11 ALA CB C -4.481 -4.071 -1.274 1.00 . A A . 11 ALA CB 1 1 4 1276 1 1 11 ALA H H -2.704 -4.410 -3.053 1.00 . A A . 11 ALA H 1 1 4 1277 1 1 11 ALA HA H -2.641 -4.201 -0.225 1.00 . A A . 11 ALA HA 1 1 4 1278 1 1 11 ALA HB1 H -5.217 -4.817 -1.533 1.00 . A A . 11 ALA HB1 1 1 4 1279 1 1 11 ALA HB2 H -4.376 -3.370 -2.090 1.00 . A A . 11 ALA HB2 1 1 4 1280 1 1 11 ALA HB3 H -4.799 -3.543 -0.386 1.00 . A A . 11 ALA HB3 1 1 4 1281 1 1 11 ALA N N -2.306 -4.690 -2.203 1.00 . A A . 11 ALA N 1 1 4 1282 1 1 11 ALA O O -3.256 -6.489 0.637 1.00 . A A . 11 ALA O 1 1 4 1283 1 1 12 ALA C C -2.581 -9.270 -1.159 1.00 . A A . 12 ALA C 1 1 4 1284 1 1 12 ALA CA C -3.886 -8.475 -1.198 1.00 . A A . 12 ALA CA 1 1 4 1285 1 1 12 ALA CB C -4.841 -9.082 -2.214 1.00 . A A . 12 ALA CB 1 1 4 1286 1 1 12 ALA H H -3.722 -6.762 -2.431 1.00 . A A . 12 ALA H 1 1 4 1287 1 1 12 ALA HA H -4.355 -8.531 -0.226 1.00 . A A . 12 ALA HA 1 1 4 1288 1 1 12 ALA HB1 H -4.275 -9.528 -3.019 1.00 . A A . 12 ALA HB1 1 1 4 1289 1 1 12 ALA HB2 H -5.482 -8.309 -2.611 1.00 . A A . 12 ALA HB2 1 1 4 1290 1 1 12 ALA HB3 H -5.444 -9.839 -1.735 1.00 . A A . 12 ALA HB3 1 1 4 1291 1 1 12 ALA N N -3.655 -7.066 -1.502 1.00 . A A . 12 ALA N 1 1 4 1292 1 1 12 ALA O O -2.545 -10.435 -1.554 1.00 . A A . 12 ALA O 1 1 4 1293 1 1 13 ALA C C 0.244 -9.461 0.850 1.00 . A A . 13 ALA C 1 1 4 1294 1 1 13 ALA CA C -0.211 -9.300 -0.600 1.00 . A A . 13 ALA CA 1 1 4 1295 1 1 13 ALA CB C 0.825 -8.521 -1.397 1.00 . A A . 13 ALA CB 1 1 4 1296 1 1 13 ALA H H -1.592 -7.713 -0.383 1.00 . A A . 13 ALA H 1 1 4 1297 1 1 13 ALA HA H -0.308 -10.279 -1.046 1.00 . A A . 13 ALA HA 1 1 4 1298 1 1 13 ALA HB1 H 0.480 -7.510 -1.547 1.00 . A A . 13 ALA HB1 1 1 4 1299 1 1 13 ALA HB2 H 0.973 -8.996 -2.356 1.00 . A A . 13 ALA HB2 1 1 4 1300 1 1 13 ALA HB3 H 1.760 -8.506 -0.856 1.00 . A A . 13 ALA HB3 1 1 4 1301 1 1 13 ALA N N -1.509 -8.640 -0.684 1.00 . A A . 13 ALA N 1 1 4 1302 1 1 13 ALA O O 1.324 -9.990 1.112 1.00 . A A . 13 ALA O 1 1 4 1303 1 1 14 ALA C C 1.054 -8.383 3.520 1.00 . A A . 14 ALA C 1 1 4 1304 1 1 14 ALA CA C -0.251 -9.104 3.207 1.00 . A A . 14 ALA CA 1 1 4 1305 1 1 14 ALA CB C -0.164 -10.564 3.625 1.00 . A A . 14 ALA CB 1 1 4 1306 1 1 14 ALA H H -1.428 -8.592 1.525 1.00 . A A . 14 ALA H 1 1 4 1307 1 1 14 ALA HA H -1.050 -8.641 3.767 1.00 . A A . 14 ALA HA 1 1 4 1308 1 1 14 ALA HB1 H 0.869 -10.880 3.614 1.00 . A A . 14 ALA HB1 1 1 4 1309 1 1 14 ALA HB2 H -0.733 -11.171 2.937 1.00 . A A . 14 ALA HB2 1 1 4 1310 1 1 14 ALA HB3 H -0.564 -10.678 4.622 1.00 . A A . 14 ALA HB3 1 1 4 1311 1 1 14 ALA N N -0.581 -9.004 1.790 1.00 . A A . 14 ALA N 1 1 4 1312 1 1 14 ALA O O 1.799 -8.786 4.414 1.00 . A A . 14 ALA O 1 1 4 1313 1 1 15 ASN C C 2.212 -5.073 3.270 1.00 . A A . 15 ASN C 1 1 4 1314 1 1 15 ASN CA C 2.543 -6.534 2.979 1.00 . A A . 15 ASN CA 1 1 4 1315 1 1 15 ASN CB C 3.443 -6.631 1.745 1.00 . A A . 15 ASN CB 1 1 4 1316 1 1 15 ASN CG C 4.901 -6.836 2.107 1.00 . A A . 15 ASN CG 1 1 4 1317 1 1 15 ASN H H 0.694 -7.041 2.083 1.00 . A A . 15 ASN H 1 1 4 1318 1 1 15 ASN HA H 3.066 -6.948 3.829 1.00 . A A . 15 ASN HA 1 1 4 1319 1 1 15 ASN HB2 H 3.122 -7.465 1.138 1.00 . A A . 15 ASN HB2 1 1 4 1320 1 1 15 ASN HB3 H 3.358 -5.720 1.171 1.00 . A A . 15 ASN HB3 1 1 4 1321 1 1 15 ASN HD21 H 4.815 -5.332 3.407 1.00 . A A . 15 ASN HD21 1 1 4 1322 1 1 15 ASN HD22 H 6.345 -6.125 3.275 1.00 . A A . 15 ASN HD22 1 1 4 1323 1 1 15 ASN N N 1.326 -7.313 2.780 1.00 . A A . 15 ASN N 1 1 4 1324 1 1 15 ASN ND2 N 5.404 -6.014 3.022 1.00 . A A . 15 ASN ND2 1 1 4 1325 1 1 15 ASN O O 1.434 -4.447 2.551 1.00 . A A . 15 ASN O 1 1 4 1326 1 1 15 ASN OD1 O 5.567 -7.721 1.572 1.00 . A A . 15 ASN OD1 1 1 4 1327 1 1 16 VAL C C 3.687 -2.242 4.197 1.00 . A A . 16 VAL C 1 1 4 1328 1 1 16 VAL CA C 2.577 -3.149 4.715 1.00 . A A . 16 VAL CA 1 1 4 1329 1 1 16 VAL CB C 2.482 -3.000 6.246 1.00 . A A . 16 VAL CB 1 1 4 1330 1 1 16 VAL CG1 C 2.045 -1.592 6.619 1.00 . A A . 16 VAL CG1 1 1 4 1331 1 1 16 VAL CG2 C 1.528 -4.034 6.824 1.00 . A A . 16 VAL CG2 1 1 4 1332 1 1 16 VAL H H 3.420 -5.085 4.864 1.00 . A A . 16 VAL H 1 1 4 1333 1 1 16 VAL HA H 1.638 -2.835 4.284 1.00 . A A . 16 VAL HA 1 1 4 1334 1 1 16 VAL HB H 3.462 -3.171 6.665 1.00 . A A . 16 VAL HB 1 1 4 1335 1 1 16 VAL HG11 H 0.969 -1.563 6.712 1.00 . A A . 16 VAL HG11 1 1 4 1336 1 1 16 VAL HG12 H 2.358 -0.902 5.850 1.00 . A A . 16 VAL HG12 1 1 4 1337 1 1 16 VAL HG13 H 2.495 -1.313 7.559 1.00 . A A . 16 VAL HG13 1 1 4 1338 1 1 16 VAL HG21 H 0.751 -4.249 6.105 1.00 . A A . 16 VAL HG21 1 1 4 1339 1 1 16 VAL HG22 H 1.084 -3.648 7.730 1.00 . A A . 16 VAL HG22 1 1 4 1340 1 1 16 VAL HG23 H 2.072 -4.940 7.048 1.00 . A A . 16 VAL HG23 1 1 4 1341 1 1 16 VAL N N 2.809 -4.536 4.329 1.00 . A A . 16 VAL N 1 1 4 1342 1 1 16 VAL O O 3.444 -1.352 3.382 1.00 . A A . 16 VAL O 1 1 4 1343 1 1 17 ALA C C 6.269 -1.766 2.753 1.00 . A A . 17 ALA C 1 1 4 1344 1 1 17 ALA CA C 6.053 -1.674 4.259 1.00 . A A . 17 ALA CA 1 1 4 1345 1 1 17 ALA CB C 7.302 -2.122 5.001 1.00 . A A . 17 ALA CB 1 1 4 1346 1 1 17 ALA H H 5.036 -3.196 5.322 1.00 . A A . 17 ALA H 1 1 4 1347 1 1 17 ALA HA H 5.856 -0.645 4.522 1.00 . A A . 17 ALA HA 1 1 4 1348 1 1 17 ALA HB1 H 7.478 -3.170 4.813 1.00 . A A . 17 ALA HB1 1 1 4 1349 1 1 17 ALA HB2 H 7.168 -1.964 6.061 1.00 . A A . 17 ALA HB2 1 1 4 1350 1 1 17 ALA HB3 H 8.151 -1.548 4.657 1.00 . A A . 17 ALA HB3 1 1 4 1351 1 1 17 ALA N N 4.906 -2.472 4.674 1.00 . A A . 17 ALA N 1 1 4 1352 1 1 17 ALA O O 6.545 -0.763 2.093 1.00 . A A . 17 ALA O 1 1 4 1353 1 1 18 ALA C C 5.342 -2.359 -0.030 1.00 . A A . 18 ALA C 1 1 4 1354 1 1 18 ALA CA C 6.323 -3.196 0.784 1.00 . A A . 18 ALA CA 1 1 4 1355 1 1 18 ALA CB C 6.161 -4.672 0.455 1.00 . A A . 18 ALA CB 1 1 4 1356 1 1 18 ALA H H 5.921 -3.734 2.791 1.00 . A A . 18 ALA H 1 1 4 1357 1 1 18 ALA HA H 7.330 -2.903 0.526 1.00 . A A . 18 ALA HA 1 1 4 1358 1 1 18 ALA HB1 H 6.559 -4.868 -0.530 1.00 . A A . 18 ALA HB1 1 1 4 1359 1 1 18 ALA HB2 H 5.112 -4.932 0.476 1.00 . A A . 18 ALA HB2 1 1 4 1360 1 1 18 ALA HB3 H 6.693 -5.264 1.184 1.00 . A A . 18 ALA HB3 1 1 4 1361 1 1 18 ALA N N 6.142 -2.974 2.213 1.00 . A A . 18 ALA N 1 1 4 1362 1 1 18 ALA O O 5.646 -1.936 -1.145 1.00 . A A . 18 ALA O 1 1 4 1363 1 1 19 HIS C C 3.482 0.152 -0.103 1.00 . A A . 19 HIS C 1 1 4 1364 1 1 19 HIS CA C 3.135 -1.337 -0.138 1.00 . A A . 19 HIS CA 1 1 4 1365 1 1 19 HIS CB C 1.766 -1.587 0.514 1.00 . A A . 19 HIS CB 1 1 4 1366 1 1 19 HIS CD2 C 0.415 0.468 1.310 1.00 . A A . 19 HIS CD2 1 1 4 1367 1 1 19 HIS CE1 C -0.551 0.912 -0.586 1.00 . A A . 19 HIS CE1 1 1 4 1368 1 1 19 HIS CG C 0.807 -0.440 0.381 1.00 . A A . 19 HIS CG 1 1 4 1369 1 1 19 HIS H H 3.979 -2.487 1.427 1.00 . A A . 19 HIS H 1 1 4 1370 1 1 19 HIS HA H 3.097 -1.659 -1.167 1.00 . A A . 19 HIS HA 1 1 4 1371 1 1 19 HIS HB2 H 1.310 -2.451 0.054 1.00 . A A . 19 HIS HB2 1 1 4 1372 1 1 19 HIS HB3 H 1.908 -1.781 1.567 1.00 . A A . 19 HIS HB3 1 1 4 1373 1 1 19 HIS HD2 H 0.733 0.520 2.337 1.00 . A A . 19 HIS HD2 1 1 4 1374 1 1 19 HIS HE1 H -1.132 1.407 -1.348 1.00 . A A . 19 HIS HE1 1 1 4 1375 1 1 19 HIS HE2 H -0.760 2.187 1.035 1.00 . A A . 19 HIS HE2 1 1 4 1376 1 1 19 HIS N N 4.162 -2.124 0.536 1.00 . A A . 19 HIS N 1 1 4 1377 1 1 19 HIS ND1 N 0.189 -0.151 -0.809 1.00 . A A . 19 HIS ND1 1 1 4 1378 1 1 19 HIS NE2 N -0.451 1.326 0.683 1.00 . A A . 19 HIS NE2 1 1 4 1379 1 1 19 HIS O O 3.677 0.777 -1.143 1.00 . A A . 19 HIS O 1 1 4 1380 1 1 20 MET C C 5.046 2.560 0.424 1.00 . A A . 20 MET C 1 1 4 1381 1 1 20 MET CA C 3.857 2.130 1.282 1.00 . A A . 20 MET CA 1 1 4 1382 1 1 20 MET CB C 4.148 2.425 2.756 1.00 . A A . 20 MET CB 1 1 4 1383 1 1 20 MET CE C 4.207 3.441 5.849 1.00 . A A . 20 MET CE 1 1 4 1384 1 1 20 MET CG C 2.911 2.385 3.638 1.00 . A A . 20 MET CG 1 1 4 1385 1 1 20 MET H H 3.374 0.160 1.895 1.00 . A A . 20 MET H 1 1 4 1386 1 1 20 MET HA H 2.990 2.697 0.978 1.00 . A A . 20 MET HA 1 1 4 1387 1 1 20 MET HB2 H 4.852 1.694 3.124 1.00 . A A . 20 MET HB2 1 1 4 1388 1 1 20 MET HB3 H 4.588 3.407 2.834 1.00 . A A . 20 MET HB3 1 1 4 1389 1 1 20 MET HE1 H 3.533 4.285 5.902 1.00 . A A . 20 MET HE1 1 1 4 1390 1 1 20 MET HE2 H 4.982 3.644 5.126 1.00 . A A . 20 MET HE2 1 1 4 1391 1 1 20 MET HE3 H 4.652 3.275 6.818 1.00 . A A . 20 MET HE3 1 1 4 1392 1 1 20 MET HG2 H 2.434 3.354 3.610 1.00 . A A . 20 MET HG2 1 1 4 1393 1 1 20 MET HG3 H 2.233 1.640 3.250 1.00 . A A . 20 MET HG3 1 1 4 1394 1 1 20 MET N N 3.547 0.713 1.103 1.00 . A A . 20 MET N 1 1 4 1395 1 1 20 MET O O 5.010 3.611 -0.217 1.00 . A A . 20 MET O 1 1 4 1396 1 1 20 MET SD S 3.295 1.981 5.352 1.00 . A A . 20 MET SD 1 1 4 1397 1 1 21 THR C C 6.949 2.235 -1.845 1.00 . A A . 21 THR C 1 1 4 1398 1 1 21 THR CA C 7.292 2.054 -0.368 1.00 . A A . 21 THR CA 1 1 4 1399 1 1 21 THR CB C 8.332 0.943 -0.206 1.00 . A A . 21 THR CB 1 1 4 1400 1 1 21 THR CG2 C 7.875 -0.391 -0.752 1.00 . A A . 21 THR CG2 1 1 4 1401 1 1 21 THR H H 6.070 0.923 0.945 1.00 . A A . 21 THR H 1 1 4 1402 1 1 21 THR HA H 7.705 2.977 0.009 1.00 . A A . 21 THR HA 1 1 4 1403 1 1 21 THR HB H 8.545 0.815 0.845 1.00 . A A . 21 THR HB 1 1 4 1404 1 1 21 THR HG1 H 9.380 1.349 -1.810 1.00 . A A . 21 THR HG1 1 1 4 1405 1 1 21 THR HG21 H 7.155 -0.231 -1.542 1.00 . A A . 21 THR HG21 1 1 4 1406 1 1 21 THR HG22 H 7.418 -0.966 0.040 1.00 . A A . 21 THR HG22 1 1 4 1407 1 1 21 THR HG23 H 8.725 -0.930 -1.144 1.00 . A A . 21 THR HG23 1 1 4 1408 1 1 21 THR N N 6.098 1.747 0.414 1.00 . A A . 21 THR N 1 1 4 1409 1 1 21 THR O O 7.658 2.927 -2.577 1.00 . A A . 21 THR O 1 1 4 1410 1 1 21 THR OG1 O 9.538 1.287 -0.866 1.00 . A A . 21 THR OG1 1 1 4 1411 1 1 22 HIS C C 4.056 2.383 -3.762 1.00 . A A . 22 HIS C 1 1 4 1412 1 1 22 HIS CA C 5.418 1.693 -3.661 1.00 . A A . 22 HIS CA 1 1 4 1413 1 1 22 HIS CB C 5.367 0.278 -4.270 1.00 . A A . 22 HIS CB 1 1 4 1414 1 1 22 HIS CD2 C 2.797 -0.114 -4.510 1.00 . A A . 22 HIS CD2 1 1 4 1415 1 1 22 HIS CE1 C 2.767 -0.681 -6.629 1.00 . A A . 22 HIS CE1 1 1 4 1416 1 1 22 HIS CG C 4.079 -0.073 -4.964 1.00 . A A . 22 HIS CG 1 1 4 1417 1 1 22 HIS H H 5.340 1.073 -1.650 1.00 . A A . 22 HIS H 1 1 4 1418 1 1 22 HIS HA H 6.141 2.278 -4.193 1.00 . A A . 22 HIS HA 1 1 4 1419 1 1 22 HIS HB2 H 6.161 0.183 -4.995 1.00 . A A . 22 HIS HB2 1 1 4 1420 1 1 22 HIS HB3 H 5.524 -0.444 -3.483 1.00 . A A . 22 HIS HB3 1 1 4 1421 1 1 22 HIS HD1 H 4.786 -0.499 -6.903 1.00 . A A . 22 HIS HD1 1 1 4 1422 1 1 22 HIS HD2 H 2.456 0.118 -3.503 1.00 . A A . 22 HIS HD2 1 1 4 1423 1 1 22 HIS HE1 H 2.422 -0.984 -7.607 1.00 . A A . 22 HIS HE1 1 1 4 1424 1 1 22 HIS HE2 H 1.027 -0.540 -5.558 1.00 . A A . 22 HIS HE2 1 1 4 1425 1 1 22 HIS N N 5.860 1.607 -2.277 1.00 . A A . 22 HIS N 1 1 4 1426 1 1 22 HIS ND1 N 4.021 -0.433 -6.294 1.00 . A A . 22 HIS ND1 1 1 4 1427 1 1 22 HIS NE2 N 2.006 -0.494 -5.566 1.00 . A A . 22 HIS NE2 1 1 4 1428 1 1 22 HIS O O 3.467 2.466 -4.839 1.00 . A A . 22 HIS O 1 1 4 1429 1 1 23 CYS C C 2.250 4.659 -1.597 1.00 . A A . 23 CYS C 1 1 4 1430 1 1 23 CYS CA C 2.254 3.501 -2.592 1.00 . A A . 23 CYS CA 1 1 4 1431 1 1 23 CYS CB C 1.213 2.463 -2.185 1.00 . A A . 23 CYS CB 1 1 4 1432 1 1 23 CYS H H 4.048 2.750 -1.801 1.00 . A A . 23 CYS H 1 1 4 1433 1 1 23 CYS HA H 2.023 3.871 -3.578 1.00 . A A . 23 CYS HA 1 1 4 1434 1 1 23 CYS HB2 H 1.705 1.686 -1.619 1.00 . A A . 23 CYS HB2 1 1 4 1435 1 1 23 CYS HB3 H 0.477 2.933 -1.556 1.00 . A A . 23 CYS HB3 1 1 4 1436 1 1 23 CYS N N 3.550 2.856 -2.632 1.00 . A A . 23 CYS N 1 1 4 1437 1 1 23 CYS O O 1.243 4.925 -0.941 1.00 . A A . 23 CYS O 1 1 4 1438 1 1 23 CYS SG S 0.347 1.655 -3.573 1.00 . A A . 23 CYS SG 1 1 4 1439 1 1 24 ALA C C 2.487 7.558 -0.896 1.00 . A A . 24 ALA C 1 1 4 1440 1 1 24 ALA CA C 3.512 6.474 -0.578 1.00 . A A . 24 ALA CA 1 1 4 1441 1 1 24 ALA CB C 4.922 7.043 -0.638 1.00 . A A . 24 ALA CB 1 1 4 1442 1 1 24 ALA H H 4.152 5.085 -2.041 1.00 . A A . 24 ALA H 1 1 4 1443 1 1 24 ALA HA H 3.338 6.112 0.425 1.00 . A A . 24 ALA HA 1 1 4 1444 1 1 24 ALA HB1 H 5.245 7.093 -1.667 1.00 . A A . 24 ALA HB1 1 1 4 1445 1 1 24 ALA HB2 H 5.592 6.405 -0.080 1.00 . A A . 24 ALA HB2 1 1 4 1446 1 1 24 ALA HB3 H 4.928 8.034 -0.210 1.00 . A A . 24 ALA HB3 1 1 4 1447 1 1 24 ALA N N 3.383 5.345 -1.491 1.00 . A A . 24 ALA N 1 1 4 1448 1 1 24 ALA O O 1.794 7.492 -1.910 1.00 . A A . 24 ALA O 1 1 4 1449 1 1 25 LYS C C 2.179 10.998 -0.175 1.00 . A A . 25 LYS C 1 1 4 1450 1 1 25 LYS CA C 1.458 9.654 -0.209 1.00 . A A . 25 LYS CA 1 1 4 1451 1 1 25 LYS CB C 0.376 9.617 0.872 1.00 . A A . 25 LYS CB 1 1 4 1452 1 1 25 LYS CD C -1.185 11.199 2.045 1.00 . A A . 25 LYS CD 1 1 4 1453 1 1 25 LYS CE C -1.813 10.086 2.868 1.00 . A A . 25 LYS CE 1 1 4 1454 1 1 25 LYS CG C -0.690 10.686 0.702 1.00 . A A . 25 LYS CG 1 1 4 1455 1 1 25 LYS H H 2.978 8.551 0.769 1.00 . A A . 25 LYS H 1 1 4 1456 1 1 25 LYS HA H 0.993 9.533 -1.175 1.00 . A A . 25 LYS HA 1 1 4 1457 1 1 25 LYS HB2 H -0.107 8.650 0.849 1.00 . A A . 25 LYS HB2 1 1 4 1458 1 1 25 LYS HB3 H 0.841 9.753 1.837 1.00 . A A . 25 LYS HB3 1 1 4 1459 1 1 25 LYS HD2 H -0.350 11.610 2.592 1.00 . A A . 25 LYS HD2 1 1 4 1460 1 1 25 LYS HD3 H -1.923 11.970 1.876 1.00 . A A . 25 LYS HD3 1 1 4 1461 1 1 25 LYS HE2 H -1.232 9.186 2.737 1.00 . A A . 25 LYS HE2 1 1 4 1462 1 1 25 LYS HE3 H -1.799 10.374 3.909 1.00 . A A . 25 LYS HE3 1 1 4 1463 1 1 25 LYS HG2 H -0.274 11.512 0.145 1.00 . A A . 25 LYS HG2 1 1 4 1464 1 1 25 LYS HG3 H -1.524 10.266 0.157 1.00 . A A . 25 LYS HG3 1 1 4 1465 1 1 25 LYS HZ1 H -3.831 10.612 2.738 1.00 . A A . 25 LYS HZ1 1 1 4 1466 1 1 25 LYS HZ2 H -3.566 8.951 2.917 1.00 . A A . 25 LYS HZ2 1 1 4 1467 1 1 25 LYS HZ3 H -3.275 9.697 1.428 1.00 . A A . 25 LYS HZ3 1 1 4 1468 1 1 25 LYS N N 2.398 8.555 -0.021 1.00 . A A . 25 LYS N 1 1 4 1469 1 1 25 LYS NZ N -3.219 9.818 2.460 1.00 . A A . 25 LYS NZ 1 1 4 1470 1 1 25 LYS O O 3.091 11.158 0.661 1.00 . A A . 25 LYS O 1 1 4 1471 1 1 25 LYS OXT O 1.824 11.879 -0.987 1.00 . A A . 25 LYS OXT 1 1 4 1472 2 2 1 ZN ZN ZN -0.231 -0.428 -2.732 1.00 . B A . 26 ZN ZN 1 1 5 1473 1 1 1 ARG C C -2.473 -1.045 5.988 1.00 . A A . 1 ARG C 1 1 5 1474 1 1 1 ARG CA C -2.354 -1.197 7.501 1.00 . A A . 1 ARG CA 1 1 5 1475 1 1 1 ARG CB C -3.616 -0.670 8.185 1.00 . A A . 1 ARG CB 1 1 5 1476 1 1 1 ARG CD C -5.210 -2.499 8.843 1.00 . A A . 1 ARG CD 1 1 5 1477 1 1 1 ARG CG C -4.876 -1.434 7.810 1.00 . A A . 1 ARG CG 1 1 5 1478 1 1 1 ARG CZ C -5.932 -2.631 11.196 1.00 . A A . 1 ARG CZ 1 1 5 1479 1 1 1 ARG H1 H -1.392 0.567 7.940 1.00 . A A . 1 ARG H1 1 1 5 1480 1 1 1 ARG H2 H -0.356 -0.712 7.452 1.00 . A A . 1 ARG H2 1 1 5 1481 1 1 1 ARG H3 H -1.052 -0.720 9.020 1.00 . A A . 1 ARG H3 1 1 5 1482 1 1 1 ARG HA H -2.229 -2.243 7.741 1.00 . A A . 1 ARG HA 1 1 5 1483 1 1 1 ARG HB2 H -3.486 -0.736 9.255 1.00 . A A . 1 ARG HB2 1 1 5 1484 1 1 1 ARG HB3 H -3.755 0.365 7.911 1.00 . A A . 1 ARG HB3 1 1 5 1485 1 1 1 ARG HD2 H -6.037 -3.088 8.479 1.00 . A A . 1 ARG HD2 1 1 5 1486 1 1 1 ARG HD3 H -4.347 -3.133 8.978 1.00 . A A . 1 ARG HD3 1 1 5 1487 1 1 1 ARG HE H -5.556 -0.938 10.208 1.00 . A A . 1 ARG HE 1 1 5 1488 1 1 1 ARG HG2 H -5.700 -0.740 7.744 1.00 . A A . 1 ARG HG2 1 1 5 1489 1 1 1 ARG HG3 H -4.725 -1.910 6.852 1.00 . A A . 1 ARG HG3 1 1 5 1490 1 1 1 ARG HH11 H -5.733 -4.423 10.278 1.00 . A A . 1 ARG HH11 1 1 5 1491 1 1 1 ARG HH12 H -6.239 -4.489 11.932 1.00 . A A . 1 ARG HH12 1 1 5 1492 1 1 1 ARG HH21 H -6.222 -1.022 12.385 1.00 . A A . 1 ARG HH21 1 1 5 1493 1 1 1 ARG HH22 H -6.518 -2.559 13.129 1.00 . A A . 1 ARG HH22 1 1 5 1494 1 1 1 ARG N N -1.183 -0.448 8.026 1.00 . A A . 1 ARG N 1 1 5 1495 1 1 1 ARG NE N -5.576 -1.915 10.132 1.00 . A A . 1 ARG NE 1 1 5 1496 1 1 1 ARG NH1 N -5.971 -3.956 11.129 1.00 . A A . 1 ARG NH1 1 1 5 1497 1 1 1 ARG NH2 N -6.249 -2.021 12.330 1.00 . A A . 1 ARG NH2 1 1 5 1498 1 1 1 ARG O O -2.849 0.014 5.488 1.00 . A A . 1 ARG O 1 1 5 1499 1 1 2 VAL C C -3.644 -2.357 3.324 1.00 . A A . 2 VAL C 1 1 5 1500 1 1 2 VAL CA C -2.219 -2.097 3.808 1.00 . A A . 2 VAL CA 1 1 5 1501 1 1 2 VAL CB C -1.271 -3.144 3.190 1.00 . A A . 2 VAL CB 1 1 5 1502 1 1 2 VAL CG1 C -1.665 -4.549 3.623 1.00 . A A . 2 VAL CG1 1 1 5 1503 1 1 2 VAL CG2 C -1.258 -3.029 1.673 1.00 . A A . 2 VAL CG2 1 1 5 1504 1 1 2 VAL H H -1.855 -2.928 5.720 1.00 . A A . 2 VAL H 1 1 5 1505 1 1 2 VAL HA H -1.909 -1.119 3.471 1.00 . A A . 2 VAL HA 1 1 5 1506 1 1 2 VAL HB H -0.271 -2.950 3.551 1.00 . A A . 2 VAL HB 1 1 5 1507 1 1 2 VAL HG11 H -0.775 -5.140 3.782 1.00 . A A . 2 VAL HG11 1 1 5 1508 1 1 2 VAL HG12 H -2.268 -5.007 2.853 1.00 . A A . 2 VAL HG12 1 1 5 1509 1 1 2 VAL HG13 H -2.230 -4.497 4.541 1.00 . A A . 2 VAL HG13 1 1 5 1510 1 1 2 VAL HG21 H -2.184 -2.590 1.336 1.00 . A A . 2 VAL HG21 1 1 5 1511 1 1 2 VAL HG22 H -1.147 -4.013 1.238 1.00 . A A . 2 VAL HG22 1 1 5 1512 1 1 2 VAL HG23 H -0.431 -2.407 1.366 1.00 . A A . 2 VAL HG23 1 1 5 1513 1 1 2 VAL N N -2.149 -2.112 5.264 1.00 . A A . 2 VAL N 1 1 5 1514 1 1 2 VAL O O -3.901 -3.315 2.595 1.00 . A A . 2 VAL O 1 1 5 1515 1 1 3 ILE C C -6.386 -0.499 2.408 1.00 . A A . 3 ILE C 1 1 5 1516 1 1 3 ILE CA C -5.967 -1.628 3.346 1.00 . A A . 3 ILE CA 1 1 5 1517 1 1 3 ILE CB C -6.894 -1.636 4.578 1.00 . A A . 3 ILE CB 1 1 5 1518 1 1 3 ILE CD1 C -8.568 -3.255 3.548 1.00 . A A . 3 ILE CD1 1 1 5 1519 1 1 3 ILE CG1 C -8.344 -1.888 4.155 1.00 . A A . 3 ILE CG1 1 1 5 1520 1 1 3 ILE CG2 C -6.779 -0.325 5.342 1.00 . A A . 3 ILE CG2 1 1 5 1521 1 1 3 ILE H H -4.303 -0.751 4.316 1.00 . A A . 3 ILE H 1 1 5 1522 1 1 3 ILE HA H -6.080 -2.571 2.831 1.00 . A A . 3 ILE HA 1 1 5 1523 1 1 3 ILE HB H -6.577 -2.433 5.233 1.00 . A A . 3 ILE HB 1 1 5 1524 1 1 3 ILE HD11 H -9.085 -3.150 2.605 1.00 . A A . 3 ILE HD11 1 1 5 1525 1 1 3 ILE HD12 H -9.163 -3.854 4.221 1.00 . A A . 3 ILE HD12 1 1 5 1526 1 1 3 ILE HD13 H -7.616 -3.736 3.384 1.00 . A A . 3 ILE HD13 1 1 5 1527 1 1 3 ILE HG12 H -8.985 -1.800 5.019 1.00 . A A . 3 ILE HG12 1 1 5 1528 1 1 3 ILE HG13 H -8.632 -1.146 3.423 1.00 . A A . 3 ILE HG13 1 1 5 1529 1 1 3 ILE HG21 H -7.447 -0.342 6.190 1.00 . A A . 3 ILE HG21 1 1 5 1530 1 1 3 ILE HG22 H -7.044 0.496 4.691 1.00 . A A . 3 ILE HG22 1 1 5 1531 1 1 3 ILE HG23 H -5.763 -0.197 5.686 1.00 . A A . 3 ILE HG23 1 1 5 1532 1 1 3 ILE N N -4.568 -1.494 3.736 1.00 . A A . 3 ILE N 1 1 5 1533 1 1 3 ILE O O -7.256 -0.678 1.556 1.00 . A A . 3 ILE O 1 1 5 1534 1 1 4 ALA C C -5.824 1.521 0.266 1.00 . A A . 4 ALA C 1 1 5 1535 1 1 4 ALA CA C -6.070 1.820 1.741 1.00 . A A . 4 ALA CA 1 1 5 1536 1 1 4 ALA CB C -5.246 3.020 2.182 1.00 . A A . 4 ALA CB 1 1 5 1537 1 1 4 ALA H H -5.077 0.744 3.268 1.00 . A A . 4 ALA H 1 1 5 1538 1 1 4 ALA HA H -7.114 2.060 1.879 1.00 . A A . 4 ALA HA 1 1 5 1539 1 1 4 ALA HB1 H -5.721 3.490 3.031 1.00 . A A . 4 ALA HB1 1 1 5 1540 1 1 4 ALA HB2 H -5.178 3.729 1.371 1.00 . A A . 4 ALA HB2 1 1 5 1541 1 1 4 ALA HB3 H -4.254 2.693 2.460 1.00 . A A . 4 ALA HB3 1 1 5 1542 1 1 4 ALA N N -5.762 0.662 2.572 1.00 . A A . 4 ALA N 1 1 5 1543 1 1 4 ALA O O -6.491 2.071 -0.608 1.00 . A A . 4 ALA O 1 1 5 1544 1 1 5 CYS C C -5.730 -0.341 -2.079 1.00 . A A . 5 CYS C 1 1 5 1545 1 1 5 CYS CA C -4.526 0.275 -1.373 1.00 . A A . 5 CYS CA 1 1 5 1546 1 1 5 CYS CB C -3.354 -0.709 -1.388 1.00 . A A . 5 CYS CB 1 1 5 1547 1 1 5 CYS H H -4.361 0.240 0.738 1.00 . A A . 5 CYS H 1 1 5 1548 1 1 5 CYS HA H -4.237 1.173 -1.898 1.00 . A A . 5 CYS HA 1 1 5 1549 1 1 5 CYS HB2 H -2.629 -0.405 -0.650 1.00 . A A . 5 CYS HB2 1 1 5 1550 1 1 5 CYS HB3 H -3.719 -1.695 -1.143 1.00 . A A . 5 CYS HB3 1 1 5 1551 1 1 5 CYS N N -4.859 0.646 -0.002 1.00 . A A . 5 CYS N 1 1 5 1552 1 1 5 CYS O O -6.662 -0.820 -1.434 1.00 . A A . 5 CYS O 1 1 5 1553 1 1 5 CYS SG S -2.498 -0.816 -2.995 1.00 . A A . 5 CYS SG 1 1 5 1554 1 1 6 PHE C C -6.261 -1.876 -5.230 1.00 . A A . 6 PHE C 1 1 5 1555 1 1 6 PHE CA C -6.791 -0.883 -4.202 1.00 . A A . 6 PHE CA 1 1 5 1556 1 1 6 PHE CB C -7.559 0.237 -4.907 1.00 . A A . 6 PHE CB 1 1 5 1557 1 1 6 PHE CD1 C -5.724 1.875 -5.401 1.00 . A A . 6 PHE CD1 1 1 5 1558 1 1 6 PHE CD2 C -6.925 0.933 -7.233 1.00 . A A . 6 PHE CD2 1 1 5 1559 1 1 6 PHE CE1 C -4.950 2.608 -6.280 1.00 . A A . 6 PHE CE1 1 1 5 1560 1 1 6 PHE CE2 C -6.153 1.662 -8.118 1.00 . A A . 6 PHE CE2 1 1 5 1561 1 1 6 PHE CG C -6.719 1.031 -5.865 1.00 . A A . 6 PHE CG 1 1 5 1562 1 1 6 PHE CZ C -5.165 2.501 -7.640 1.00 . A A . 6 PHE CZ 1 1 5 1563 1 1 6 PHE H H -4.930 0.071 -3.865 1.00 . A A . 6 PHE H 1 1 5 1564 1 1 6 PHE HA H -7.460 -1.399 -3.531 1.00 . A A . 6 PHE HA 1 1 5 1565 1 1 6 PHE HB2 H -8.379 -0.193 -5.462 1.00 . A A . 6 PHE HB2 1 1 5 1566 1 1 6 PHE HB3 H -7.952 0.917 -4.165 1.00 . A A . 6 PHE HB3 1 1 5 1567 1 1 6 PHE HD1 H -5.556 1.960 -4.337 1.00 . A A . 6 PHE HD1 1 1 5 1568 1 1 6 PHE HD2 H -7.698 0.278 -7.607 1.00 . A A . 6 PHE HD2 1 1 5 1569 1 1 6 PHE HE1 H -4.177 3.262 -5.905 1.00 . A A . 6 PHE HE1 1 1 5 1570 1 1 6 PHE HE2 H -6.323 1.577 -9.181 1.00 . A A . 6 PHE HE2 1 1 5 1571 1 1 6 PHE HZ H -4.561 3.072 -8.330 1.00 . A A . 6 PHE HZ 1 1 5 1572 1 1 6 PHE N N -5.702 -0.325 -3.407 1.00 . A A . 6 PHE N 1 1 5 1573 1 1 6 PHE O O -6.821 -2.019 -6.316 1.00 . A A . 6 PHE O 1 1 5 1574 1 1 7 LEU C C -4.509 -4.916 -5.108 1.00 . A A . 7 LEU C 1 1 5 1575 1 1 7 LEU CA C -4.571 -3.544 -5.770 1.00 . A A . 7 LEU CA 1 1 5 1576 1 1 7 LEU CB C -3.166 -3.096 -6.177 1.00 . A A . 7 LEU CB 1 1 5 1577 1 1 7 LEU CD1 C -1.734 -1.494 -7.468 1.00 . A A . 7 LEU CD1 1 1 5 1578 1 1 7 LEU CD2 C -3.458 -2.863 -8.654 1.00 . A A . 7 LEU CD2 1 1 5 1579 1 1 7 LEU CG C -3.110 -2.135 -7.365 1.00 . A A . 7 LEU CG 1 1 5 1580 1 1 7 LEU H H -4.777 -2.404 -3.999 1.00 . A A . 7 LEU H 1 1 5 1581 1 1 7 LEU HA H -5.187 -3.613 -6.655 1.00 . A A . 7 LEU HA 1 1 5 1582 1 1 7 LEU HB2 H -2.706 -2.613 -5.327 1.00 . A A . 7 LEU HB2 1 1 5 1583 1 1 7 LEU HB3 H -2.589 -3.974 -6.425 1.00 . A A . 7 LEU HB3 1 1 5 1584 1 1 7 LEU HD11 H -1.028 -2.216 -7.850 1.00 . A A . 7 LEU HD11 1 1 5 1585 1 1 7 LEU HD12 H -1.417 -1.162 -6.491 1.00 . A A . 7 LEU HD12 1 1 5 1586 1 1 7 LEU HD13 H -1.781 -0.648 -8.138 1.00 . A A . 7 LEU HD13 1 1 5 1587 1 1 7 LEU HD21 H -2.917 -2.419 -9.476 1.00 . A A . 7 LEU HD21 1 1 5 1588 1 1 7 LEU HD22 H -4.520 -2.782 -8.837 1.00 . A A . 7 LEU HD22 1 1 5 1589 1 1 7 LEU HD23 H -3.187 -3.905 -8.565 1.00 . A A . 7 LEU HD23 1 1 5 1590 1 1 7 LEU HG H -3.834 -1.348 -7.217 1.00 . A A . 7 LEU HG 1 1 5 1591 1 1 7 LEU N N -5.178 -2.563 -4.879 1.00 . A A . 7 LEU N 1 1 5 1592 1 1 7 LEU O O -4.380 -5.022 -3.889 1.00 . A A . 7 LEU O 1 1 5 1593 1 1 8 LYS C C -3.141 -7.708 -4.988 1.00 . A A . 8 LYS C 1 1 5 1594 1 1 8 LYS CA C -4.558 -7.330 -5.410 1.00 . A A . 8 LYS CA 1 1 5 1595 1 1 8 LYS CB C -5.063 -8.309 -6.472 1.00 . A A . 8 LYS CB 1 1 5 1596 1 1 8 LYS CD C -6.686 -8.400 -8.389 1.00 . A A . 8 LYS CD 1 1 5 1597 1 1 8 LYS CE C -6.600 -7.177 -9.288 1.00 . A A . 8 LYS CE 1 1 5 1598 1 1 8 LYS CG C -6.486 -8.031 -6.927 1.00 . A A . 8 LYS CG 1 1 5 1599 1 1 8 LYS H H -4.704 -5.816 -6.883 1.00 . A A . 8 LYS H 1 1 5 1600 1 1 8 LYS HA H -5.204 -7.384 -4.548 1.00 . A A . 8 LYS HA 1 1 5 1601 1 1 8 LYS HB2 H -4.415 -8.253 -7.334 1.00 . A A . 8 LYS HB2 1 1 5 1602 1 1 8 LYS HB3 H -5.026 -9.310 -6.068 1.00 . A A . 8 LYS HB3 1 1 5 1603 1 1 8 LYS HD2 H -5.921 -9.104 -8.680 1.00 . A A . 8 LYS HD2 1 1 5 1604 1 1 8 LYS HD3 H -7.660 -8.854 -8.505 1.00 . A A . 8 LYS HD3 1 1 5 1605 1 1 8 LYS HE2 H -5.935 -6.458 -8.833 1.00 . A A . 8 LYS HE2 1 1 5 1606 1 1 8 LYS HE3 H -6.202 -7.478 -10.246 1.00 . A A . 8 LYS HE3 1 1 5 1607 1 1 8 LYS HG2 H -7.167 -8.613 -6.323 1.00 . A A . 8 LYS HG2 1 1 5 1608 1 1 8 LYS HG3 H -6.696 -6.980 -6.797 1.00 . A A . 8 LYS HG3 1 1 5 1609 1 1 8 LYS HZ1 H -8.563 -6.773 -8.700 1.00 . A A . 8 LYS HZ1 1 1 5 1610 1 1 8 LYS HZ2 H -8.359 -6.890 -10.375 1.00 . A A . 8 LYS HZ2 1 1 5 1611 1 1 8 LYS HZ3 H -7.829 -5.510 -9.554 1.00 . A A . 8 LYS HZ3 1 1 5 1612 1 1 8 LYS N N -4.603 -5.964 -5.919 1.00 . A A . 8 LYS N 1 1 5 1613 1 1 8 LYS NZ N -7.931 -6.543 -9.494 1.00 . A A . 8 LYS NZ 1 1 5 1614 1 1 8 LYS O O -2.882 -7.969 -3.814 1.00 . A A . 8 LYS O 1 1 5 1615 1 1 9 VAL C C -0.230 -7.160 -4.623 1.00 . A A . 9 VAL C 1 1 5 1616 1 1 9 VAL CA C -0.838 -8.080 -5.681 1.00 . A A . 9 VAL CA 1 1 5 1617 1 1 9 VAL CB C 0.017 -8.011 -6.963 1.00 . A A . 9 VAL CB 1 1 5 1618 1 1 9 VAL CG1 C 0.027 -6.597 -7.527 1.00 . A A . 9 VAL CG1 1 1 5 1619 1 1 9 VAL CG2 C 1.434 -8.494 -6.690 1.00 . A A . 9 VAL CG2 1 1 5 1620 1 1 9 VAL H H -2.496 -7.515 -6.870 1.00 . A A . 9 VAL H 1 1 5 1621 1 1 9 VAL HA H -0.814 -9.096 -5.315 1.00 . A A . 9 VAL HA 1 1 5 1622 1 1 9 VAL HB H -0.427 -8.664 -7.701 1.00 . A A . 9 VAL HB 1 1 5 1623 1 1 9 VAL HG11 H 0.220 -5.894 -6.731 1.00 . A A . 9 VAL HG11 1 1 5 1624 1 1 9 VAL HG12 H -0.932 -6.381 -7.972 1.00 . A A . 9 VAL HG12 1 1 5 1625 1 1 9 VAL HG13 H 0.800 -6.514 -8.276 1.00 . A A . 9 VAL HG13 1 1 5 1626 1 1 9 VAL HG21 H 2.008 -7.695 -6.247 1.00 . A A . 9 VAL HG21 1 1 5 1627 1 1 9 VAL HG22 H 1.896 -8.798 -7.618 1.00 . A A . 9 VAL HG22 1 1 5 1628 1 1 9 VAL HG23 H 1.403 -9.334 -6.012 1.00 . A A . 9 VAL HG23 1 1 5 1629 1 1 9 VAL N N -2.228 -7.733 -5.953 1.00 . A A . 9 VAL N 1 1 5 1630 1 1 9 VAL O O 0.751 -7.516 -3.972 1.00 . A A . 9 VAL O 1 1 5 1631 1 1 10 CYS C C -1.086 -5.124 -2.165 1.00 . A A . 10 CYS C 1 1 5 1632 1 1 10 CYS CA C -0.325 -5.012 -3.483 1.00 . A A . 10 CYS CA 1 1 5 1633 1 1 10 CYS CB C -0.449 -3.591 -4.036 1.00 . A A . 10 CYS CB 1 1 5 1634 1 1 10 CYS H H -1.594 -5.746 -5.010 1.00 . A A . 10 CYS H 1 1 5 1635 1 1 10 CYS HA H 0.717 -5.227 -3.302 1.00 . A A . 10 CYS HA 1 1 5 1636 1 1 10 CYS HB2 H -0.371 -3.623 -5.112 1.00 . A A . 10 CYS HB2 1 1 5 1637 1 1 10 CYS HB3 H -1.413 -3.189 -3.762 1.00 . A A . 10 CYS HB3 1 1 5 1638 1 1 10 CYS N N -0.816 -5.977 -4.460 1.00 . A A . 10 CYS N 1 1 5 1639 1 1 10 CYS O O -0.521 -5.512 -1.142 1.00 . A A . 10 CYS O 1 1 5 1640 1 1 10 CYS SG S 0.827 -2.441 -3.424 1.00 . A A . 10 CYS SG 1 1 5 1641 1 1 11 ALA C C -3.384 -6.263 -0.509 1.00 . A A . 11 ALA C 1 1 5 1642 1 1 11 ALA CA C -3.205 -4.830 -1.002 1.00 . A A . 11 ALA CA 1 1 5 1643 1 1 11 ALA CB C -4.560 -4.195 -1.280 1.00 . A A . 11 ALA CB 1 1 5 1644 1 1 11 ALA H H -2.760 -4.470 -3.040 1.00 . A A . 11 ALA H 1 1 5 1645 1 1 11 ALA HA H -2.718 -4.254 -0.228 1.00 . A A . 11 ALA HA 1 1 5 1646 1 1 11 ALA HB1 H -4.463 -3.480 -2.084 1.00 . A A . 11 ALA HB1 1 1 5 1647 1 1 11 ALA HB2 H -4.910 -3.692 -0.391 1.00 . A A . 11 ALA HB2 1 1 5 1648 1 1 11 ALA HB3 H -5.266 -4.962 -1.563 1.00 . A A . 11 ALA HB3 1 1 5 1649 1 1 11 ALA N N -2.368 -4.776 -2.195 1.00 . A A . 11 ALA N 1 1 5 1650 1 1 11 ALA O O -3.361 -6.522 0.694 1.00 . A A . 11 ALA O 1 1 5 1651 1 1 12 ALA C C -2.424 -9.326 -0.927 1.00 . A A . 12 ALA C 1 1 5 1652 1 1 12 ALA CA C -3.756 -8.596 -1.100 1.00 . A A . 12 ALA CA 1 1 5 1653 1 1 12 ALA CB C -4.601 -9.287 -2.160 1.00 . A A . 12 ALA CB 1 1 5 1654 1 1 12 ALA H H -3.581 -6.922 -2.387 1.00 . A A . 12 ALA H 1 1 5 1655 1 1 12 ALA HA H -4.298 -8.637 -0.167 1.00 . A A . 12 ALA HA 1 1 5 1656 1 1 12 ALA HB1 H -5.253 -10.007 -1.688 1.00 . A A . 12 ALA HB1 1 1 5 1657 1 1 12 ALA HB2 H -3.954 -9.794 -2.862 1.00 . A A . 12 ALA HB2 1 1 5 1658 1 1 12 ALA HB3 H -5.195 -8.553 -2.683 1.00 . A A . 12 ALA HB3 1 1 5 1659 1 1 12 ALA N N -3.569 -7.190 -1.445 1.00 . A A . 12 ALA N 1 1 5 1660 1 1 12 ALA O O -2.382 -10.555 -0.915 1.00 . A A . 12 ALA O 1 1 5 1661 1 1 13 ALA C C 0.363 -9.268 0.858 1.00 . A A . 13 ALA C 1 1 5 1662 1 1 13 ALA CA C -0.015 -9.161 -0.620 1.00 . A A . 13 ALA CA 1 1 5 1663 1 1 13 ALA CB C 1.028 -8.351 -1.376 1.00 . A A . 13 ALA CB 1 1 5 1664 1 1 13 ALA H H -1.423 -7.595 -0.809 1.00 . A A . 13 ALA H 1 1 5 1665 1 1 13 ALA HA H -0.040 -10.153 -1.045 1.00 . A A . 13 ALA HA 1 1 5 1666 1 1 13 ALA HB1 H 0.618 -7.385 -1.630 1.00 . A A . 13 ALA HB1 1 1 5 1667 1 1 13 ALA HB2 H 1.303 -8.873 -2.279 1.00 . A A . 13 ALA HB2 1 1 5 1668 1 1 13 ALA HB3 H 1.902 -8.219 -0.755 1.00 . A A . 13 ALA HB3 1 1 5 1669 1 1 13 ALA N N -1.337 -8.569 -0.793 1.00 . A A . 13 ALA N 1 1 5 1670 1 1 13 ALA O O 1.437 -9.767 1.195 1.00 . A A . 13 ALA O 1 1 5 1671 1 1 14 ALA C C 1.027 -8.141 3.531 1.00 . A A . 14 ALA C 1 1 5 1672 1 1 14 ALA CA C -0.274 -8.852 3.171 1.00 . A A . 14 ALA CA 1 1 5 1673 1 1 14 ALA CB C -0.238 -10.295 3.650 1.00 . A A . 14 ALA CB 1 1 5 1674 1 1 14 ALA H H -1.363 -8.417 1.411 1.00 . A A . 14 ALA H 1 1 5 1675 1 1 14 ALA HA H -1.093 -8.353 3.668 1.00 . A A . 14 ALA HA 1 1 5 1676 1 1 14 ALA HB1 H 0.448 -10.383 4.480 1.00 . A A . 14 ALA HB1 1 1 5 1677 1 1 14 ALA HB2 H 0.089 -10.933 2.844 1.00 . A A . 14 ALA HB2 1 1 5 1678 1 1 14 ALA HB3 H -1.227 -10.593 3.968 1.00 . A A . 14 ALA HB3 1 1 5 1679 1 1 14 ALA N N -0.523 -8.803 1.735 1.00 . A A . 14 ALA N 1 1 5 1680 1 1 14 ALA O O 1.698 -8.505 4.497 1.00 . A A . 14 ALA O 1 1 5 1681 1 1 15 ASN C C 2.281 -4.901 3.271 1.00 . A A . 15 ASN C 1 1 5 1682 1 1 15 ASN CA C 2.600 -6.365 2.984 1.00 . A A . 15 ASN CA 1 1 5 1683 1 1 15 ASN CB C 3.532 -6.470 1.776 1.00 . A A . 15 ASN CB 1 1 5 1684 1 1 15 ASN CG C 4.633 -7.491 1.982 1.00 . A A . 15 ASN CG 1 1 5 1685 1 1 15 ASN H H 0.803 -6.883 1.993 1.00 . A A . 15 ASN H 1 1 5 1686 1 1 15 ASN HA H 3.093 -6.789 3.846 1.00 . A A . 15 ASN HA 1 1 5 1687 1 1 15 ASN HB2 H 2.956 -6.761 0.908 1.00 . A A . 15 ASN HB2 1 1 5 1688 1 1 15 ASN HB3 H 3.987 -5.508 1.593 1.00 . A A . 15 ASN HB3 1 1 5 1689 1 1 15 ASN HD21 H 5.604 -6.239 3.183 1.00 . A A . 15 ASN HD21 1 1 5 1690 1 1 15 ASN HD22 H 6.359 -7.772 2.930 1.00 . A A . 15 ASN HD22 1 1 5 1691 1 1 15 ASN N N 1.378 -7.126 2.748 1.00 . A A . 15 ASN N 1 1 5 1692 1 1 15 ASN ND2 N 5.633 -7.131 2.779 1.00 . A A . 15 ASN ND2 1 1 5 1693 1 1 15 ASN O O 1.642 -4.224 2.465 1.00 . A A . 15 ASN O 1 1 5 1694 1 1 15 ASN OD1 O 4.587 -8.592 1.433 1.00 . A A . 15 ASN OD1 1 1 5 1695 1 1 16 VAL C C 3.610 -2.124 4.322 1.00 . A A . 16 VAL C 1 1 5 1696 1 1 16 VAL CA C 2.494 -3.035 4.819 1.00 . A A . 16 VAL CA 1 1 5 1697 1 1 16 VAL CB C 2.378 -2.898 6.349 1.00 . A A . 16 VAL CB 1 1 5 1698 1 1 16 VAL CG1 C 1.936 -1.493 6.728 1.00 . A A . 16 VAL CG1 1 1 5 1699 1 1 16 VAL CG2 C 1.416 -3.935 6.907 1.00 . A A . 16 VAL CG2 1 1 5 1700 1 1 16 VAL H H 3.234 -5.007 5.026 1.00 . A A . 16 VAL H 1 1 5 1701 1 1 16 VAL HA H 1.559 -2.718 4.378 1.00 . A A . 16 VAL HA 1 1 5 1702 1 1 16 VAL HB H 3.352 -3.073 6.780 1.00 . A A . 16 VAL HB 1 1 5 1703 1 1 16 VAL HG11 H 1.677 -1.468 7.776 1.00 . A A . 16 VAL HG11 1 1 5 1704 1 1 16 VAL HG12 H 1.076 -1.214 6.137 1.00 . A A . 16 VAL HG12 1 1 5 1705 1 1 16 VAL HG13 H 2.743 -0.799 6.540 1.00 . A A . 16 VAL HG13 1 1 5 1706 1 1 16 VAL HG21 H 1.836 -4.922 6.776 1.00 . A A . 16 VAL HG21 1 1 5 1707 1 1 16 VAL HG22 H 0.474 -3.873 6.383 1.00 . A A . 16 VAL HG22 1 1 5 1708 1 1 16 VAL HG23 H 1.256 -3.750 7.958 1.00 . A A . 16 VAL HG23 1 1 5 1709 1 1 16 VAL N N 2.730 -4.419 4.425 1.00 . A A . 16 VAL N 1 1 5 1710 1 1 16 VAL O O 3.367 -1.184 3.564 1.00 . A A . 16 VAL O 1 1 5 1711 1 1 17 ALA C C 6.237 -1.729 2.848 1.00 . A A . 17 ALA C 1 1 5 1712 1 1 17 ALA CA C 5.989 -1.615 4.348 1.00 . A A . 17 ALA CA 1 1 5 1713 1 1 17 ALA CB C 7.224 -2.050 5.124 1.00 . A A . 17 ALA CB 1 1 5 1714 1 1 17 ALA H H 4.965 -3.171 5.353 1.00 . A A . 17 ALA H 1 1 5 1715 1 1 17 ALA HA H 5.785 -0.583 4.593 1.00 . A A . 17 ALA HA 1 1 5 1716 1 1 17 ALA HB1 H 7.192 -3.118 5.283 1.00 . A A . 17 ALA HB1 1 1 5 1717 1 1 17 ALA HB2 H 7.247 -1.544 6.077 1.00 . A A . 17 ALA HB2 1 1 5 1718 1 1 17 ALA HB3 H 8.110 -1.797 4.560 1.00 . A A . 17 ALA HB3 1 1 5 1719 1 1 17 ALA N N 4.834 -2.409 4.751 1.00 . A A . 17 ALA N 1 1 5 1720 1 1 17 ALA O O 6.525 -0.736 2.180 1.00 . A A . 17 ALA O 1 1 5 1721 1 1 18 ALA C C 5.358 -2.378 0.057 1.00 . A A . 18 ALA C 1 1 5 1722 1 1 18 ALA CA C 6.333 -3.188 0.904 1.00 . A A . 18 ALA CA 1 1 5 1723 1 1 18 ALA CB C 6.197 -4.673 0.596 1.00 . A A . 18 ALA CB 1 1 5 1724 1 1 18 ALA H H 5.890 -3.697 2.910 1.00 . A A . 18 ALA H 1 1 5 1725 1 1 18 ALA HA H 7.341 -2.886 0.660 1.00 . A A . 18 ALA HA 1 1 5 1726 1 1 18 ALA HB1 H 6.965 -4.967 -0.103 1.00 . A A . 18 ALA HB1 1 1 5 1727 1 1 18 ALA HB2 H 5.225 -4.863 0.166 1.00 . A A . 18 ALA HB2 1 1 5 1728 1 1 18 ALA HB3 H 6.304 -5.240 1.509 1.00 . A A . 18 ALA HB3 1 1 5 1729 1 1 18 ALA N N 6.123 -2.945 2.326 1.00 . A A . 18 ALA N 1 1 5 1730 1 1 18 ALA O O 5.669 -1.992 -1.069 1.00 . A A . 18 ALA O 1 1 5 1731 1 1 19 HIS C C 3.501 0.130 -0.110 1.00 . A A . 19 HIS C 1 1 5 1732 1 1 19 HIS CA C 3.153 -1.359 -0.098 1.00 . A A . 19 HIS CA 1 1 5 1733 1 1 19 HIS CB C 1.779 -1.586 0.550 1.00 . A A . 19 HIS CB 1 1 5 1734 1 1 19 HIS CD2 C 0.447 0.505 1.286 1.00 . A A . 19 HIS CD2 1 1 5 1735 1 1 19 HIS CE1 C -0.526 0.892 -0.619 1.00 . A A . 19 HIS CE1 1 1 5 1736 1 1 19 HIS CG C 0.827 -0.438 0.387 1.00 . A A . 19 HIS CG 1 1 5 1737 1 1 19 HIS H H 3.983 -2.459 1.508 1.00 . A A . 19 HIS H 1 1 5 1738 1 1 19 HIS HA H 3.121 -1.714 -1.117 1.00 . A A . 19 HIS HA 1 1 5 1739 1 1 19 HIS HB2 H 1.321 -2.458 0.109 1.00 . A A . 19 HIS HB2 1 1 5 1740 1 1 19 HIS HB3 H 1.913 -1.757 1.609 1.00 . A A . 19 HIS HB3 1 1 5 1741 1 1 19 HIS HD2 H 0.773 0.588 2.309 1.00 . A A . 19 HIS HD2 1 1 5 1742 1 1 19 HIS HE1 H -1.108 1.367 -1.392 1.00 . A A . 19 HIS HE1 1 1 5 1743 1 1 19 HIS HE2 H -0.997 2.012 1.061 1.00 . A A . 19 HIS HE2 1 1 5 1744 1 1 19 HIS N N 4.174 -2.124 0.607 1.00 . A A . 19 HIS N 1 1 5 1745 1 1 19 HIS ND1 N 0.204 -0.183 -0.809 1.00 . A A . 19 HIS ND1 1 1 5 1746 1 1 19 HIS NE2 N -0.416 1.348 0.637 1.00 . A A . 19 HIS NE2 1 1 5 1747 1 1 19 HIS O O 3.699 0.720 -1.169 1.00 . A A . 19 HIS O 1 1 5 1748 1 1 20 MET C C 5.063 2.553 0.340 1.00 . A A . 20 MET C 1 1 5 1749 1 1 20 MET CA C 3.875 2.150 1.212 1.00 . A A . 20 MET CA 1 1 5 1750 1 1 20 MET CB C 4.165 2.490 2.675 1.00 . A A . 20 MET CB 1 1 5 1751 1 1 20 MET CE C 4.129 5.866 4.997 1.00 . A A . 20 MET CE 1 1 5 1752 1 1 20 MET CG C 4.171 3.982 2.964 1.00 . A A . 20 MET CG 1 1 5 1753 1 1 20 MET H H 3.388 0.200 1.885 1.00 . A A . 20 MET H 1 1 5 1754 1 1 20 MET HA H 3.008 2.707 0.892 1.00 . A A . 20 MET HA 1 1 5 1755 1 1 20 MET HB2 H 3.413 2.028 3.297 1.00 . A A . 20 MET HB2 1 1 5 1756 1 1 20 MET HB3 H 5.134 2.091 2.941 1.00 . A A . 20 MET HB3 1 1 5 1757 1 1 20 MET HE1 H 3.140 5.596 5.338 1.00 . A A . 20 MET HE1 1 1 5 1758 1 1 20 MET HE2 H 4.048 6.535 4.152 1.00 . A A . 20 MET HE2 1 1 5 1759 1 1 20 MET HE3 H 4.664 6.357 5.795 1.00 . A A . 20 MET HE3 1 1 5 1760 1 1 20 MET HG2 H 4.669 4.491 2.152 1.00 . A A . 20 MET HG2 1 1 5 1761 1 1 20 MET HG3 H 3.148 4.326 3.029 1.00 . A A . 20 MET HG3 1 1 5 1762 1 1 20 MET N N 3.563 0.728 1.077 1.00 . A A . 20 MET N 1 1 5 1763 1 1 20 MET O O 5.027 3.583 -0.332 1.00 . A A . 20 MET O 1 1 5 1764 1 1 20 MET SD S 5.015 4.389 4.504 1.00 . A A . 20 MET SD 1 1 5 1765 1 1 21 THR C C 6.966 2.146 -1.919 1.00 . A A . 21 THR C 1 1 5 1766 1 1 21 THR CA C 7.309 2.021 -0.435 1.00 . A A . 21 THR CA 1 1 5 1767 1 1 21 THR CB C 8.352 0.922 -0.231 1.00 . A A . 21 THR CB 1 1 5 1768 1 1 21 THR CG2 C 7.894 -0.437 -0.712 1.00 . A A . 21 THR CG2 1 1 5 1769 1 1 21 THR H H 6.088 0.933 0.913 1.00 . A A . 21 THR H 1 1 5 1770 1 1 21 THR HA H 7.717 2.960 -0.094 1.00 . A A . 21 THR HA 1 1 5 1771 1 1 21 THR HB H 8.574 0.842 0.824 1.00 . A A . 21 THR HB 1 1 5 1772 1 1 21 THR HG1 H 9.877 2.089 -0.616 1.00 . A A . 21 THR HG1 1 1 5 1773 1 1 21 THR HG21 H 7.186 -0.314 -1.518 1.00 . A A . 21 THR HG21 1 1 5 1774 1 1 21 THR HG22 H 7.422 -0.967 0.103 1.00 . A A . 21 THR HG22 1 1 5 1775 1 1 21 THR HG23 H 8.745 -1.002 -1.064 1.00 . A A . 21 THR HG23 1 1 5 1776 1 1 21 THR N N 6.115 1.740 0.357 1.00 . A A . 21 THR N 1 1 5 1777 1 1 21 THR O O 7.667 2.819 -2.674 1.00 . A A . 21 THR O 1 1 5 1778 1 1 21 THR OG1 O 9.553 1.237 -0.915 1.00 . A A . 21 THR OG1 1 1 5 1779 1 1 22 HIS C C 4.086 2.216 -3.843 1.00 . A A . 22 HIS C 1 1 5 1780 1 1 22 HIS CA C 5.443 1.520 -3.714 1.00 . A A . 22 HIS CA 1 1 5 1781 1 1 22 HIS CB C 5.379 0.082 -4.264 1.00 . A A . 22 HIS CB 1 1 5 1782 1 1 22 HIS CD2 C 2.808 -0.297 -4.501 1.00 . A A . 22 HIS CD2 1 1 5 1783 1 1 22 HIS CE1 C 2.782 -0.939 -6.599 1.00 . A A . 22 HIS CE1 1 1 5 1784 1 1 22 HIS CG C 4.092 -0.283 -4.951 1.00 . A A . 22 HIS CG 1 1 5 1785 1 1 22 HIS H H 5.370 0.973 -1.682 1.00 . A A . 22 HIS H 1 1 5 1786 1 1 22 HIS HA H 6.171 2.077 -4.271 1.00 . A A . 22 HIS HA 1 1 5 1787 1 1 22 HIS HB2 H 6.177 -0.052 -4.978 1.00 . A A . 22 HIS HB2 1 1 5 1788 1 1 22 HIS HB3 H 5.524 -0.608 -3.445 1.00 . A A . 22 HIS HB3 1 1 5 1789 1 1 22 HIS HD1 H 4.804 -0.783 -6.870 1.00 . A A . 22 HIS HD1 1 1 5 1790 1 1 22 HIS HD2 H 2.465 -0.027 -3.505 1.00 . A A . 22 HIS HD2 1 1 5 1791 1 1 22 HIS HE1 H 2.439 -1.273 -7.567 1.00 . A A . 22 HIS HE1 1 1 5 1792 1 1 22 HIS HE2 H 1.039 -0.748 -5.541 1.00 . A A . 22 HIS HE2 1 1 5 1793 1 1 22 HIS N N 5.884 1.491 -2.327 1.00 . A A . 22 HIS N 1 1 5 1794 1 1 22 HIS ND1 N 4.036 -0.691 -6.267 1.00 . A A . 22 HIS ND1 1 1 5 1795 1 1 22 HIS NE2 N 2.019 -0.708 -5.547 1.00 . A A . 22 HIS NE2 1 1 5 1796 1 1 22 HIS O O 3.500 2.264 -4.926 1.00 . A A . 22 HIS O 1 1 5 1797 1 1 23 CYS C C 2.292 4.582 -1.769 1.00 . A A . 23 CYS C 1 1 5 1798 1 1 23 CYS CA C 2.290 3.389 -2.719 1.00 . A A . 23 CYS CA 1 1 5 1799 1 1 23 CYS CB C 1.241 2.374 -2.276 1.00 . A A . 23 CYS CB 1 1 5 1800 1 1 23 CYS H H 4.078 2.654 -1.898 1.00 . A A . 23 CYS H 1 1 5 1801 1 1 23 CYS HA H 2.063 3.724 -3.720 1.00 . A A . 23 CYS HA 1 1 5 1802 1 1 23 CYS HB2 H 1.727 1.614 -1.684 1.00 . A A . 23 CYS HB2 1 1 5 1803 1 1 23 CYS HB3 H 0.509 2.873 -1.663 1.00 . A A . 23 CYS HB3 1 1 5 1804 1 1 23 CYS N N 3.581 2.735 -2.733 1.00 . A A . 23 CYS N 1 1 5 1805 1 1 23 CYS O O 1.855 4.477 -0.623 1.00 . A A . 23 CYS O 1 1 5 1806 1 1 23 CYS SG S 0.367 1.525 -3.635 1.00 . A A . 23 CYS SG 1 1 5 1807 1 1 24 ALA C C 1.450 7.463 -1.152 1.00 . A A . 24 ALA C 1 1 5 1808 1 1 24 ALA CA C 2.848 6.930 -1.446 1.00 . A A . 24 ALA CA 1 1 5 1809 1 1 24 ALA CB C 3.682 7.989 -2.150 1.00 . A A . 24 ALA CB 1 1 5 1810 1 1 24 ALA H H 3.122 5.738 -3.174 1.00 . A A . 24 ALA H 1 1 5 1811 1 1 24 ALA HA H 3.333 6.686 -0.513 1.00 . A A . 24 ALA HA 1 1 5 1812 1 1 24 ALA HB1 H 3.338 8.102 -3.168 1.00 . A A . 24 ALA HB1 1 1 5 1813 1 1 24 ALA HB2 H 4.719 7.688 -2.153 1.00 . A A . 24 ALA HB2 1 1 5 1814 1 1 24 ALA HB3 H 3.582 8.931 -1.630 1.00 . A A . 24 ALA HB3 1 1 5 1815 1 1 24 ALA N N 2.788 5.717 -2.253 1.00 . A A . 24 ALA N 1 1 5 1816 1 1 24 ALA O O 0.461 6.969 -1.692 1.00 . A A . 24 ALA O 1 1 5 1817 1 1 25 LYS C C 0.174 10.597 -0.005 1.00 . A A . 25 LYS C 1 1 5 1818 1 1 25 LYS CA C 0.100 9.076 0.073 1.00 . A A . 25 LYS CA 1 1 5 1819 1 1 25 LYS CB C -0.305 8.643 1.483 1.00 . A A . 25 LYS CB 1 1 5 1820 1 1 25 LYS CD C -1.473 10.491 2.724 1.00 . A A . 25 LYS CD 1 1 5 1821 1 1 25 LYS CE C -2.525 10.617 3.813 1.00 . A A . 25 LYS CE 1 1 5 1822 1 1 25 LYS CG C -1.644 9.205 1.930 1.00 . A A . 25 LYS CG 1 1 5 1823 1 1 25 LYS H H 2.201 8.825 0.104 1.00 . A A . 25 LYS H 1 1 5 1824 1 1 25 LYS HA H -0.643 8.727 -0.629 1.00 . A A . 25 LYS HA 1 1 5 1825 1 1 25 LYS HB2 H -0.363 7.565 1.514 1.00 . A A . 25 LYS HB2 1 1 5 1826 1 1 25 LYS HB3 H 0.451 8.974 2.180 1.00 . A A . 25 LYS HB3 1 1 5 1827 1 1 25 LYS HD2 H -0.494 10.492 3.181 1.00 . A A . 25 LYS HD2 1 1 5 1828 1 1 25 LYS HD3 H -1.560 11.331 2.051 1.00 . A A . 25 LYS HD3 1 1 5 1829 1 1 25 LYS HE2 H -2.377 9.825 4.533 1.00 . A A . 25 LYS HE2 1 1 5 1830 1 1 25 LYS HE3 H -2.405 11.574 4.301 1.00 . A A . 25 LYS HE3 1 1 5 1831 1 1 25 LYS HG2 H -2.247 9.411 1.058 1.00 . A A . 25 LYS HG2 1 1 5 1832 1 1 25 LYS HG3 H -2.142 8.474 2.550 1.00 . A A . 25 LYS HG3 1 1 5 1833 1 1 25 LYS HZ1 H -4.596 10.837 3.977 1.00 . A A . 25 LYS HZ1 1 1 5 1834 1 1 25 LYS HZ2 H -4.120 9.538 3.005 1.00 . A A . 25 LYS HZ2 1 1 5 1835 1 1 25 LYS HZ3 H -3.998 11.119 2.419 1.00 . A A . 25 LYS HZ3 1 1 5 1836 1 1 25 LYS N N 1.378 8.475 -0.294 1.00 . A A . 25 LYS N 1 1 5 1837 1 1 25 LYS NZ N -3.906 10.521 3.266 1.00 . A A . 25 LYS NZ 1 1 5 1838 1 1 25 LYS O O -0.375 11.167 -0.971 1.00 . A A . 25 LYS O 1 1 5 1839 1 1 25 LYS OXT O 0.778 11.206 0.902 1.00 . A A . 25 LYS OXT 1 1 5 1840 2 2 1 ZN ZN ZN -0.231 -0.521 -2.719 1.00 . B A . 26 ZN ZN 1 1 6 1841 1 1 1 ARG C C -2.171 -0.875 5.657 1.00 . A A . 1 ARG C 1 1 6 1842 1 1 1 ARG CA C -2.121 -0.796 7.179 1.00 . A A . 1 ARG CA 1 1 6 1843 1 1 1 ARG CB C -3.526 -0.572 7.743 1.00 . A A . 1 ARG CB 1 1 6 1844 1 1 1 ARG CD C -5.657 -1.604 8.585 1.00 . A A . 1 ARG CD 1 1 6 1845 1 1 1 ARG CG C -4.205 -1.850 8.207 1.00 . A A . 1 ARG CG 1 1 6 1846 1 1 1 ARG CZ C -6.203 -3.751 9.663 1.00 . A A . 1 ARG CZ 1 1 6 1847 1 1 1 ARG H1 H -1.747 1.209 7.446 1.00 . A A . 1 ARG H1 1 1 6 1848 1 1 1 ARG H2 H -0.361 0.265 7.087 1.00 . A A . 1 ARG H2 1 1 6 1849 1 1 1 ARG H3 H -1.073 0.191 8.648 1.00 . A A . 1 ARG H3 1 1 6 1850 1 1 1 ARG HA H -1.725 -1.723 7.566 1.00 . A A . 1 ARG HA 1 1 6 1851 1 1 1 ARG HB2 H -3.460 0.101 8.584 1.00 . A A . 1 ARG HB2 1 1 6 1852 1 1 1 ARG HB3 H -4.141 -0.121 6.979 1.00 . A A . 1 ARG HB3 1 1 6 1853 1 1 1 ARG HD2 H -5.775 -0.563 8.847 1.00 . A A . 1 ARG HD2 1 1 6 1854 1 1 1 ARG HD3 H -6.280 -1.833 7.734 1.00 . A A . 1 ARG HD3 1 1 6 1855 1 1 1 ARG HE H -6.272 -1.970 10.561 1.00 . A A . 1 ARG HE 1 1 6 1856 1 1 1 ARG HG2 H -4.170 -2.576 7.409 1.00 . A A . 1 ARG HG2 1 1 6 1857 1 1 1 ARG HG3 H -3.678 -2.234 9.069 1.00 . A A . 1 ARG HG3 1 1 6 1858 1 1 1 ARG HH11 H -5.654 -3.903 7.722 1.00 . A A . 1 ARG HH11 1 1 6 1859 1 1 1 ARG HH12 H -6.043 -5.399 8.503 1.00 . A A . 1 ARG HH12 1 1 6 1860 1 1 1 ARG HH21 H -6.784 -3.937 11.590 1.00 . A A . 1 ARG HH21 1 1 6 1861 1 1 1 ARG HH22 H -6.685 -5.419 10.698 1.00 . A A . 1 ARG HH22 1 1 6 1862 1 1 1 ARG N N -1.247 0.317 7.631 1.00 . A A . 1 ARG N 1 1 6 1863 1 1 1 ARG NE N -6.076 -2.428 9.717 1.00 . A A . 1 ARG NE 1 1 6 1864 1 1 1 ARG NH1 N -5.946 -4.405 8.537 1.00 . A A . 1 ARG NH1 1 1 6 1865 1 1 1 ARG NH2 N -6.589 -4.424 10.738 1.00 . A A . 1 ARG NH2 1 1 6 1866 1 1 1 ARG O O -2.309 0.142 4.976 1.00 . A A . 1 ARG O 1 1 6 1867 1 1 2 VAL C C -3.502 -2.634 3.212 1.00 . A A . 2 VAL C 1 1 6 1868 1 1 2 VAL CA C -2.090 -2.300 3.686 1.00 . A A . 2 VAL CA 1 1 6 1869 1 1 2 VAL CB C -1.126 -3.428 3.263 1.00 . A A . 2 VAL CB 1 1 6 1870 1 1 2 VAL CG1 C -1.533 -4.751 3.897 1.00 . A A . 2 VAL CG1 1 1 6 1871 1 1 2 VAL CG2 C -1.070 -3.546 1.745 1.00 . A A . 2 VAL CG2 1 1 6 1872 1 1 2 VAL H H -1.950 -2.860 5.722 1.00 . A A . 2 VAL H 1 1 6 1873 1 1 2 VAL HA H -1.769 -1.384 3.209 1.00 . A A . 2 VAL HA 1 1 6 1874 1 1 2 VAL HB H -0.136 -3.178 3.617 1.00 . A A . 2 VAL HB 1 1 6 1875 1 1 2 VAL HG11 H -2.555 -4.688 4.239 1.00 . A A . 2 VAL HG11 1 1 6 1876 1 1 2 VAL HG12 H -0.885 -4.962 4.735 1.00 . A A . 2 VAL HG12 1 1 6 1877 1 1 2 VAL HG13 H -1.446 -5.543 3.167 1.00 . A A . 2 VAL HG13 1 1 6 1878 1 1 2 VAL HG21 H -1.874 -2.970 1.308 1.00 . A A . 2 VAL HG21 1 1 6 1879 1 1 2 VAL HG22 H -1.173 -4.582 1.459 1.00 . A A . 2 VAL HG22 1 1 6 1880 1 1 2 VAL HG23 H -0.123 -3.166 1.390 1.00 . A A . 2 VAL HG23 1 1 6 1881 1 1 2 VAL N N -2.057 -2.089 5.127 1.00 . A A . 2 VAL N 1 1 6 1882 1 1 2 VAL O O -3.707 -3.576 2.445 1.00 . A A . 2 VAL O 1 1 6 1883 1 1 3 ILE C C -6.380 -0.928 2.424 1.00 . A A . 3 ILE C 1 1 6 1884 1 1 3 ILE CA C -5.868 -2.067 3.302 1.00 . A A . 3 ILE CA 1 1 6 1885 1 1 3 ILE CB C -6.770 -2.196 4.546 1.00 . A A . 3 ILE CB 1 1 6 1886 1 1 3 ILE CD1 C -8.328 -3.802 3.332 1.00 . A A . 3 ILE CD1 1 1 6 1887 1 1 3 ILE CG1 C -8.206 -2.524 4.134 1.00 . A A . 3 ILE CG1 1 1 6 1888 1 1 3 ILE CG2 C -6.727 -0.918 5.370 1.00 . A A . 3 ILE CG2 1 1 6 1889 1 1 3 ILE H H -4.249 -1.122 4.285 1.00 . A A . 3 ILE H 1 1 6 1890 1 1 3 ILE HA H -5.926 -2.991 2.744 1.00 . A A . 3 ILE HA 1 1 6 1891 1 1 3 ILE HB H -6.387 -3.000 5.157 1.00 . A A . 3 ILE HB 1 1 6 1892 1 1 3 ILE HD11 H -9.179 -4.367 3.681 1.00 . A A . 3 ILE HD11 1 1 6 1893 1 1 3 ILE HD12 H -7.431 -4.391 3.455 1.00 . A A . 3 ILE HD12 1 1 6 1894 1 1 3 ILE HD13 H -8.460 -3.560 2.288 1.00 . A A . 3 ILE HD13 1 1 6 1895 1 1 3 ILE HG12 H -8.813 -2.631 5.020 1.00 . A A . 3 ILE HG12 1 1 6 1896 1 1 3 ILE HG13 H -8.595 -1.716 3.532 1.00 . A A . 3 ILE HG13 1 1 6 1897 1 1 3 ILE HG21 H -6.890 -0.067 4.723 1.00 . A A . 3 ILE HG21 1 1 6 1898 1 1 3 ILE HG22 H -5.762 -0.829 5.847 1.00 . A A . 3 ILE HG22 1 1 6 1899 1 1 3 ILE HG23 H -7.500 -0.949 6.124 1.00 . A A . 3 ILE HG23 1 1 6 1900 1 1 3 ILE N N -4.475 -1.856 3.676 1.00 . A A . 3 ILE N 1 1 6 1901 1 1 3 ILE O O -7.242 -1.129 1.569 1.00 . A A . 3 ILE O 1 1 6 1902 1 1 4 ALA C C -5.986 1.235 0.384 1.00 . A A . 4 ALA C 1 1 6 1903 1 1 4 ALA CA C -6.245 1.439 1.873 1.00 . A A . 4 ALA CA 1 1 6 1904 1 1 4 ALA CB C -5.513 2.675 2.374 1.00 . A A . 4 ALA CB 1 1 6 1905 1 1 4 ALA H H -5.160 0.365 3.338 1.00 . A A . 4 ALA H 1 1 6 1906 1 1 4 ALA HA H -7.303 1.590 2.027 1.00 . A A . 4 ALA HA 1 1 6 1907 1 1 4 ALA HB1 H -4.563 2.384 2.798 1.00 . A A . 4 ALA HB1 1 1 6 1908 1 1 4 ALA HB2 H -6.109 3.165 3.128 1.00 . A A . 4 ALA HB2 1 1 6 1909 1 1 4 ALA HB3 H -5.346 3.352 1.549 1.00 . A A . 4 ALA HB3 1 1 6 1910 1 1 4 ALA N N -5.842 0.268 2.643 1.00 . A A . 4 ALA N 1 1 6 1911 1 1 4 ALA O O -6.688 1.791 -0.459 1.00 . A A . 4 ALA O 1 1 6 1912 1 1 5 CYS C C -5.794 -0.473 -2.065 1.00 . A A . 5 CYS C 1 1 6 1913 1 1 5 CYS CA C -4.622 0.157 -1.321 1.00 . A A . 5 CYS CA 1 1 6 1914 1 1 5 CYS CB C -3.404 -0.766 -1.388 1.00 . A A . 5 CYS CB 1 1 6 1915 1 1 5 CYS H H -4.449 0.019 0.785 1.00 . A A . 5 CYS H 1 1 6 1916 1 1 5 CYS HA H -4.375 1.097 -1.792 1.00 . A A . 5 CYS HA 1 1 6 1917 1 1 5 CYS HB2 H -2.683 -0.455 -0.648 1.00 . A A . 5 CYS HB2 1 1 6 1918 1 1 5 CYS HB3 H -3.718 -1.778 -1.175 1.00 . A A . 5 CYS HB3 1 1 6 1919 1 1 5 CYS N N -4.973 0.433 0.068 1.00 . A A . 5 CYS N 1 1 6 1920 1 1 5 CYS O O -6.716 -1.009 -1.451 1.00 . A A . 5 CYS O 1 1 6 1921 1 1 5 CYS SG S -2.569 -0.774 -3.007 1.00 . A A . 5 CYS SG 1 1 6 1922 1 1 6 PHE C C -6.224 -1.826 -5.339 1.00 . A A . 6 PHE C 1 1 6 1923 1 1 6 PHE CA C -6.809 -0.968 -4.222 1.00 . A A . 6 PHE CA 1 1 6 1924 1 1 6 PHE CB C -7.673 0.147 -4.817 1.00 . A A . 6 PHE CB 1 1 6 1925 1 1 6 PHE CD1 C -5.823 1.245 -6.113 1.00 . A A . 6 PHE CD1 1 1 6 1926 1 1 6 PHE CD2 C -7.226 2.616 -4.756 1.00 . A A . 6 PHE CD2 1 1 6 1927 1 1 6 PHE CE1 C -5.103 2.359 -6.499 1.00 . A A . 6 PHE CE1 1 1 6 1928 1 1 6 PHE CE2 C -6.510 3.734 -5.139 1.00 . A A . 6 PHE CE2 1 1 6 1929 1 1 6 PHE CG C -6.892 1.360 -5.237 1.00 . A A . 6 PHE CG 1 1 6 1930 1 1 6 PHE CZ C -5.447 3.605 -6.012 1.00 . A A . 6 PHE CZ 1 1 6 1931 1 1 6 PHE H H -4.989 0.037 -3.822 1.00 . A A . 6 PHE H 1 1 6 1932 1 1 6 PHE HA H -7.427 -1.592 -3.593 1.00 . A A . 6 PHE HA 1 1 6 1933 1 1 6 PHE HB2 H -8.188 -0.233 -5.687 1.00 . A A . 6 PHE HB2 1 1 6 1934 1 1 6 PHE HB3 H -8.402 0.458 -4.082 1.00 . A A . 6 PHE HB3 1 1 6 1935 1 1 6 PHE HD1 H -5.554 0.272 -6.495 1.00 . A A . 6 PHE HD1 1 1 6 1936 1 1 6 PHE HD2 H -8.056 2.718 -4.073 1.00 . A A . 6 PHE HD2 1 1 6 1937 1 1 6 PHE HE1 H -4.273 2.256 -7.182 1.00 . A A . 6 PHE HE1 1 1 6 1938 1 1 6 PHE HE2 H -6.780 4.706 -4.757 1.00 . A A . 6 PHE HE2 1 1 6 1939 1 1 6 PHE HZ H -4.885 4.477 -6.313 1.00 . A A . 6 PHE HZ 1 1 6 1940 1 1 6 PHE N N -5.750 -0.404 -3.391 1.00 . A A . 6 PHE N 1 1 6 1941 1 1 6 PHE O O -6.774 -1.887 -6.440 1.00 . A A . 6 PHE O 1 1 6 1942 1 1 7 LEU C C -4.448 -4.795 -5.573 1.00 . A A . 7 LEU C 1 1 6 1943 1 1 7 LEU CA C -4.448 -3.340 -6.032 1.00 . A A . 7 LEU CA 1 1 6 1944 1 1 7 LEU CB C -3.013 -2.867 -6.268 1.00 . A A . 7 LEU CB 1 1 6 1945 1 1 7 LEU CD1 C -1.446 -1.204 -7.298 1.00 . A A . 7 LEU CD1 1 1 6 1946 1 1 7 LEU CD2 C -3.210 -2.289 -8.698 1.00 . A A . 7 LEU CD2 1 1 6 1947 1 1 7 LEU CG C -2.859 -1.762 -7.315 1.00 . A A . 7 LEU CG 1 1 6 1948 1 1 7 LEU H H -4.717 -2.397 -4.156 1.00 . A A . 7 LEU H 1 1 6 1949 1 1 7 LEU HA H -4.998 -3.268 -6.958 1.00 . A A . 7 LEU HA 1 1 6 1950 1 1 7 LEU HB2 H -2.617 -2.504 -5.330 1.00 . A A . 7 LEU HB2 1 1 6 1951 1 1 7 LEU HB3 H -2.424 -3.714 -6.583 1.00 . A A . 7 LEU HB3 1 1 6 1952 1 1 7 LEU HD11 H -0.738 -2.017 -7.227 1.00 . A A . 7 LEU HD11 1 1 6 1953 1 1 7 LEU HD12 H -1.327 -0.548 -6.448 1.00 . A A . 7 LEU HD12 1 1 6 1954 1 1 7 LEU HD13 H -1.266 -0.649 -8.208 1.00 . A A . 7 LEU HD13 1 1 6 1955 1 1 7 LEU HD21 H -4.284 -2.350 -8.799 1.00 . A A . 7 LEU HD21 1 1 6 1956 1 1 7 LEU HD22 H -2.780 -3.271 -8.830 1.00 . A A . 7 LEU HD22 1 1 6 1957 1 1 7 LEU HD23 H -2.815 -1.620 -9.449 1.00 . A A . 7 LEU HD23 1 1 6 1958 1 1 7 LEU HG H -3.539 -0.956 -7.081 1.00 . A A . 7 LEU HG 1 1 6 1959 1 1 7 LEU N N -5.108 -2.486 -5.051 1.00 . A A . 7 LEU N 1 1 6 1960 1 1 7 LEU O O -4.455 -5.079 -4.375 1.00 . A A . 7 LEU O 1 1 6 1961 1 1 8 LYS C C -3.110 -7.558 -5.601 1.00 . A A . 8 LYS C 1 1 6 1962 1 1 8 LYS CA C -4.435 -7.139 -6.230 1.00 . A A . 8 LYS CA 1 1 6 1963 1 1 8 LYS CB C -4.691 -7.953 -7.499 1.00 . A A . 8 LYS CB 1 1 6 1964 1 1 8 LYS CD C -6.750 -7.198 -8.726 1.00 . A A . 8 LYS CD 1 1 6 1965 1 1 8 LYS CE C -8.270 -7.233 -8.717 1.00 . A A . 8 LYS CE 1 1 6 1966 1 1 8 LYS CG C -6.164 -8.220 -7.764 1.00 . A A . 8 LYS CG 1 1 6 1967 1 1 8 LYS H H -4.432 -5.424 -7.471 1.00 . A A . 8 LYS H 1 1 6 1968 1 1 8 LYS HA H -5.230 -7.329 -5.524 1.00 . A A . 8 LYS HA 1 1 6 1969 1 1 8 LYS HB2 H -4.286 -7.418 -8.345 1.00 . A A . 8 LYS HB2 1 1 6 1970 1 1 8 LYS HB3 H -4.186 -8.904 -7.411 1.00 . A A . 8 LYS HB3 1 1 6 1971 1 1 8 LYS HD2 H -6.421 -6.212 -8.433 1.00 . A A . 8 LYS HD2 1 1 6 1972 1 1 8 LYS HD3 H -6.398 -7.416 -9.724 1.00 . A A . 8 LYS HD3 1 1 6 1973 1 1 8 LYS HE2 H -8.614 -7.111 -7.701 1.00 . A A . 8 LYS HE2 1 1 6 1974 1 1 8 LYS HE3 H -8.639 -6.418 -9.322 1.00 . A A . 8 LYS HE3 1 1 6 1975 1 1 8 LYS HG2 H -6.271 -9.205 -8.193 1.00 . A A . 8 LYS HG2 1 1 6 1976 1 1 8 LYS HG3 H -6.703 -8.172 -6.829 1.00 . A A . 8 LYS HG3 1 1 6 1977 1 1 8 LYS HZ1 H -8.507 -8.634 -10.248 1.00 . A A . 8 LYS HZ1 1 1 6 1978 1 1 8 LYS HZ2 H -9.838 -8.522 -9.210 1.00 . A A . 8 LYS HZ2 1 1 6 1979 1 1 8 LYS HZ3 H -8.432 -9.316 -8.701 1.00 . A A . 8 LYS HZ3 1 1 6 1980 1 1 8 LYS N N -4.437 -5.713 -6.535 1.00 . A A . 8 LYS N 1 1 6 1981 1 1 8 LYS NZ N -8.798 -8.516 -9.257 1.00 . A A . 8 LYS NZ 1 1 6 1982 1 1 8 LYS O O -3.079 -8.093 -4.493 1.00 . A A . 8 LYS O 1 1 6 1983 1 1 9 VAL C C -0.072 -6.511 -5.040 1.00 . A A . 9 VAL C 1 1 6 1984 1 1 9 VAL CA C -0.690 -7.663 -5.829 1.00 . A A . 9 VAL CA 1 1 6 1985 1 1 9 VAL CB C 0.249 -8.050 -6.990 1.00 . A A . 9 VAL CB 1 1 6 1986 1 1 9 VAL CG1 C 0.423 -6.884 -7.953 1.00 . A A . 9 VAL CG1 1 1 6 1987 1 1 9 VAL CG2 C 1.595 -8.521 -6.458 1.00 . A A . 9 VAL CG2 1 1 6 1988 1 1 9 VAL H H -2.107 -6.883 -7.193 1.00 . A A . 9 VAL H 1 1 6 1989 1 1 9 VAL HA H -0.791 -8.518 -5.176 1.00 . A A . 9 VAL HA 1 1 6 1990 1 1 9 VAL HB H -0.204 -8.867 -7.533 1.00 . A A . 9 VAL HB 1 1 6 1991 1 1 9 VAL HG11 H 0.176 -5.961 -7.449 1.00 . A A . 9 VAL HG11 1 1 6 1992 1 1 9 VAL HG12 H -0.230 -7.018 -8.803 1.00 . A A . 9 VAL HG12 1 1 6 1993 1 1 9 VAL HG13 H 1.449 -6.846 -8.291 1.00 . A A . 9 VAL HG13 1 1 6 1994 1 1 9 VAL HG21 H 2.012 -9.254 -7.133 1.00 . A A . 9 VAL HG21 1 1 6 1995 1 1 9 VAL HG22 H 1.460 -8.965 -5.483 1.00 . A A . 9 VAL HG22 1 1 6 1996 1 1 9 VAL HG23 H 2.266 -7.678 -6.382 1.00 . A A . 9 VAL HG23 1 1 6 1997 1 1 9 VAL N N -2.018 -7.311 -6.316 1.00 . A A . 9 VAL N 1 1 6 1998 1 1 9 VAL O O 1.057 -6.096 -5.304 1.00 . A A . 9 VAL O 1 1 6 1999 1 1 10 CYS C C -1.114 -4.839 -1.923 1.00 . A A . 10 CYS C 1 1 6 2000 1 1 10 CYS CA C -0.350 -4.894 -3.241 1.00 . A A . 10 CYS CA 1 1 6 2001 1 1 10 CYS CB C -0.501 -3.568 -3.988 1.00 . A A . 10 CYS CB 1 1 6 2002 1 1 10 CYS H H -1.713 -6.370 -3.907 1.00 . A A . 10 CYS H 1 1 6 2003 1 1 10 CYS HA H 0.696 -5.061 -3.031 1.00 . A A . 10 CYS HA 1 1 6 2004 1 1 10 CYS HB2 H -0.439 -3.752 -5.049 1.00 . A A . 10 CYS HB2 1 1 6 2005 1 1 10 CYS HB3 H -1.467 -3.141 -3.758 1.00 . A A . 10 CYS HB3 1 1 6 2006 1 1 10 CYS N N -0.822 -5.998 -4.070 1.00 . A A . 10 CYS N 1 1 6 2007 1 1 10 CYS O O -0.519 -4.895 -0.846 1.00 . A A . 10 CYS O 1 1 6 2008 1 1 10 CYS SG S 0.768 -2.329 -3.567 1.00 . A A . 10 CYS SG 1 1 6 2009 1 1 11 ALA C C -3.414 -6.037 -0.176 1.00 . A A . 11 ALA C 1 1 6 2010 1 1 11 ALA CA C -3.280 -4.665 -0.828 1.00 . A A . 11 ALA CA 1 1 6 2011 1 1 11 ALA CB C -4.653 -4.115 -1.188 1.00 . A A . 11 ALA CB 1 1 6 2012 1 1 11 ALA H H -2.852 -4.689 -2.901 1.00 . A A . 11 ALA H 1 1 6 2013 1 1 11 ALA HA H -2.819 -3.987 -0.126 1.00 . A A . 11 ALA HA 1 1 6 2014 1 1 11 ALA HB1 H -4.574 -3.504 -2.075 1.00 . A A . 11 ALA HB1 1 1 6 2015 1 1 11 ALA HB2 H -5.025 -3.516 -0.370 1.00 . A A . 11 ALA HB2 1 1 6 2016 1 1 11 ALA HB3 H -5.332 -4.933 -1.373 1.00 . A A . 11 ALA HB3 1 1 6 2017 1 1 11 ALA N N -2.435 -4.729 -2.015 1.00 . A A . 11 ALA N 1 1 6 2018 1 1 11 ALA O O -3.167 -6.193 1.020 1.00 . A A . 11 ALA O 1 1 6 2019 1 1 12 ALA C C -2.658 -9.168 -0.497 1.00 . A A . 12 ALA C 1 1 6 2020 1 1 12 ALA CA C -3.974 -8.391 -0.472 1.00 . A A . 12 ALA CA 1 1 6 2021 1 1 12 ALA CB C -5.032 -9.120 -1.286 1.00 . A A . 12 ALA CB 1 1 6 2022 1 1 12 ALA H H -3.988 -6.841 -1.913 1.00 . A A . 12 ALA H 1 1 6 2023 1 1 12 ALA HA H -4.322 -8.331 0.549 1.00 . A A . 12 ALA HA 1 1 6 2024 1 1 12 ALA HB1 H -5.594 -9.778 -0.640 1.00 . A A . 12 ALA HB1 1 1 6 2025 1 1 12 ALA HB2 H -4.553 -9.700 -2.062 1.00 . A A . 12 ALA HB2 1 1 6 2026 1 1 12 ALA HB3 H -5.699 -8.400 -1.736 1.00 . A A . 12 ALA HB3 1 1 6 2027 1 1 12 ALA N N -3.806 -7.029 -0.970 1.00 . A A . 12 ALA N 1 1 6 2028 1 1 12 ALA O O -2.648 -10.374 -0.749 1.00 . A A . 12 ALA O 1 1 6 2029 1 1 13 ALA C C 0.268 -9.350 1.192 1.00 . A A . 13 ALA C 1 1 6 2030 1 1 13 ALA CA C -0.239 -9.117 -0.230 1.00 . A A . 13 ALA CA 1 1 6 2031 1 1 13 ALA CB C 0.757 -8.276 -1.015 1.00 . A A . 13 ALA CB 1 1 6 2032 1 1 13 ALA H H -1.615 -7.524 -0.040 1.00 . A A . 13 ALA H 1 1 6 2033 1 1 13 ALA HA H -0.334 -10.072 -0.727 1.00 . A A . 13 ALA HA 1 1 6 2034 1 1 13 ALA HB1 H 0.897 -7.328 -0.517 1.00 . A A . 13 ALA HB1 1 1 6 2035 1 1 13 ALA HB2 H 0.378 -8.107 -2.012 1.00 . A A . 13 ALA HB2 1 1 6 2036 1 1 13 ALA HB3 H 1.701 -8.796 -1.071 1.00 . A A . 13 ALA HB3 1 1 6 2037 1 1 13 ALA N N -1.550 -8.479 -0.235 1.00 . A A . 13 ALA N 1 1 6 2038 1 1 13 ALA O O 1.365 -9.875 1.389 1.00 . A A . 13 ALA O 1 1 6 2039 1 1 14 ALA C C 1.145 -8.397 3.893 1.00 . A A . 14 ALA C 1 1 6 2040 1 1 14 ALA CA C -0.154 -9.132 3.580 1.00 . A A . 14 ALA CA 1 1 6 2041 1 1 14 ALA CB C -0.019 -10.610 3.912 1.00 . A A . 14 ALA CB 1 1 6 2042 1 1 14 ALA H H -1.394 -8.549 1.970 1.00 . A A . 14 ALA H 1 1 6 2043 1 1 14 ALA HA H -0.944 -8.722 4.191 1.00 . A A . 14 ALA HA 1 1 6 2044 1 1 14 ALA HB1 H 1.022 -10.896 3.868 1.00 . A A . 14 ALA HB1 1 1 6 2045 1 1 14 ALA HB2 H -0.582 -11.193 3.197 1.00 . A A . 14 ALA HB2 1 1 6 2046 1 1 14 ALA HB3 H -0.401 -10.793 4.906 1.00 . A A . 14 ALA HB3 1 1 6 2047 1 1 14 ALA N N -0.531 -8.960 2.183 1.00 . A A . 14 ALA N 1 1 6 2048 1 1 14 ALA O O 1.916 -8.819 4.756 1.00 . A A . 14 ALA O 1 1 6 2049 1 1 15 ASN C C 2.249 -5.021 3.518 1.00 . A A . 15 ASN C 1 1 6 2050 1 1 15 ASN CA C 2.588 -6.503 3.391 1.00 . A A . 15 ASN CA 1 1 6 2051 1 1 15 ASN CB C 3.566 -6.717 2.234 1.00 . A A . 15 ASN CB 1 1 6 2052 1 1 15 ASN CG C 5.008 -6.766 2.698 1.00 . A A . 15 ASN CG 1 1 6 2053 1 1 15 ASN H H 0.729 -7.011 2.513 1.00 . A A . 15 ASN H 1 1 6 2054 1 1 15 ASN HA H 3.052 -6.834 4.308 1.00 . A A . 15 ASN HA 1 1 6 2055 1 1 15 ASN HB2 H 3.334 -7.651 1.743 1.00 . A A . 15 ASN HB2 1 1 6 2056 1 1 15 ASN HB3 H 3.461 -5.907 1.528 1.00 . A A . 15 ASN HB3 1 1 6 2057 1 1 15 ASN HD21 H 4.961 -8.754 2.717 1.00 . A A . 15 ASN HD21 1 1 6 2058 1 1 15 ASN HD22 H 6.460 -8.034 3.187 1.00 . A A . 15 ASN HD22 1 1 6 2059 1 1 15 ASN N N 1.381 -7.297 3.187 1.00 . A A . 15 ASN N 1 1 6 2060 1 1 15 ASN ND2 N 5.528 -7.973 2.886 1.00 . A A . 15 ASN ND2 1 1 6 2061 1 1 15 ASN O O 1.462 -4.484 2.737 1.00 . A A . 15 ASN O 1 1 6 2062 1 1 15 ASN OD1 O 5.648 -5.731 2.886 1.00 . A A . 15 ASN OD1 1 1 6 2063 1 1 16 VAL C C 3.750 -2.100 4.184 1.00 . A A . 16 VAL C 1 1 6 2064 1 1 16 VAL CA C 2.608 -2.946 4.737 1.00 . A A . 16 VAL CA 1 1 6 2065 1 1 16 VAL CB C 2.438 -2.640 6.237 1.00 . A A . 16 VAL CB 1 1 6 2066 1 1 16 VAL CG1 C 1.989 -1.201 6.440 1.00 . A A . 16 VAL CG1 1 1 6 2067 1 1 16 VAL CG2 C 1.452 -3.609 6.870 1.00 . A A . 16 VAL CG2 1 1 6 2068 1 1 16 VAL H H 3.464 -4.848 5.097 1.00 . A A . 16 VAL H 1 1 6 2069 1 1 16 VAL HA H 1.694 -2.674 4.229 1.00 . A A . 16 VAL HA 1 1 6 2070 1 1 16 VAL HB H 3.395 -2.766 6.720 1.00 . A A . 16 VAL HB 1 1 6 2071 1 1 16 VAL HG11 H 1.492 -1.111 7.396 1.00 . A A . 16 VAL HG11 1 1 6 2072 1 1 16 VAL HG12 H 1.306 -0.922 5.652 1.00 . A A . 16 VAL HG12 1 1 6 2073 1 1 16 VAL HG13 H 2.850 -0.548 6.420 1.00 . A A . 16 VAL HG13 1 1 6 2074 1 1 16 VAL HG21 H 0.522 -3.588 6.321 1.00 . A A . 16 VAL HG21 1 1 6 2075 1 1 16 VAL HG22 H 1.272 -3.319 7.895 1.00 . A A . 16 VAL HG22 1 1 6 2076 1 1 16 VAL HG23 H 1.863 -4.608 6.845 1.00 . A A . 16 VAL HG23 1 1 6 2077 1 1 16 VAL N N 2.847 -4.366 4.507 1.00 . A A . 16 VAL N 1 1 6 2078 1 1 16 VAL O O 3.526 -1.149 3.436 1.00 . A A . 16 VAL O 1 1 6 2079 1 1 17 ALA C C 6.320 -1.846 2.589 1.00 . A A . 17 ALA C 1 1 6 2080 1 1 17 ALA CA C 6.154 -1.725 4.099 1.00 . A A . 17 ALA CA 1 1 6 2081 1 1 17 ALA CB C 7.398 -2.235 4.811 1.00 . A A . 17 ALA CB 1 1 6 2082 1 1 17 ALA H H 5.092 -3.221 5.156 1.00 . A A . 17 ALA H 1 1 6 2083 1 1 17 ALA HA H 6.022 -0.685 4.355 1.00 . A A . 17 ALA HA 1 1 6 2084 1 1 17 ALA HB1 H 7.448 -3.311 4.724 1.00 . A A . 17 ALA HB1 1 1 6 2085 1 1 17 ALA HB2 H 7.354 -1.960 5.854 1.00 . A A . 17 ALA HB2 1 1 6 2086 1 1 17 ALA HB3 H 8.276 -1.795 4.360 1.00 . A A . 17 ALA HB3 1 1 6 2087 1 1 17 ALA N N 4.976 -2.453 4.558 1.00 . A A . 17 ALA N 1 1 6 2088 1 1 17 ALA O O 6.579 -0.857 1.902 1.00 . A A . 17 ALA O 1 1 6 2089 1 1 18 ALA C C 5.311 -2.466 -0.151 1.00 . A A . 18 ALA C 1 1 6 2090 1 1 18 ALA CA C 6.299 -3.312 0.645 1.00 . A A . 18 ALA CA 1 1 6 2091 1 1 18 ALA CB C 6.093 -4.789 0.345 1.00 . A A . 18 ALA CB 1 1 6 2092 1 1 18 ALA H H 5.960 -3.812 2.673 1.00 . A A . 18 ALA H 1 1 6 2093 1 1 18 ALA HA H 7.304 -3.045 0.352 1.00 . A A . 18 ALA HA 1 1 6 2094 1 1 18 ALA HB1 H 6.889 -5.362 0.796 1.00 . A A . 18 ALA HB1 1 1 6 2095 1 1 18 ALA HB2 H 6.100 -4.943 -0.724 1.00 . A A . 18 ALA HB2 1 1 6 2096 1 1 18 ALA HB3 H 5.144 -5.110 0.749 1.00 . A A . 18 ALA HB3 1 1 6 2097 1 1 18 ALA N N 6.167 -3.063 2.076 1.00 . A A . 18 ALA N 1 1 6 2098 1 1 18 ALA O O 5.605 -2.032 -1.265 1.00 . A A . 18 ALA O 1 1 6 2099 1 1 19 HIS C C 3.456 0.051 -0.173 1.00 . A A . 19 HIS C 1 1 6 2100 1 1 19 HIS CA C 3.106 -1.437 -0.221 1.00 . A A . 19 HIS CA 1 1 6 2101 1 1 19 HIS CB C 1.744 -1.693 0.442 1.00 . A A . 19 HIS CB 1 1 6 2102 1 1 19 HIS CD2 C 0.418 0.352 1.301 1.00 . A A . 19 HIS CD2 1 1 6 2103 1 1 19 HIS CE1 C -0.580 0.837 -0.569 1.00 . A A . 19 HIS CE1 1 1 6 2104 1 1 19 HIS CG C 0.789 -0.539 0.348 1.00 . A A . 19 HIS CG 1 1 6 2105 1 1 19 HIS H H 3.964 -2.605 1.320 1.00 . A A . 19 HIS H 1 1 6 2106 1 1 19 HIS HA H 3.055 -1.747 -1.255 1.00 . A A . 19 HIS HA 1 1 6 2107 1 1 19 HIS HB2 H 1.278 -2.544 -0.031 1.00 . A A . 19 HIS HB2 1 1 6 2108 1 1 19 HIS HB3 H 1.899 -1.912 1.489 1.00 . A A . 19 HIS HB3 1 1 6 2109 1 1 19 HIS HD2 H 0.754 0.382 2.324 1.00 . A A . 19 HIS HD2 1 1 6 2110 1 1 19 HIS HE1 H -1.173 1.349 -1.309 1.00 . A A . 19 HIS HE1 1 1 6 2111 1 1 19 HIS HE2 H -1.035 1.864 1.174 1.00 . A A . 19 HIS HE2 1 1 6 2112 1 1 19 HIS N N 4.139 -2.233 0.431 1.00 . A A . 19 HIS N 1 1 6 2113 1 1 19 HIS ND1 N 0.153 -0.224 -0.824 1.00 . A A . 19 HIS ND1 1 1 6 2114 1 1 19 HIS NE2 N -0.457 1.225 0.708 1.00 . A A . 19 HIS NE2 1 1 6 2115 1 1 19 HIS O O 3.623 0.692 -1.210 1.00 . A A . 19 HIS O 1 1 6 2116 1 1 20 MET C C 5.046 2.446 0.353 1.00 . A A . 20 MET C 1 1 6 2117 1 1 20 MET CA C 3.876 2.006 1.231 1.00 . A A . 20 MET CA 1 1 6 2118 1 1 20 MET CB C 4.198 2.279 2.701 1.00 . A A . 20 MET CB 1 1 6 2119 1 1 20 MET CE C 4.841 5.715 4.924 1.00 . A A . 20 MET CE 1 1 6 2120 1 1 20 MET CG C 4.322 3.757 3.032 1.00 . A A . 20 MET CG 1 1 6 2121 1 1 20 MET H H 3.408 0.027 1.825 1.00 . A A . 20 MET H 1 1 6 2122 1 1 20 MET HA H 3.003 2.578 0.954 1.00 . A A . 20 MET HA 1 1 6 2123 1 1 20 MET HB2 H 3.415 1.859 3.313 1.00 . A A . 20 MET HB2 1 1 6 2124 1 1 20 MET HB3 H 5.134 1.797 2.948 1.00 . A A . 20 MET HB3 1 1 6 2125 1 1 20 MET HE1 H 4.352 5.689 5.887 1.00 . A A . 20 MET HE1 1 1 6 2126 1 1 20 MET HE2 H 4.152 6.091 4.181 1.00 . A A . 20 MET HE2 1 1 6 2127 1 1 20 MET HE3 H 5.703 6.362 4.975 1.00 . A A . 20 MET HE3 1 1 6 2128 1 1 20 MET HG2 H 4.752 4.268 2.183 1.00 . A A . 20 MET HG2 1 1 6 2129 1 1 20 MET HG3 H 3.335 4.152 3.227 1.00 . A A . 20 MET HG3 1 1 6 2130 1 1 20 MET N N 3.558 0.591 1.039 1.00 . A A . 20 MET N 1 1 6 2131 1 1 20 MET O O 4.997 3.504 -0.276 1.00 . A A . 20 MET O 1 1 6 2132 1 1 20 MET SD S 5.361 4.062 4.474 1.00 . A A . 20 MET SD 1 1 6 2133 1 1 21 THR C C 6.901 2.161 -1.956 1.00 . A A . 21 THR C 1 1 6 2134 1 1 21 THR CA C 7.276 1.950 -0.491 1.00 . A A . 21 THR CA 1 1 6 2135 1 1 21 THR CB C 8.314 0.832 -0.372 1.00 . A A . 21 THR CB 1 1 6 2136 1 1 21 THR CG2 C 7.840 -0.489 -0.937 1.00 . A A . 21 THR CG2 1 1 6 2137 1 1 21 THR H H 6.083 0.804 0.834 1.00 . A A . 21 THR H 1 1 6 2138 1 1 21 THR HA H 7.702 2.865 -0.107 1.00 . A A . 21 THR HA 1 1 6 2139 1 1 21 THR HB H 8.548 0.682 0.671 1.00 . A A . 21 THR HB 1 1 6 2140 1 1 21 THR HG1 H 9.787 2.061 -0.773 1.00 . A A . 21 THR HG1 1 1 6 2141 1 1 21 THR HG21 H 7.036 -0.314 -1.635 1.00 . A A . 21 THR HG21 1 1 6 2142 1 1 21 THR HG22 H 7.489 -1.118 -0.133 1.00 . A A . 21 THR HG22 1 1 6 2143 1 1 21 THR HG23 H 8.658 -0.977 -1.446 1.00 . A A . 21 THR HG23 1 1 6 2144 1 1 21 THR N N 6.098 1.634 0.313 1.00 . A A . 21 THR N 1 1 6 2145 1 1 21 THR O O 7.598 2.861 -2.691 1.00 . A A . 21 THR O 1 1 6 2146 1 1 21 THR OG1 O 9.508 1.185 -1.048 1.00 . A A . 21 THR OG1 1 1 6 2147 1 1 22 HIS C C 3.964 2.359 -3.804 1.00 . A A . 22 HIS C 1 1 6 2148 1 1 22 HIS CA C 5.326 1.663 -3.747 1.00 . A A . 22 HIS CA 1 1 6 2149 1 1 22 HIS CB C 5.256 0.261 -4.384 1.00 . A A . 22 HIS CB 1 1 6 2150 1 1 22 HIS CD2 C 2.682 -0.115 -4.588 1.00 . A A . 22 HIS CD2 1 1 6 2151 1 1 22 HIS CE1 C 2.612 -0.634 -6.718 1.00 . A A . 22 HIS CE1 1 1 6 2152 1 1 22 HIS CG C 3.955 -0.068 -5.064 1.00 . A A . 22 HIS CG 1 1 6 2153 1 1 22 HIS H H 5.288 1.006 -1.747 1.00 . A A . 22 HIS H 1 1 6 2154 1 1 22 HIS HA H 6.040 2.257 -4.284 1.00 . A A . 22 HIS HA 1 1 6 2155 1 1 22 HIS HB2 H 6.038 0.177 -5.122 1.00 . A A . 22 HIS HB2 1 1 6 2156 1 1 22 HIS HB3 H 5.422 -0.478 -3.614 1.00 . A A . 22 HIS HB3 1 1 6 2157 1 1 22 HIS HD1 H 4.627 -0.456 -7.022 1.00 . A A . 22 HIS HD1 1 1 6 2158 1 1 22 HIS HD2 H 2.360 0.096 -3.571 1.00 . A A . 22 HIS HD2 1 1 6 2159 1 1 22 HIS HE1 H 2.249 -0.916 -7.696 1.00 . A A . 22 HIS HE1 1 1 6 2160 1 1 22 HIS HE2 H 0.893 -0.512 -5.613 1.00 . A A . 22 HIS HE2 1 1 6 2161 1 1 22 HIS N N 5.797 1.548 -2.375 1.00 . A A . 22 HIS N 1 1 6 2162 1 1 22 HIS ND1 N 3.872 -0.401 -6.400 1.00 . A A . 22 HIS ND1 1 1 6 2163 1 1 22 HIS NE2 N 1.871 -0.469 -5.638 1.00 . A A . 22 HIS NE2 1 1 6 2164 1 1 22 HIS O O 3.355 2.473 -4.868 1.00 . A A . 22 HIS O 1 1 6 2165 1 1 23 CYS C C 2.213 4.585 -1.545 1.00 . A A . 23 CYS C 1 1 6 2166 1 1 23 CYS CA C 2.191 3.454 -2.569 1.00 . A A . 23 CYS CA 1 1 6 2167 1 1 23 CYS CB C 1.152 2.413 -2.167 1.00 . A A . 23 CYS CB 1 1 6 2168 1 1 23 CYS H H 3.997 2.676 -1.836 1.00 . A A . 23 CYS H 1 1 6 2169 1 1 23 CYS HA H 1.942 3.852 -3.541 1.00 . A A . 23 CYS HA 1 1 6 2170 1 1 23 CYS HB2 H 1.652 1.621 -1.628 1.00 . A A . 23 CYS HB2 1 1 6 2171 1 1 23 CYS HB3 H 0.430 2.872 -1.515 1.00 . A A . 23 CYS HB3 1 1 6 2172 1 1 23 CYS N N 3.483 2.805 -2.652 1.00 . A A . 23 CYS N 1 1 6 2173 1 1 23 CYS O O 1.201 4.880 -0.909 1.00 . A A . 23 CYS O 1 1 6 2174 1 1 23 CYS SG S 0.257 1.638 -3.557 1.00 . A A . 23 CYS SG 1 1 6 2175 1 1 24 ALA C C 2.559 7.449 -0.754 1.00 . A A . 24 ALA C 1 1 6 2176 1 1 24 ALA CA C 3.528 6.312 -0.443 1.00 . A A . 24 ALA CA 1 1 6 2177 1 1 24 ALA CB C 4.962 6.820 -0.454 1.00 . A A . 24 ALA CB 1 1 6 2178 1 1 24 ALA H H 4.145 4.934 -1.925 1.00 . A A . 24 ALA H 1 1 6 2179 1 1 24 ALA HA H 3.314 5.931 0.546 1.00 . A A . 24 ALA HA 1 1 6 2180 1 1 24 ALA HB1 H 5.625 6.018 -0.742 1.00 . A A . 24 ALA HB1 1 1 6 2181 1 1 24 ALA HB2 H 5.228 7.171 0.533 1.00 . A A . 24 ALA HB2 1 1 6 2182 1 1 24 ALA HB3 H 5.050 7.633 -1.160 1.00 . A A . 24 ALA HB3 1 1 6 2183 1 1 24 ALA N N 3.374 5.215 -1.389 1.00 . A A . 24 ALA N 1 1 6 2184 1 1 24 ALA O O 2.156 7.636 -1.901 1.00 . A A . 24 ALA O 1 1 6 2185 1 1 25 LYS C C 1.878 10.611 0.651 1.00 . A A . 25 LYS C 1 1 6 2186 1 1 25 LYS CA C 1.268 9.322 0.113 1.00 . A A . 25 LYS CA 1 1 6 2187 1 1 25 LYS CB C -0.051 9.030 0.829 1.00 . A A . 25 LYS CB 1 1 6 2188 1 1 25 LYS CD C -1.199 11.110 1.648 1.00 . A A . 25 LYS CD 1 1 6 2189 1 1 25 LYS CE C -1.800 10.545 2.925 1.00 . A A . 25 LYS CE 1 1 6 2190 1 1 25 LYS CG C -1.135 10.059 0.551 1.00 . A A . 25 LYS CG 1 1 6 2191 1 1 25 LYS H H 2.546 8.003 1.167 1.00 . A A . 25 LYS H 1 1 6 2192 1 1 25 LYS HA H 1.077 9.441 -0.943 1.00 . A A . 25 LYS HA 1 1 6 2193 1 1 25 LYS HB2 H -0.414 8.064 0.511 1.00 . A A . 25 LYS HB2 1 1 6 2194 1 1 25 LYS HB3 H 0.128 9.006 1.894 1.00 . A A . 25 LYS HB3 1 1 6 2195 1 1 25 LYS HD2 H -0.200 11.460 1.857 1.00 . A A . 25 LYS HD2 1 1 6 2196 1 1 25 LYS HD3 H -1.809 11.934 1.308 1.00 . A A . 25 LYS HD3 1 1 6 2197 1 1 25 LYS HE2 H -1.287 9.628 3.175 1.00 . A A . 25 LYS HE2 1 1 6 2198 1 1 25 LYS HE3 H -1.660 11.262 3.721 1.00 . A A . 25 LYS HE3 1 1 6 2199 1 1 25 LYS HG2 H -0.922 10.548 -0.388 1.00 . A A . 25 LYS HG2 1 1 6 2200 1 1 25 LYS HG3 H -2.089 9.556 0.489 1.00 . A A . 25 LYS HG3 1 1 6 2201 1 1 25 LYS HZ1 H -3.748 10.450 3.673 1.00 . A A . 25 LYS HZ1 1 1 6 2202 1 1 25 LYS HZ2 H -3.399 9.264 2.520 1.00 . A A . 25 LYS HZ2 1 1 6 2203 1 1 25 LYS HZ3 H -3.662 10.862 2.034 1.00 . A A . 25 LYS HZ3 1 1 6 2204 1 1 25 LYS N N 2.191 8.203 0.276 1.00 . A A . 25 LYS N 1 1 6 2205 1 1 25 LYS NZ N -3.254 10.260 2.777 1.00 . A A . 25 LYS NZ 1 1 6 2206 1 1 25 LYS O O 1.827 11.634 -0.064 1.00 . A A . 25 LYS O 1 1 6 2207 1 1 25 LYS OXT O 2.402 10.589 1.786 1.00 . A A . 25 LYS OXT 1 1 6 2208 2 2 1 ZN ZN ZN -0.303 -0.462 -2.745 1.00 . B A . 26 ZN ZN 1 1 7 2209 1 1 1 ARG C C -2.612 -0.397 6.474 1.00 . A A . 1 ARG C 1 1 7 2210 1 1 1 ARG CA C -2.693 -0.329 7.997 1.00 . A A . 1 ARG CA 1 1 7 2211 1 1 1 ARG CB C -4.052 -0.841 8.475 1.00 . A A . 1 ARG CB 1 1 7 2212 1 1 1 ARG CD C -5.494 -2.845 8.941 1.00 . A A . 1 ARG CD 1 1 7 2213 1 1 1 ARG CG C -4.074 -2.334 8.759 1.00 . A A . 1 ARG CG 1 1 7 2214 1 1 1 ARG CZ C -6.639 -4.771 9.969 1.00 . A A . 1 ARG CZ 1 1 7 2215 1 1 1 ARG H1 H -2.812 1.095 9.477 1.00 . A A . 1 ARG H1 1 1 7 2216 1 1 1 ARG H2 H -3.110 1.683 7.893 1.00 . A A . 1 ARG H2 1 1 7 2217 1 1 1 ARG H3 H -1.509 1.309 8.384 1.00 . A A . 1 ARG H3 1 1 7 2218 1 1 1 ARG HA H -1.913 -0.942 8.419 1.00 . A A . 1 ARG HA 1 1 7 2219 1 1 1 ARG HB2 H -4.321 -0.321 9.383 1.00 . A A . 1 ARG HB2 1 1 7 2220 1 1 1 ARG HB3 H -4.793 -0.630 7.718 1.00 . A A . 1 ARG HB3 1 1 7 2221 1 1 1 ARG HD2 H -6.035 -2.154 9.569 1.00 . A A . 1 ARG HD2 1 1 7 2222 1 1 1 ARG HD3 H -5.971 -2.901 7.973 1.00 . A A . 1 ARG HD3 1 1 7 2223 1 1 1 ARG HE H -4.669 -4.633 9.677 1.00 . A A . 1 ARG HE 1 1 7 2224 1 1 1 ARG HG2 H -3.619 -2.855 7.929 1.00 . A A . 1 ARG HG2 1 1 7 2225 1 1 1 ARG HG3 H -3.512 -2.528 9.660 1.00 . A A . 1 ARG HG3 1 1 7 2226 1 1 1 ARG HH11 H -7.868 -3.267 9.409 1.00 . A A . 1 ARG HH11 1 1 7 2227 1 1 1 ARG HH12 H -8.648 -4.632 10.133 1.00 . A A . 1 ARG HH12 1 1 7 2228 1 1 1 ARG HH21 H -5.693 -6.430 10.632 1.00 . A A . 1 ARG HH21 1 1 7 2229 1 1 1 ARG HH22 H -7.414 -6.428 10.828 1.00 . A A . 1 ARG HH22 1 1 7 2230 1 1 1 ARG N N -2.515 1.065 8.481 1.00 . A A . 1 ARG N 1 1 7 2231 1 1 1 ARG NE N -5.524 -4.169 9.560 1.00 . A A . 1 ARG NE 1 1 7 2232 1 1 1 ARG NH1 N -7.815 -4.174 9.825 1.00 . A A . 1 ARG NH1 1 1 7 2233 1 1 1 ARG NH2 N -6.577 -5.975 10.521 1.00 . A A . 1 ARG NH2 1 1 7 2234 1 1 1 ARG O O -2.772 0.612 5.788 1.00 . A A . 1 ARG O 1 1 7 2235 1 1 2 VAL C C -3.604 -2.206 3.919 1.00 . A A . 2 VAL C 1 1 7 2236 1 1 2 VAL CA C -2.259 -1.795 4.513 1.00 . A A . 2 VAL CA 1 1 7 2237 1 1 2 VAL CB C -1.200 -2.861 4.169 1.00 . A A . 2 VAL CB 1 1 7 2238 1 1 2 VAL CG1 C -1.585 -4.212 4.755 1.00 . A A . 2 VAL CG1 1 1 7 2239 1 1 2 VAL CG2 C -1.006 -2.959 2.664 1.00 . A A . 2 VAL CG2 1 1 7 2240 1 1 2 VAL H H -2.244 -2.361 6.552 1.00 . A A . 2 VAL H 1 1 7 2241 1 1 2 VAL HA H -1.953 -0.858 4.069 1.00 . A A . 2 VAL HA 1 1 7 2242 1 1 2 VAL HB H -0.261 -2.560 4.611 1.00 . A A . 2 VAL HB 1 1 7 2243 1 1 2 VAL HG11 H -2.321 -4.071 5.533 1.00 . A A . 2 VAL HG11 1 1 7 2244 1 1 2 VAL HG12 H -0.708 -4.688 5.169 1.00 . A A . 2 VAL HG12 1 1 7 2245 1 1 2 VAL HG13 H -2.000 -4.836 3.976 1.00 . A A . 2 VAL HG13 1 1 7 2246 1 1 2 VAL HG21 H -1.539 -3.820 2.287 1.00 . A A . 2 VAL HG21 1 1 7 2247 1 1 2 VAL HG22 H 0.045 -3.062 2.441 1.00 . A A . 2 VAL HG22 1 1 7 2248 1 1 2 VAL HG23 H -1.388 -2.066 2.192 1.00 . A A . 2 VAL HG23 1 1 7 2249 1 1 2 VAL N N -2.362 -1.594 5.954 1.00 . A A . 2 VAL N 1 1 7 2250 1 1 2 VAL O O -3.690 -3.164 3.151 1.00 . A A . 2 VAL O 1 1 7 2251 1 1 3 ILE C C -6.573 -0.555 3.047 1.00 . A A . 3 ILE C 1 1 7 2252 1 1 3 ILE CA C -5.993 -1.760 3.784 1.00 . A A . 3 ILE CA 1 1 7 2253 1 1 3 ILE CB C -6.941 -2.165 4.931 1.00 . A A . 3 ILE CB 1 1 7 2254 1 1 3 ILE CD1 C -8.863 -3.825 5.114 1.00 . A A . 3 ILE CD1 1 1 7 2255 1 1 3 ILE CG1 C -8.285 -2.640 4.372 1.00 . A A . 3 ILE CG1 1 1 7 2256 1 1 3 ILE CG2 C -7.142 -1.005 5.896 1.00 . A A . 3 ILE CG2 1 1 7 2257 1 1 3 ILE H H -4.521 -0.722 4.895 1.00 . A A . 3 ILE H 1 1 7 2258 1 1 3 ILE HA H -5.922 -2.589 3.094 1.00 . A A . 3 ILE HA 1 1 7 2259 1 1 3 ILE HB H -6.481 -2.975 5.476 1.00 . A A . 3 ILE HB 1 1 7 2260 1 1 3 ILE HD11 H -9.822 -3.557 5.531 1.00 . A A . 3 ILE HD11 1 1 7 2261 1 1 3 ILE HD12 H -8.192 -4.113 5.911 1.00 . A A . 3 ILE HD12 1 1 7 2262 1 1 3 ILE HD13 H -8.986 -4.652 4.431 1.00 . A A . 3 ILE HD13 1 1 7 2263 1 1 3 ILE HG12 H -8.998 -1.832 4.433 1.00 . A A . 3 ILE HG12 1 1 7 2264 1 1 3 ILE HG13 H -8.157 -2.924 3.339 1.00 . A A . 3 ILE HG13 1 1 7 2265 1 1 3 ILE HG21 H -6.322 -0.308 5.797 1.00 . A A . 3 ILE HG21 1 1 7 2266 1 1 3 ILE HG22 H -7.174 -1.381 6.908 1.00 . A A . 3 ILE HG22 1 1 7 2267 1 1 3 ILE HG23 H -8.070 -0.503 5.668 1.00 . A A . 3 ILE HG23 1 1 7 2268 1 1 3 ILE N N -4.653 -1.474 4.280 1.00 . A A . 3 ILE N 1 1 7 2269 1 1 3 ILE O O -7.785 -0.340 3.040 1.00 . A A . 3 ILE O 1 1 7 2270 1 1 4 ALA C C -5.904 1.231 0.188 1.00 . A A . 4 ALA C 1 1 7 2271 1 1 4 ALA CA C -6.121 1.412 1.687 1.00 . A A . 4 ALA CA 1 1 7 2272 1 1 4 ALA CB C -5.372 2.641 2.185 1.00 . A A . 4 ALA CB 1 1 7 2273 1 1 4 ALA H H -4.744 0.007 2.468 1.00 . A A . 4 ALA H 1 1 7 2274 1 1 4 ALA HA H -7.174 1.563 1.873 1.00 . A A . 4 ALA HA 1 1 7 2275 1 1 4 ALA HB1 H -5.858 3.022 3.071 1.00 . A A . 4 ALA HB1 1 1 7 2276 1 1 4 ALA HB2 H -5.375 3.399 1.417 1.00 . A A . 4 ALA HB2 1 1 7 2277 1 1 4 ALA HB3 H -4.353 2.370 2.420 1.00 . A A . 4 ALA HB3 1 1 7 2278 1 1 4 ALA N N -5.697 0.229 2.426 1.00 . A A . 4 ALA N 1 1 7 2279 1 1 4 ALA O O -6.648 1.777 -0.626 1.00 . A A . 4 ALA O 1 1 7 2280 1 1 5 CYS C C -5.742 -0.454 -2.281 1.00 . A A . 5 CYS C 1 1 7 2281 1 1 5 CYS CA C -4.566 0.209 -1.570 1.00 . A A . 5 CYS CA 1 1 7 2282 1 1 5 CYS CB C -3.322 -0.674 -1.685 1.00 . A A . 5 CYS CB 1 1 7 2283 1 1 5 CYS H H -4.322 0.054 0.527 1.00 . A A . 5 CYS H 1 1 7 2284 1 1 5 CYS HA H -4.366 1.160 -2.041 1.00 . A A . 5 CYS HA 1 1 7 2285 1 1 5 CYS HB2 H -2.620 -0.397 -0.913 1.00 . A A . 5 CYS HB2 1 1 7 2286 1 1 5 CYS HB3 H -3.609 -1.706 -1.548 1.00 . A A . 5 CYS HB3 1 1 7 2287 1 1 5 CYS N N -4.880 0.461 -0.168 1.00 . A A . 5 CYS N 1 1 7 2288 1 1 5 CYS O O -6.651 -0.981 -1.640 1.00 . A A . 5 CYS O 1 1 7 2289 1 1 5 CYS SG S -2.465 -0.543 -3.287 1.00 . A A . 5 CYS SG 1 1 7 2290 1 1 6 PHE C C -6.216 -2.023 -5.405 1.00 . A A . 6 PHE C 1 1 7 2291 1 1 6 PHE CA C -6.783 -1.018 -4.408 1.00 . A A . 6 PHE CA 1 1 7 2292 1 1 6 PHE CB C -7.562 0.069 -5.150 1.00 . A A . 6 PHE CB 1 1 7 2293 1 1 6 PHE CD1 C -5.804 1.803 -5.594 1.00 . A A . 6 PHE CD1 1 1 7 2294 1 1 6 PHE CD2 C -6.830 0.728 -7.459 1.00 . A A . 6 PHE CD2 1 1 7 2295 1 1 6 PHE CE1 C -5.022 2.553 -6.452 1.00 . A A . 6 PHE CE1 1 1 7 2296 1 1 6 PHE CE2 C -6.052 1.476 -8.322 1.00 . A A . 6 PHE CE2 1 1 7 2297 1 1 6 PHE CG C -6.715 0.883 -6.086 1.00 . A A . 6 PHE CG 1 1 7 2298 1 1 6 PHE CZ C -5.147 2.389 -7.817 1.00 . A A . 6 PHE CZ 1 1 7 2299 1 1 6 PHE H H -4.967 0.015 -4.064 1.00 . A A . 6 PHE H 1 1 7 2300 1 1 6 PHE HA H -7.453 -1.534 -3.736 1.00 . A A . 6 PHE HA 1 1 7 2301 1 1 6 PHE HB2 H -8.347 -0.393 -5.730 1.00 . A A . 6 PHE HB2 1 1 7 2302 1 1 6 PHE HB3 H -8.003 0.741 -4.429 1.00 . A A . 6 PHE HB3 1 1 7 2303 1 1 6 PHE HD1 H -5.704 1.931 -4.525 1.00 . A A . 6 PHE HD1 1 1 7 2304 1 1 6 PHE HD2 H -7.538 0.015 -7.853 1.00 . A A . 6 PHE HD2 1 1 7 2305 1 1 6 PHE HE1 H -4.314 3.266 -6.055 1.00 . A A . 6 PHE HE1 1 1 7 2306 1 1 6 PHE HE2 H -6.151 1.346 -9.389 1.00 . A A . 6 PHE HE2 1 1 7 2307 1 1 6 PHE HZ H -4.536 2.974 -8.490 1.00 . A A . 6 PHE HZ 1 1 7 2308 1 1 6 PHE N N -5.718 -0.421 -3.610 1.00 . A A . 6 PHE N 1 1 7 2309 1 1 6 PHE O O -6.721 -2.159 -6.521 1.00 . A A . 6 PHE O 1 1 7 2310 1 1 7 LEU C C -4.419 -5.064 -5.141 1.00 . A A . 7 LEU C 1 1 7 2311 1 1 7 LEU CA C -4.531 -3.722 -5.855 1.00 . A A . 7 LEU CA 1 1 7 2312 1 1 7 LEU CB C -3.143 -3.242 -6.286 1.00 . A A . 7 LEU CB 1 1 7 2313 1 1 7 LEU CD1 C -1.845 -1.481 -7.507 1.00 . A A . 7 LEU CD1 1 1 7 2314 1 1 7 LEU CD2 C -3.292 -3.073 -8.781 1.00 . A A . 7 LEU CD2 1 1 7 2315 1 1 7 LEU CG C -3.129 -2.293 -7.485 1.00 . A A . 7 LEU CG 1 1 7 2316 1 1 7 LEU H H -4.809 -2.575 -4.097 1.00 . A A . 7 LEU H 1 1 7 2317 1 1 7 LEU HA H -5.147 -3.845 -6.732 1.00 . A A . 7 LEU HA 1 1 7 2318 1 1 7 LEU HB2 H -2.684 -2.738 -5.447 1.00 . A A . 7 LEU HB2 1 1 7 2319 1 1 7 LEU HB3 H -2.548 -4.109 -6.534 1.00 . A A . 7 LEU HB3 1 1 7 2320 1 1 7 LEU HD11 H -1.495 -1.332 -6.496 1.00 . A A . 7 LEU HD11 1 1 7 2321 1 1 7 LEU HD12 H -2.032 -0.522 -7.968 1.00 . A A . 7 LEU HD12 1 1 7 2322 1 1 7 LEU HD13 H -1.093 -2.011 -8.073 1.00 . A A . 7 LEU HD13 1 1 7 2323 1 1 7 LEU HD21 H -3.791 -2.455 -9.513 1.00 . A A . 7 LEU HD21 1 1 7 2324 1 1 7 LEU HD22 H -3.880 -3.959 -8.598 1.00 . A A . 7 LEU HD22 1 1 7 2325 1 1 7 LEU HD23 H -2.319 -3.357 -9.155 1.00 . A A . 7 LEU HD23 1 1 7 2326 1 1 7 LEU HG H -3.957 -1.605 -7.401 1.00 . A A . 7 LEU HG 1 1 7 2327 1 1 7 LEU N N -5.165 -2.727 -4.997 1.00 . A A . 7 LEU N 1 1 7 2328 1 1 7 LEU O O -4.284 -5.120 -3.918 1.00 . A A . 7 LEU O 1 1 7 2329 1 1 8 LYS C C -2.948 -7.797 -4.919 1.00 . A A . 8 LYS C 1 1 7 2330 1 1 8 LYS CA C -4.378 -7.489 -5.353 1.00 . A A . 8 LYS CA 1 1 7 2331 1 1 8 LYS CB C -4.847 -8.525 -6.376 1.00 . A A . 8 LYS CB 1 1 7 2332 1 1 8 LYS CD C -6.935 -7.848 -7.599 1.00 . A A . 8 LYS CD 1 1 7 2333 1 1 8 LYS CE C -7.487 -6.517 -7.115 1.00 . A A . 8 LYS CE 1 1 7 2334 1 1 8 LYS CG C -6.359 -8.663 -6.453 1.00 . A A . 8 LYS CG 1 1 7 2335 1 1 8 LYS H H -4.581 -6.037 -6.879 1.00 . A A . 8 LYS H 1 1 7 2336 1 1 8 LYS HA H -5.022 -7.534 -4.487 1.00 . A A . 8 LYS HA 1 1 7 2337 1 1 8 LYS HB2 H -4.483 -8.241 -7.352 1.00 . A A . 8 LYS HB2 1 1 7 2338 1 1 8 LYS HB3 H -4.432 -9.486 -6.113 1.00 . A A . 8 LYS HB3 1 1 7 2339 1 1 8 LYS HD2 H -6.156 -7.660 -8.323 1.00 . A A . 8 LYS HD2 1 1 7 2340 1 1 8 LYS HD3 H -7.732 -8.411 -8.064 1.00 . A A . 8 LYS HD3 1 1 7 2341 1 1 8 LYS HE2 H -8.213 -6.704 -6.337 1.00 . A A . 8 LYS HE2 1 1 7 2342 1 1 8 LYS HE3 H -6.675 -5.930 -6.713 1.00 . A A . 8 LYS HE3 1 1 7 2343 1 1 8 LYS HG2 H -6.608 -9.702 -6.602 1.00 . A A . 8 LYS HG2 1 1 7 2344 1 1 8 LYS HG3 H -6.790 -8.317 -5.525 1.00 . A A . 8 LYS HG3 1 1 7 2345 1 1 8 LYS HZ1 H -8.697 -6.397 -8.813 1.00 . A A . 8 LYS HZ1 1 1 7 2346 1 1 8 LYS HZ2 H -7.423 -5.285 -8.800 1.00 . A A . 8 LYS HZ2 1 1 7 2347 1 1 8 LYS HZ3 H -8.777 -5.032 -7.817 1.00 . A A . 8 LYS HZ3 1 1 7 2348 1 1 8 LYS N N -4.474 -6.145 -5.912 1.00 . A A . 8 LYS N 1 1 7 2349 1 1 8 LYS NZ N -8.142 -5.754 -8.213 1.00 . A A . 8 LYS NZ 1 1 7 2350 1 1 8 LYS O O -2.693 -8.099 -3.754 1.00 . A A . 8 LYS O 1 1 7 2351 1 1 9 VAL C C -0.047 -6.975 -4.588 1.00 . A A . 9 VAL C 1 1 7 2352 1 1 9 VAL CA C -0.615 -7.986 -5.581 1.00 . A A . 9 VAL CA 1 1 7 2353 1 1 9 VAL CB C 0.233 -7.962 -6.870 1.00 . A A . 9 VAL CB 1 1 7 2354 1 1 9 VAL CG1 C 0.162 -6.595 -7.534 1.00 . A A . 9 VAL CG1 1 1 7 2355 1 1 9 VAL CG2 C 1.675 -8.345 -6.571 1.00 . A A . 9 VAL CG2 1 1 7 2356 1 1 9 VAL H H -2.284 -7.471 -6.776 1.00 . A A . 9 VAL H 1 1 7 2357 1 1 9 VAL HA H -0.546 -8.975 -5.151 1.00 . A A . 9 VAL HA 1 1 7 2358 1 1 9 VAL HB H -0.174 -8.689 -7.556 1.00 . A A . 9 VAL HB 1 1 7 2359 1 1 9 VAL HG11 H 1.130 -6.341 -7.941 1.00 . A A . 9 VAL HG11 1 1 7 2360 1 1 9 VAL HG12 H -0.126 -5.853 -6.805 1.00 . A A . 9 VAL HG12 1 1 7 2361 1 1 9 VAL HG13 H -0.568 -6.619 -8.330 1.00 . A A . 9 VAL HG13 1 1 7 2362 1 1 9 VAL HG21 H 2.066 -8.937 -7.384 1.00 . A A . 9 VAL HG21 1 1 7 2363 1 1 9 VAL HG22 H 1.714 -8.918 -5.656 1.00 . A A . 9 VAL HG22 1 1 7 2364 1 1 9 VAL HG23 H 2.269 -7.450 -6.460 1.00 . A A . 9 VAL HG23 1 1 7 2365 1 1 9 VAL N N -2.019 -7.717 -5.865 1.00 . A A . 9 VAL N 1 1 7 2366 1 1 9 VAL O O 0.935 -7.252 -3.900 1.00 . A A . 9 VAL O 1 1 7 2367 1 1 10 CYS C C -0.967 -4.826 -2.280 1.00 . A A . 10 CYS C 1 1 7 2368 1 1 10 CYS CA C -0.223 -4.753 -3.610 1.00 . A A . 10 CYS CA 1 1 7 2369 1 1 10 CYS CB C -0.430 -3.376 -4.246 1.00 . A A . 10 CYS CB 1 1 7 2370 1 1 10 CYS H H -1.446 -5.637 -5.092 1.00 . A A . 10 CYS H 1 1 7 2371 1 1 10 CYS HA H 0.831 -4.900 -3.427 1.00 . A A . 10 CYS HA 1 1 7 2372 1 1 10 CYS HB2 H -0.432 -3.483 -5.321 1.00 . A A . 10 CYS HB2 1 1 7 2373 1 1 10 CYS HB3 H -1.382 -2.981 -3.927 1.00 . A A . 10 CYS HB3 1 1 7 2374 1 1 10 CYS N N -0.670 -5.802 -4.518 1.00 . A A . 10 CYS N 1 1 7 2375 1 1 10 CYS O O -0.360 -5.035 -1.229 1.00 . A A . 10 CYS O 1 1 7 2376 1 1 10 CYS SG S 0.853 -2.157 -3.814 1.00 . A A . 10 CYS SG 1 1 7 2377 1 1 11 ALA C C -3.297 -6.128 -0.640 1.00 . A A . 11 ALA C 1 1 7 2378 1 1 11 ALA CA C -3.110 -4.696 -1.132 1.00 . A A . 11 ALA CA 1 1 7 2379 1 1 11 ALA CB C -4.460 -4.048 -1.399 1.00 . A A . 11 ALA CB 1 1 7 2380 1 1 11 ALA H H -2.710 -4.488 -3.200 1.00 . A A . 11 ALA H 1 1 7 2381 1 1 11 ALA HA H -2.609 -4.125 -0.363 1.00 . A A . 11 ALA HA 1 1 7 2382 1 1 11 ALA HB1 H -4.756 -3.465 -0.538 1.00 . A A . 11 ALA HB1 1 1 7 2383 1 1 11 ALA HB2 H -5.198 -4.816 -1.584 1.00 . A A . 11 ALA HB2 1 1 7 2384 1 1 11 ALA HB3 H -4.386 -3.403 -2.261 1.00 . A A . 11 ALA HB3 1 1 7 2385 1 1 11 ALA N N -2.284 -4.652 -2.333 1.00 . A A . 11 ALA N 1 1 7 2386 1 1 11 ALA O O -3.181 -6.404 0.553 1.00 . A A . 11 ALA O 1 1 7 2387 1 1 12 ALA C C -2.475 -9.213 -1.184 1.00 . A A . 12 ALA C 1 1 7 2388 1 1 12 ALA CA C -3.793 -8.440 -1.230 1.00 . A A . 12 ALA CA 1 1 7 2389 1 1 12 ALA CB C -4.747 -9.084 -2.226 1.00 . A A . 12 ALA CB 1 1 7 2390 1 1 12 ALA H H -3.668 -6.753 -2.503 1.00 . A A . 12 ALA H 1 1 7 2391 1 1 12 ALA HA H -4.253 -8.482 -0.254 1.00 . A A . 12 ALA HA 1 1 7 2392 1 1 12 ALA HB1 H -5.378 -9.794 -1.711 1.00 . A A . 12 ALA HB1 1 1 7 2393 1 1 12 ALA HB2 H -4.178 -9.596 -2.989 1.00 . A A . 12 ALA HB2 1 1 7 2394 1 1 12 ALA HB3 H -5.359 -8.322 -2.682 1.00 . A A . 12 ALA HB3 1 1 7 2395 1 1 12 ALA N N -3.587 -7.034 -1.568 1.00 . A A . 12 ALA N 1 1 7 2396 1 1 12 ALA O O -2.425 -10.386 -1.552 1.00 . A A . 12 ALA O 1 1 7 2397 1 1 13 ALA C C 0.327 -9.393 0.811 1.00 . A A . 13 ALA C 1 1 7 2398 1 1 13 ALA CA C -0.102 -9.193 -0.643 1.00 . A A . 13 ALA CA 1 1 7 2399 1 1 13 ALA CB C 0.935 -8.370 -1.394 1.00 . A A . 13 ALA CB 1 1 7 2400 1 1 13 ALA H H -1.505 -7.624 -0.451 1.00 . A A . 13 ALA H 1 1 7 2401 1 1 13 ALA HA H -0.172 -10.159 -1.120 1.00 . A A . 13 ALA HA 1 1 7 2402 1 1 13 ALA HB1 H 1.839 -8.305 -0.806 1.00 . A A . 13 ALA HB1 1 1 7 2403 1 1 13 ALA HB2 H 0.548 -7.378 -1.571 1.00 . A A . 13 ALA HB2 1 1 7 2404 1 1 13 ALA HB3 H 1.155 -8.845 -2.340 1.00 . A A . 13 ALA HB3 1 1 7 2405 1 1 13 ALA N N -1.411 -8.555 -0.732 1.00 . A A . 13 ALA N 1 1 7 2406 1 1 13 ALA O O 1.405 -9.925 1.078 1.00 . A A . 13 ALA O 1 1 7 2407 1 1 14 ALA C C 1.094 -8.407 3.521 1.00 . A A . 14 ALA C 1 1 7 2408 1 1 14 ALA CA C -0.216 -9.101 3.166 1.00 . A A . 14 ALA CA 1 1 7 2409 1 1 14 ALA CB C -0.157 -10.572 3.553 1.00 . A A . 14 ALA CB 1 1 7 2410 1 1 14 ALA H H -1.361 -8.549 1.477 1.00 . A A . 14 ALA H 1 1 7 2411 1 1 14 ALA HA H -1.018 -8.639 3.723 1.00 . A A . 14 ALA HA 1 1 7 2412 1 1 14 ALA HB1 H 0.541 -10.703 4.367 1.00 . A A . 14 ALA HB1 1 1 7 2413 1 1 14 ALA HB2 H 0.166 -11.154 2.704 1.00 . A A . 14 ALA HB2 1 1 7 2414 1 1 14 ALA HB3 H -1.138 -10.902 3.864 1.00 . A A . 14 ALA HB3 1 1 7 2415 1 1 14 ALA N N -0.517 -8.964 1.746 1.00 . A A . 14 ALA N 1 1 7 2416 1 1 14 ALA O O 1.807 -8.831 4.431 1.00 . A A . 14 ALA O 1 1 7 2417 1 1 15 ASN C C 2.338 -5.091 3.151 1.00 . A A . 15 ASN C 1 1 7 2418 1 1 15 ASN CA C 2.632 -6.584 3.034 1.00 . A A . 15 ASN CA 1 1 7 2419 1 1 15 ASN CB C 3.635 -6.832 1.907 1.00 . A A . 15 ASN CB 1 1 7 2420 1 1 15 ASN CG C 5.064 -6.908 2.410 1.00 . A A . 15 ASN CG 1 1 7 2421 1 1 15 ASN H H 0.798 -7.047 2.085 1.00 . A A . 15 ASN H 1 1 7 2422 1 1 15 ASN HA H 3.057 -6.928 3.965 1.00 . A A . 15 ASN HA 1 1 7 2423 1 1 15 ASN HB2 H 3.395 -7.765 1.419 1.00 . A A . 15 ASN HB2 1 1 7 2424 1 1 15 ASN HB3 H 3.568 -6.027 1.189 1.00 . A A . 15 ASN HB3 1 1 7 2425 1 1 15 ASN HD21 H 5.377 -8.557 1.344 1.00 . A A . 15 ASN HD21 1 1 7 2426 1 1 15 ASN HD22 H 6.721 -7.997 2.273 1.00 . A A . 15 ASN HD22 1 1 7 2427 1 1 15 ASN N N 1.406 -7.337 2.797 1.00 . A A . 15 ASN N 1 1 7 2428 1 1 15 ASN ND2 N 5.794 -7.923 1.963 1.00 . A A . 15 ASN ND2 1 1 7 2429 1 1 15 ASN O O 1.768 -4.488 2.243 1.00 . A A . 15 ASN O 1 1 7 2430 1 1 15 ASN OD1 O 5.505 -6.064 3.189 1.00 . A A . 15 ASN OD1 1 1 7 2431 1 1 16 VAL C C 3.682 -2.249 3.994 1.00 . A A . 16 VAL C 1 1 7 2432 1 1 16 VAL CA C 2.513 -3.081 4.510 1.00 . A A . 16 VAL CA 1 1 7 2433 1 1 16 VAL CB C 2.309 -2.783 6.008 1.00 . A A . 16 VAL CB 1 1 7 2434 1 1 16 VAL CG1 C 1.889 -1.336 6.214 1.00 . A A . 16 VAL CG1 1 1 7 2435 1 1 16 VAL CG2 C 1.284 -3.734 6.607 1.00 . A A . 16 VAL CG2 1 1 7 2436 1 1 16 VAL H H 3.183 -5.035 4.963 1.00 . A A . 16 VAL H 1 1 7 2437 1 1 16 VAL HA H 1.616 -2.790 3.982 1.00 . A A . 16 VAL HA 1 1 7 2438 1 1 16 VAL HB H 3.250 -2.936 6.516 1.00 . A A . 16 VAL HB 1 1 7 2439 1 1 16 VAL HG11 H 1.446 -1.226 7.192 1.00 . A A . 16 VAL HG11 1 1 7 2440 1 1 16 VAL HG12 H 1.167 -1.060 5.460 1.00 . A A . 16 VAL HG12 1 1 7 2441 1 1 16 VAL HG13 H 2.754 -0.695 6.136 1.00 . A A . 16 VAL HG13 1 1 7 2442 1 1 16 VAL HG21 H 0.290 -3.410 6.336 1.00 . A A . 16 VAL HG21 1 1 7 2443 1 1 16 VAL HG22 H 1.381 -3.737 7.682 1.00 . A A . 16 VAL HG22 1 1 7 2444 1 1 16 VAL HG23 H 1.453 -4.731 6.228 1.00 . A A . 16 VAL HG23 1 1 7 2445 1 1 16 VAL N N 2.733 -4.502 4.276 1.00 . A A . 16 VAL N 1 1 7 2446 1 1 16 VAL O O 3.497 -1.326 3.200 1.00 . A A . 16 VAL O 1 1 7 2447 1 1 17 ALA C C 6.281 -1.956 2.522 1.00 . A A . 17 ALA C 1 1 7 2448 1 1 17 ALA CA C 6.084 -1.867 4.031 1.00 . A A . 17 ALA CA 1 1 7 2449 1 1 17 ALA CB C 7.304 -2.414 4.758 1.00 . A A . 17 ALA CB 1 1 7 2450 1 1 17 ALA H H 4.968 -3.328 5.079 1.00 . A A . 17 ALA H 1 1 7 2451 1 1 17 ALA HA H 5.965 -0.830 4.308 1.00 . A A . 17 ALA HA 1 1 7 2452 1 1 17 ALA HB1 H 7.136 -3.449 5.014 1.00 . A A . 17 ALA HB1 1 1 7 2453 1 1 17 ALA HB2 H 7.473 -1.842 5.659 1.00 . A A . 17 ALA HB2 1 1 7 2454 1 1 17 ALA HB3 H 8.170 -2.338 4.116 1.00 . A A . 17 ALA HB3 1 1 7 2455 1 1 17 ALA N N 4.886 -2.583 4.448 1.00 . A A . 17 ALA N 1 1 7 2456 1 1 17 ALA O O 6.579 -0.959 1.866 1.00 . A A . 17 ALA O 1 1 7 2457 1 1 18 ALA C C 5.318 -2.486 -0.252 1.00 . A A . 18 ALA C 1 1 7 2458 1 1 18 ALA CA C 6.267 -3.375 0.544 1.00 . A A . 18 ALA CA 1 1 7 2459 1 1 18 ALA CB C 6.032 -4.838 0.204 1.00 . A A . 18 ALA CB 1 1 7 2460 1 1 18 ALA H H 5.871 -3.913 2.553 1.00 . A A . 18 ALA H 1 1 7 2461 1 1 18 ALA HA H 7.284 -3.126 0.279 1.00 . A A . 18 ALA HA 1 1 7 2462 1 1 18 ALA HB1 H 6.468 -5.059 -0.759 1.00 . A A . 18 ALA HB1 1 1 7 2463 1 1 18 ALA HB2 H 4.971 -5.035 0.172 1.00 . A A . 18 ALA HB2 1 1 7 2464 1 1 18 ALA HB3 H 6.492 -5.461 0.958 1.00 . A A . 18 ALA HB3 1 1 7 2465 1 1 18 ALA N N 6.110 -3.157 1.977 1.00 . A A . 18 ALA N 1 1 7 2466 1 1 18 ALA O O 5.657 -2.012 -1.336 1.00 . A A . 18 ALA O 1 1 7 2467 1 1 19 HIS C C 3.493 0.050 -0.241 1.00 . A A . 19 HIS C 1 1 7 2468 1 1 19 HIS CA C 3.128 -1.429 -0.362 1.00 . A A . 19 HIS CA 1 1 7 2469 1 1 19 HIS CB C 1.739 -1.695 0.241 1.00 . A A . 19 HIS CB 1 1 7 2470 1 1 19 HIS CD2 C 0.417 0.333 1.146 1.00 . A A . 19 HIS CD2 1 1 7 2471 1 1 19 HIS CE1 C -0.520 0.910 -0.729 1.00 . A A . 19 HIS CE1 1 1 7 2472 1 1 19 HIS CG C 0.804 -0.524 0.169 1.00 . A A . 19 HIS CG 1 1 7 2473 1 1 19 HIS H H 3.917 -2.668 1.162 1.00 . A A . 19 HIS H 1 1 7 2474 1 1 19 HIS HA H 3.112 -1.697 -1.407 1.00 . A A . 19 HIS HA 1 1 7 2475 1 1 19 HIS HB2 H 1.279 -2.516 -0.287 1.00 . A A . 19 HIS HB2 1 1 7 2476 1 1 19 HIS HB3 H 1.855 -1.964 1.281 1.00 . A A . 19 HIS HB3 1 1 7 2477 1 1 19 HIS HD2 H 0.724 0.316 2.179 1.00 . A A . 19 HIS HD2 1 1 7 2478 1 1 19 HIS HE1 H -1.085 1.460 -1.463 1.00 . A A . 19 HIS HE1 1 1 7 2479 1 1 19 HIS HE2 H -0.726 2.086 0.967 1.00 . A A . 19 HIS HE2 1 1 7 2480 1 1 19 HIS N N 4.128 -2.262 0.295 1.00 . A A . 19 HIS N 1 1 7 2481 1 1 19 HIS ND1 N 0.204 -0.151 -1.007 1.00 . A A . 19 HIS ND1 1 1 7 2482 1 1 19 HIS NE2 N -0.428 1.242 0.566 1.00 . A A . 19 HIS NE2 1 1 7 2483 1 1 19 HIS O O 3.693 0.734 -1.244 1.00 . A A . 19 HIS O 1 1 7 2484 1 1 20 MET C C 5.098 2.400 0.430 1.00 . A A . 20 MET C 1 1 7 2485 1 1 20 MET CA C 3.896 1.940 1.255 1.00 . A A . 20 MET CA 1 1 7 2486 1 1 20 MET CB C 4.178 2.149 2.743 1.00 . A A . 20 MET CB 1 1 7 2487 1 1 20 MET CE C 3.734 3.635 5.839 1.00 . A A . 20 MET CE 1 1 7 2488 1 1 20 MET CG C 4.335 3.610 3.133 1.00 . A A . 20 MET CG 1 1 7 2489 1 1 20 MET H H 3.391 -0.057 1.753 1.00 . A A . 20 MET H 1 1 7 2490 1 1 20 MET HA H 3.039 2.535 0.975 1.00 . A A . 20 MET HA 1 1 7 2491 1 1 20 MET HB2 H 3.361 1.732 3.314 1.00 . A A . 20 MET HB2 1 1 7 2492 1 1 20 MET HB3 H 5.089 1.629 3.003 1.00 . A A . 20 MET HB3 1 1 7 2493 1 1 20 MET HE1 H 3.766 2.662 6.305 1.00 . A A . 20 MET HE1 1 1 7 2494 1 1 20 MET HE2 H 2.817 3.734 5.276 1.00 . A A . 20 MET HE2 1 1 7 2495 1 1 20 MET HE3 H 3.773 4.401 6.600 1.00 . A A . 20 MET HE3 1 1 7 2496 1 1 20 MET HG2 H 4.931 4.107 2.384 1.00 . A A . 20 MET HG2 1 1 7 2497 1 1 20 MET HG3 H 3.356 4.065 3.173 1.00 . A A . 20 MET HG3 1 1 7 2498 1 1 20 MET N N 3.568 0.538 0.995 1.00 . A A . 20 MET N 1 1 7 2499 1 1 20 MET O O 5.079 3.483 -0.155 1.00 . A A . 20 MET O 1 1 7 2500 1 1 20 MET SD S 5.133 3.818 4.736 1.00 . A A . 20 MET SD 1 1 7 2501 1 1 21 THR C C 7.019 2.178 -1.834 1.00 . A A . 21 THR C 1 1 7 2502 1 1 21 THR CA C 7.346 1.909 -0.366 1.00 . A A . 21 THR CA 1 1 7 2503 1 1 21 THR CB C 8.370 0.777 -0.257 1.00 . A A . 21 THR CB 1 1 7 2504 1 1 21 THR CG2 C 7.907 -0.513 -0.898 1.00 . A A . 21 THR CG2 1 1 7 2505 1 1 21 THR H H 6.099 0.727 0.876 1.00 . A A . 21 THR H 1 1 7 2506 1 1 21 THR HA H 7.768 2.804 0.065 1.00 . A A . 21 THR HA 1 1 7 2507 1 1 21 THR HB H 8.560 0.578 0.787 1.00 . A A . 21 THR HB 1 1 7 2508 1 1 21 THR HG1 H 9.927 1.948 -0.460 1.00 . A A . 21 THR HG1 1 1 7 2509 1 1 21 THR HG21 H 7.094 -0.306 -1.579 1.00 . A A . 21 THR HG21 1 1 7 2510 1 1 21 THR HG22 H 7.571 -1.196 -0.131 1.00 . A A . 21 THR HG22 1 1 7 2511 1 1 21 THR HG23 H 8.727 -0.959 -1.442 1.00 . A A . 21 THR HG23 1 1 7 2512 1 1 21 THR N N 6.140 1.577 0.388 1.00 . A A . 21 THR N 1 1 7 2513 1 1 21 THR O O 7.747 2.894 -2.521 1.00 . A A . 21 THR O 1 1 7 2514 1 1 21 THR OG1 O 9.592 1.148 -0.870 1.00 . A A . 21 THR OG1 1 1 7 2515 1 1 22 HIS C C 4.144 2.488 -3.760 1.00 . A A . 22 HIS C 1 1 7 2516 1 1 22 HIS CA C 5.492 1.768 -3.687 1.00 . A A . 22 HIS CA 1 1 7 2517 1 1 22 HIS CB C 5.422 0.391 -4.376 1.00 . A A . 22 HIS CB 1 1 7 2518 1 1 22 HIS CD2 C 2.849 0.063 -4.673 1.00 . A A . 22 HIS CD2 1 1 7 2519 1 1 22 HIS CE1 C 2.838 -0.369 -6.823 1.00 . A A . 22 HIS CE1 1 1 7 2520 1 1 22 HIS CG C 4.137 0.109 -5.107 1.00 . A A . 22 HIS CG 1 1 7 2521 1 1 22 HIS H H 5.385 1.040 -1.715 1.00 . A A . 22 HIS H 1 1 7 2522 1 1 22 HIS HA H 6.231 2.369 -4.181 1.00 . A A . 22 HIS HA 1 1 7 2523 1 1 22 HIS HB2 H 6.225 0.319 -5.093 1.00 . A A . 22 HIS HB2 1 1 7 2524 1 1 22 HIS HB3 H 5.551 -0.378 -3.628 1.00 . A A . 22 HIS HB3 1 1 7 2525 1 1 22 HIS HD1 H 4.863 -0.209 -7.059 1.00 . A A . 22 HIS HD1 1 1 7 2526 1 1 22 HIS HD2 H 2.500 0.237 -3.658 1.00 . A A . 22 HIS HD2 1 1 7 2527 1 1 22 HIS HE1 H 2.502 -0.605 -7.822 1.00 . A A . 22 HIS HE1 1 1 7 2528 1 1 22 HIS HE2 H 1.087 -0.264 -5.767 1.00 . A A . 22 HIS HE2 1 1 7 2529 1 1 22 HIS N N 5.920 1.598 -2.307 1.00 . A A . 22 HIS N 1 1 7 2530 1 1 22 HIS ND1 N 4.091 -0.168 -6.458 1.00 . A A . 22 HIS ND1 1 1 7 2531 1 1 22 HIS NE2 N 2.067 -0.236 -5.761 1.00 . A A . 22 HIS NE2 1 1 7 2532 1 1 22 HIS O O 3.569 2.647 -4.837 1.00 . A A . 22 HIS O 1 1 7 2533 1 1 23 CYS C C 2.356 4.661 -1.479 1.00 . A A . 23 CYS C 1 1 7 2534 1 1 23 CYS CA C 2.350 3.566 -2.543 1.00 . A A . 23 CYS CA 1 1 7 2535 1 1 23 CYS CB C 1.285 2.525 -2.209 1.00 . A A . 23 CYS CB 1 1 7 2536 1 1 23 CYS H H 4.122 2.736 -1.782 1.00 . A A . 23 CYS H 1 1 7 2537 1 1 23 CYS HA H 2.137 4.000 -3.506 1.00 . A A . 23 CYS HA 1 1 7 2538 1 1 23 CYS HB2 H 1.758 1.706 -1.688 1.00 . A A . 23 CYS HB2 1 1 7 2539 1 1 23 CYS HB3 H 0.551 2.969 -1.562 1.00 . A A . 23 CYS HB3 1 1 7 2540 1 1 23 CYS N N 3.635 2.901 -2.609 1.00 . A A . 23 CYS N 1 1 7 2541 1 1 23 CYS O O 1.337 4.928 -0.842 1.00 . A A . 23 CYS O 1 1 7 2542 1 1 23 CYS SG S 0.421 1.819 -3.655 1.00 . A A . 23 CYS SG 1 1 7 2543 1 1 24 ALA C C 2.686 7.505 -0.600 1.00 . A A . 24 ALA C 1 1 7 2544 1 1 24 ALA CA C 3.649 6.358 -0.308 1.00 . A A . 24 ALA CA 1 1 7 2545 1 1 24 ALA CB C 5.082 6.866 -0.279 1.00 . A A . 24 ALA CB 1 1 7 2546 1 1 24 ALA H H 4.287 5.036 -1.833 1.00 . A A . 24 ALA H 1 1 7 2547 1 1 24 ALA HA H 3.418 5.946 0.663 1.00 . A A . 24 ALA HA 1 1 7 2548 1 1 24 ALA HB1 H 5.330 7.302 -1.236 1.00 . A A . 24 ALA HB1 1 1 7 2549 1 1 24 ALA HB2 H 5.752 6.043 -0.076 1.00 . A A . 24 ALA HB2 1 1 7 2550 1 1 24 ALA HB3 H 5.185 7.612 0.495 1.00 . A A . 24 ALA HB3 1 1 7 2551 1 1 24 ALA N N 3.509 5.292 -1.294 1.00 . A A . 24 ALA N 1 1 7 2552 1 1 24 ALA O O 2.304 7.731 -1.748 1.00 . A A . 24 ALA O 1 1 7 2553 1 1 25 LYS C C 1.977 10.619 0.898 1.00 . A A . 25 LYS C 1 1 7 2554 1 1 25 LYS CA C 1.379 9.348 0.304 1.00 . A A . 25 LYS CA 1 1 7 2555 1 1 25 LYS CB C 0.045 9.033 0.982 1.00 . A A . 25 LYS CB 1 1 7 2556 1 1 25 LYS CD C -1.004 11.035 2.081 1.00 . A A . 25 LYS CD 1 1 7 2557 1 1 25 LYS CE C -1.617 10.322 3.274 1.00 . A A . 25 LYS CE 1 1 7 2558 1 1 25 LYS CG C -0.983 10.145 0.849 1.00 . A A . 25 LYS CG 1 1 7 2559 1 1 25 LYS H H 2.637 7.995 1.337 1.00 . A A . 25 LYS H 1 1 7 2560 1 1 25 LYS HA H 1.208 9.504 -0.751 1.00 . A A . 25 LYS HA 1 1 7 2561 1 1 25 LYS HB2 H -0.366 8.137 0.544 1.00 . A A . 25 LYS HB2 1 1 7 2562 1 1 25 LYS HB3 H 0.222 8.860 2.034 1.00 . A A . 25 LYS HB3 1 1 7 2563 1 1 25 LYS HD2 H 0.008 11.319 2.325 1.00 . A A . 25 LYS HD2 1 1 7 2564 1 1 25 LYS HD3 H -1.585 11.920 1.863 1.00 . A A . 25 LYS HD3 1 1 7 2565 1 1 25 LYS HE2 H -1.297 9.291 3.265 1.00 . A A . 25 LYS HE2 1 1 7 2566 1 1 25 LYS HE3 H -1.270 10.798 4.180 1.00 . A A . 25 LYS HE3 1 1 7 2567 1 1 25 LYS HG2 H -0.739 10.746 -0.013 1.00 . A A . 25 LYS HG2 1 1 7 2568 1 1 25 LYS HG3 H -1.961 9.704 0.718 1.00 . A A . 25 LYS HG3 1 1 7 2569 1 1 25 LYS HZ1 H -3.498 9.538 3.736 1.00 . A A . 25 LYS HZ1 1 1 7 2570 1 1 25 LYS HZ2 H -3.443 10.362 2.260 1.00 . A A . 25 LYS HZ2 1 1 7 2571 1 1 25 LYS HZ3 H -3.448 11.230 3.712 1.00 . A A . 25 LYS HZ3 1 1 7 2572 1 1 25 LYS N N 2.297 8.224 0.447 1.00 . A A . 25 LYS N 1 1 7 2573 1 1 25 LYS NZ N -3.106 10.366 3.243 1.00 . A A . 25 LYS NZ 1 1 7 2574 1 1 25 LYS O O 2.975 10.512 1.640 1.00 . A A . 25 LYS O 1 1 7 2575 1 1 25 LYS OXT O 1.443 11.713 0.615 1.00 . A A . 25 LYS OXT 1 1 7 2576 2 2 1 ZN ZN ZN -0.200 -0.301 -2.949 1.00 . B A . 26 ZN ZN 1 1 8 2577 1 1 1 ARG C C -2.605 -0.675 6.357 1.00 . A A . 1 ARG C 1 1 8 2578 1 1 1 ARG CA C -2.636 -0.639 7.881 1.00 . A A . 1 ARG CA 1 1 8 2579 1 1 1 ARG CB C -3.927 0.021 8.368 1.00 . A A . 1 ARG CB 1 1 8 2580 1 1 1 ARG CD C -5.096 -1.294 10.162 1.00 . A A . 1 ARG CD 1 1 8 2581 1 1 1 ARG CG C -5.038 -0.969 8.678 1.00 . A A . 1 ARG CG 1 1 8 2582 1 1 1 ARG CZ C -4.313 -3.626 10.306 1.00 . A A . 1 ARG CZ 1 1 8 2583 1 1 1 ARG H1 H -1.554 1.099 8.076 1.00 . A A . 1 ARG H1 1 1 8 2584 1 1 1 ARG H2 H -0.611 -0.335 8.082 1.00 . A A . 1 ARG H2 1 1 8 2585 1 1 1 ARG H3 H -1.540 0.090 9.462 1.00 . A A . 1 ARG H3 1 1 8 2586 1 1 1 ARG HA H -2.590 -1.650 8.259 1.00 . A A . 1 ARG HA 1 1 8 2587 1 1 1 ARG HB2 H -3.714 0.585 9.265 1.00 . A A . 1 ARG HB2 1 1 8 2588 1 1 1 ARG HB3 H -4.281 0.699 7.604 1.00 . A A . 1 ARG HB3 1 1 8 2589 1 1 1 ARG HD2 H -4.880 -0.396 10.723 1.00 . A A . 1 ARG HD2 1 1 8 2590 1 1 1 ARG HD3 H -6.091 -1.638 10.404 1.00 . A A . 1 ARG HD3 1 1 8 2591 1 1 1 ARG HE H -3.307 -2.038 10.977 1.00 . A A . 1 ARG HE 1 1 8 2592 1 1 1 ARG HG2 H -5.983 -0.542 8.376 1.00 . A A . 1 ARG HG2 1 1 8 2593 1 1 1 ARG HG3 H -4.859 -1.879 8.126 1.00 . A A . 1 ARG HG3 1 1 8 2594 1 1 1 ARG HH11 H -6.121 -3.401 9.426 1.00 . A A . 1 ARG HH11 1 1 8 2595 1 1 1 ARG HH12 H -5.548 -5.031 9.538 1.00 . A A . 1 ARG HH12 1 1 8 2596 1 1 1 ARG HH21 H -2.553 -4.183 11.128 1.00 . A A . 1 ARG HH21 1 1 8 2597 1 1 1 ARG HH22 H -3.524 -5.475 10.505 1.00 . A A . 1 ARG HH22 1 1 8 2598 1 1 1 ARG N N -1.481 0.123 8.425 1.00 . A A . 1 ARG N 1 1 8 2599 1 1 1 ARG NE N -4.133 -2.327 10.535 1.00 . A A . 1 ARG NE 1 1 8 2600 1 1 1 ARG NH1 N -5.418 -4.054 9.708 1.00 . A A . 1 ARG NH1 1 1 8 2601 1 1 1 ARG NH2 N -3.388 -4.499 10.677 1.00 . A A . 1 ARG NH2 1 1 8 2602 1 1 1 ARG O O -2.786 0.349 5.698 1.00 . A A . 1 ARG O 1 1 8 2603 1 1 2 VAL C C -3.689 -2.405 3.795 1.00 . A A . 2 VAL C 1 1 8 2604 1 1 2 VAL CA C -2.319 -2.029 4.356 1.00 . A A . 2 VAL CA 1 1 8 2605 1 1 2 VAL CB C -1.290 -3.107 3.955 1.00 . A A . 2 VAL CB 1 1 8 2606 1 1 2 VAL CG1 C -1.681 -4.463 4.524 1.00 . A A . 2 VAL CG1 1 1 8 2607 1 1 2 VAL CG2 C -1.146 -3.173 2.440 1.00 . A A . 2 VAL CG2 1 1 8 2608 1 1 2 VAL H H -2.237 -2.640 6.380 1.00 . A A . 2 VAL H 1 1 8 2609 1 1 2 VAL HA H -2.011 -1.089 3.923 1.00 . A A . 2 VAL HA 1 1 8 2610 1 1 2 VAL HB H -0.333 -2.831 4.373 1.00 . A A . 2 VAL HB 1 1 8 2611 1 1 2 VAL HG11 H -2.388 -4.326 5.328 1.00 . A A . 2 VAL HG11 1 1 8 2612 1 1 2 VAL HG12 H -0.801 -4.963 4.899 1.00 . A A . 2 VAL HG12 1 1 8 2613 1 1 2 VAL HG13 H -2.132 -5.063 3.746 1.00 . A A . 2 VAL HG13 1 1 8 2614 1 1 2 VAL HG21 H -1.975 -2.662 1.976 1.00 . A A . 2 VAL HG21 1 1 8 2615 1 1 2 VAL HG22 H -1.137 -4.206 2.125 1.00 . A A . 2 VAL HG22 1 1 8 2616 1 1 2 VAL HG23 H -0.220 -2.700 2.147 1.00 . A A . 2 VAL HG23 1 1 8 2617 1 1 2 VAL N N -2.374 -1.860 5.803 1.00 . A A . 2 VAL N 1 1 8 2618 1 1 2 VAL O O -3.820 -3.360 3.030 1.00 . A A . 2 VAL O 1 1 8 2619 1 1 3 ILE C C -6.634 -0.675 2.995 1.00 . A A . 3 ILE C 1 1 8 2620 1 1 3 ILE CA C -6.068 -1.894 3.718 1.00 . A A . 3 ILE CA 1 1 8 2621 1 1 3 ILE CB C -6.998 -2.275 4.890 1.00 . A A . 3 ILE CB 1 1 8 2622 1 1 3 ILE CD1 C -8.966 -3.870 5.139 1.00 . A A . 3 ILE CD1 1 1 8 2623 1 1 3 ILE CG1 C -8.365 -2.717 4.364 1.00 . A A . 3 ILE CG1 1 1 8 2624 1 1 3 ILE CG2 C -7.146 -1.109 5.856 1.00 . A A . 3 ILE CG2 1 1 8 2625 1 1 3 ILE H H -4.542 -0.896 4.793 1.00 . A A . 3 ILE H 1 1 8 2626 1 1 3 ILE HA H -6.036 -2.725 3.028 1.00 . A A . 3 ILE HA 1 1 8 2627 1 1 3 ILE HB H -6.546 -3.096 5.425 1.00 . A A . 3 ILE HB 1 1 8 2628 1 1 3 ILE HD11 H -9.833 -3.526 5.682 1.00 . A A . 3 ILE HD11 1 1 8 2629 1 1 3 ILE HD12 H -8.235 -4.257 5.833 1.00 . A A . 3 ILE HD12 1 1 8 2630 1 1 3 ILE HD13 H -9.259 -4.651 4.452 1.00 . A A . 3 ILE HD13 1 1 8 2631 1 1 3 ILE HG12 H -9.053 -1.886 4.424 1.00 . A A . 3 ILE HG12 1 1 8 2632 1 1 3 ILE HG13 H -8.266 -3.024 3.333 1.00 . A A . 3 ILE HG13 1 1 8 2633 1 1 3 ILE HG21 H -6.250 -0.505 5.833 1.00 . A A . 3 ILE HG21 1 1 8 2634 1 1 3 ILE HG22 H -7.298 -1.488 6.857 1.00 . A A . 3 ILE HG22 1 1 8 2635 1 1 3 ILE HG23 H -7.994 -0.506 5.567 1.00 . A A . 3 ILE HG23 1 1 8 2636 1 1 3 ILE N N -4.708 -1.645 4.182 1.00 . A A . 3 ILE N 1 1 8 2637 1 1 3 ILE O O -7.844 -0.445 2.993 1.00 . A A . 3 ILE O 1 1 8 2638 1 1 4 ALA C C -5.931 1.142 0.157 1.00 . A A . 4 ALA C 1 1 8 2639 1 1 4 ALA CA C -6.160 1.302 1.657 1.00 . A A . 4 ALA CA 1 1 8 2640 1 1 4 ALA CB C -5.411 2.518 2.179 1.00 . A A . 4 ALA CB 1 1 8 2641 1 1 4 ALA H H -4.799 -0.127 2.420 1.00 . A A . 4 ALA H 1 1 8 2642 1 1 4 ALA HA H -7.216 1.455 1.835 1.00 . A A . 4 ALA HA 1 1 8 2643 1 1 4 ALA HB1 H -5.966 2.961 2.993 1.00 . A A . 4 ALA HB1 1 1 8 2644 1 1 4 ALA HB2 H -5.300 3.242 1.384 1.00 . A A . 4 ALA HB2 1 1 8 2645 1 1 4 ALA HB3 H -4.435 2.217 2.530 1.00 . A A . 4 ALA HB3 1 1 8 2646 1 1 4 ALA N N -5.750 0.106 2.383 1.00 . A A . 4 ALA N 1 1 8 2647 1 1 4 ALA O O -6.657 1.715 -0.656 1.00 . A A . 4 ALA O 1 1 8 2648 1 1 5 CYS C C -5.782 -0.486 -2.344 1.00 . A A . 5 CYS C 1 1 8 2649 1 1 5 CYS CA C -4.595 0.125 -1.605 1.00 . A A . 5 CYS CA 1 1 8 2650 1 1 5 CYS CB C -3.378 -0.794 -1.723 1.00 . A A . 5 CYS CB 1 1 8 2651 1 1 5 CYS H H -4.375 -0.070 0.491 1.00 . A A . 5 CYS H 1 1 8 2652 1 1 5 CYS HA H -4.359 1.078 -2.055 1.00 . A A . 5 CYS HA 1 1 8 2653 1 1 5 CYS HB2 H -2.667 -0.540 -0.951 1.00 . A A . 5 CYS HB2 1 1 8 2654 1 1 5 CYS HB3 H -3.696 -1.818 -1.589 1.00 . A A . 5 CYS HB3 1 1 8 2655 1 1 5 CYS N N -4.919 0.360 -0.203 1.00 . A A . 5 CYS N 1 1 8 2656 1 1 5 CYS O O -6.708 -1.011 -1.726 1.00 . A A . 5 CYS O 1 1 8 2657 1 1 5 CYS SG S -2.517 -0.686 -3.326 1.00 . A A . 5 CYS SG 1 1 8 2658 1 1 6 PHE C C -6.260 -1.870 -5.584 1.00 . A A . 6 PHE C 1 1 8 2659 1 1 6 PHE CA C -6.819 -0.959 -4.495 1.00 . A A . 6 PHE CA 1 1 8 2660 1 1 6 PHE CB C -7.631 0.172 -5.128 1.00 . A A . 6 PHE CB 1 1 8 2661 1 1 6 PHE CD1 C -5.824 1.859 -5.564 1.00 . A A . 6 PHE CD1 1 1 8 2662 1 1 6 PHE CD2 C -7.078 1.036 -7.419 1.00 . A A . 6 PHE CD2 1 1 8 2663 1 1 6 PHE CE1 C -5.084 2.658 -6.416 1.00 . A A . 6 PHE CE1 1 1 8 2664 1 1 6 PHE CE2 C -6.342 1.834 -8.274 1.00 . A A . 6 PHE CE2 1 1 8 2665 1 1 6 PHE CG C -6.828 1.040 -6.056 1.00 . A A . 6 PHE CG 1 1 8 2666 1 1 6 PHE CZ C -5.343 2.645 -7.772 1.00 . A A . 6 PHE CZ 1 1 8 2667 1 1 6 PHE H H -4.982 0.017 -4.106 1.00 . A A . 6 PHE H 1 1 8 2668 1 1 6 PHE HA H -7.467 -1.540 -3.855 1.00 . A A . 6 PHE HA 1 1 8 2669 1 1 6 PHE HB2 H -8.447 -0.251 -5.693 1.00 . A A . 6 PHE HB2 1 1 8 2670 1 1 6 PHE HB3 H -8.030 0.801 -4.345 1.00 . A A . 6 PHE HB3 1 1 8 2671 1 1 6 PHE HD1 H -5.620 1.869 -4.503 1.00 . A A . 6 PHE HD1 1 1 8 2672 1 1 6 PHE HD2 H -7.859 0.403 -7.812 1.00 . A A . 6 PHE HD2 1 1 8 2673 1 1 6 PHE HE1 H -4.304 3.291 -6.019 1.00 . A A . 6 PHE HE1 1 1 8 2674 1 1 6 PHE HE2 H -6.546 1.821 -9.334 1.00 . A A . 6 PHE HE2 1 1 8 2675 1 1 6 PHE HZ H -4.766 3.268 -8.439 1.00 . A A . 6 PHE HZ 1 1 8 2676 1 1 6 PHE N N -5.747 -0.414 -3.671 1.00 . A A . 6 PHE N 1 1 8 2677 1 1 6 PHE O O -6.820 -1.965 -6.676 1.00 . A A . 6 PHE O 1 1 8 2678 1 1 7 LEU C C -4.481 -4.864 -5.690 1.00 . A A . 7 LEU C 1 1 8 2679 1 1 7 LEU CA C -4.514 -3.439 -6.232 1.00 . A A . 7 LEU CA 1 1 8 2680 1 1 7 LEU CB C -3.094 -2.966 -6.544 1.00 . A A . 7 LEU CB 1 1 8 2681 1 1 7 LEU CD1 C -1.646 -1.224 -7.618 1.00 . A A . 7 LEU CD1 1 1 8 2682 1 1 7 LEU CD2 C -3.183 -2.609 -9.024 1.00 . A A . 7 LEU CD2 1 1 8 2683 1 1 7 LEU CG C -2.988 -1.938 -7.672 1.00 . A A . 7 LEU CG 1 1 8 2684 1 1 7 LEU H H -4.751 -2.418 -4.392 1.00 . A A . 7 LEU H 1 1 8 2685 1 1 7 LEU HA H -5.097 -3.426 -7.141 1.00 . A A . 7 LEU HA 1 1 8 2686 1 1 7 LEU HB2 H -2.677 -2.530 -5.648 1.00 . A A . 7 LEU HB2 1 1 8 2687 1 1 7 LEU HB3 H -2.502 -3.826 -6.816 1.00 . A A . 7 LEU HB3 1 1 8 2688 1 1 7 LEU HD11 H -1.299 -1.185 -6.596 1.00 . A A . 7 LEU HD11 1 1 8 2689 1 1 7 LEU HD12 H -1.757 -0.220 -8.000 1.00 . A A . 7 LEU HD12 1 1 8 2690 1 1 7 LEU HD13 H -0.928 -1.760 -8.221 1.00 . A A . 7 LEU HD13 1 1 8 2691 1 1 7 LEU HD21 H -2.220 -2.877 -9.435 1.00 . A A . 7 LEU HD21 1 1 8 2692 1 1 7 LEU HD22 H -3.684 -1.927 -9.695 1.00 . A A . 7 LEU HD22 1 1 8 2693 1 1 7 LEU HD23 H -3.782 -3.498 -8.900 1.00 . A A . 7 LEU HD23 1 1 8 2694 1 1 7 LEU HG H -3.764 -1.197 -7.549 1.00 . A A . 7 LEU HG 1 1 8 2695 1 1 7 LEU N N -5.150 -2.536 -5.279 1.00 . A A . 7 LEU N 1 1 8 2696 1 1 7 LEU O O -4.503 -5.080 -4.479 1.00 . A A . 7 LEU O 1 1 8 2697 1 1 8 LYS C C -3.052 -7.592 -5.563 1.00 . A A . 8 LYS C 1 1 8 2698 1 1 8 LYS CA C -4.389 -7.240 -6.210 1.00 . A A . 8 LYS CA 1 1 8 2699 1 1 8 LYS CB C -4.629 -8.133 -7.429 1.00 . A A . 8 LYS CB 1 1 8 2700 1 1 8 LYS CD C -6.899 -9.201 -7.600 1.00 . A A . 8 LYS CD 1 1 8 2701 1 1 8 LYS CE C -7.596 -8.058 -6.880 1.00 . A A . 8 LYS CE 1 1 8 2702 1 1 8 LYS CG C -5.464 -9.366 -7.125 1.00 . A A . 8 LYS CG 1 1 8 2703 1 1 8 LYS H H -4.411 -5.600 -7.548 1.00 . A A . 8 LYS H 1 1 8 2704 1 1 8 LYS HA H -5.177 -7.408 -5.492 1.00 . A A . 8 LYS HA 1 1 8 2705 1 1 8 LYS HB2 H -5.138 -7.557 -8.188 1.00 . A A . 8 LYS HB2 1 1 8 2706 1 1 8 LYS HB3 H -3.674 -8.458 -7.817 1.00 . A A . 8 LYS HB3 1 1 8 2707 1 1 8 LYS HD2 H -6.895 -8.996 -8.660 1.00 . A A . 8 LYS HD2 1 1 8 2708 1 1 8 LYS HD3 H -7.439 -10.117 -7.410 1.00 . A A . 8 LYS HD3 1 1 8 2709 1 1 8 LYS HE2 H -8.078 -8.447 -5.995 1.00 . A A . 8 LYS HE2 1 1 8 2710 1 1 8 LYS HE3 H -6.856 -7.326 -6.593 1.00 . A A . 8 LYS HE3 1 1 8 2711 1 1 8 LYS HG2 H -5.027 -10.218 -7.624 1.00 . A A . 8 LYS HG2 1 1 8 2712 1 1 8 LYS HG3 H -5.465 -9.534 -6.058 1.00 . A A . 8 LYS HG3 1 1 8 2713 1 1 8 LYS HZ1 H -8.157 -6.798 -8.448 1.00 . A A . 8 LYS HZ1 1 1 8 2714 1 1 8 LYS HZ2 H -9.251 -6.815 -7.158 1.00 . A A . 8 LYS HZ2 1 1 8 2715 1 1 8 LYS HZ3 H -9.188 -8.122 -8.230 1.00 . A A . 8 LYS HZ3 1 1 8 2716 1 1 8 LYS N N -4.426 -5.835 -6.597 1.00 . A A . 8 LYS N 1 1 8 2717 1 1 8 LYS NZ N -8.619 -7.402 -7.739 1.00 . A A . 8 LYS NZ 1 1 8 2718 1 1 8 LYS O O -3.002 -8.013 -4.408 1.00 . A A . 8 LYS O 1 1 8 2719 1 1 9 VAL C C -0.034 -6.501 -5.105 1.00 . A A . 9 VAL C 1 1 8 2720 1 1 9 VAL CA C -0.635 -7.711 -5.816 1.00 . A A . 9 VAL CA 1 1 8 2721 1 1 9 VAL CB C 0.304 -8.154 -6.956 1.00 . A A . 9 VAL CB 1 1 8 2722 1 1 9 VAL CG1 C 0.475 -7.038 -7.977 1.00 . A A . 9 VAL CG1 1 1 8 2723 1 1 9 VAL CG2 C 1.653 -8.591 -6.401 1.00 . A A . 9 VAL CG2 1 1 8 2724 1 1 9 VAL H H -2.075 -7.074 -7.230 1.00 . A A . 9 VAL H 1 1 8 2725 1 1 9 VAL HA H -0.717 -8.525 -5.110 1.00 . A A . 9 VAL HA 1 1 8 2726 1 1 9 VAL HB H -0.145 -9.000 -7.455 1.00 . A A . 9 VAL HB 1 1 8 2727 1 1 9 VAL HG11 H -0.336 -6.333 -7.878 1.00 . A A . 9 VAL HG11 1 1 8 2728 1 1 9 VAL HG12 H 0.466 -7.458 -8.972 1.00 . A A . 9 VAL HG12 1 1 8 2729 1 1 9 VAL HG13 H 1.414 -6.535 -7.807 1.00 . A A . 9 VAL HG13 1 1 8 2730 1 1 9 VAL HG21 H 2.441 -8.238 -7.048 1.00 . A A . 9 VAL HG21 1 1 8 2731 1 1 9 VAL HG22 H 1.687 -9.669 -6.346 1.00 . A A . 9 VAL HG22 1 1 8 2732 1 1 9 VAL HG23 H 1.787 -8.177 -5.412 1.00 . A A . 9 VAL HG23 1 1 8 2733 1 1 9 VAL N N -1.971 -7.414 -6.316 1.00 . A A . 9 VAL N 1 1 8 2734 1 1 9 VAL O O 1.065 -6.052 -5.437 1.00 . A A . 9 VAL O 1 1 8 2735 1 1 10 CYS C C -1.079 -4.681 -2.061 1.00 . A A . 10 CYS C 1 1 8 2736 1 1 10 CYS CA C -0.303 -4.818 -3.367 1.00 . A A . 10 CYS CA 1 1 8 2737 1 1 10 CYS CB C -0.454 -3.544 -4.200 1.00 . A A . 10 CYS CB 1 1 8 2738 1 1 10 CYS H H -1.629 -6.377 -3.906 1.00 . A A . 10 CYS H 1 1 8 2739 1 1 10 CYS HA H 0.743 -4.965 -3.138 1.00 . A A . 10 CYS HA 1 1 8 2740 1 1 10 CYS HB2 H -0.388 -3.798 -5.248 1.00 . A A . 10 CYS HB2 1 1 8 2741 1 1 10 CYS HB3 H -1.422 -3.106 -4.001 1.00 . A A . 10 CYS HB3 1 1 8 2742 1 1 10 CYS N N -0.762 -5.976 -4.125 1.00 . A A . 10 CYS N 1 1 8 2743 1 1 10 CYS O O -0.489 -4.592 -0.984 1.00 . A A . 10 CYS O 1 1 8 2744 1 1 10 CYS SG S 0.810 -2.276 -3.858 1.00 . A A . 10 CYS SG 1 1 8 2745 1 1 11 ALA C C -3.312 -5.845 -0.208 1.00 . A A . 11 ALA C 1 1 8 2746 1 1 11 ALA CA C -3.260 -4.539 -0.992 1.00 . A A . 11 ALA CA 1 1 8 2747 1 1 11 ALA CB C -4.661 -4.114 -1.407 1.00 . A A . 11 ALA CB 1 1 8 2748 1 1 11 ALA H H -2.814 -4.739 -3.051 1.00 . A A . 11 ALA H 1 1 8 2749 1 1 11 ALA HA H -2.847 -3.766 -0.359 1.00 . A A . 11 ALA HA 1 1 8 2750 1 1 11 ALA HB1 H -5.077 -3.462 -0.653 1.00 . A A . 11 ALA HB1 1 1 8 2751 1 1 11 ALA HB2 H -5.286 -4.988 -1.512 1.00 . A A . 11 ALA HB2 1 1 8 2752 1 1 11 ALA HB3 H -4.614 -3.588 -2.350 1.00 . A A . 11 ALA HB3 1 1 8 2753 1 1 11 ALA N N -2.403 -4.665 -2.165 1.00 . A A . 11 ALA N 1 1 8 2754 1 1 11 ALA O O -2.943 -5.891 0.965 1.00 . A A . 11 ALA O 1 1 8 2755 1 1 12 ALA C C -2.564 -8.993 -0.320 1.00 . A A . 12 ALA C 1 1 8 2756 1 1 12 ALA CA C -3.879 -8.216 -0.231 1.00 . A A . 12 ALA CA 1 1 8 2757 1 1 12 ALA CB C -5.007 -9.016 -0.862 1.00 . A A . 12 ALA CB 1 1 8 2758 1 1 12 ALA H H -4.054 -6.803 -1.797 1.00 . A A . 12 ALA H 1 1 8 2759 1 1 12 ALA HA H -4.120 -8.062 0.811 1.00 . A A . 12 ALA HA 1 1 8 2760 1 1 12 ALA HB1 H -5.427 -9.688 -0.129 1.00 . A A . 12 ALA HB1 1 1 8 2761 1 1 12 ALA HB2 H -4.623 -9.587 -1.695 1.00 . A A . 12 ALA HB2 1 1 8 2762 1 1 12 ALA HB3 H -5.774 -8.341 -1.212 1.00 . A A . 12 ALA HB3 1 1 8 2763 1 1 12 ALA N N -3.775 -6.905 -0.864 1.00 . A A . 12 ALA N 1 1 8 2764 1 1 12 ALA O O -2.570 -10.216 -0.463 1.00 . A A . 12 ALA O 1 1 8 2765 1 1 13 ALA C C 0.425 -9.220 1.082 1.00 . A A . 13 ALA C 1 1 8 2766 1 1 13 ALA CA C -0.132 -8.921 -0.309 1.00 . A A . 13 ALA CA 1 1 8 2767 1 1 13 ALA CB C 0.836 -8.042 -1.088 1.00 . A A . 13 ALA CB 1 1 8 2768 1 1 13 ALA H H -1.494 -7.315 -0.123 1.00 . A A . 13 ALA H 1 1 8 2769 1 1 13 ALA HA H -0.245 -9.851 -0.846 1.00 . A A . 13 ALA HA 1 1 8 2770 1 1 13 ALA HB1 H 0.295 -7.497 -1.847 1.00 . A A . 13 ALA HB1 1 1 8 2771 1 1 13 ALA HB2 H 1.587 -8.662 -1.556 1.00 . A A . 13 ALA HB2 1 1 8 2772 1 1 13 ALA HB3 H 1.311 -7.346 -0.414 1.00 . A A . 13 ALA HB3 1 1 8 2773 1 1 13 ALA N N -1.442 -8.285 -0.237 1.00 . A A . 13 ALA N 1 1 8 2774 1 1 13 ALA O O 1.524 -9.759 1.214 1.00 . A A . 13 ALA O 1 1 8 2775 1 1 14 ALA C C 1.422 -8.415 3.782 1.00 . A A . 14 ALA C 1 1 8 2776 1 1 14 ALA CA C 0.093 -9.104 3.491 1.00 . A A . 14 ALA CA 1 1 8 2777 1 1 14 ALA CB C 0.202 -10.597 3.761 1.00 . A A . 14 ALA CB 1 1 8 2778 1 1 14 ALA H H -1.200 -8.441 1.955 1.00 . A A . 14 ALA H 1 1 8 2779 1 1 14 ALA HA H -0.662 -8.697 4.149 1.00 . A A . 14 ALA HA 1 1 8 2780 1 1 14 ALA HB1 H -0.789 -11.027 3.813 1.00 . A A . 14 ALA HB1 1 1 8 2781 1 1 14 ALA HB2 H 0.714 -10.758 4.698 1.00 . A A . 14 ALA HB2 1 1 8 2782 1 1 14 ALA HB3 H 0.756 -11.068 2.962 1.00 . A A . 14 ALA HB3 1 1 8 2783 1 1 14 ALA N N -0.334 -8.869 2.118 1.00 . A A . 14 ALA N 1 1 8 2784 1 1 14 ALA O O 2.217 -8.892 4.591 1.00 . A A . 14 ALA O 1 1 8 2785 1 1 15 ASN C C 2.620 -5.034 3.267 1.00 . A A . 15 ASN C 1 1 8 2786 1 1 15 ASN CA C 2.891 -6.534 3.301 1.00 . A A . 15 ASN CA 1 1 8 2787 1 1 15 ASN CB C 3.910 -6.906 2.223 1.00 . A A . 15 ASN CB 1 1 8 2788 1 1 15 ASN CG C 5.322 -6.990 2.767 1.00 . A A . 15 ASN CG 1 1 8 2789 1 1 15 ASN H H 0.985 -6.958 2.483 1.00 . A A . 15 ASN H 1 1 8 2790 1 1 15 ASN HA H 3.294 -6.792 4.270 1.00 . A A . 15 ASN HA 1 1 8 2791 1 1 15 ASN HB2 H 3.647 -7.867 1.805 1.00 . A A . 15 ASN HB2 1 1 8 2792 1 1 15 ASN HB3 H 3.887 -6.161 1.442 1.00 . A A . 15 ASN HB3 1 1 8 2793 1 1 15 ASN HD21 H 5.035 -5.339 3.836 1.00 . A A . 15 ASN HD21 1 1 8 2794 1 1 15 ASN HD22 H 6.596 -6.065 3.980 1.00 . A A . 15 ASN HD22 1 1 8 2795 1 1 15 ASN N N 1.657 -7.289 3.115 1.00 . A A . 15 ASN N 1 1 8 2796 1 1 15 ASN ND2 N 5.688 -6.035 3.613 1.00 . A A . 15 ASN ND2 1 1 8 2797 1 1 15 ASN O O 2.326 -4.469 2.212 1.00 . A A . 15 ASN O 1 1 8 2798 1 1 15 ASN OD1 O 6.076 -7.903 2.430 1.00 . A A . 15 ASN OD1 1 1 8 2799 1 1 16 VAL C C 3.673 -2.166 3.986 1.00 . A A . 16 VAL C 1 1 8 2800 1 1 16 VAL CA C 2.488 -2.957 4.528 1.00 . A A . 16 VAL CA 1 1 8 2801 1 1 16 VAL CB C 2.226 -2.532 5.986 1.00 . A A . 16 VAL CB 1 1 8 2802 1 1 16 VAL CG1 C 1.787 -1.077 6.048 1.00 . A A . 16 VAL CG1 1 1 8 2803 1 1 16 VAL CG2 C 1.188 -3.438 6.629 1.00 . A A . 16 VAL CG2 1 1 8 2804 1 1 16 VAL H H 2.959 -4.896 5.233 1.00 . A A . 16 VAL H 1 1 8 2805 1 1 16 VAL HA H 1.611 -2.719 3.943 1.00 . A A . 16 VAL HA 1 1 8 2806 1 1 16 VAL HB H 3.150 -2.629 6.539 1.00 . A A . 16 VAL HB 1 1 8 2807 1 1 16 VAL HG11 H 0.987 -0.912 5.343 1.00 . A A . 16 VAL HG11 1 1 8 2808 1 1 16 VAL HG12 H 2.623 -0.438 5.801 1.00 . A A . 16 VAL HG12 1 1 8 2809 1 1 16 VAL HG13 H 1.442 -0.848 7.046 1.00 . A A . 16 VAL HG13 1 1 8 2810 1 1 16 VAL HG21 H 0.600 -2.869 7.333 1.00 . A A . 16 VAL HG21 1 1 8 2811 1 1 16 VAL HG22 H 1.685 -4.246 7.145 1.00 . A A . 16 VAL HG22 1 1 8 2812 1 1 16 VAL HG23 H 0.541 -3.843 5.864 1.00 . A A . 16 VAL HG23 1 1 8 2813 1 1 16 VAL N N 2.721 -4.392 4.426 1.00 . A A . 16 VAL N 1 1 8 2814 1 1 16 VAL O O 3.504 -1.240 3.193 1.00 . A A . 16 VAL O 1 1 8 2815 1 1 17 ALA C C 6.265 -1.988 2.467 1.00 . A A . 17 ALA C 1 1 8 2816 1 1 17 ALA CA C 6.087 -1.864 3.976 1.00 . A A . 17 ALA CA 1 1 8 2817 1 1 17 ALA CB C 7.299 -2.429 4.700 1.00 . A A . 17 ALA CB 1 1 8 2818 1 1 17 ALA H H 4.944 -3.284 5.050 1.00 . A A . 17 ALA H 1 1 8 2819 1 1 17 ALA HA H 5.999 -0.818 4.231 1.00 . A A . 17 ALA HA 1 1 8 2820 1 1 17 ALA HB1 H 7.577 -3.373 4.257 1.00 . A A . 17 ALA HB1 1 1 8 2821 1 1 17 ALA HB2 H 7.058 -2.577 5.743 1.00 . A A . 17 ALA HB2 1 1 8 2822 1 1 17 ALA HB3 H 8.124 -1.735 4.617 1.00 . A A . 17 ALA HB3 1 1 8 2823 1 1 17 ALA N N 4.873 -2.539 4.418 1.00 . A A . 17 ALA N 1 1 8 2824 1 1 17 ALA O O 6.547 -1.005 1.782 1.00 . A A . 17 ALA O 1 1 8 2825 1 1 18 ALA C C 5.281 -2.577 -0.281 1.00 . A A . 18 ALA C 1 1 8 2826 1 1 18 ALA CA C 6.234 -3.454 0.523 1.00 . A A . 18 ALA CA 1 1 8 2827 1 1 18 ALA CB C 5.988 -4.924 0.219 1.00 . A A . 18 ALA CB 1 1 8 2828 1 1 18 ALA H H 5.869 -3.947 2.549 1.00 . A A . 18 ALA H 1 1 8 2829 1 1 18 ALA HA H 7.250 -3.218 0.241 1.00 . A A . 18 ALA HA 1 1 8 2830 1 1 18 ALA HB1 H 6.494 -5.192 -0.697 1.00 . A A . 18 ALA HB1 1 1 8 2831 1 1 18 ALA HB2 H 4.928 -5.096 0.108 1.00 . A A . 18 ALA HB2 1 1 8 2832 1 1 18 ALA HB3 H 6.367 -5.528 1.031 1.00 . A A . 18 ALA HB3 1 1 8 2833 1 1 18 ALA N N 6.095 -3.203 1.953 1.00 . A A . 18 ALA N 1 1 8 2834 1 1 18 ALA O O 5.619 -2.109 -1.368 1.00 . A A . 18 ALA O 1 1 8 2835 1 1 19 HIS C C 3.437 -0.056 -0.288 1.00 . A A . 19 HIS C 1 1 8 2836 1 1 19 HIS CA C 3.084 -1.538 -0.402 1.00 . A A . 19 HIS CA 1 1 8 2837 1 1 19 HIS CB C 1.696 -1.811 0.198 1.00 . A A . 19 HIS CB 1 1 8 2838 1 1 19 HIS CD2 C 0.364 0.211 1.104 1.00 . A A . 19 HIS CD2 1 1 8 2839 1 1 19 HIS CE1 C -0.578 0.781 -0.769 1.00 . A A . 19 HIS CE1 1 1 8 2840 1 1 19 HIS CG C 0.754 -0.645 0.127 1.00 . A A . 19 HIS CG 1 1 8 2841 1 1 19 HIS H H 3.878 -2.761 1.131 1.00 . A A . 19 HIS H 1 1 8 2842 1 1 19 HIS HA H 3.073 -1.811 -1.447 1.00 . A A . 19 HIS HA 1 1 8 2843 1 1 19 HIS HB2 H 1.240 -2.634 -0.331 1.00 . A A . 19 HIS HB2 1 1 8 2844 1 1 19 HIS HB3 H 1.811 -2.081 1.238 1.00 . A A . 19 HIS HB3 1 1 8 2845 1 1 19 HIS HD2 H 0.673 0.196 2.136 1.00 . A A . 19 HIS HD2 1 1 8 2846 1 1 19 HIS HE1 H -1.148 1.329 -1.504 1.00 . A A . 19 HIS HE1 1 1 8 2847 1 1 19 HIS HE2 H -0.788 1.956 0.925 1.00 . A A . 19 HIS HE2 1 1 8 2848 1 1 19 HIS N N 4.088 -2.361 0.261 1.00 . A A . 19 HIS N 1 1 8 2849 1 1 19 HIS ND1 N 0.151 -0.276 -1.050 1.00 . A A . 19 HIS ND1 1 1 8 2850 1 1 19 HIS NE2 N -0.487 1.116 0.524 1.00 . A A . 19 HIS NE2 1 1 8 2851 1 1 19 HIS O O 3.623 0.627 -1.295 1.00 . A A . 19 HIS O 1 1 8 2852 1 1 20 MET C C 5.041 2.304 0.372 1.00 . A A . 20 MET C 1 1 8 2853 1 1 20 MET CA C 3.843 1.840 1.199 1.00 . A A . 20 MET CA 1 1 8 2854 1 1 20 MET CB C 4.124 2.057 2.687 1.00 . A A . 20 MET CB 1 1 8 2855 1 1 20 MET CE C 4.063 5.251 5.262 1.00 . A A . 20 MET CE 1 1 8 2856 1 1 20 MET CG C 3.765 3.451 3.176 1.00 . A A . 20 MET CG 1 1 8 2857 1 1 20 MET H H 3.359 -0.159 1.708 1.00 . A A . 20 MET H 1 1 8 2858 1 1 20 MET HA H 2.982 2.428 0.918 1.00 . A A . 20 MET HA 1 1 8 2859 1 1 20 MET HB2 H 3.553 1.341 3.258 1.00 . A A . 20 MET HB2 1 1 8 2860 1 1 20 MET HB3 H 5.176 1.894 2.871 1.00 . A A . 20 MET HB3 1 1 8 2861 1 1 20 MET HE1 H 3.241 5.760 5.742 1.00 . A A . 20 MET HE1 1 1 8 2862 1 1 20 MET HE2 H 4.283 5.731 4.320 1.00 . A A . 20 MET HE2 1 1 8 2863 1 1 20 MET HE3 H 4.934 5.292 5.900 1.00 . A A . 20 MET HE3 1 1 8 2864 1 1 20 MET HG2 H 4.535 4.139 2.858 1.00 . A A . 20 MET HG2 1 1 8 2865 1 1 20 MET HG3 H 2.823 3.741 2.736 1.00 . A A . 20 MET HG3 1 1 8 2866 1 1 20 MET N N 3.522 0.436 0.945 1.00 . A A . 20 MET N 1 1 8 2867 1 1 20 MET O O 5.017 3.385 -0.216 1.00 . A A . 20 MET O 1 1 8 2868 1 1 20 MET SD S 3.618 3.541 4.971 1.00 . A A . 20 MET SD 1 1 8 2869 1 1 21 THR C C 6.958 2.086 -1.894 1.00 . A A . 21 THR C 1 1 8 2870 1 1 21 THR CA C 7.289 1.821 -0.426 1.00 . A A . 21 THR CA 1 1 8 2871 1 1 21 THR CB C 8.319 0.693 -0.318 1.00 . A A . 21 THR CB 1 1 8 2872 1 1 21 THR CG2 C 7.866 -0.597 -0.968 1.00 . A A . 21 THR CG2 1 1 8 2873 1 1 21 THR H H 6.050 0.635 0.819 1.00 . A A . 21 THR H 1 1 8 2874 1 1 21 THR HA H 7.707 2.719 0.002 1.00 . A A . 21 THR HA 1 1 8 2875 1 1 21 THR HB H 8.505 0.491 0.727 1.00 . A A . 21 THR HB 1 1 8 2876 1 1 21 THR HG1 H 10.175 0.354 -0.843 1.00 . A A . 21 THR HG1 1 1 8 2877 1 1 21 THR HG21 H 7.043 -0.396 -1.636 1.00 . A A . 21 THR HG21 1 1 8 2878 1 1 21 THR HG22 H 7.548 -1.291 -0.203 1.00 . A A . 21 THR HG22 1 1 8 2879 1 1 21 THR HG23 H 8.685 -1.026 -1.525 1.00 . A A . 21 THR HG23 1 1 8 2880 1 1 21 THR N N 6.087 1.485 0.330 1.00 . A A . 21 THR N 1 1 8 2881 1 1 21 THR O O 7.688 2.795 -2.587 1.00 . A A . 21 THR O 1 1 8 2882 1 1 21 THR OG1 O 9.542 1.072 -0.924 1.00 . A A . 21 THR OG1 1 1 8 2883 1 1 22 HIS C C 4.069 2.388 -3.810 1.00 . A A . 22 HIS C 1 1 8 2884 1 1 22 HIS CA C 5.423 1.677 -3.741 1.00 . A A . 22 HIS CA 1 1 8 2885 1 1 22 HIS CB C 5.359 0.300 -4.429 1.00 . A A . 22 HIS CB 1 1 8 2886 1 1 22 HIS CD2 C 2.788 -0.044 -4.723 1.00 . A A . 22 HIS CD2 1 1 8 2887 1 1 22 HIS CE1 C 2.777 -0.479 -6.873 1.00 . A A . 22 HIS CE1 1 1 8 2888 1 1 22 HIS CG C 4.076 0.010 -5.159 1.00 . A A . 22 HIS CG 1 1 8 2889 1 1 22 HIS H H 5.318 0.958 -1.765 1.00 . A A . 22 HIS H 1 1 8 2890 1 1 22 HIS HA H 6.156 2.284 -4.237 1.00 . A A . 22 HIS HA 1 1 8 2891 1 1 22 HIS HB2 H 6.162 0.234 -5.147 1.00 . A A . 22 HIS HB2 1 1 8 2892 1 1 22 HIS HB3 H 5.495 -0.468 -3.682 1.00 . A A . 22 HIS HB3 1 1 8 2893 1 1 22 HIS HD1 H 4.801 -0.306 -7.112 1.00 . A A . 22 HIS HD1 1 1 8 2894 1 1 22 HIS HD2 H 2.439 0.130 -3.708 1.00 . A A . 22 HIS HD2 1 1 8 2895 1 1 22 HIS HE1 H 2.441 -0.717 -7.871 1.00 . A A . 22 HIS HE1 1 1 8 2896 1 1 22 HIS HE2 H 1.027 -0.382 -5.814 1.00 . A A . 22 HIS HE2 1 1 8 2897 1 1 22 HIS N N 5.855 1.510 -2.361 1.00 . A A . 22 HIS N 1 1 8 2898 1 1 22 HIS ND1 N 4.029 -0.269 -6.509 1.00 . A A . 22 HIS ND1 1 1 8 2899 1 1 22 HIS NE2 N 2.006 -0.349 -5.810 1.00 . A A . 22 HIS NE2 1 1 8 2900 1 1 22 HIS O O 3.492 2.545 -4.887 1.00 . A A . 22 HIS O 1 1 8 2901 1 1 23 CYS C C 2.270 4.550 -1.526 1.00 . A A . 23 CYS C 1 1 8 2902 1 1 23 CYS CA C 2.270 3.455 -2.590 1.00 . A A . 23 CYS CA 1 1 8 2903 1 1 23 CYS CB C 1.213 2.407 -2.255 1.00 . A A . 23 CYS CB 1 1 8 2904 1 1 23 CYS H H 4.048 2.635 -1.832 1.00 . A A . 23 CYS H 1 1 8 2905 1 1 23 CYS HA H 2.053 3.888 -3.554 1.00 . A A . 23 CYS HA 1 1 8 2906 1 1 23 CYS HB2 H 1.690 1.592 -1.734 1.00 . A A . 23 CYS HB2 1 1 8 2907 1 1 23 CYS HB3 H 0.476 2.848 -1.606 1.00 . A A . 23 CYS HB3 1 1 8 2908 1 1 23 CYS N N 3.559 2.798 -2.659 1.00 . A A . 23 CYS N 1 1 8 2909 1 1 23 CYS O O 1.243 4.831 -0.910 1.00 . A A . 23 CYS O 1 1 8 2910 1 1 23 CYS SG S 0.350 1.695 -3.698 1.00 . A A . 23 CYS SG 1 1 8 2911 1 1 24 ALA C C 2.643 7.397 -0.653 1.00 . A A . 24 ALA C 1 1 8 2912 1 1 24 ALA CA C 3.564 6.226 -0.328 1.00 . A A . 24 ALA CA 1 1 8 2913 1 1 24 ALA CB C 5.009 6.696 -0.251 1.00 . A A . 24 ALA CB 1 1 8 2914 1 1 24 ALA H H 4.216 4.895 -1.839 1.00 . A A . 24 ALA H 1 1 8 2915 1 1 24 ALA HA H 3.290 5.822 0.636 1.00 . A A . 24 ALA HA 1 1 8 2916 1 1 24 ALA HB1 H 5.427 6.740 -1.246 1.00 . A A . 24 ALA HB1 1 1 8 2917 1 1 24 ALA HB2 H 5.581 6.003 0.348 1.00 . A A . 24 ALA HB2 1 1 8 2918 1 1 24 ALA HB3 H 5.046 7.677 0.199 1.00 . A A . 24 ALA HB3 1 1 8 2919 1 1 24 ALA N N 3.430 5.164 -1.316 1.00 . A A . 24 ALA N 1 1 8 2920 1 1 24 ALA O O 2.028 7.439 -1.719 1.00 . A A . 24 ALA O 1 1 8 2921 1 1 25 LYS C C 2.410 10.569 -0.768 1.00 . A A . 25 LYS C 1 1 8 2922 1 1 25 LYS CA C 1.705 9.519 0.085 1.00 . A A . 25 LYS CA 1 1 8 2923 1 1 25 LYS CB C 1.320 10.118 1.438 1.00 . A A . 25 LYS CB 1 1 8 2924 1 1 25 LYS CD C -1.139 9.943 1.926 1.00 . A A . 25 LYS CD 1 1 8 2925 1 1 25 LYS CE C -2.079 9.661 3.086 1.00 . A A . 25 LYS CE 1 1 8 2926 1 1 25 LYS CG C 0.235 9.338 2.163 1.00 . A A . 25 LYS CG 1 1 8 2927 1 1 25 LYS H H 3.067 8.257 1.102 1.00 . A A . 25 LYS H 1 1 8 2928 1 1 25 LYS HA H 0.808 9.202 -0.426 1.00 . A A . 25 LYS HA 1 1 8 2929 1 1 25 LYS HB2 H 2.197 10.146 2.069 1.00 . A A . 25 LYS HB2 1 1 8 2930 1 1 25 LYS HB3 H 0.966 11.127 1.285 1.00 . A A . 25 LYS HB3 1 1 8 2931 1 1 25 LYS HD2 H -1.035 11.012 1.812 1.00 . A A . 25 LYS HD2 1 1 8 2932 1 1 25 LYS HD3 H -1.556 9.522 1.024 1.00 . A A . 25 LYS HD3 1 1 8 2933 1 1 25 LYS HE2 H -2.494 8.672 2.964 1.00 . A A . 25 LYS HE2 1 1 8 2934 1 1 25 LYS HE3 H -1.517 9.703 4.008 1.00 . A A . 25 LYS HE3 1 1 8 2935 1 1 25 LYS HG2 H 0.235 8.320 1.803 1.00 . A A . 25 LYS HG2 1 1 8 2936 1 1 25 LYS HG3 H 0.446 9.348 3.222 1.00 . A A . 25 LYS HG3 1 1 8 2937 1 1 25 LYS HZ1 H -3.792 10.455 3.980 1.00 . A A . 25 LYS HZ1 1 1 8 2938 1 1 25 LYS HZ2 H -3.776 10.586 2.294 1.00 . A A . 25 LYS HZ2 1 1 8 2939 1 1 25 LYS HZ3 H -2.811 11.612 3.231 1.00 . A A . 25 LYS HZ3 1 1 8 2940 1 1 25 LYS N N 2.552 8.346 0.272 1.00 . A A . 25 LYS N 1 1 8 2941 1 1 25 LYS NZ N -3.192 10.648 3.152 1.00 . A A . 25 LYS NZ 1 1 8 2942 1 1 25 LYS O O 3.324 11.240 -0.243 1.00 . A A . 25 LYS O 1 1 8 2943 1 1 25 LYS OXT O 2.044 10.711 -1.953 1.00 . A A . 25 LYS OXT 1 1 8 2944 2 2 1 ZN ZN ZN -0.255 -0.429 -2.990 1.00 . B A . 26 ZN ZN 1 1 9 2945 1 1 1 ARG C C -2.539 -0.292 6.147 1.00 . A A . 1 ARG C 1 1 9 2946 1 1 1 ARG CA C -2.646 -0.080 7.653 1.00 . A A . 1 ARG CA 1 1 9 2947 1 1 1 ARG CB C -4.007 -0.562 8.159 1.00 . A A . 1 ARG CB 1 1 9 2948 1 1 1 ARG CD C -4.975 -2.184 9.817 1.00 . A A . 1 ARG CD 1 1 9 2949 1 1 1 ARG CG C -3.993 -1.993 8.671 1.00 . A A . 1 ARG CG 1 1 9 2950 1 1 1 ARG CZ C -4.935 -3.176 12.072 1.00 . A A . 1 ARG CZ 1 1 9 2951 1 1 1 ARG H1 H -1.668 1.722 7.490 1.00 . A A . 1 ARG H1 1 1 9 2952 1 1 1 ARG H2 H -2.348 1.415 9.035 1.00 . A A . 1 ARG H2 1 1 9 2953 1 1 1 ARG H3 H -3.361 1.848 7.719 1.00 . A A . 1 ARG H3 1 1 9 2954 1 1 1 ARG HA H -1.865 -0.641 8.144 1.00 . A A . 1 ARG HA 1 1 9 2955 1 1 1 ARG HB2 H -4.328 0.082 8.964 1.00 . A A . 1 ARG HB2 1 1 9 2956 1 1 1 ARG HB3 H -4.722 -0.499 7.352 1.00 . A A . 1 ARG HB3 1 1 9 2957 1 1 1 ARG HD2 H -5.164 -1.225 10.275 1.00 . A A . 1 ARG HD2 1 1 9 2958 1 1 1 ARG HD3 H -5.897 -2.582 9.420 1.00 . A A . 1 ARG HD3 1 1 9 2959 1 1 1 ARG HE H -3.721 -3.692 10.575 1.00 . A A . 1 ARG HE 1 1 9 2960 1 1 1 ARG HG2 H -4.264 -2.657 7.864 1.00 . A A . 1 ARG HG2 1 1 9 2961 1 1 1 ARG HG3 H -2.998 -2.231 9.018 1.00 . A A . 1 ARG HG3 1 1 9 2962 1 1 1 ARG HH11 H -6.336 -1.739 11.812 1.00 . A A . 1 ARG HH11 1 1 9 2963 1 1 1 ARG HH12 H -6.289 -2.452 13.389 1.00 . A A . 1 ARG HH12 1 1 9 2964 1 1 1 ARG HH21 H -3.657 -4.630 12.649 1.00 . A A . 1 ARG HH21 1 1 9 2965 1 1 1 ARG HH22 H -4.767 -4.093 13.865 1.00 . A A . 1 ARG HH22 1 1 9 2966 1 1 1 ARG N N -2.492 1.356 8.006 1.00 . A A . 1 ARG N 1 1 9 2967 1 1 1 ARG NE N -4.460 -3.101 10.831 1.00 . A A . 1 ARG NE 1 1 9 2968 1 1 1 ARG NH1 N -5.936 -2.391 12.455 1.00 . A A . 1 ARG NH1 1 1 9 2969 1 1 1 ARG NH2 N -4.411 -4.037 12.932 1.00 . A A . 1 ARG NH2 1 1 9 2970 1 1 1 ARG O O -2.560 0.664 5.372 1.00 . A A . 1 ARG O 1 1 9 2971 1 1 2 VAL C C -3.672 -2.279 3.746 1.00 . A A . 2 VAL C 1 1 9 2972 1 1 2 VAL CA C -2.314 -1.889 4.324 1.00 . A A . 2 VAL CA 1 1 9 2973 1 1 2 VAL CB C -1.311 -3.039 4.099 1.00 . A A . 2 VAL CB 1 1 9 2974 1 1 2 VAL CG1 C -1.787 -4.312 4.786 1.00 . A A . 2 VAL CG1 1 1 9 2975 1 1 2 VAL CG2 C -1.088 -3.275 2.613 1.00 . A A . 2 VAL CG2 1 1 9 2976 1 1 2 VAL H H -2.414 -2.272 6.404 1.00 . A A . 2 VAL H 1 1 9 2977 1 1 2 VAL HA H -1.951 -1.016 3.803 1.00 . A A . 2 VAL HA 1 1 9 2978 1 1 2 VAL HB H -0.366 -2.754 4.540 1.00 . A A . 2 VAL HB 1 1 9 2979 1 1 2 VAL HG11 H -2.820 -4.494 4.528 1.00 . A A . 2 VAL HG11 1 1 9 2980 1 1 2 VAL HG12 H -1.697 -4.199 5.855 1.00 . A A . 2 VAL HG12 1 1 9 2981 1 1 2 VAL HG13 H -1.181 -5.144 4.458 1.00 . A A . 2 VAL HG13 1 1 9 2982 1 1 2 VAL HG21 H -1.659 -4.136 2.296 1.00 . A A . 2 VAL HG21 1 1 9 2983 1 1 2 VAL HG22 H -0.038 -3.452 2.430 1.00 . A A . 2 VAL HG22 1 1 9 2984 1 1 2 VAL HG23 H -1.409 -2.406 2.058 1.00 . A A . 2 VAL HG23 1 1 9 2985 1 1 2 VAL N N -2.424 -1.552 5.739 1.00 . A A . 2 VAL N 1 1 9 2986 1 1 2 VAL O O -3.777 -3.216 2.954 1.00 . A A . 2 VAL O 1 1 9 2987 1 1 3 ILE C C -6.641 -0.601 2.956 1.00 . A A . 3 ILE C 1 1 9 2988 1 1 3 ILE CA C -6.061 -1.820 3.670 1.00 . A A . 3 ILE CA 1 1 9 2989 1 1 3 ILE CB C -6.995 -2.229 4.830 1.00 . A A . 3 ILE CB 1 1 9 2990 1 1 3 ILE CD1 C -8.944 -3.854 5.037 1.00 . A A . 3 ILE CD1 1 1 9 2991 1 1 3 ILE CG1 C -8.353 -2.679 4.288 1.00 . A A . 3 ILE CG1 1 1 9 2992 1 1 3 ILE CG2 C -7.161 -1.082 5.818 1.00 . A A . 3 ILE CG2 1 1 9 2993 1 1 3 ILE H H -4.564 -0.818 4.780 1.00 . A A . 3 ILE H 1 1 9 2994 1 1 3 ILE HA H -6.010 -2.643 2.971 1.00 . A A . 3 ILE HA 1 1 9 2995 1 1 3 ILE HB H -6.537 -3.054 5.353 1.00 . A A . 3 ILE HB 1 1 9 2996 1 1 3 ILE HD11 H -9.726 -3.506 5.695 1.00 . A A . 3 ILE HD11 1 1 9 2997 1 1 3 ILE HD12 H -8.172 -4.335 5.618 1.00 . A A . 3 ILE HD12 1 1 9 2998 1 1 3 ILE HD13 H -9.357 -4.560 4.331 1.00 . A A . 3 ILE HD13 1 1 9 2999 1 1 3 ILE HG12 H -9.052 -1.859 4.357 1.00 . A A . 3 ILE HG12 1 1 9 3000 1 1 3 ILE HG13 H -8.244 -2.966 3.252 1.00 . A A . 3 ILE HG13 1 1 9 3001 1 1 3 ILE HG21 H -6.720 -0.185 5.408 1.00 . A A . 3 ILE HG21 1 1 9 3002 1 1 3 ILE HG22 H -6.669 -1.332 6.746 1.00 . A A . 3 ILE HG22 1 1 9 3003 1 1 3 ILE HG23 H -8.213 -0.914 6.002 1.00 . A A . 3 ILE HG23 1 1 9 3004 1 1 3 ILE N N -4.710 -1.553 4.148 1.00 . A A . 3 ILE N 1 1 9 3005 1 1 3 ILE O O -7.854 -0.387 2.952 1.00 . A A . 3 ILE O 1 1 9 3006 1 1 4 ALA C C -5.961 1.243 0.134 1.00 . A A . 4 ALA C 1 1 9 3007 1 1 4 ALA CA C -6.189 1.392 1.635 1.00 . A A . 4 ALA CA 1 1 9 3008 1 1 4 ALA CB C -5.450 2.612 2.164 1.00 . A A . 4 ALA CB 1 1 9 3009 1 1 4 ALA H H -4.812 -0.027 2.390 1.00 . A A . 4 ALA H 1 1 9 3010 1 1 4 ALA HA H -7.244 1.533 1.816 1.00 . A A . 4 ALA HA 1 1 9 3011 1 1 4 ALA HB1 H -4.429 2.343 2.391 1.00 . A A . 4 ALA HB1 1 1 9 3012 1 1 4 ALA HB2 H -5.937 2.966 3.060 1.00 . A A . 4 ALA HB2 1 1 9 3013 1 1 4 ALA HB3 H -5.460 3.392 1.417 1.00 . A A . 4 ALA HB3 1 1 9 3014 1 1 4 ALA N N -5.766 0.195 2.352 1.00 . A A . 4 ALA N 1 1 9 3015 1 1 4 ALA O O -6.693 1.815 -0.674 1.00 . A A . 4 ALA O 1 1 9 3016 1 1 5 CYS C C -5.801 -0.364 -2.379 1.00 . A A . 5 CYS C 1 1 9 3017 1 1 5 CYS CA C -4.617 0.250 -1.638 1.00 . A A . 5 CYS CA 1 1 9 3018 1 1 5 CYS CB C -3.395 -0.661 -1.762 1.00 . A A . 5 CYS CB 1 1 9 3019 1 1 5 CYS H H -4.394 0.044 0.457 1.00 . A A . 5 CYS H 1 1 9 3020 1 1 5 CYS HA H -4.389 1.208 -2.080 1.00 . A A . 5 CYS HA 1 1 9 3021 1 1 5 CYS HB2 H -2.695 -0.422 -0.976 1.00 . A A . 5 CYS HB2 1 1 9 3022 1 1 5 CYS HB3 H -3.709 -1.688 -1.656 1.00 . A A . 5 CYS HB3 1 1 9 3023 1 1 5 CYS N N -4.941 0.473 -0.232 1.00 . A A . 5 CYS N 1 1 9 3024 1 1 5 CYS O O -6.712 -0.919 -1.764 1.00 . A A . 5 CYS O 1 1 9 3025 1 1 5 CYS SG S -2.516 -0.509 -3.351 1.00 . A A . 5 CYS SG 1 1 9 3026 1 1 6 PHE C C -6.311 -1.848 -5.504 1.00 . A A . 6 PHE C 1 1 9 3027 1 1 6 PHE CA C -6.851 -0.805 -4.530 1.00 . A A . 6 PHE CA 1 1 9 3028 1 1 6 PHE CB C -7.549 0.316 -5.303 1.00 . A A . 6 PHE CB 1 1 9 3029 1 1 6 PHE CD1 C -5.811 2.113 -5.534 1.00 . A A . 6 PHE CD1 1 1 9 3030 1 1 6 PHE CD2 C -6.530 0.971 -7.501 1.00 . A A . 6 PHE CD2 1 1 9 3031 1 1 6 PHE CE1 C -4.947 2.881 -6.291 1.00 . A A . 6 PHE CE1 1 1 9 3032 1 1 6 PHE CE2 C -5.668 1.737 -8.263 1.00 . A A . 6 PHE CE2 1 1 9 3033 1 1 6 PHE CG C -6.611 1.150 -6.129 1.00 . A A . 6 PHE CG 1 1 9 3034 1 1 6 PHE CZ C -4.876 2.693 -7.658 1.00 . A A . 6 PHE CZ 1 1 9 3035 1 1 6 PHE H H -5.027 0.194 -4.137 1.00 . A A . 6 PHE H 1 1 9 3036 1 1 6 PHE HA H -7.568 -1.278 -3.876 1.00 . A A . 6 PHE HA 1 1 9 3037 1 1 6 PHE HB2 H -8.282 -0.115 -5.967 1.00 . A A . 6 PHE HB2 1 1 9 3038 1 1 6 PHE HB3 H -8.047 0.971 -4.602 1.00 . A A . 6 PHE HB3 1 1 9 3039 1 1 6 PHE HD1 H -5.866 2.260 -4.465 1.00 . A A . 6 PHE HD1 1 1 9 3040 1 1 6 PHE HD2 H -7.150 0.225 -7.976 1.00 . A A . 6 PHE HD2 1 1 9 3041 1 1 6 PHE HE1 H -4.329 3.627 -5.815 1.00 . A A . 6 PHE HE1 1 1 9 3042 1 1 6 PHE HE2 H -5.614 1.587 -9.331 1.00 . A A . 6 PHE HE2 1 1 9 3043 1 1 6 PHE HZ H -4.202 3.292 -8.252 1.00 . A A . 6 PHE HZ 1 1 9 3044 1 1 6 PHE N N -5.780 -0.260 -3.705 1.00 . A A . 6 PHE N 1 1 9 3045 1 1 6 PHE O O -6.788 -1.964 -6.633 1.00 . A A . 6 PHE O 1 1 9 3046 1 1 7 LEU C C -4.556 -4.940 -5.114 1.00 . A A . 7 LEU C 1 1 9 3047 1 1 7 LEU CA C -4.706 -3.637 -5.890 1.00 . A A . 7 LEU CA 1 1 9 3048 1 1 7 LEU CB C -3.341 -3.174 -6.402 1.00 . A A . 7 LEU CB 1 1 9 3049 1 1 7 LEU CD1 C -2.192 -1.250 -7.527 1.00 . A A . 7 LEU CD1 1 1 9 3050 1 1 7 LEU CD2 C -3.430 -2.937 -8.896 1.00 . A A . 7 LEU CD2 1 1 9 3051 1 1 7 LEU CG C -3.387 -2.189 -7.573 1.00 . A A . 7 LEU CG 1 1 9 3052 1 1 7 LEU H H -4.974 -2.462 -4.150 1.00 . A A . 7 LEU H 1 1 9 3053 1 1 7 LEU HA H -5.358 -3.807 -6.735 1.00 . A A . 7 LEU HA 1 1 9 3054 1 1 7 LEU HB2 H -2.814 -2.705 -5.584 1.00 . A A . 7 LEU HB2 1 1 9 3055 1 1 7 LEU HB3 H -2.784 -4.044 -6.717 1.00 . A A . 7 LEU HB3 1 1 9 3056 1 1 7 LEU HD11 H -1.354 -1.755 -7.069 1.00 . A A . 7 LEU HD11 1 1 9 3057 1 1 7 LEU HD12 H -2.444 -0.374 -6.946 1.00 . A A . 7 LEU HD12 1 1 9 3058 1 1 7 LEU HD13 H -1.929 -0.953 -8.530 1.00 . A A . 7 LEU HD13 1 1 9 3059 1 1 7 LEU HD21 H -3.969 -2.349 -9.624 1.00 . A A . 7 LEU HD21 1 1 9 3060 1 1 7 LEU HD22 H -3.929 -3.884 -8.758 1.00 . A A . 7 LEU HD22 1 1 9 3061 1 1 7 LEU HD23 H -2.422 -3.108 -9.245 1.00 . A A . 7 LEU HD23 1 1 9 3062 1 1 7 LEU HG H -4.284 -1.591 -7.495 1.00 . A A . 7 LEU HG 1 1 9 3063 1 1 7 LEU N N -5.312 -2.603 -5.060 1.00 . A A . 7 LEU N 1 1 9 3064 1 1 7 LEU O O -4.285 -4.932 -3.914 1.00 . A A . 7 LEU O 1 1 9 3065 1 1 8 LYS C C -3.164 -7.691 -4.851 1.00 . A A . 8 LYS C 1 1 9 3066 1 1 8 LYS CA C -4.618 -7.373 -5.182 1.00 . A A . 8 LYS CA 1 1 9 3067 1 1 8 LYS CB C -5.192 -8.452 -6.103 1.00 . A A . 8 LYS CB 1 1 9 3068 1 1 8 LYS CD C -7.294 -9.160 -7.282 1.00 . A A . 8 LYS CD 1 1 9 3069 1 1 8 LYS CE C -7.868 -8.059 -8.158 1.00 . A A . 8 LYS CE 1 1 9 3070 1 1 8 LYS CG C -6.701 -8.600 -5.999 1.00 . A A . 8 LYS CG 1 1 9 3071 1 1 8 LYS H H -4.949 -6.003 -6.762 1.00 . A A . 8 LYS H 1 1 9 3072 1 1 8 LYS HA H -5.188 -7.355 -4.265 1.00 . A A . 8 LYS HA 1 1 9 3073 1 1 8 LYS HB2 H -4.944 -8.205 -7.125 1.00 . A A . 8 LYS HB2 1 1 9 3074 1 1 8 LYS HB3 H -4.740 -9.400 -5.851 1.00 . A A . 8 LYS HB3 1 1 9 3075 1 1 8 LYS HD2 H -6.520 -9.675 -7.831 1.00 . A A . 8 LYS HD2 1 1 9 3076 1 1 8 LYS HD3 H -8.082 -9.855 -7.030 1.00 . A A . 8 LYS HD3 1 1 9 3077 1 1 8 LYS HE2 H -8.491 -8.508 -8.917 1.00 . A A . 8 LYS HE2 1 1 9 3078 1 1 8 LYS HE3 H -8.467 -7.403 -7.543 1.00 . A A . 8 LYS HE3 1 1 9 3079 1 1 8 LYS HG2 H -6.932 -9.269 -5.185 1.00 . A A . 8 LYS HG2 1 1 9 3080 1 1 8 LYS HG3 H -7.135 -7.630 -5.806 1.00 . A A . 8 LYS HG3 1 1 9 3081 1 1 8 LYS HZ1 H -6.270 -7.856 -9.489 1.00 . A A . 8 LYS HZ1 1 1 9 3082 1 1 8 LYS HZ2 H -6.138 -6.888 -8.108 1.00 . A A . 8 LYS HZ2 1 1 9 3083 1 1 8 LYS HZ3 H -7.218 -6.463 -9.338 1.00 . A A . 8 LYS HZ3 1 1 9 3084 1 1 8 LYS N N -4.734 -6.060 -5.807 1.00 . A A . 8 LYS N 1 1 9 3085 1 1 8 LYS NZ N -6.799 -7.261 -8.819 1.00 . A A . 8 LYS NZ 1 1 9 3086 1 1 8 LYS O O -2.821 -7.947 -3.696 1.00 . A A . 8 LYS O 1 1 9 3087 1 1 9 VAL C C -0.256 -6.983 -4.705 1.00 . A A . 9 VAL C 1 1 9 3088 1 1 9 VAL CA C -0.894 -7.960 -5.688 1.00 . A A . 9 VAL CA 1 1 9 3089 1 1 9 VAL CB C -0.133 -7.901 -7.028 1.00 . A A . 9 VAL CB 1 1 9 3090 1 1 9 VAL CG1 C -0.222 -6.509 -7.636 1.00 . A A . 9 VAL CG1 1 1 9 3091 1 1 9 VAL CG2 C 1.319 -8.317 -6.838 1.00 . A A . 9 VAL CG2 1 1 9 3092 1 1 9 VAL H H -2.646 -7.463 -6.768 1.00 . A A . 9 VAL H 1 1 9 3093 1 1 9 VAL HA H -0.806 -8.961 -5.293 1.00 . A A . 9 VAL HA 1 1 9 3094 1 1 9 VAL HB H -0.597 -8.597 -7.711 1.00 . A A . 9 VAL HB 1 1 9 3095 1 1 9 VAL HG11 H 0.484 -5.857 -7.146 1.00 . A A . 9 VAL HG11 1 1 9 3096 1 1 9 VAL HG12 H -1.222 -6.122 -7.504 1.00 . A A . 9 VAL HG12 1 1 9 3097 1 1 9 VAL HG13 H 0.007 -6.563 -8.690 1.00 . A A . 9 VAL HG13 1 1 9 3098 1 1 9 VAL HG21 H 1.922 -7.442 -6.648 1.00 . A A . 9 VAL HG21 1 1 9 3099 1 1 9 VAL HG22 H 1.671 -8.811 -7.732 1.00 . A A . 9 VAL HG22 1 1 9 3100 1 1 9 VAL HG23 H 1.393 -8.994 -6.000 1.00 . A A . 9 VAL HG23 1 1 9 3101 1 1 9 VAL N N -2.312 -7.673 -5.871 1.00 . A A . 9 VAL N 1 1 9 3102 1 1 9 VAL O O 0.721 -7.312 -4.033 1.00 . A A . 9 VAL O 1 1 9 3103 1 1 10 CYS C C -0.974 -4.835 -2.360 1.00 . A A . 10 CYS C 1 1 9 3104 1 1 10 CYS CA C -0.297 -4.755 -3.725 1.00 . A A . 10 CYS CA 1 1 9 3105 1 1 10 CYS CB C -0.505 -3.364 -4.327 1.00 . A A . 10 CYS CB 1 1 9 3106 1 1 10 CYS H H -1.591 -5.573 -5.186 1.00 . A A . 10 CYS H 1 1 9 3107 1 1 10 CYS HA H 0.761 -4.928 -3.599 1.00 . A A . 10 CYS HA 1 1 9 3108 1 1 10 CYS HB2 H -0.517 -3.445 -5.405 1.00 . A A . 10 CYS HB2 1 1 9 3109 1 1 10 CYS HB3 H -1.453 -2.972 -3.991 1.00 . A A . 10 CYS HB3 1 1 9 3110 1 1 10 CYS N N -0.814 -5.778 -4.625 1.00 . A A . 10 CYS N 1 1 9 3111 1 1 10 CYS O O -0.337 -5.161 -1.358 1.00 . A A . 10 CYS O 1 1 9 3112 1 1 10 CYS SG S 0.786 -2.158 -3.878 1.00 . A A . 10 CYS SG 1 1 9 3113 1 1 11 ALA C C -3.077 -5.984 -0.509 1.00 . A A . 11 ALA C 1 1 9 3114 1 1 11 ALA CA C -3.032 -4.573 -1.087 1.00 . A A . 11 ALA CA 1 1 9 3115 1 1 11 ALA CB C -4.442 -4.051 -1.320 1.00 . A A . 11 ALA CB 1 1 9 3116 1 1 11 ALA H H -2.722 -4.283 -3.161 1.00 . A A . 11 ALA H 1 1 9 3117 1 1 11 ALA HA H -2.545 -3.920 -0.377 1.00 . A A . 11 ALA HA 1 1 9 3118 1 1 11 ALA HB1 H -4.461 -3.453 -2.219 1.00 . A A . 11 ALA HB1 1 1 9 3119 1 1 11 ALA HB2 H -4.746 -3.447 -0.478 1.00 . A A . 11 ALA HB2 1 1 9 3120 1 1 11 ALA HB3 H -5.122 -4.885 -1.428 1.00 . A A . 11 ALA HB3 1 1 9 3121 1 1 11 ALA N N -2.270 -4.536 -2.329 1.00 . A A . 11 ALA N 1 1 9 3122 1 1 11 ALA O O -2.846 -6.184 0.683 1.00 . A A . 11 ALA O 1 1 9 3123 1 1 12 ALA C C -2.086 -9.032 -0.968 1.00 . A A . 12 ALA C 1 1 9 3124 1 1 12 ALA CA C -3.456 -8.353 -0.938 1.00 . A A . 12 ALA CA 1 1 9 3125 1 1 12 ALA CB C -4.439 -9.113 -1.815 1.00 . A A . 12 ALA CB 1 1 9 3126 1 1 12 ALA H H -3.553 -6.735 -2.300 1.00 . A A . 12 ALA H 1 1 9 3127 1 1 12 ALA HA H -3.830 -8.371 0.075 1.00 . A A . 12 ALA HA 1 1 9 3128 1 1 12 ALA HB1 H -3.904 -9.601 -2.617 1.00 . A A . 12 ALA HB1 1 1 9 3129 1 1 12 ALA HB2 H -5.159 -8.424 -2.230 1.00 . A A . 12 ALA HB2 1 1 9 3130 1 1 12 ALA HB3 H -4.952 -9.855 -1.221 1.00 . A A . 12 ALA HB3 1 1 9 3131 1 1 12 ALA N N -3.378 -6.959 -1.363 1.00 . A A . 12 ALA N 1 1 9 3132 1 1 12 ALA O O -1.982 -10.218 -1.280 1.00 . A A . 12 ALA O 1 1 9 3133 1 1 13 ALA C C 0.761 -9.203 0.777 1.00 . A A . 13 ALA C 1 1 9 3134 1 1 13 ALA CA C 0.315 -8.823 -0.634 1.00 . A A . 13 ALA CA 1 1 9 3135 1 1 13 ALA CB C 1.286 -7.822 -1.244 1.00 . A A . 13 ALA CB 1 1 9 3136 1 1 13 ALA H H -1.177 -7.343 -0.401 1.00 . A A . 13 ALA H 1 1 9 3137 1 1 13 ALA HA H 0.319 -9.710 -1.251 1.00 . A A . 13 ALA HA 1 1 9 3138 1 1 13 ALA HB1 H 1.845 -7.337 -0.457 1.00 . A A . 13 ALA HB1 1 1 9 3139 1 1 13 ALA HB2 H 0.734 -7.081 -1.804 1.00 . A A . 13 ALA HB2 1 1 9 3140 1 1 13 ALA HB3 H 1.968 -8.338 -1.905 1.00 . A A . 13 ALA HB3 1 1 9 3141 1 1 13 ALA N N -1.039 -8.281 -0.642 1.00 . A A . 13 ALA N 1 1 9 3142 1 1 13 ALA O O 1.867 -9.708 0.971 1.00 . A A . 13 ALA O 1 1 9 3143 1 1 14 ALA C C 1.497 -8.594 3.597 1.00 . A A . 14 ALA C 1 1 9 3144 1 1 14 ALA CA C 0.210 -9.280 3.148 1.00 . A A . 14 ALA CA 1 1 9 3145 1 1 14 ALA CB C 0.322 -10.786 3.329 1.00 . A A . 14 ALA CB 1 1 9 3146 1 1 14 ALA H H -0.969 -8.557 1.548 1.00 . A A . 14 ALA H 1 1 9 3147 1 1 14 ALA HA H -0.606 -8.928 3.762 1.00 . A A . 14 ALA HA 1 1 9 3148 1 1 14 ALA HB1 H 1.362 -11.075 3.313 1.00 . A A . 14 ALA HB1 1 1 9 3149 1 1 14 ALA HB2 H -0.202 -11.285 2.527 1.00 . A A . 14 ALA HB2 1 1 9 3150 1 1 14 ALA HB3 H -0.115 -11.069 4.275 1.00 . A A . 14 ALA HB3 1 1 9 3151 1 1 14 ALA N N -0.103 -8.960 1.760 1.00 . A A . 14 ALA N 1 1 9 3152 1 1 14 ALA O O 2.222 -9.110 4.447 1.00 . A A . 14 ALA O 1 1 9 3153 1 1 15 ASN C C 2.708 -5.174 3.292 1.00 . A A . 15 ASN C 1 1 9 3154 1 1 15 ASN CA C 2.973 -6.674 3.360 1.00 . A A . 15 ASN CA 1 1 9 3155 1 1 15 ASN CB C 4.120 -7.045 2.418 1.00 . A A . 15 ASN CB 1 1 9 3156 1 1 15 ASN CG C 5.461 -7.071 3.122 1.00 . A A . 15 ASN CG 1 1 9 3157 1 1 15 ASN H H 1.156 -7.070 2.349 1.00 . A A . 15 ASN H 1 1 9 3158 1 1 15 ASN HA H 3.251 -6.933 4.370 1.00 . A A . 15 ASN HA 1 1 9 3159 1 1 15 ASN HB2 H 3.934 -8.024 2.002 1.00 . A A . 15 ASN HB2 1 1 9 3160 1 1 15 ASN HB3 H 4.167 -6.322 1.617 1.00 . A A . 15 ASN HB3 1 1 9 3161 1 1 15 ASN HD21 H 6.337 -7.777 1.484 1.00 . A A . 15 ASN HD21 1 1 9 3162 1 1 15 ASN HD22 H 7.375 -7.530 2.841 1.00 . A A . 15 ASN HD22 1 1 9 3163 1 1 15 ASN N N 1.773 -7.430 3.020 1.00 . A A . 15 ASN N 1 1 9 3164 1 1 15 ASN ND2 N 6.496 -7.503 2.411 1.00 . A A . 15 ASN ND2 1 1 9 3165 1 1 15 ASN O O 2.573 -4.606 2.208 1.00 . A A . 15 ASN O 1 1 9 3166 1 1 15 ASN OD1 O 5.568 -6.705 4.294 1.00 . A A . 15 ASN OD1 1 1 9 3167 1 1 16 VAL C C 3.579 -2.311 4.003 1.00 . A A . 16 VAL C 1 1 9 3168 1 1 16 VAL CA C 2.387 -3.102 4.530 1.00 . A A . 16 VAL CA 1 1 9 3169 1 1 16 VAL CB C 2.087 -2.655 5.972 1.00 . A A . 16 VAL CB 1 1 9 3170 1 1 16 VAL CG1 C 1.627 -1.207 5.999 1.00 . A A . 16 VAL CG1 1 1 9 3171 1 1 16 VAL CG2 C 1.047 -3.566 6.608 1.00 . A A . 16 VAL CG2 1 1 9 3172 1 1 16 VAL H H 2.753 -5.044 5.287 1.00 . A A . 16 VAL H 1 1 9 3173 1 1 16 VAL HA H 1.523 -2.882 3.919 1.00 . A A . 16 VAL HA 1 1 9 3174 1 1 16 VAL HB H 2.998 -2.730 6.548 1.00 . A A . 16 VAL HB 1 1 9 3175 1 1 16 VAL HG11 H 0.849 -1.063 5.263 1.00 . A A . 16 VAL HG11 1 1 9 3176 1 1 16 VAL HG12 H 2.461 -0.559 5.771 1.00 . A A . 16 VAL HG12 1 1 9 3177 1 1 16 VAL HG13 H 1.242 -0.969 6.979 1.00 . A A . 16 VAL HG13 1 1 9 3178 1 1 16 VAL HG21 H 0.462 -4.041 5.834 1.00 . A A . 16 VAL HG21 1 1 9 3179 1 1 16 VAL HG22 H 0.397 -2.983 7.243 1.00 . A A . 16 VAL HG22 1 1 9 3180 1 1 16 VAL HG23 H 1.544 -4.322 7.199 1.00 . A A . 16 VAL HG23 1 1 9 3181 1 1 16 VAL N N 2.636 -4.537 4.457 1.00 . A A . 16 VAL N 1 1 9 3182 1 1 16 VAL O O 3.421 -1.392 3.200 1.00 . A A . 16 VAL O 1 1 9 3183 1 1 17 ALA C C 6.180 -2.102 2.526 1.00 . A A . 17 ALA C 1 1 9 3184 1 1 17 ALA CA C 5.992 -1.997 4.035 1.00 . A A . 17 ALA CA 1 1 9 3185 1 1 17 ALA CB C 7.197 -2.574 4.762 1.00 . A A . 17 ALA CB 1 1 9 3186 1 1 17 ALA H H 4.835 -3.414 5.100 1.00 . A A . 17 ALA H 1 1 9 3187 1 1 17 ALA HA H 5.904 -0.955 4.305 1.00 . A A . 17 ALA HA 1 1 9 3188 1 1 17 ALA HB1 H 7.052 -2.485 5.828 1.00 . A A . 17 ALA HB1 1 1 9 3189 1 1 17 ALA HB2 H 8.086 -2.033 4.473 1.00 . A A . 17 ALA HB2 1 1 9 3190 1 1 17 ALA HB3 H 7.311 -3.616 4.501 1.00 . A A . 17 ALA HB3 1 1 9 3191 1 1 17 ALA N N 4.773 -2.674 4.461 1.00 . A A . 17 ALA N 1 1 9 3192 1 1 17 ALA O O 6.497 -1.116 1.861 1.00 . A A . 17 ALA O 1 1 9 3193 1 1 18 ALA C C 5.204 -2.625 -0.239 1.00 . A A . 18 ALA C 1 1 9 3194 1 1 18 ALA CA C 6.129 -3.535 0.560 1.00 . A A . 18 ALA CA 1 1 9 3195 1 1 18 ALA CB C 5.850 -4.994 0.231 1.00 . A A . 18 ALA CB 1 1 9 3196 1 1 18 ALA H H 5.730 -4.050 2.574 1.00 . A A . 18 ALA H 1 1 9 3197 1 1 18 ALA HA H 7.152 -3.318 0.290 1.00 . A A . 18 ALA HA 1 1 9 3198 1 1 18 ALA HB1 H 6.343 -5.255 -0.694 1.00 . A A . 18 ALA HB1 1 1 9 3199 1 1 18 ALA HB2 H 4.785 -5.142 0.126 1.00 . A A . 18 ALA HB2 1 1 9 3200 1 1 18 ALA HB3 H 6.224 -5.621 1.027 1.00 . A A . 18 ALA HB3 1 1 9 3201 1 1 18 ALA N N 5.982 -3.303 1.992 1.00 . A A . 18 ALA N 1 1 9 3202 1 1 18 ALA O O 5.567 -2.137 -1.310 1.00 . A A . 18 ALA O 1 1 9 3203 1 1 19 HIS C C 3.407 -0.068 -0.217 1.00 . A A . 19 HIS C 1 1 9 3204 1 1 19 HIS CA C 3.028 -1.542 -0.369 1.00 . A A . 19 HIS CA 1 1 9 3205 1 1 19 HIS CB C 1.626 -1.801 0.205 1.00 . A A . 19 HIS CB 1 1 9 3206 1 1 19 HIS CD2 C 0.319 0.224 1.137 1.00 . A A . 19 HIS CD2 1 1 9 3207 1 1 19 HIS CE1 C -0.585 0.854 -0.737 1.00 . A A . 19 HIS CE1 1 1 9 3208 1 1 19 HIS CG C 0.708 -0.616 0.146 1.00 . A A . 19 HIS CG 1 1 9 3209 1 1 19 HIS H H 3.776 -2.812 1.149 1.00 . A A . 19 HIS H 1 1 9 3210 1 1 19 HIS HA H 3.027 -1.792 -1.420 1.00 . A A . 19 HIS HA 1 1 9 3211 1 1 19 HIS HB2 H 1.163 -2.604 -0.349 1.00 . A A . 19 HIS HB2 1 1 9 3212 1 1 19 HIS HB3 H 1.721 -2.097 1.240 1.00 . A A . 19 HIS HB3 1 1 9 3213 1 1 19 HIS HD2 H 0.612 0.181 2.173 1.00 . A A . 19 HIS HD2 1 1 9 3214 1 1 19 HIS HE1 H -1.132 1.429 -1.466 1.00 . A A . 19 HIS HE1 1 1 9 3215 1 1 19 HIS HE2 H -1.086 1.783 1.048 1.00 . A A . 19 HIS HE2 1 1 9 3216 1 1 19 HIS N N 4.007 -2.397 0.291 1.00 . A A . 19 HIS N 1 1 9 3217 1 1 19 HIS ND1 N 0.128 -0.209 -1.030 1.00 . A A . 19 HIS ND1 1 1 9 3218 1 1 19 HIS NE2 N -0.505 1.158 0.566 1.00 . A A . 19 HIS NE2 1 1 9 3219 1 1 19 HIS O O 3.620 0.632 -1.206 1.00 . A A . 19 HIS O 1 1 9 3220 1 1 20 MET C C 5.044 2.244 0.519 1.00 . A A . 20 MET C 1 1 9 3221 1 1 20 MET CA C 3.825 1.785 1.317 1.00 . A A . 20 MET CA 1 1 9 3222 1 1 20 MET CB C 4.088 1.964 2.814 1.00 . A A . 20 MET CB 1 1 9 3223 1 1 20 MET CE C 6.243 5.294 4.041 1.00 . A A . 20 MET CE 1 1 9 3224 1 1 20 MET CG C 4.399 3.398 3.210 1.00 . A A . 20 MET CG 1 1 9 3225 1 1 20 MET H H 3.296 -0.214 1.774 1.00 . A A . 20 MET H 1 1 9 3226 1 1 20 MET HA H 2.980 2.396 1.037 1.00 . A A . 20 MET HA 1 1 9 3227 1 1 20 MET HB2 H 3.214 1.644 3.362 1.00 . A A . 20 MET HB2 1 1 9 3228 1 1 20 MET HB3 H 4.927 1.346 3.096 1.00 . A A . 20 MET HB3 1 1 9 3229 1 1 20 MET HE1 H 5.691 5.161 4.960 1.00 . A A . 20 MET HE1 1 1 9 3230 1 1 20 MET HE2 H 5.815 6.112 3.481 1.00 . A A . 20 MET HE2 1 1 9 3231 1 1 20 MET HE3 H 7.275 5.515 4.269 1.00 . A A . 20 MET HE3 1 1 9 3232 1 1 20 MET HG2 H 3.843 4.064 2.566 1.00 . A A . 20 MET HG2 1 1 9 3233 1 1 20 MET HG3 H 4.092 3.549 4.234 1.00 . A A . 20 MET HG3 1 1 9 3234 1 1 20 MET N N 3.482 0.394 1.028 1.00 . A A . 20 MET N 1 1 9 3235 1 1 20 MET O O 5.049 3.337 -0.046 1.00 . A A . 20 MET O 1 1 9 3236 1 1 20 MET SD S 6.154 3.793 3.068 1.00 . A A . 20 MET SD 1 1 9 3237 1 1 21 THR C C 6.992 2.041 -1.724 1.00 . A A . 21 THR C 1 1 9 3238 1 1 21 THR CA C 7.295 1.736 -0.258 1.00 . A A . 21 THR CA 1 1 9 3239 1 1 21 THR CB C 8.300 0.587 -0.159 1.00 . A A . 21 THR CB 1 1 9 3240 1 1 21 THR CG2 C 7.839 -0.677 -0.853 1.00 . A A . 21 THR CG2 1 1 9 3241 1 1 21 THR H H 6.016 0.548 0.945 1.00 . A A . 21 THR H 1 1 9 3242 1 1 21 THR HA H 7.725 2.616 0.197 1.00 . A A . 21 THR HA 1 1 9 3243 1 1 21 THR HB H 8.462 0.352 0.883 1.00 . A A . 21 THR HB 1 1 9 3244 1 1 21 THR HG1 H 10.118 1.308 -0.042 1.00 . A A . 21 THR HG1 1 1 9 3245 1 1 21 THR HG21 H 8.656 -1.092 -1.424 1.00 . A A . 21 THR HG21 1 1 9 3246 1 1 21 THR HG22 H 7.018 -0.445 -1.515 1.00 . A A . 21 THR HG22 1 1 9 3247 1 1 21 THR HG23 H 7.515 -1.396 -0.115 1.00 . A A . 21 THR HG23 1 1 9 3248 1 1 21 THR N N 6.075 1.406 0.474 1.00 . A A . 21 THR N 1 1 9 3249 1 1 21 THR O O 7.747 2.749 -2.390 1.00 . A A . 21 THR O 1 1 9 3250 1 1 21 THR OG1 O 9.544 0.959 -0.727 1.00 . A A . 21 THR OG1 1 1 9 3251 1 1 22 HIS C C 4.135 2.442 -3.674 1.00 . A A . 22 HIS C 1 1 9 3252 1 1 22 HIS CA C 5.474 1.706 -3.600 1.00 . A A . 22 HIS CA 1 1 9 3253 1 1 22 HIS CB C 5.397 0.346 -4.321 1.00 . A A . 22 HIS CB 1 1 9 3254 1 1 22 HIS CD2 C 2.825 0.055 -4.658 1.00 . A A . 22 HIS CD2 1 1 9 3255 1 1 22 HIS CE1 C 2.837 -0.330 -6.818 1.00 . A A . 22 HIS CE1 1 1 9 3256 1 1 22 HIS CG C 4.118 0.094 -5.074 1.00 . A A . 22 HIS CG 1 1 9 3257 1 1 22 HIS H H 5.325 0.946 -1.642 1.00 . A A . 22 HIS H 1 1 9 3258 1 1 22 HIS HA H 6.226 2.309 -4.070 1.00 . A A . 22 HIS HA 1 1 9 3259 1 1 22 HIS HB2 H 6.209 0.281 -5.029 1.00 . A A . 22 HIS HB2 1 1 9 3260 1 1 22 HIS HB3 H 5.508 -0.442 -3.589 1.00 . A A . 22 HIS HB3 1 1 9 3261 1 1 22 HIS HD1 H 4.867 -0.188 -7.024 1.00 . A A . 22 HIS HD1 1 1 9 3262 1 1 22 HIS HD2 H 2.463 0.210 -3.644 1.00 . A A . 22 HIS HD2 1 1 9 3263 1 1 22 HIS HE1 H 2.511 -0.540 -7.826 1.00 . A A . 22 HIS HE1 1 1 9 3264 1 1 22 HIS HE2 H 1.074 -0.226 -5.782 1.00 . A A . 22 HIS HE2 1 1 9 3265 1 1 22 HIS N N 5.883 1.499 -2.218 1.00 . A A . 22 HIS N 1 1 9 3266 1 1 22 HIS ND1 N 4.088 -0.152 -6.431 1.00 . A A . 22 HIS ND1 1 1 9 3267 1 1 22 HIS NE2 N 2.054 -0.211 -5.762 1.00 . A A . 22 HIS NE2 1 1 9 3268 1 1 22 HIS O O 3.576 2.633 -4.754 1.00 . A A . 22 HIS O 1 1 9 3269 1 1 23 CYS C C 2.342 4.586 -1.367 1.00 . A A . 23 CYS C 1 1 9 3270 1 1 23 CYS CA C 2.338 3.515 -2.454 1.00 . A A . 23 CYS CA 1 1 9 3271 1 1 23 CYS CB C 1.258 2.481 -2.159 1.00 . A A . 23 CYS CB 1 1 9 3272 1 1 23 CYS H H 4.091 2.646 -1.690 1.00 . A A . 23 CYS H 1 1 9 3273 1 1 23 CYS HA H 2.143 3.973 -3.412 1.00 . A A . 23 CYS HA 1 1 9 3274 1 1 23 CYS HB2 H 1.712 1.644 -1.649 1.00 . A A . 23 CYS HB2 1 1 9 3275 1 1 23 CYS HB3 H 0.519 2.919 -1.510 1.00 . A A . 23 CYS HB3 1 1 9 3276 1 1 23 CYS N N 3.616 2.836 -2.520 1.00 . A A . 23 CYS N 1 1 9 3277 1 1 23 CYS O O 1.310 4.872 -0.760 1.00 . A A . 23 CYS O 1 1 9 3278 1 1 23 CYS SG S 0.404 1.817 -3.630 1.00 . A A . 23 CYS SG 1 1 9 3279 1 1 24 ALA C C 2.753 7.406 -0.427 1.00 . A A . 24 ALA C 1 1 9 3280 1 1 24 ALA CA C 3.648 6.212 -0.114 1.00 . A A . 24 ALA CA 1 1 9 3281 1 1 24 ALA CB C 5.099 6.653 -0.005 1.00 . A A . 24 ALA CB 1 1 9 3282 1 1 24 ALA H H 4.297 4.903 -1.644 1.00 . A A . 24 ALA H 1 1 9 3283 1 1 24 ALA HA H 3.351 5.793 0.836 1.00 . A A . 24 ALA HA 1 1 9 3284 1 1 24 ALA HB1 H 5.642 5.955 0.616 1.00 . A A . 24 ALA HB1 1 1 9 3285 1 1 24 ALA HB2 H 5.145 7.637 0.437 1.00 . A A . 24 ALA HB2 1 1 9 3286 1 1 24 ALA HB3 H 5.543 6.679 -0.989 1.00 . A A . 24 ALA HB3 1 1 9 3287 1 1 24 ALA N N 3.510 5.174 -1.127 1.00 . A A . 24 ALA N 1 1 9 3288 1 1 24 ALA O O 2.195 7.508 -1.520 1.00 . A A . 24 ALA O 1 1 9 3289 1 1 25 LYS C C 2.429 10.465 -0.625 1.00 . A A . 25 LYS C 1 1 9 3290 1 1 25 LYS CA C 1.792 9.497 0.367 1.00 . A A . 25 LYS CA 1 1 9 3291 1 1 25 LYS CB C 1.578 10.196 1.711 1.00 . A A . 25 LYS CB 1 1 9 3292 1 1 25 LYS CD C -0.772 9.958 2.569 1.00 . A A . 25 LYS CD 1 1 9 3293 1 1 25 LYS CE C -1.577 9.573 3.800 1.00 . A A . 25 LYS CE 1 1 9 3294 1 1 25 LYS CG C 0.653 9.437 2.650 1.00 . A A . 25 LYS CG 1 1 9 3295 1 1 25 LYS H H 3.088 8.173 1.389 1.00 . A A . 25 LYS H 1 1 9 3296 1 1 25 LYS HA H 0.835 9.181 -0.021 1.00 . A A . 25 LYS HA 1 1 9 3297 1 1 25 LYS HB2 H 2.533 10.313 2.200 1.00 . A A . 25 LYS HB2 1 1 9 3298 1 1 25 LYS HB3 H 1.152 11.172 1.533 1.00 . A A . 25 LYS HB3 1 1 9 3299 1 1 25 LYS HD2 H -0.748 11.034 2.489 1.00 . A A . 25 LYS HD2 1 1 9 3300 1 1 25 LYS HD3 H -1.249 9.541 1.694 1.00 . A A . 25 LYS HD3 1 1 9 3301 1 1 25 LYS HE2 H -1.674 8.498 3.829 1.00 . A A . 25 LYS HE2 1 1 9 3302 1 1 25 LYS HE3 H -1.048 9.911 4.679 1.00 . A A . 25 LYS HE3 1 1 9 3303 1 1 25 LYS HG2 H 0.659 8.392 2.378 1.00 . A A . 25 LYS HG2 1 1 9 3304 1 1 25 LYS HG3 H 1.011 9.550 3.662 1.00 . A A . 25 LYS HG3 1 1 9 3305 1 1 25 LYS HZ1 H -2.906 11.134 4.205 1.00 . A A . 25 LYS HZ1 1 1 9 3306 1 1 25 LYS HZ2 H -3.595 9.595 4.339 1.00 . A A . 25 LYS HZ2 1 1 9 3307 1 1 25 LYS HZ3 H -3.287 10.252 2.812 1.00 . A A . 25 LYS HZ3 1 1 9 3308 1 1 25 LYS N N 2.620 8.310 0.540 1.00 . A A . 25 LYS N 1 1 9 3309 1 1 25 LYS NZ N -2.936 10.182 3.788 1.00 . A A . 25 LYS NZ 1 1 9 3310 1 1 25 LYS O O 3.674 10.472 -0.727 1.00 . A A . 25 LYS O 1 1 9 3311 1 1 25 LYS OXT O 1.678 11.207 -1.292 1.00 . A A . 25 LYS OXT 1 1 9 3312 2 2 1 ZN ZN ZN -0.252 -0.310 -2.978 1.00 . B A . 26 ZN ZN 1 1 10 3313 1 1 1 ARG C C -2.596 -0.340 6.264 1.00 . A A . 1 ARG C 1 1 10 3314 1 1 1 ARG CA C -2.690 -0.169 7.778 1.00 . A A . 1 ARG CA 1 1 10 3315 1 1 1 ARG CB C -4.136 0.113 8.189 1.00 . A A . 1 ARG CB 1 1 10 3316 1 1 1 ARG CD C -5.012 -1.687 9.706 1.00 . A A . 1 ARG CD 1 1 10 3317 1 1 1 ARG CG C -4.995 -1.137 8.289 1.00 . A A . 1 ARG CG 1 1 10 3318 1 1 1 ARG CZ C -6.411 -3.173 11.087 1.00 . A A . 1 ARG CZ 1 1 10 3319 1 1 1 ARG H1 H -0.859 0.752 7.957 1.00 . A A . 1 ARG H1 1 1 10 3320 1 1 1 ARG H2 H -1.920 1.004 9.282 1.00 . A A . 1 ARG H2 1 1 10 3321 1 1 1 ARG H3 H -2.186 1.825 7.799 1.00 . A A . 1 ARG H3 1 1 10 3322 1 1 1 ARG HA H -2.355 -1.078 8.257 1.00 . A A . 1 ARG HA 1 1 10 3323 1 1 1 ARG HB2 H -4.136 0.603 9.151 1.00 . A A . 1 ARG HB2 1 1 10 3324 1 1 1 ARG HB3 H -4.583 0.773 7.459 1.00 . A A . 1 ARG HB3 1 1 10 3325 1 1 1 ARG HD2 H -4.149 -2.320 9.843 1.00 . A A . 1 ARG HD2 1 1 10 3326 1 1 1 ARG HD3 H -4.966 -0.861 10.400 1.00 . A A . 1 ARG HD3 1 1 10 3327 1 1 1 ARG HE H -6.922 -2.462 9.293 1.00 . A A . 1 ARG HE 1 1 10 3328 1 1 1 ARG HG2 H -6.006 -0.892 7.996 1.00 . A A . 1 ARG HG2 1 1 10 3329 1 1 1 ARG HG3 H -4.597 -1.889 7.624 1.00 . A A . 1 ARG HG3 1 1 10 3330 1 1 1 ARG HH11 H -4.629 -2.691 11.915 1.00 . A A . 1 ARG HH11 1 1 10 3331 1 1 1 ARG HH12 H -5.632 -3.735 12.866 1.00 . A A . 1 ARG HH12 1 1 10 3332 1 1 1 ARG HH21 H -8.241 -3.835 10.543 1.00 . A A . 1 ARG HH21 1 1 10 3333 1 1 1 ARG HH22 H -7.681 -4.385 12.088 1.00 . A A . 1 ARG HH22 1 1 10 3334 1 1 1 ARG N N -1.837 0.954 8.245 1.00 . A A . 1 ARG N 1 1 10 3335 1 1 1 ARG NE N -6.218 -2.466 9.976 1.00 . A A . 1 ARG NE 1 1 10 3336 1 1 1 ARG NH1 N -5.481 -3.201 12.034 1.00 . A A . 1 ARG NH1 1 1 10 3337 1 1 1 ARG NH2 N -7.537 -3.854 11.253 1.00 . A A . 1 ARG NH2 1 1 10 3338 1 1 1 ARG O O -2.653 0.635 5.516 1.00 . A A . 1 ARG O 1 1 10 3339 1 1 2 VAL C C -3.713 -2.249 3.816 1.00 . A A . 2 VAL C 1 1 10 3340 1 1 2 VAL CA C -2.350 -1.883 4.400 1.00 . A A . 2 VAL CA 1 1 10 3341 1 1 2 VAL CB C -1.354 -3.033 4.138 1.00 . A A . 2 VAL CB 1 1 10 3342 1 1 2 VAL CG1 C -1.815 -4.313 4.820 1.00 . A A . 2 VAL CG1 1 1 10 3343 1 1 2 VAL CG2 C -1.163 -3.250 2.643 1.00 . A A . 2 VAL CG2 1 1 10 3344 1 1 2 VAL H H -2.413 -2.320 6.469 1.00 . A A . 2 VAL H 1 1 10 3345 1 1 2 VAL HA H -1.983 -0.998 3.901 1.00 . A A . 2 VAL HA 1 1 10 3346 1 1 2 VAL HB H -0.399 -2.754 4.561 1.00 . A A . 2 VAL HB 1 1 10 3347 1 1 2 VAL HG11 H -1.531 -4.289 5.861 1.00 . A A . 2 VAL HG11 1 1 10 3348 1 1 2 VAL HG12 H -1.354 -5.163 4.341 1.00 . A A . 2 VAL HG12 1 1 10 3349 1 1 2 VAL HG13 H -2.889 -4.396 4.743 1.00 . A A . 2 VAL HG13 1 1 10 3350 1 1 2 VAL HG21 H -1.917 -2.701 2.098 1.00 . A A . 2 VAL HG21 1 1 10 3351 1 1 2 VAL HG22 H -1.252 -4.303 2.417 1.00 . A A . 2 VAL HG22 1 1 10 3352 1 1 2 VAL HG23 H -0.183 -2.903 2.351 1.00 . A A . 2 VAL HG23 1 1 10 3353 1 1 2 VAL N N -2.451 -1.585 5.823 1.00 . A A . 2 VAL N 1 1 10 3354 1 1 2 VAL O O -3.849 -3.236 3.092 1.00 . A A . 2 VAL O 1 1 10 3355 1 1 3 ILE C C -6.614 -0.451 2.921 1.00 . A A . 3 ILE C 1 1 10 3356 1 1 3 ILE CA C -6.074 -1.680 3.648 1.00 . A A . 3 ILE CA 1 1 10 3357 1 1 3 ILE CB C -7.030 -2.057 4.799 1.00 . A A . 3 ILE CB 1 1 10 3358 1 1 3 ILE CD1 C -9.094 -3.519 5.091 1.00 . A A . 3 ILE CD1 1 1 10 3359 1 1 3 ILE CG1 C -8.393 -2.476 4.246 1.00 . A A . 3 ILE CG1 1 1 10 3360 1 1 3 ILE CG2 C -7.179 -0.897 5.773 1.00 . A A . 3 ILE CG2 1 1 10 3361 1 1 3 ILE H H -4.551 -0.674 4.720 1.00 . A A . 3 ILE H 1 1 10 3362 1 1 3 ILE HA H -6.036 -2.508 2.954 1.00 . A A . 3 ILE HA 1 1 10 3363 1 1 3 ILE HB H -6.598 -2.888 5.336 1.00 . A A . 3 ILE HB 1 1 10 3364 1 1 3 ILE HD11 H -9.858 -3.043 5.688 1.00 . A A . 3 ILE HD11 1 1 10 3365 1 1 3 ILE HD12 H -8.375 -3.997 5.740 1.00 . A A . 3 ILE HD12 1 1 10 3366 1 1 3 ILE HD13 H -9.546 -4.258 4.448 1.00 . A A . 3 ILE HD13 1 1 10 3367 1 1 3 ILE HG12 H -9.035 -1.610 4.192 1.00 . A A . 3 ILE HG12 1 1 10 3368 1 1 3 ILE HG13 H -8.262 -2.885 3.255 1.00 . A A . 3 ILE HG13 1 1 10 3369 1 1 3 ILE HG21 H -6.206 -0.483 5.992 1.00 . A A . 3 ILE HG21 1 1 10 3370 1 1 3 ILE HG22 H -7.634 -1.251 6.687 1.00 . A A . 3 ILE HG22 1 1 10 3371 1 1 3 ILE HG23 H -7.804 -0.134 5.332 1.00 . A A . 3 ILE HG23 1 1 10 3372 1 1 3 ILE N N -4.720 -1.445 4.138 1.00 . A A . 3 ILE N 1 1 10 3373 1 1 3 ILE O O -7.817 -0.193 2.921 1.00 . A A . 3 ILE O 1 1 10 3374 1 1 4 ALA C C -5.889 1.332 0.071 1.00 . A A . 4 ALA C 1 1 10 3375 1 1 4 ALA CA C -6.097 1.508 1.572 1.00 . A A . 4 ALA CA 1 1 10 3376 1 1 4 ALA CB C -5.309 2.707 2.079 1.00 . A A . 4 ALA CB 1 1 10 3377 1 1 4 ALA H H -4.768 0.050 2.338 1.00 . A A . 4 ALA H 1 1 10 3378 1 1 4 ALA HA H -7.145 1.692 1.760 1.00 . A A . 4 ALA HA 1 1 10 3379 1 1 4 ALA HB1 H -4.356 2.373 2.464 1.00 . A A . 4 ALA HB1 1 1 10 3380 1 1 4 ALA HB2 H -5.865 3.197 2.864 1.00 . A A . 4 ALA HB2 1 1 10 3381 1 1 4 ALA HB3 H -5.146 3.400 1.266 1.00 . A A . 4 ALA HB3 1 1 10 3382 1 1 4 ALA N N -5.713 0.306 2.302 1.00 . A A . 4 ALA N 1 1 10 3383 1 1 4 ALA O O -6.606 1.919 -0.739 1.00 . A A . 4 ALA O 1 1 10 3384 1 1 5 CYS C C -5.812 -0.309 -2.423 1.00 . A A . 5 CYS C 1 1 10 3385 1 1 5 CYS CA C -4.599 0.267 -1.698 1.00 . A A . 5 CYS CA 1 1 10 3386 1 1 5 CYS CB C -3.414 -0.692 -1.823 1.00 . A A . 5 CYS CB 1 1 10 3387 1 1 5 CYS H H -4.364 0.079 0.397 1.00 . A A . 5 CYS H 1 1 10 3388 1 1 5 CYS HA H -4.337 1.210 -2.155 1.00 . A A . 5 CYS HA 1 1 10 3389 1 1 5 CYS HB2 H -2.710 -0.487 -1.030 1.00 . A A . 5 CYS HB2 1 1 10 3390 1 1 5 CYS HB3 H -3.769 -1.707 -1.727 1.00 . A A . 5 CYS HB3 1 1 10 3391 1 1 5 CYS N N -4.901 0.519 -0.294 1.00 . A A . 5 CYS N 1 1 10 3392 1 1 5 CYS O O -6.736 -0.826 -1.794 1.00 . A A . 5 CYS O 1 1 10 3393 1 1 5 CYS SG S -2.518 -0.565 -3.405 1.00 . A A . 5 CYS SG 1 1 10 3394 1 1 6 PHE C C -6.411 -1.796 -5.532 1.00 . A A . 6 PHE C 1 1 10 3395 1 1 6 PHE CA C -6.902 -0.728 -4.560 1.00 . A A . 6 PHE CA 1 1 10 3396 1 1 6 PHE CB C -7.569 0.413 -5.331 1.00 . A A . 6 PHE CB 1 1 10 3397 1 1 6 PHE CD1 C -5.886 2.273 -5.309 1.00 . A A . 6 PHE CD1 1 1 10 3398 1 1 6 PHE CD2 C -6.381 1.219 -7.390 1.00 . A A . 6 PHE CD2 1 1 10 3399 1 1 6 PHE CE1 C -4.987 3.110 -5.944 1.00 . A A . 6 PHE CE1 1 1 10 3400 1 1 6 PHE CE2 C -5.483 2.052 -8.030 1.00 . A A . 6 PHE CE2 1 1 10 3401 1 1 6 PHE CG C -6.592 1.320 -6.024 1.00 . A A . 6 PHE CG 1 1 10 3402 1 1 6 PHE CZ C -4.785 2.999 -7.305 1.00 . A A . 6 PHE CZ 1 1 10 3403 1 1 6 PHE H H -5.038 0.206 -4.193 1.00 . A A . 6 PHE H 1 1 10 3404 1 1 6 PHE HA H -7.628 -1.171 -3.893 1.00 . A A . 6 PHE HA 1 1 10 3405 1 1 6 PHE HB2 H -8.224 -0.004 -6.082 1.00 . A A . 6 PHE HB2 1 1 10 3406 1 1 6 PHE HB3 H -8.150 1.010 -4.645 1.00 . A A . 6 PHE HB3 1 1 10 3407 1 1 6 PHE HD1 H -6.042 2.361 -4.244 1.00 . A A . 6 PHE HD1 1 1 10 3408 1 1 6 PHE HD2 H -6.927 0.479 -7.957 1.00 . A A . 6 PHE HD2 1 1 10 3409 1 1 6 PHE HE1 H -4.442 3.849 -5.375 1.00 . A A . 6 PHE HE1 1 1 10 3410 1 1 6 PHE HE2 H -5.328 1.963 -9.095 1.00 . A A . 6 PHE HE2 1 1 10 3411 1 1 6 PHE HZ H -4.083 3.651 -7.804 1.00 . A A . 6 PHE HZ 1 1 10 3412 1 1 6 PHE N N -5.803 -0.217 -3.749 1.00 . A A . 6 PHE N 1 1 10 3413 1 1 6 PHE O O -6.906 -1.902 -6.654 1.00 . A A . 6 PHE O 1 1 10 3414 1 1 7 LEU C C -4.816 -4.962 -5.159 1.00 . A A . 7 LEU C 1 1 10 3415 1 1 7 LEU CA C -4.878 -3.645 -5.925 1.00 . A A . 7 LEU CA 1 1 10 3416 1 1 7 LEU CB C -3.481 -3.258 -6.413 1.00 . A A . 7 LEU CB 1 1 10 3417 1 1 7 LEU CD1 C -1.874 -1.375 -6.808 1.00 . A A . 7 LEU CD1 1 1 10 3418 1 1 7 LEU CD2 C -3.894 -1.617 -8.261 1.00 . A A . 7 LEU CD2 1 1 10 3419 1 1 7 LEU CG C -3.332 -1.803 -6.860 1.00 . A A . 7 LEU CG 1 1 10 3420 1 1 7 LEU H H -5.083 -2.451 -4.189 1.00 . A A . 7 LEU H 1 1 10 3421 1 1 7 LEU HA H -5.527 -3.771 -6.781 1.00 . A A . 7 LEU HA 1 1 10 3422 1 1 7 LEU HB2 H -2.781 -3.440 -5.612 1.00 . A A . 7 LEU HB2 1 1 10 3423 1 1 7 LEU HB3 H -3.224 -3.894 -7.245 1.00 . A A . 7 LEU HB3 1 1 10 3424 1 1 7 LEU HD11 H -1.528 -1.403 -5.785 1.00 . A A . 7 LEU HD11 1 1 10 3425 1 1 7 LEU HD12 H -1.779 -0.371 -7.193 1.00 . A A . 7 LEU HD12 1 1 10 3426 1 1 7 LEU HD13 H -1.280 -2.048 -7.407 1.00 . A A . 7 LEU HD13 1 1 10 3427 1 1 7 LEU HD21 H -4.243 -0.601 -8.378 1.00 . A A . 7 LEU HD21 1 1 10 3428 1 1 7 LEU HD22 H -4.718 -2.299 -8.413 1.00 . A A . 7 LEU HD22 1 1 10 3429 1 1 7 LEU HD23 H -3.123 -1.819 -8.989 1.00 . A A . 7 LEU HD23 1 1 10 3430 1 1 7 LEU HG H -3.891 -1.167 -6.188 1.00 . A A . 7 LEU HG 1 1 10 3431 1 1 7 LEU N N -5.437 -2.586 -5.093 1.00 . A A . 7 LEU N 1 1 10 3432 1 1 7 LEU O O -4.929 -4.985 -3.934 1.00 . A A . 7 LEU O 1 1 10 3433 1 1 8 LYS C C -3.117 -7.715 -4.894 1.00 . A A . 8 LYS C 1 1 10 3434 1 1 8 LYS CA C -4.554 -7.379 -5.279 1.00 . A A . 8 LYS CA 1 1 10 3435 1 1 8 LYS CB C -5.098 -8.440 -6.237 1.00 . A A . 8 LYS CB 1 1 10 3436 1 1 8 LYS CD C -7.100 -9.630 -7.179 1.00 . A A . 8 LYS CD 1 1 10 3437 1 1 8 LYS CE C -7.004 -9.172 -8.625 1.00 . A A . 8 LYS CE 1 1 10 3438 1 1 8 LYS CG C -6.614 -8.556 -6.221 1.00 . A A . 8 LYS CG 1 1 10 3439 1 1 8 LYS H H -4.550 -5.976 -6.862 1.00 . A A . 8 LYS H 1 1 10 3440 1 1 8 LYS HA H -5.161 -7.369 -4.386 1.00 . A A . 8 LYS HA 1 1 10 3441 1 1 8 LYS HB2 H -4.789 -8.193 -7.242 1.00 . A A . 8 LYS HB2 1 1 10 3442 1 1 8 LYS HB3 H -4.682 -9.400 -5.968 1.00 . A A . 8 LYS HB3 1 1 10 3443 1 1 8 LYS HD2 H -6.494 -10.515 -7.052 1.00 . A A . 8 LYS HD2 1 1 10 3444 1 1 8 LYS HD3 H -8.131 -9.862 -6.953 1.00 . A A . 8 LYS HD3 1 1 10 3445 1 1 8 LYS HE2 H -6.247 -8.403 -8.697 1.00 . A A . 8 LYS HE2 1 1 10 3446 1 1 8 LYS HE3 H -6.718 -10.014 -9.239 1.00 . A A . 8 LYS HE3 1 1 10 3447 1 1 8 LYS HG2 H -6.935 -8.808 -5.222 1.00 . A A . 8 LYS HG2 1 1 10 3448 1 1 8 LYS HG3 H -7.040 -7.607 -6.510 1.00 . A A . 8 LYS HG3 1 1 10 3449 1 1 8 LYS HZ1 H -8.122 -7.903 -9.850 1.00 . A A . 8 LYS HZ1 1 1 10 3450 1 1 8 LYS HZ2 H -8.826 -8.192 -8.341 1.00 . A A . 8 LYS HZ2 1 1 10 3451 1 1 8 LYS HZ3 H -8.870 -9.387 -9.537 1.00 . A A . 8 LYS HZ3 1 1 10 3452 1 1 8 LYS N N -4.633 -6.057 -5.889 1.00 . A A . 8 LYS N 1 1 10 3453 1 1 8 LYS NZ N -8.296 -8.625 -9.123 1.00 . A A . 8 LYS NZ 1 1 10 3454 1 1 8 LYS O O -2.820 -7.968 -3.726 1.00 . A A . 8 LYS O 1 1 10 3455 1 1 9 VAL C C -0.200 -7.027 -4.672 1.00 . A A . 9 VAL C 1 1 10 3456 1 1 9 VAL CA C -0.824 -8.020 -5.647 1.00 . A A . 9 VAL CA 1 1 10 3457 1 1 9 VAL CB C -0.020 -8.011 -6.964 1.00 . A A . 9 VAL CB 1 1 10 3458 1 1 9 VAL CG1 C -0.066 -6.635 -7.613 1.00 . A A . 9 VAL CG1 1 1 10 3459 1 1 9 VAL CG2 C 1.417 -8.445 -6.717 1.00 . A A . 9 VAL CG2 1 1 10 3460 1 1 9 VAL H H -2.528 -7.506 -6.792 1.00 . A A . 9 VAL H 1 1 10 3461 1 1 9 VAL HA H -0.765 -9.011 -5.222 1.00 . A A . 9 VAL HA 1 1 10 3462 1 1 9 VAL HB H -0.474 -8.718 -7.643 1.00 . A A . 9 VAL HB 1 1 10 3463 1 1 9 VAL HG11 H -0.997 -6.149 -7.358 1.00 . A A . 9 VAL HG11 1 1 10 3464 1 1 9 VAL HG12 H 0.003 -6.741 -8.685 1.00 . A A . 9 VAL HG12 1 1 10 3465 1 1 9 VAL HG13 H 0.760 -6.041 -7.255 1.00 . A A . 9 VAL HG13 1 1 10 3466 1 1 9 VAL HG21 H 1.967 -8.413 -7.646 1.00 . A A . 9 VAL HG21 1 1 10 3467 1 1 9 VAL HG22 H 1.427 -9.452 -6.328 1.00 . A A . 9 VAL HG22 1 1 10 3468 1 1 9 VAL HG23 H 1.878 -7.777 -6.004 1.00 . A A . 9 VAL HG23 1 1 10 3469 1 1 9 VAL N N -2.230 -7.716 -5.883 1.00 . A A . 9 VAL N 1 1 10 3470 1 1 9 VAL O O 0.756 -7.351 -3.967 1.00 . A A . 9 VAL O 1 1 10 3471 1 1 10 CYS C C -0.930 -4.840 -2.385 1.00 . A A . 10 CYS C 1 1 10 3472 1 1 10 CYS CA C -0.243 -4.775 -3.745 1.00 . A A . 10 CYS CA 1 1 10 3473 1 1 10 CYS CB C -0.451 -3.394 -4.370 1.00 . A A . 10 CYS CB 1 1 10 3474 1 1 10 CYS H H -1.506 -5.615 -5.221 1.00 . A A . 10 CYS H 1 1 10 3475 1 1 10 CYS HA H 0.816 -4.941 -3.609 1.00 . A A . 10 CYS HA 1 1 10 3476 1 1 10 CYS HB2 H -0.436 -3.489 -5.445 1.00 . A A . 10 CYS HB2 1 1 10 3477 1 1 10 CYS HB3 H -1.413 -3.010 -4.062 1.00 . A A . 10 CYS HB3 1 1 10 3478 1 1 10 CYS N N -0.747 -5.815 -4.635 1.00 . A A . 10 CYS N 1 1 10 3479 1 1 10 CYS O O -0.294 -5.124 -1.370 1.00 . A A . 10 CYS O 1 1 10 3480 1 1 10 CYS SG S 0.813 -2.168 -3.904 1.00 . A A . 10 CYS SG 1 1 10 3481 1 1 11 ALA C C -3.041 -6.000 -0.538 1.00 . A A . 11 ALA C 1 1 10 3482 1 1 11 ALA CA C -3.005 -4.598 -1.137 1.00 . A A . 11 ALA CA 1 1 10 3483 1 1 11 ALA CB C -4.418 -4.095 -1.389 1.00 . A A . 11 ALA CB 1 1 10 3484 1 1 11 ALA H H -2.682 -4.350 -3.214 1.00 . A A . 11 ALA H 1 1 10 3485 1 1 11 ALA HA H -2.531 -3.930 -0.433 1.00 . A A . 11 ALA HA 1 1 10 3486 1 1 11 ALA HB1 H -4.738 -3.486 -0.555 1.00 . A A . 11 ALA HB1 1 1 10 3487 1 1 11 ALA HB2 H -5.086 -4.936 -1.499 1.00 . A A . 11 ALA HB2 1 1 10 3488 1 1 11 ALA HB3 H -4.434 -3.502 -2.292 1.00 . A A . 11 ALA HB3 1 1 10 3489 1 1 11 ALA N N -2.232 -4.572 -2.372 1.00 . A A . 11 ALA N 1 1 10 3490 1 1 11 ALA O O -2.812 -6.181 0.657 1.00 . A A . 11 ALA O 1 1 10 3491 1 1 12 ALA C C -2.022 -9.046 -0.949 1.00 . A A . 12 ALA C 1 1 10 3492 1 1 12 ALA CA C -3.397 -8.379 -0.934 1.00 . A A . 12 ALA CA 1 1 10 3493 1 1 12 ALA CB C -4.370 -9.161 -1.803 1.00 . A A . 12 ALA CB 1 1 10 3494 1 1 12 ALA H H -3.503 -6.782 -2.320 1.00 . A A . 12 ALA H 1 1 10 3495 1 1 12 ALA HA H -3.775 -8.385 0.078 1.00 . A A . 12 ALA HA 1 1 10 3496 1 1 12 ALA HB1 H -3.825 -9.686 -2.573 1.00 . A A . 12 ALA HB1 1 1 10 3497 1 1 12 ALA HB2 H -5.072 -8.478 -2.261 1.00 . A A . 12 ALA HB2 1 1 10 3498 1 1 12 ALA HB3 H -4.908 -9.872 -1.193 1.00 . A A . 12 ALA HB3 1 1 10 3499 1 1 12 ALA N N -3.329 -6.990 -1.378 1.00 . A A . 12 ALA N 1 1 10 3500 1 1 12 ALA O O -1.907 -10.236 -1.243 1.00 . A A . 12 ALA O 1 1 10 3501 1 1 13 ALA C C 0.804 -9.209 0.801 1.00 . A A . 13 ALA C 1 1 10 3502 1 1 13 ALA CA C 0.377 -8.811 -0.610 1.00 . A A . 13 ALA CA 1 1 10 3503 1 1 13 ALA CB C 1.347 -7.793 -1.189 1.00 . A A . 13 ALA CB 1 1 10 3504 1 1 13 ALA H H -1.128 -7.341 -0.404 1.00 . A A . 13 ALA H 1 1 10 3505 1 1 13 ALA HA H 0.398 -9.688 -1.240 1.00 . A A . 13 ALA HA 1 1 10 3506 1 1 13 ALA HB1 H 1.888 -7.313 -0.387 1.00 . A A . 13 ALA HB1 1 1 10 3507 1 1 13 ALA HB2 H 0.798 -7.048 -1.748 1.00 . A A . 13 ALA HB2 1 1 10 3508 1 1 13 ALA HB3 H 2.045 -8.292 -1.847 1.00 . A A . 13 ALA HB3 1 1 10 3509 1 1 13 ALA N N -0.982 -8.281 -0.631 1.00 . A A . 13 ALA N 1 1 10 3510 1 1 13 ALA O O 1.914 -9.699 1.007 1.00 . A A . 13 ALA O 1 1 10 3511 1 1 14 ALA C C 1.473 -8.628 3.647 1.00 . A A . 14 ALA C 1 1 10 3512 1 1 14 ALA CA C 0.213 -9.336 3.161 1.00 . A A . 14 ALA CA 1 1 10 3513 1 1 14 ALA CB C 0.360 -10.843 3.314 1.00 . A A . 14 ALA CB 1 1 10 3514 1 1 14 ALA H H -0.951 -8.604 1.553 1.00 . A A . 14 ALA H 1 1 10 3515 1 1 14 ALA HA H -0.624 -9.016 3.766 1.00 . A A . 14 ALA HA 1 1 10 3516 1 1 14 ALA HB1 H 0.055 -11.135 4.309 1.00 . A A . 14 ALA HB1 1 1 10 3517 1 1 14 ALA HB2 H 1.391 -11.122 3.158 1.00 . A A . 14 ALA HB2 1 1 10 3518 1 1 14 ALA HB3 H -0.262 -11.342 2.586 1.00 . A A . 14 ALA HB3 1 1 10 3519 1 1 14 ALA N N -0.081 -8.997 1.773 1.00 . A A . 14 ALA N 1 1 10 3520 1 1 14 ALA O O 2.194 -9.140 4.503 1.00 . A A . 14 ALA O 1 1 10 3521 1 1 15 ASN C C 2.626 -5.172 3.361 1.00 . A A . 15 ASN C 1 1 10 3522 1 1 15 ASN CA C 2.906 -6.667 3.474 1.00 . A A . 15 ASN CA 1 1 10 3523 1 1 15 ASN CB C 4.099 -7.043 2.593 1.00 . A A . 15 ASN CB 1 1 10 3524 1 1 15 ASN CG C 5.415 -6.979 3.344 1.00 . A A . 15 ASN CG 1 1 10 3525 1 1 15 ASN H H 1.120 -7.090 2.418 1.00 . A A . 15 ASN H 1 1 10 3526 1 1 15 ASN HA H 3.141 -6.901 4.502 1.00 . A A . 15 ASN HA 1 1 10 3527 1 1 15 ASN HB2 H 3.964 -8.049 2.225 1.00 . A A . 15 ASN HB2 1 1 10 3528 1 1 15 ASN HB3 H 4.149 -6.361 1.756 1.00 . A A . 15 ASN HB3 1 1 10 3529 1 1 15 ASN HD21 H 6.401 -7.536 1.710 1.00 . A A . 15 ASN HD21 1 1 10 3530 1 1 15 ASN HD22 H 7.370 -7.256 3.113 1.00 . A A . 15 ASN HD22 1 1 10 3531 1 1 15 ASN N N 1.732 -7.446 3.096 1.00 . A A . 15 ASN N 1 1 10 3532 1 1 15 ASN ND2 N 6.505 -7.288 2.652 1.00 . A A . 15 ASN ND2 1 1 10 3533 1 1 15 ASN O O 2.440 -4.647 2.263 1.00 . A A . 15 ASN O 1 1 10 3534 1 1 15 ASN OD1 O 5.450 -6.657 4.531 1.00 . A A . 15 ASN OD1 1 1 10 3535 1 1 16 VAL C C 3.535 -2.273 4.008 1.00 . A A . 16 VAL C 1 1 10 3536 1 1 16 VAL CA C 2.337 -3.058 4.530 1.00 . A A . 16 VAL CA 1 1 10 3537 1 1 16 VAL CB C 2.003 -2.574 5.955 1.00 . A A . 16 VAL CB 1 1 10 3538 1 1 16 VAL CG1 C 1.508 -1.136 5.927 1.00 . A A . 16 VAL CG1 1 1 10 3539 1 1 16 VAL CG2 C 0.975 -3.488 6.604 1.00 . A A . 16 VAL CG2 1 1 10 3540 1 1 16 VAL H H 2.749 -4.967 5.345 1.00 . A A . 16 VAL H 1 1 10 3541 1 1 16 VAL HA H 1.485 -2.860 3.896 1.00 . A A . 16 VAL HA 1 1 10 3542 1 1 16 VAL HB H 2.908 -2.608 6.545 1.00 . A A . 16 VAL HB 1 1 10 3543 1 1 16 VAL HG11 H 0.909 -0.944 6.805 1.00 . A A . 16 VAL HG11 1 1 10 3544 1 1 16 VAL HG12 H 0.910 -0.977 5.042 1.00 . A A . 16 VAL HG12 1 1 10 3545 1 1 16 VAL HG13 H 2.355 -0.463 5.915 1.00 . A A . 16 VAL HG13 1 1 10 3546 1 1 16 VAL HG21 H 0.271 -2.895 7.169 1.00 . A A . 16 VAL HG21 1 1 10 3547 1 1 16 VAL HG22 H 1.476 -4.180 7.264 1.00 . A A . 16 VAL HG22 1 1 10 3548 1 1 16 VAL HG23 H 0.449 -4.039 5.838 1.00 . A A . 16 VAL HG23 1 1 10 3549 1 1 16 VAL N N 2.595 -4.493 4.503 1.00 . A A . 16 VAL N 1 1 10 3550 1 1 16 VAL O O 3.382 -1.331 3.231 1.00 . A A . 16 VAL O 1 1 10 3551 1 1 17 ALA C C 6.140 -2.104 2.508 1.00 . A A . 17 ALA C 1 1 10 3552 1 1 17 ALA CA C 5.952 -2.000 4.017 1.00 . A A . 17 ALA CA 1 1 10 3553 1 1 17 ALA CB C 7.153 -2.591 4.742 1.00 . A A . 17 ALA CB 1 1 10 3554 1 1 17 ALA H H 4.786 -3.425 5.060 1.00 . A A . 17 ALA H 1 1 10 3555 1 1 17 ALA HA H 5.875 -0.958 4.288 1.00 . A A . 17 ALA HA 1 1 10 3556 1 1 17 ALA HB1 H 7.386 -3.559 4.323 1.00 . A A . 17 ALA HB1 1 1 10 3557 1 1 17 ALA HB2 H 6.923 -2.697 5.791 1.00 . A A . 17 ALA HB2 1 1 10 3558 1 1 17 ALA HB3 H 8.003 -1.934 4.624 1.00 . A A . 17 ALA HB3 1 1 10 3559 1 1 17 ALA N N 4.728 -2.667 4.441 1.00 . A A . 17 ALA N 1 1 10 3560 1 1 17 ALA O O 6.437 -1.113 1.840 1.00 . A A . 17 ALA O 1 1 10 3561 1 1 18 ALA C C 5.183 -2.632 -0.257 1.00 . A A . 18 ALA C 1 1 10 3562 1 1 18 ALA CA C 6.109 -3.541 0.542 1.00 . A A . 18 ALA CA 1 1 10 3563 1 1 18 ALA CB C 5.834 -5.000 0.213 1.00 . A A . 18 ALA CB 1 1 10 3564 1 1 18 ALA H H 5.724 -4.059 2.558 1.00 . A A . 18 ALA H 1 1 10 3565 1 1 18 ALA HA H 7.132 -3.322 0.272 1.00 . A A . 18 ALA HA 1 1 10 3566 1 1 18 ALA HB1 H 6.190 -5.219 -0.783 1.00 . A A . 18 ALA HB1 1 1 10 3567 1 1 18 ALA HB2 H 4.771 -5.186 0.265 1.00 . A A . 18 ALA HB2 1 1 10 3568 1 1 18 ALA HB3 H 6.345 -5.631 0.925 1.00 . A A . 18 ALA HB3 1 1 10 3569 1 1 18 ALA N N 5.962 -3.309 1.974 1.00 . A A . 18 ALA N 1 1 10 3570 1 1 18 ALA O O 5.546 -2.142 -1.326 1.00 . A A . 18 ALA O 1 1 10 3571 1 1 19 HIS C C 3.376 -0.082 -0.234 1.00 . A A . 19 HIS C 1 1 10 3572 1 1 19 HIS CA C 3.003 -1.556 -0.390 1.00 . A A . 19 HIS CA 1 1 10 3573 1 1 19 HIS CB C 1.600 -1.823 0.181 1.00 . A A . 19 HIS CB 1 1 10 3574 1 1 19 HIS CD2 C 0.274 0.191 1.109 1.00 . A A . 19 HIS CD2 1 1 10 3575 1 1 19 HIS CE1 C -0.619 0.822 -0.771 1.00 . A A . 19 HIS CE1 1 1 10 3576 1 1 19 HIS CG C 0.675 -0.643 0.118 1.00 . A A . 19 HIS CG 1 1 10 3577 1 1 19 HIS H H 3.753 -2.827 1.127 1.00 . A A . 19 HIS H 1 1 10 3578 1 1 19 HIS HA H 3.006 -1.804 -1.441 1.00 . A A . 19 HIS HA 1 1 10 3579 1 1 19 HIS HB2 H 1.144 -2.629 -0.374 1.00 . A A . 19 HIS HB2 1 1 10 3580 1 1 19 HIS HB3 H 1.694 -2.117 1.217 1.00 . A A . 19 HIS HB3 1 1 10 3581 1 1 19 HIS HD2 H 0.559 0.147 2.146 1.00 . A A . 19 HIS HD2 1 1 10 3582 1 1 19 HIS HE1 H -1.164 1.394 -1.503 1.00 . A A . 19 HIS HE1 1 1 10 3583 1 1 19 HIS HE2 H -0.853 1.956 0.948 1.00 . A A . 19 HIS HE2 1 1 10 3584 1 1 19 HIS N N 3.983 -2.409 0.271 1.00 . A A . 19 HIS N 1 1 10 3585 1 1 19 HIS ND1 N 0.104 -0.237 -1.061 1.00 . A A . 19 HIS ND1 1 1 10 3586 1 1 19 HIS NE2 N -0.552 1.122 0.533 1.00 . A A . 19 HIS NE2 1 1 10 3587 1 1 19 HIS O O 3.588 0.622 -1.220 1.00 . A A . 19 HIS O 1 1 10 3588 1 1 20 MET C C 5.003 2.235 0.515 1.00 . A A . 20 MET C 1 1 10 3589 1 1 20 MET CA C 3.782 1.771 1.307 1.00 . A A . 20 MET CA 1 1 10 3590 1 1 20 MET CB C 4.036 1.948 2.804 1.00 . A A . 20 MET CB 1 1 10 3591 1 1 20 MET CE C 1.648 3.788 5.411 1.00 . A A . 20 MET CE 1 1 10 3592 1 1 20 MET CG C 2.764 1.975 3.637 1.00 . A A . 20 MET CG 1 1 10 3593 1 1 20 MET H H 3.261 -0.234 1.757 1.00 . A A . 20 MET H 1 1 10 3594 1 1 20 MET HA H 2.935 2.378 1.022 1.00 . A A . 20 MET HA 1 1 10 3595 1 1 20 MET HB2 H 4.651 1.133 3.153 1.00 . A A . 20 MET HB2 1 1 10 3596 1 1 20 MET HB3 H 4.563 2.877 2.960 1.00 . A A . 20 MET HB3 1 1 10 3597 1 1 20 MET HE1 H 0.820 3.295 5.897 1.00 . A A . 20 MET HE1 1 1 10 3598 1 1 20 MET HE2 H 1.349 4.102 4.421 1.00 . A A . 20 MET HE2 1 1 10 3599 1 1 20 MET HE3 H 1.942 4.652 5.989 1.00 . A A . 20 MET HE3 1 1 10 3600 1 1 20 MET HG2 H 2.030 2.582 3.128 1.00 . A A . 20 MET HG2 1 1 10 3601 1 1 20 MET HG3 H 2.393 0.966 3.734 1.00 . A A . 20 MET HG3 1 1 10 3602 1 1 20 MET N N 3.447 0.378 1.013 1.00 . A A . 20 MET N 1 1 10 3603 1 1 20 MET O O 5.008 3.331 -0.046 1.00 . A A . 20 MET O 1 1 10 3604 1 1 20 MET SD S 3.030 2.655 5.286 1.00 . A A . 20 MET SD 1 1 10 3605 1 1 21 THR C C 6.963 2.051 -1.717 1.00 . A A . 21 THR C 1 1 10 3606 1 1 21 THR CA C 7.259 1.737 -0.252 1.00 . A A . 21 THR CA 1 1 10 3607 1 1 21 THR CB C 8.267 0.589 -0.157 1.00 . A A . 21 THR CB 1 1 10 3608 1 1 21 THR CG2 C 7.808 -0.672 -0.856 1.00 . A A . 21 THR CG2 1 1 10 3609 1 1 21 THR H H 5.978 0.541 0.939 1.00 . A A . 21 THR H 1 1 10 3610 1 1 21 THR HA H 7.686 2.615 0.211 1.00 . A A . 21 THR HA 1 1 10 3611 1 1 21 THR HB H 8.426 0.350 0.885 1.00 . A A . 21 THR HB 1 1 10 3612 1 1 21 THR HG1 H 10.132 0.239 -0.637 1.00 . A A . 21 THR HG1 1 1 10 3613 1 1 21 THR HG21 H 8.626 -1.086 -1.427 1.00 . A A . 21 THR HG21 1 1 10 3614 1 1 21 THR HG22 H 6.988 -0.439 -1.519 1.00 . A A . 21 THR HG22 1 1 10 3615 1 1 21 THR HG23 H 7.483 -1.394 -0.121 1.00 . A A . 21 THR HG23 1 1 10 3616 1 1 21 THR N N 6.037 1.401 0.473 1.00 . A A . 21 THR N 1 1 10 3617 1 1 21 THR O O 7.720 2.763 -2.376 1.00 . A A . 21 THR O 1 1 10 3618 1 1 21 THR OG1 O 9.510 0.964 -0.721 1.00 . A A . 21 THR OG1 1 1 10 3619 1 1 22 HIS C C 4.109 2.455 -3.677 1.00 . A A . 22 HIS C 1 1 10 3620 1 1 22 HIS CA C 5.454 1.727 -3.602 1.00 . A A . 22 HIS CA 1 1 10 3621 1 1 22 HIS CB C 5.390 0.373 -4.336 1.00 . A A . 22 HIS CB 1 1 10 3622 1 1 22 HIS CD2 C 2.821 0.066 -4.680 1.00 . A A . 22 HIS CD2 1 1 10 3623 1 1 22 HIS CE1 C 2.841 -0.311 -6.841 1.00 . A A . 22 HIS CE1 1 1 10 3624 1 1 22 HIS CG C 4.115 0.116 -5.094 1.00 . A A . 22 HIS CG 1 1 10 3625 1 1 22 HIS H H 5.296 0.955 -1.650 1.00 . A A . 22 HIS H 1 1 10 3626 1 1 22 HIS HA H 6.203 2.340 -4.064 1.00 . A A . 22 HIS HA 1 1 10 3627 1 1 22 HIS HB2 H 6.204 0.322 -5.042 1.00 . A A . 22 HIS HB2 1 1 10 3628 1 1 22 HIS HB3 H 5.508 -0.420 -3.610 1.00 . A A . 22 HIS HB3 1 1 10 3629 1 1 22 HIS HD1 H 4.871 -0.155 -7.041 1.00 . A A . 22 HIS HD1 1 1 10 3630 1 1 22 HIS HD2 H 2.456 0.217 -3.666 1.00 . A A . 22 HIS HD2 1 1 10 3631 1 1 22 HIS HE1 H 2.519 -0.519 -7.850 1.00 . A A . 22 HIS HE1 1 1 10 3632 1 1 22 HIS HE2 H 1.075 -0.224 -5.809 1.00 . A A . 22 HIS HE2 1 1 10 3633 1 1 22 HIS N N 5.856 1.512 -2.220 1.00 . A A . 22 HIS N 1 1 10 3634 1 1 22 HIS ND1 N 4.090 -0.125 -6.451 1.00 . A A . 22 HIS ND1 1 1 10 3635 1 1 22 HIS NE2 N 2.054 -0.201 -5.788 1.00 . A A . 22 HIS NE2 1 1 10 3636 1 1 22 HIS O O 3.555 2.650 -4.759 1.00 . A A . 22 HIS O 1 1 10 3637 1 1 23 CYS C C 2.291 4.571 -1.366 1.00 . A A . 23 CYS C 1 1 10 3638 1 1 23 CYS CA C 2.299 3.507 -2.460 1.00 . A A . 23 CYS CA 1 1 10 3639 1 1 23 CYS CB C 1.223 2.463 -2.175 1.00 . A A . 23 CYS CB 1 1 10 3640 1 1 23 CYS H H 4.053 2.645 -1.693 1.00 . A A . 23 CYS H 1 1 10 3641 1 1 23 CYS HA H 2.105 3.969 -3.416 1.00 . A A . 23 CYS HA 1 1 10 3642 1 1 23 CYS HB2 H 1.681 1.628 -1.667 1.00 . A A . 23 CYS HB2 1 1 10 3643 1 1 23 CYS HB3 H 0.480 2.895 -1.529 1.00 . A A . 23 CYS HB3 1 1 10 3644 1 1 23 CYS N N 3.582 2.838 -2.524 1.00 . A A . 23 CYS N 1 1 10 3645 1 1 23 CYS O O 1.815 4.332 -0.256 1.00 . A A . 23 CYS O 1 1 10 3646 1 1 23 CYS SG S 0.381 1.800 -3.653 1.00 . A A . 23 CYS SG 1 1 10 3647 1 1 24 ALA C C 1.618 7.700 -0.806 1.00 . A A . 24 ALA C 1 1 10 3648 1 1 24 ALA CA C 2.879 6.846 -0.733 1.00 . A A . 24 ALA CA 1 1 10 3649 1 1 24 ALA CB C 4.112 7.699 -0.984 1.00 . A A . 24 ALA CB 1 1 10 3650 1 1 24 ALA H H 3.188 5.875 -2.588 1.00 . A A . 24 ALA H 1 1 10 3651 1 1 24 ALA HA H 2.958 6.423 0.258 1.00 . A A . 24 ALA HA 1 1 10 3652 1 1 24 ALA HB1 H 5.000 7.110 -0.810 1.00 . A A . 24 ALA HB1 1 1 10 3653 1 1 24 ALA HB2 H 4.106 8.547 -0.316 1.00 . A A . 24 ALA HB2 1 1 10 3654 1 1 24 ALA HB3 H 4.107 8.048 -2.007 1.00 . A A . 24 ALA HB3 1 1 10 3655 1 1 24 ALA N N 2.824 5.745 -1.688 1.00 . A A . 24 ALA N 1 1 10 3656 1 1 24 ALA O O 0.800 7.541 -1.711 1.00 . A A . 24 ALA O 1 1 10 3657 1 1 25 LYS C C 0.693 10.873 0.707 1.00 . A A . 25 LYS C 1 1 10 3658 1 1 25 LYS CA C 0.307 9.488 0.197 1.00 . A A . 25 LYS CA 1 1 10 3659 1 1 25 LYS CB C -0.781 8.887 1.091 1.00 . A A . 25 LYS CB 1 1 10 3660 1 1 25 LYS CD C -2.278 10.684 2.010 1.00 . A A . 25 LYS CD 1 1 10 3661 1 1 25 LYS CE C -2.821 10.134 3.320 1.00 . A A . 25 LYS CE 1 1 10 3662 1 1 25 LYS CG C -2.124 9.587 0.968 1.00 . A A . 25 LYS CG 1 1 10 3663 1 1 25 LYS H H 2.155 8.686 0.848 1.00 . A A . 25 LYS H 1 1 10 3664 1 1 25 LYS HA H -0.077 9.581 -0.807 1.00 . A A . 25 LYS HA 1 1 10 3665 1 1 25 LYS HB2 H -0.914 7.849 0.827 1.00 . A A . 25 LYS HB2 1 1 10 3666 1 1 25 LYS HB3 H -0.459 8.949 2.120 1.00 . A A . 25 LYS HB3 1 1 10 3667 1 1 25 LYS HD2 H -1.313 11.132 2.193 1.00 . A A . 25 LYS HD2 1 1 10 3668 1 1 25 LYS HD3 H -2.960 11.431 1.633 1.00 . A A . 25 LYS HD3 1 1 10 3669 1 1 25 LYS HE2 H -3.341 9.209 3.119 1.00 . A A . 25 LYS HE2 1 1 10 3670 1 1 25 LYS HE3 H -1.992 9.942 3.985 1.00 . A A . 25 LYS HE3 1 1 10 3671 1 1 25 LYS HG2 H -2.201 10.027 -0.015 1.00 . A A . 25 LYS HG2 1 1 10 3672 1 1 25 LYS HG3 H -2.911 8.860 1.103 1.00 . A A . 25 LYS HG3 1 1 10 3673 1 1 25 LYS HZ1 H -4.476 10.564 4.520 1.00 . A A . 25 LYS HZ1 1 1 10 3674 1 1 25 LYS HZ2 H -4.241 11.665 3.257 1.00 . A A . 25 LYS HZ2 1 1 10 3675 1 1 25 LYS HZ3 H -3.238 11.715 4.620 1.00 . A A . 25 LYS HZ3 1 1 10 3676 1 1 25 LYS N N 1.468 8.607 0.153 1.00 . A A . 25 LYS N 1 1 10 3677 1 1 25 LYS NZ N -3.759 11.086 3.975 1.00 . A A . 25 LYS NZ 1 1 10 3678 1 1 25 LYS O O 0.204 11.870 0.136 1.00 . A A . 25 LYS O 1 1 10 3679 1 1 25 LYS OXT O 1.479 10.947 1.675 1.00 . A A . 25 LYS OXT 1 1 10 3680 2 2 1 ZN ZN ZN -0.260 -0.336 -3.013 1.00 . B A . 26 ZN ZN 1 1 11 3681 1 1 1 ARG C C -2.654 -0.437 6.228 1.00 . A A . 1 ARG C 1 1 11 3682 1 1 1 ARG CA C -2.725 -0.273 7.744 1.00 . A A . 1 ARG CA 1 1 11 3683 1 1 1 ARG CB C -4.182 -0.155 8.195 1.00 . A A . 1 ARG CB 1 1 11 3684 1 1 1 ARG CD C -5.676 -0.990 10.034 1.00 . A A . 1 ARG CD 1 1 11 3685 1 1 1 ARG CG C -4.367 -0.296 9.696 1.00 . A A . 1 ARG CG 1 1 11 3686 1 1 1 ARG CZ C -6.449 -2.690 11.641 1.00 . A A . 1 ARG CZ 1 1 11 3687 1 1 1 ARG H1 H -1.004 0.847 7.879 1.00 . A A . 1 ARG H1 1 1 11 3688 1 1 1 ARG H2 H -2.060 0.992 9.224 1.00 . A A . 1 ARG H2 1 1 11 3689 1 1 1 ARG H3 H -2.445 1.766 7.741 1.00 . A A . 1 ARG H3 1 1 11 3690 1 1 1 ARG HA H -2.276 -1.135 8.213 1.00 . A A . 1 ARG HA 1 1 11 3691 1 1 1 ARG HB2 H -4.562 0.810 7.895 1.00 . A A . 1 ARG HB2 1 1 11 3692 1 1 1 ARG HB3 H -4.761 -0.926 7.709 1.00 . A A . 1 ARG HB3 1 1 11 3693 1 1 1 ARG HD2 H -6.453 -0.245 10.116 1.00 . A A . 1 ARG HD2 1 1 11 3694 1 1 1 ARG HD3 H -5.920 -1.677 9.236 1.00 . A A . 1 ARG HD3 1 1 11 3695 1 1 1 ARG HE H -4.868 -1.501 11.905 1.00 . A A . 1 ARG HE 1 1 11 3696 1 1 1 ARG HG2 H -3.550 -0.877 10.097 1.00 . A A . 1 ARG HG2 1 1 11 3697 1 1 1 ARG HG3 H -4.365 0.688 10.143 1.00 . A A . 1 ARG HG3 1 1 11 3698 1 1 1 ARG HH11 H -7.563 -2.562 9.958 1.00 . A A . 1 ARG HH11 1 1 11 3699 1 1 1 ARG HH12 H -8.084 -3.750 11.105 1.00 . A A . 1 ARG HH12 1 1 11 3700 1 1 1 ARG HH21 H -5.554 -3.062 13.415 1.00 . A A . 1 ARG HH21 1 1 11 3701 1 1 1 ARG HH22 H -6.945 -4.034 13.067 1.00 . A A . 1 ARG HH22 1 1 11 3702 1 1 1 ARG N N -1.992 0.942 8.186 1.00 . A A . 1 ARG N 1 1 11 3703 1 1 1 ARG NE N -5.596 -1.730 11.291 1.00 . A A . 1 ARG NE 1 1 11 3704 1 1 1 ARG NH1 N -7.447 -3.028 10.835 1.00 . A A . 1 ARG NH1 1 1 11 3705 1 1 1 ARG NH2 N -6.304 -3.313 12.803 1.00 . A A . 1 ARG NH2 1 1 11 3706 1 1 1 ARG O O -2.766 0.535 5.483 1.00 . A A . 1 ARG O 1 1 11 3707 1 1 2 VAL C C -3.741 -2.394 3.802 1.00 . A A . 2 VAL C 1 1 11 3708 1 1 2 VAL CA C -2.383 -1.967 4.356 1.00 . A A . 2 VAL CA 1 1 11 3709 1 1 2 VAL CB C -1.344 -3.071 4.071 1.00 . A A . 2 VAL CB 1 1 11 3710 1 1 2 VAL CG1 C -1.728 -4.366 4.770 1.00 . A A . 2 VAL CG1 1 1 11 3711 1 1 2 VAL CG2 C -1.186 -3.288 2.572 1.00 . A A . 2 VAL CG2 1 1 11 3712 1 1 2 VAL H H -2.387 -2.410 6.426 1.00 . A A . 2 VAL H 1 1 11 3713 1 1 2 VAL HA H -2.068 -1.066 3.851 1.00 . A A . 2 VAL HA 1 1 11 3714 1 1 2 VAL HB H -0.391 -2.746 4.466 1.00 . A A . 2 VAL HB 1 1 11 3715 1 1 2 VAL HG11 H -1.193 -4.443 5.705 1.00 . A A . 2 VAL HG11 1 1 11 3716 1 1 2 VAL HG12 H -1.473 -5.205 4.140 1.00 . A A . 2 VAL HG12 1 1 11 3717 1 1 2 VAL HG13 H -2.791 -4.370 4.963 1.00 . A A . 2 VAL HG13 1 1 11 3718 1 1 2 VAL HG21 H -2.015 -2.830 2.052 1.00 . A A . 2 VAL HG21 1 1 11 3719 1 1 2 VAL HG22 H -1.169 -4.346 2.360 1.00 . A A . 2 VAL HG22 1 1 11 3720 1 1 2 VAL HG23 H -0.261 -2.840 2.238 1.00 . A A . 2 VAL HG23 1 1 11 3721 1 1 2 VAL N N -2.468 -1.676 5.781 1.00 . A A . 2 VAL N 1 1 11 3722 1 1 2 VAL O O -3.862 -3.437 3.158 1.00 . A A . 2 VAL O 1 1 11 3723 1 1 3 ILE C C -6.712 -0.661 2.872 1.00 . A A . 3 ILE C 1 1 11 3724 1 1 3 ILE CA C -6.107 -1.870 3.581 1.00 . A A . 3 ILE CA 1 1 11 3725 1 1 3 ILE CB C -7.028 -2.299 4.743 1.00 . A A . 3 ILE CB 1 1 11 3726 1 1 3 ILE CD1 C -8.945 -3.961 4.951 1.00 . A A . 3 ILE CD1 1 1 11 3727 1 1 3 ILE CG1 C -8.380 -2.773 4.205 1.00 . A A . 3 ILE CG1 1 1 11 3728 1 1 3 ILE CG2 C -7.213 -1.155 5.733 1.00 . A A . 3 ILE CG2 1 1 11 3729 1 1 3 ILE H H -4.600 -0.761 4.572 1.00 . A A . 3 ILE H 1 1 11 3730 1 1 3 ILE HA H -6.042 -2.689 2.880 1.00 . A A . 3 ILE HA 1 1 11 3731 1 1 3 ILE HB H -6.553 -3.116 5.264 1.00 . A A . 3 ILE HB 1 1 11 3732 1 1 3 ILE HD11 H -9.458 -3.619 5.839 1.00 . A A . 3 ILE HD11 1 1 11 3733 1 1 3 ILE HD12 H -8.140 -4.624 5.235 1.00 . A A . 3 ILE HD12 1 1 11 3734 1 1 3 ILE HD13 H -9.640 -4.489 4.316 1.00 . A A . 3 ILE HD13 1 1 11 3735 1 1 3 ILE HG12 H -9.093 -1.965 4.280 1.00 . A A . 3 ILE HG12 1 1 11 3736 1 1 3 ILE HG13 H -8.269 -3.054 3.167 1.00 . A A . 3 ILE HG13 1 1 11 3737 1 1 3 ILE HG21 H -6.792 -0.250 5.323 1.00 . A A . 3 ILE HG21 1 1 11 3738 1 1 3 ILE HG22 H -6.712 -1.398 6.659 1.00 . A A . 3 ILE HG22 1 1 11 3739 1 1 3 ILE HG23 H -8.267 -1.008 5.924 1.00 . A A . 3 ILE HG23 1 1 11 3740 1 1 3 ILE N N -4.759 -1.579 4.054 1.00 . A A . 3 ILE N 1 1 11 3741 1 1 3 ILE O O -7.928 -0.473 2.865 1.00 . A A . 3 ILE O 1 1 11 3742 1 1 4 ALA C C -6.050 1.222 0.063 1.00 . A A . 4 ALA C 1 1 11 3743 1 1 4 ALA CA C -6.300 1.350 1.562 1.00 . A A . 4 ALA CA 1 1 11 3744 1 1 4 ALA CB C -5.602 2.585 2.111 1.00 . A A . 4 ALA CB 1 1 11 3745 1 1 4 ALA H H -4.894 -0.042 2.313 1.00 . A A . 4 ALA H 1 1 11 3746 1 1 4 ALA HA H -7.361 1.460 1.732 1.00 . A A . 4 ALA HA 1 1 11 3747 1 1 4 ALA HB1 H -5.515 3.326 1.330 1.00 . A A . 4 ALA HB1 1 1 11 3748 1 1 4 ALA HB2 H -4.618 2.316 2.464 1.00 . A A . 4 ALA HB2 1 1 11 3749 1 1 4 ALA HB3 H -6.180 2.991 2.929 1.00 . A A . 4 ALA HB3 1 1 11 3750 1 1 4 ALA N N -5.852 0.159 2.274 1.00 . A A . 4 ALA N 1 1 11 3751 1 1 4 ALA O O -6.791 1.776 -0.749 1.00 . A A . 4 ALA O 1 1 11 3752 1 1 5 CYS C C -5.809 -0.358 -2.462 1.00 . A A . 5 CYS C 1 1 11 3753 1 1 5 CYS CA C -4.655 0.288 -1.701 1.00 . A A . 5 CYS CA 1 1 11 3754 1 1 5 CYS CB C -3.402 -0.580 -1.820 1.00 . A A . 5 CYS CB 1 1 11 3755 1 1 5 CYS H H -4.449 0.072 0.394 1.00 . A A . 5 CYS H 1 1 11 3756 1 1 5 CYS HA H -4.453 1.257 -2.133 1.00 . A A . 5 CYS HA 1 1 11 3757 1 1 5 CYS HB2 H -2.713 -0.315 -1.033 1.00 . A A . 5 CYS HB2 1 1 11 3758 1 1 5 CYS HB3 H -3.681 -1.618 -1.712 1.00 . A A . 5 CYS HB3 1 1 11 3759 1 1 5 CYS N N -5.002 0.488 -0.298 1.00 . A A . 5 CYS N 1 1 11 3760 1 1 5 CYS O O -6.681 -0.992 -1.866 1.00 . A A . 5 CYS O 1 1 11 3761 1 1 5 CYS SG S -2.523 -0.403 -3.407 1.00 . A A . 5 CYS SG 1 1 11 3762 1 1 6 PHE C C -6.284 -1.811 -5.567 1.00 . A A . 6 PHE C 1 1 11 3763 1 1 6 PHE CA C -6.855 -0.757 -4.623 1.00 . A A . 6 PHE CA 1 1 11 3764 1 1 6 PHE CB C -7.544 0.347 -5.428 1.00 . A A . 6 PHE CB 1 1 11 3765 1 1 6 PHE CD1 C -5.735 2.018 -5.914 1.00 . A A . 6 PHE CD1 1 1 11 3766 1 1 6 PHE CD2 C -6.645 0.771 -7.732 1.00 . A A . 6 PHE CD2 1 1 11 3767 1 1 6 PHE CE1 C -4.887 2.676 -6.785 1.00 . A A . 6 PHE CE1 1 1 11 3768 1 1 6 PHE CE2 C -5.799 1.425 -8.607 1.00 . A A . 6 PHE CE2 1 1 11 3769 1 1 6 PHE CG C -6.623 1.060 -6.377 1.00 . A A . 6 PHE CG 1 1 11 3770 1 1 6 PHE CZ C -4.919 2.379 -8.133 1.00 . A A . 6 PHE CZ 1 1 11 3771 1 1 6 PHE H H -5.087 0.325 -4.196 1.00 . A A . 6 PHE H 1 1 11 3772 1 1 6 PHE HA H -7.583 -1.227 -3.978 1.00 . A A . 6 PHE HA 1 1 11 3773 1 1 6 PHE HB2 H -8.346 -0.086 -6.007 1.00 . A A . 6 PHE HB2 1 1 11 3774 1 1 6 PHE HB3 H -7.952 1.078 -4.747 1.00 . A A . 6 PHE HB3 1 1 11 3775 1 1 6 PHE HD1 H -5.710 2.250 -4.860 1.00 . A A . 6 PHE HD1 1 1 11 3776 1 1 6 PHE HD2 H -7.333 0.026 -8.104 1.00 . A A . 6 PHE HD2 1 1 11 3777 1 1 6 PHE HE1 H -4.200 3.420 -6.411 1.00 . A A . 6 PHE HE1 1 1 11 3778 1 1 6 PHE HE2 H -5.826 1.191 -9.662 1.00 . A A . 6 PHE HE2 1 1 11 3779 1 1 6 PHE HZ H -4.258 2.892 -8.815 1.00 . A A . 6 PHE HZ 1 1 11 3780 1 1 6 PHE N N -5.809 -0.191 -3.780 1.00 . A A . 6 PHE N 1 1 11 3781 1 1 6 PHE O O -6.757 -1.972 -6.692 1.00 . A A . 6 PHE O 1 1 11 3782 1 1 7 LEU C C -4.529 -4.870 -5.126 1.00 . A A . 7 LEU C 1 1 11 3783 1 1 7 LEU CA C -4.628 -3.562 -5.905 1.00 . A A . 7 LEU CA 1 1 11 3784 1 1 7 LEU CB C -3.235 -3.112 -6.347 1.00 . A A . 7 LEU CB 1 1 11 3785 1 1 7 LEU CD1 C -1.925 -1.368 -7.586 1.00 . A A . 7 LEU CD1 1 1 11 3786 1 1 7 LEU CD2 C -3.358 -2.984 -8.847 1.00 . A A . 7 LEU CD2 1 1 11 3787 1 1 7 LEU CG C -3.210 -2.182 -7.563 1.00 . A A . 7 LEU CG 1 1 11 3788 1 1 7 LEU H H -4.932 -2.349 -4.197 1.00 . A A . 7 LEU H 1 1 11 3789 1 1 7 LEU HA H -5.239 -3.724 -6.781 1.00 . A A . 7 LEU HA 1 1 11 3790 1 1 7 LEU HB2 H -2.765 -2.600 -5.519 1.00 . A A . 7 LEU HB2 1 1 11 3791 1 1 7 LEU HB3 H -2.653 -3.990 -6.582 1.00 . A A . 7 LEU HB3 1 1 11 3792 1 1 7 LEU HD11 H -1.547 -1.265 -6.580 1.00 . A A . 7 LEU HD11 1 1 11 3793 1 1 7 LEU HD12 H -2.127 -0.390 -7.997 1.00 . A A . 7 LEU HD12 1 1 11 3794 1 1 7 LEU HD13 H -1.191 -1.872 -8.196 1.00 . A A . 7 LEU HD13 1 1 11 3795 1 1 7 LEU HD21 H -2.381 -3.260 -9.215 1.00 . A A . 7 LEU HD21 1 1 11 3796 1 1 7 LEU HD22 H -3.866 -2.385 -9.589 1.00 . A A . 7 LEU HD22 1 1 11 3797 1 1 7 LEU HD23 H -3.934 -3.877 -8.651 1.00 . A A . 7 LEU HD23 1 1 11 3798 1 1 7 LEU HG H -4.040 -1.494 -7.499 1.00 . A A . 7 LEU HG 1 1 11 3799 1 1 7 LEU N N -5.264 -2.524 -5.102 1.00 . A A . 7 LEU N 1 1 11 3800 1 1 7 LEU O O -4.290 -4.867 -3.919 1.00 . A A . 7 LEU O 1 1 11 3801 1 1 8 LYS C C -3.214 -7.641 -4.807 1.00 . A A . 8 LYS C 1 1 11 3802 1 1 8 LYS CA C -4.647 -7.299 -5.198 1.00 . A A . 8 LYS CA 1 1 11 3803 1 1 8 LYS CB C -5.198 -8.368 -6.144 1.00 . A A . 8 LYS CB 1 1 11 3804 1 1 8 LYS CD C -6.667 -8.515 -8.178 1.00 . A A . 8 LYS CD 1 1 11 3805 1 1 8 LYS CE C -7.488 -7.568 -9.037 1.00 . A A . 8 LYS CE 1 1 11 3806 1 1 8 LYS CG C -6.546 -8.008 -6.750 1.00 . A A . 8 LYS CG 1 1 11 3807 1 1 8 LYS H H -4.904 -5.922 -6.784 1.00 . A A . 8 LYS H 1 1 11 3808 1 1 8 LYS HA H -5.255 -7.273 -4.306 1.00 . A A . 8 LYS HA 1 1 11 3809 1 1 8 LYS HB2 H -4.494 -8.517 -6.949 1.00 . A A . 8 LYS HB2 1 1 11 3810 1 1 8 LYS HB3 H -5.309 -9.293 -5.598 1.00 . A A . 8 LYS HB3 1 1 11 3811 1 1 8 LYS HD2 H -5.679 -8.606 -8.603 1.00 . A A . 8 LYS HD2 1 1 11 3812 1 1 8 LYS HD3 H -7.147 -9.483 -8.166 1.00 . A A . 8 LYS HD3 1 1 11 3813 1 1 8 LYS HE2 H -8.533 -7.698 -8.798 1.00 . A A . 8 LYS HE2 1 1 11 3814 1 1 8 LYS HE3 H -7.192 -6.552 -8.815 1.00 . A A . 8 LYS HE3 1 1 11 3815 1 1 8 LYS HG2 H -7.328 -8.451 -6.153 1.00 . A A . 8 LYS HG2 1 1 11 3816 1 1 8 LYS HG3 H -6.655 -6.933 -6.748 1.00 . A A . 8 LYS HG3 1 1 11 3817 1 1 8 LYS HZ1 H -7.052 -8.823 -10.649 1.00 . A A . 8 LYS HZ1 1 1 11 3818 1 1 8 LYS HZ2 H -6.514 -7.232 -10.855 1.00 . A A . 8 LYS HZ2 1 1 11 3819 1 1 8 LYS HZ3 H -8.158 -7.595 -11.015 1.00 . A A . 8 LYS HZ3 1 1 11 3820 1 1 8 LYS N N -4.716 -5.984 -5.824 1.00 . A A . 8 LYS N 1 1 11 3821 1 1 8 LYS NZ N -7.289 -7.822 -10.491 1.00 . A A . 8 LYS NZ 1 1 11 3822 1 1 8 LYS O O -2.922 -7.897 -3.638 1.00 . A A . 8 LYS O 1 1 11 3823 1 1 9 VAL C C -0.289 -6.949 -4.590 1.00 . A A . 9 VAL C 1 1 11 3824 1 1 9 VAL CA C -0.918 -7.954 -5.552 1.00 . A A . 9 VAL CA 1 1 11 3825 1 1 9 VAL CB C -0.114 -7.970 -6.867 1.00 . A A . 9 VAL CB 1 1 11 3826 1 1 9 VAL CG1 C -0.153 -6.604 -7.538 1.00 . A A . 9 VAL CG1 1 1 11 3827 1 1 9 VAL CG2 C 1.322 -8.405 -6.614 1.00 . A A . 9 VAL CG2 1 1 11 3828 1 1 9 VAL H H -2.615 -7.431 -6.703 1.00 . A A . 9 VAL H 1 1 11 3829 1 1 9 VAL HA H -0.866 -8.939 -5.111 1.00 . A A . 9 VAL HA 1 1 11 3830 1 1 9 VAL HB H -0.571 -8.685 -7.535 1.00 . A A . 9 VAL HB 1 1 11 3831 1 1 9 VAL HG11 H 0.130 -5.845 -6.826 1.00 . A A . 9 VAL HG11 1 1 11 3832 1 1 9 VAL HG12 H -1.155 -6.408 -7.894 1.00 . A A . 9 VAL HG12 1 1 11 3833 1 1 9 VAL HG13 H 0.534 -6.593 -8.371 1.00 . A A . 9 VAL HG13 1 1 11 3834 1 1 9 VAL HG21 H 1.661 -9.021 -7.433 1.00 . A A . 9 VAL HG21 1 1 11 3835 1 1 9 VAL HG22 H 1.370 -8.972 -5.695 1.00 . A A . 9 VAL HG22 1 1 11 3836 1 1 9 VAL HG23 H 1.954 -7.534 -6.533 1.00 . A A . 9 VAL HG23 1 1 11 3837 1 1 9 VAL N N -2.322 -7.644 -5.792 1.00 . A A . 9 VAL N 1 1 11 3838 1 1 9 VAL O O 0.658 -7.272 -3.873 1.00 . A A . 9 VAL O 1 1 11 3839 1 1 10 CYS C C -0.977 -4.734 -2.339 1.00 . A A . 10 CYS C 1 1 11 3840 1 1 10 CYS CA C -0.308 -4.680 -3.709 1.00 . A A . 10 CYS CA 1 1 11 3841 1 1 10 CYS CB C -0.534 -3.307 -4.345 1.00 . A A . 10 CYS CB 1 1 11 3842 1 1 10 CYS H H -1.573 -5.532 -5.177 1.00 . A A . 10 CYS H 1 1 11 3843 1 1 10 CYS HA H 0.752 -4.839 -3.586 1.00 . A A . 10 CYS HA 1 1 11 3844 1 1 10 CYS HB2 H -0.565 -3.415 -5.419 1.00 . A A . 10 CYS HB2 1 1 11 3845 1 1 10 CYS HB3 H -1.477 -2.910 -4.000 1.00 . A A . 10 CYS HB3 1 1 11 3846 1 1 10 CYS N N -0.820 -5.730 -4.583 1.00 . A A . 10 CYS N 1 1 11 3847 1 1 10 CYS O O -0.321 -4.983 -1.327 1.00 . A A . 10 CYS O 1 1 11 3848 1 1 10 CYS SG S 0.760 -2.084 -3.951 1.00 . A A . 10 CYS SG 1 1 11 3849 1 1 11 ALA C C -3.052 -5.917 -0.454 1.00 . A A . 11 ALA C 1 1 11 3850 1 1 11 ALA CA C -3.041 -4.521 -1.069 1.00 . A A . 11 ALA CA 1 1 11 3851 1 1 11 ALA CB C -4.464 -4.038 -1.308 1.00 . A A . 11 ALA CB 1 1 11 3852 1 1 11 ALA H H -2.752 -4.306 -3.154 1.00 . A A . 11 ALA H 1 1 11 3853 1 1 11 ALA HA H -2.566 -3.838 -0.379 1.00 . A A . 11 ALA HA 1 1 11 3854 1 1 11 ALA HB1 H -4.797 -3.462 -0.456 1.00 . A A . 11 ALA HB1 1 1 11 3855 1 1 11 ALA HB2 H -5.115 -4.888 -1.444 1.00 . A A . 11 ALA HB2 1 1 11 3856 1 1 11 ALA HB3 H -4.489 -3.419 -2.192 1.00 . A A . 11 ALA HB3 1 1 11 3857 1 1 11 ALA N N -2.284 -4.500 -2.315 1.00 . A A . 11 ALA N 1 1 11 3858 1 1 11 ALA O O -2.793 -6.083 0.738 1.00 . A A . 11 ALA O 1 1 11 3859 1 1 12 ALA C C -2.021 -8.960 -0.858 1.00 . A A . 12 ALA C 1 1 11 3860 1 1 12 ALA CA C -3.400 -8.302 -0.818 1.00 . A A . 12 ALA CA 1 1 11 3861 1 1 12 ALA CB C -4.389 -9.100 -1.655 1.00 . A A . 12 ALA CB 1 1 11 3862 1 1 12 ALA H H -3.552 -6.720 -2.216 1.00 . A A . 12 ALA H 1 1 11 3863 1 1 12 ALA HA H -3.754 -8.300 0.204 1.00 . A A . 12 ALA HA 1 1 11 3864 1 1 12 ALA HB1 H -4.892 -9.820 -1.028 1.00 . A A . 12 ALA HB1 1 1 11 3865 1 1 12 ALA HB2 H -3.859 -9.616 -2.442 1.00 . A A . 12 ALA HB2 1 1 11 3866 1 1 12 ALA HB3 H -5.115 -8.429 -2.090 1.00 . A A . 12 ALA HB3 1 1 11 3867 1 1 12 ALA N N -3.354 -6.918 -1.277 1.00 . A A . 12 ALA N 1 1 11 3868 1 1 12 ALA O O -1.904 -10.152 -1.144 1.00 . A A . 12 ALA O 1 1 11 3869 1 1 13 ALA C C 0.830 -9.136 0.816 1.00 . A A . 13 ALA C 1 1 11 3870 1 1 13 ALA CA C 0.383 -8.706 -0.580 1.00 . A A . 13 ALA CA 1 1 11 3871 1 1 13 ALA CB C 1.341 -7.667 -1.144 1.00 . A A . 13 ALA CB 1 1 11 3872 1 1 13 ALA H H -1.126 -7.244 -0.350 1.00 . A A . 13 ALA H 1 1 11 3873 1 1 13 ALA HA H 0.404 -9.567 -1.232 1.00 . A A . 13 ALA HA 1 1 11 3874 1 1 13 ALA HB1 H 1.896 -7.212 -0.337 1.00 . A A . 13 ALA HB1 1 1 11 3875 1 1 13 ALA HB2 H 0.779 -6.907 -1.667 1.00 . A A . 13 ALA HB2 1 1 11 3876 1 1 13 ALA HB3 H 2.026 -8.143 -1.830 1.00 . A A . 13 ALA HB3 1 1 11 3877 1 1 13 ALA N N -0.979 -8.185 -0.572 1.00 . A A . 13 ALA N 1 1 11 3878 1 1 13 ALA O O 1.946 -9.623 0.997 1.00 . A A . 13 ALA O 1 1 11 3879 1 1 14 ALA C C 1.532 -8.629 3.666 1.00 . A A . 14 ALA C 1 1 11 3880 1 1 14 ALA CA C 0.267 -9.329 3.179 1.00 . A A . 14 ALA CA 1 1 11 3881 1 1 14 ALA CB C 0.420 -10.838 3.294 1.00 . A A . 14 ALA CB 1 1 11 3882 1 1 14 ALA H H -0.920 -8.565 1.604 1.00 . A A . 14 ALA H 1 1 11 3883 1 1 14 ALA HA H -0.562 -9.027 3.802 1.00 . A A . 14 ALA HA 1 1 11 3884 1 1 14 ALA HB1 H 0.707 -11.096 4.302 1.00 . A A . 14 ALA HB1 1 1 11 3885 1 1 14 ALA HB2 H 1.182 -11.176 2.606 1.00 . A A . 14 ALA HB2 1 1 11 3886 1 1 14 ALA HB3 H -0.519 -11.314 3.053 1.00 . A A . 14 ALA HB3 1 1 11 3887 1 1 14 ALA N N -0.044 -8.956 1.804 1.00 . A A . 14 ALA N 1 1 11 3888 1 1 14 ALA O O 2.268 -9.162 4.497 1.00 . A A . 14 ALA O 1 1 11 3889 1 1 15 ASN C C 2.699 -5.165 3.371 1.00 . A A . 15 ASN C 1 1 11 3890 1 1 15 ASN CA C 2.955 -6.660 3.527 1.00 . A A . 15 ASN CA 1 1 11 3891 1 1 15 ASN CB C 4.161 -7.074 2.680 1.00 . A A . 15 ASN CB 1 1 11 3892 1 1 15 ASN CG C 5.464 -6.993 3.452 1.00 . A A . 15 ASN CG 1 1 11 3893 1 1 15 ASN H H 1.156 -7.060 2.487 1.00 . A A . 15 ASN H 1 1 11 3894 1 1 15 ASN HA H 3.166 -6.871 4.565 1.00 . A A . 15 ASN HA 1 1 11 3895 1 1 15 ASN HB2 H 4.025 -8.091 2.345 1.00 . A A . 15 ASN HB2 1 1 11 3896 1 1 15 ASN HB3 H 4.230 -6.422 1.822 1.00 . A A . 15 ASN HB3 1 1 11 3897 1 1 15 ASN HD21 H 4.699 -8.109 4.909 1.00 . A A . 15 ASN HD21 1 1 11 3898 1 1 15 ASN HD22 H 6.333 -7.594 5.136 1.00 . A A . 15 ASN HD22 1 1 11 3899 1 1 15 ASN N N 1.779 -7.432 3.144 1.00 . A A . 15 ASN N 1 1 11 3900 1 1 15 ASN ND2 N 5.502 -7.629 4.616 1.00 . A A . 15 ASN ND2 1 1 11 3901 1 1 15 ASN O O 2.606 -4.654 2.254 1.00 . A A . 15 ASN O 1 1 11 3902 1 1 15 ASN OD1 O 6.424 -6.365 3.005 1.00 . A A . 15 ASN OD1 1 1 11 3903 1 1 16 VAL C C 3.552 -2.273 3.956 1.00 . A A . 16 VAL C 1 1 11 3904 1 1 16 VAL CA C 2.340 -3.032 4.485 1.00 . A A . 16 VAL CA 1 1 11 3905 1 1 16 VAL CB C 1.994 -2.507 5.892 1.00 . A A . 16 VAL CB 1 1 11 3906 1 1 16 VAL CG1 C 1.586 -1.043 5.835 1.00 . A A . 16 VAL CG1 1 1 11 3907 1 1 16 VAL CG2 C 0.895 -3.350 6.523 1.00 . A A . 16 VAL CG2 1 1 11 3908 1 1 16 VAL H H 2.670 -4.932 5.356 1.00 . A A . 16 VAL H 1 1 11 3909 1 1 16 VAL HA H 1.497 -2.843 3.836 1.00 . A A . 16 VAL HA 1 1 11 3910 1 1 16 VAL HB H 2.877 -2.587 6.510 1.00 . A A . 16 VAL HB 1 1 11 3911 1 1 16 VAL HG11 H 1.064 -0.852 4.908 1.00 . A A . 16 VAL HG11 1 1 11 3912 1 1 16 VAL HG12 H 2.468 -0.422 5.885 1.00 . A A . 16 VAL HG12 1 1 11 3913 1 1 16 VAL HG13 H 0.937 -0.817 6.667 1.00 . A A . 16 VAL HG13 1 1 11 3914 1 1 16 VAL HG21 H -0.047 -2.825 6.449 1.00 . A A . 16 VAL HG21 1 1 11 3915 1 1 16 VAL HG22 H 1.128 -3.526 7.563 1.00 . A A . 16 VAL HG22 1 1 11 3916 1 1 16 VAL HG23 H 0.822 -4.295 6.005 1.00 . A A . 16 VAL HG23 1 1 11 3917 1 1 16 VAL N N 2.586 -4.468 4.497 1.00 . A A . 16 VAL N 1 1 11 3918 1 1 16 VAL O O 3.416 -1.344 3.159 1.00 . A A . 16 VAL O 1 1 11 3919 1 1 17 ALA C C 6.154 -2.143 2.466 1.00 . A A . 17 ALA C 1 1 11 3920 1 1 17 ALA CA C 5.973 -2.030 3.975 1.00 . A A . 17 ALA CA 1 1 11 3921 1 1 17 ALA CB C 7.164 -2.640 4.699 1.00 . A A . 17 ALA CB 1 1 11 3922 1 1 17 ALA H H 4.782 -3.420 5.038 1.00 . A A . 17 ALA H 1 1 11 3923 1 1 17 ALA HA H 5.914 -0.985 4.243 1.00 . A A . 17 ALA HA 1 1 11 3924 1 1 17 ALA HB1 H 6.952 -3.671 4.937 1.00 . A A . 17 ALA HB1 1 1 11 3925 1 1 17 ALA HB2 H 7.350 -2.091 5.611 1.00 . A A . 17 ALA HB2 1 1 11 3926 1 1 17 ALA HB3 H 8.035 -2.588 4.065 1.00 . A A . 17 ALA HB3 1 1 11 3927 1 1 17 ALA N N 4.737 -2.673 4.404 1.00 . A A . 17 ALA N 1 1 11 3928 1 1 17 ALA O O 6.485 -1.165 1.796 1.00 . A A . 17 ALA O 1 1 11 3929 1 1 18 ALA C C 5.164 -2.652 -0.296 1.00 . A A . 18 ALA C 1 1 11 3930 1 1 18 ALA CA C 6.072 -3.581 0.503 1.00 . A A . 18 ALA CA 1 1 11 3931 1 1 18 ALA CB C 5.762 -5.034 0.179 1.00 . A A . 18 ALA CB 1 1 11 3932 1 1 18 ALA H H 5.672 -4.083 2.521 1.00 . A A . 18 ALA H 1 1 11 3933 1 1 18 ALA HA H 7.100 -3.387 0.230 1.00 . A A . 18 ALA HA 1 1 11 3934 1 1 18 ALA HB1 H 6.083 -5.254 -0.828 1.00 . A A . 18 ALA HB1 1 1 11 3935 1 1 18 ALA HB2 H 4.698 -5.202 0.263 1.00 . A A . 18 ALA HB2 1 1 11 3936 1 1 18 ALA HB3 H 6.284 -5.677 0.872 1.00 . A A . 18 ALA HB3 1 1 11 3937 1 1 18 ALA N N 5.934 -3.342 1.935 1.00 . A A . 18 ALA N 1 1 11 3938 1 1 18 ALA O O 5.539 -2.165 -1.361 1.00 . A A . 18 ALA O 1 1 11 3939 1 1 19 HIS C C 3.404 -0.071 -0.268 1.00 . A A . 19 HIS C 1 1 11 3940 1 1 19 HIS CA C 3.005 -1.538 -0.430 1.00 . A A . 19 HIS CA 1 1 11 3941 1 1 19 HIS CB C 1.596 -1.782 0.135 1.00 . A A . 19 HIS CB 1 1 11 3942 1 1 19 HIS CD2 C 0.322 0.255 1.086 1.00 . A A . 19 HIS CD2 1 1 11 3943 1 1 19 HIS CE1 C -0.572 0.916 -0.782 1.00 . A A . 19 HIS CE1 1 1 11 3944 1 1 19 HIS CG C 0.697 -0.582 0.087 1.00 . A A . 19 HIS CG 1 1 11 3945 1 1 19 HIS H H 3.728 -2.828 1.084 1.00 . A A . 19 HIS H 1 1 11 3946 1 1 19 HIS HA H 3.007 -1.783 -1.483 1.00 . A A . 19 HIS HA 1 1 11 3947 1 1 19 HIS HB2 H 1.123 -2.570 -0.430 1.00 . A A . 19 HIS HB2 1 1 11 3948 1 1 19 HIS HB3 H 1.681 -2.092 1.166 1.00 . A A . 19 HIS HB3 1 1 11 3949 1 1 19 HIS HD2 H 0.614 0.198 2.120 1.00 . A A . 19 HIS HD2 1 1 11 3950 1 1 19 HIS HE1 H -1.111 1.506 -1.507 1.00 . A A . 19 HIS HE1 1 1 11 3951 1 1 19 HIS HE2 H -0.767 2.046 0.945 1.00 . A A . 19 HIS HE2 1 1 11 3952 1 1 19 HIS N N 3.968 -2.411 0.229 1.00 . A A . 19 HIS N 1 1 11 3953 1 1 19 HIS ND1 N 0.125 -0.156 -1.086 1.00 . A A . 19 HIS ND1 1 1 11 3954 1 1 19 HIS NE2 N -0.488 1.207 0.522 1.00 . A A . 19 HIS NE2 1 1 11 3955 1 1 19 HIS O O 3.622 0.634 -1.251 1.00 . A A . 19 HIS O 1 1 11 3956 1 1 20 MET C C 5.076 2.212 0.486 1.00 . A A . 20 MET C 1 1 11 3957 1 1 20 MET CA C 3.851 1.764 1.280 1.00 . A A . 20 MET CA 1 1 11 3958 1 1 20 MET CB C 4.116 1.929 2.778 1.00 . A A . 20 MET CB 1 1 11 3959 1 1 20 MET CE C 2.737 3.260 5.650 1.00 . A A . 20 MET CE 1 1 11 3960 1 1 20 MET CG C 4.104 3.375 3.242 1.00 . A A . 20 MET CG 1 1 11 3961 1 1 20 MET H H 3.298 -0.233 1.723 1.00 . A A . 20 MET H 1 1 11 3962 1 1 20 MET HA H 3.014 2.388 1.005 1.00 . A A . 20 MET HA 1 1 11 3963 1 1 20 MET HB2 H 3.358 1.391 3.327 1.00 . A A . 20 MET HB2 1 1 11 3964 1 1 20 MET HB3 H 5.083 1.507 3.009 1.00 . A A . 20 MET HB3 1 1 11 3965 1 1 20 MET HE1 H 1.884 3.552 6.245 1.00 . A A . 20 MET HE1 1 1 11 3966 1 1 20 MET HE2 H 3.635 3.686 6.075 1.00 . A A . 20 MET HE2 1 1 11 3967 1 1 20 MET HE3 H 2.818 2.184 5.642 1.00 . A A . 20 MET HE3 1 1 11 3968 1 1 20 MET HG2 H 4.883 3.510 3.980 1.00 . A A . 20 MET HG2 1 1 11 3969 1 1 20 MET HG3 H 4.300 4.014 2.393 1.00 . A A . 20 MET HG3 1 1 11 3970 1 1 20 MET N N 3.489 0.379 0.982 1.00 . A A . 20 MET N 1 1 11 3971 1 1 20 MET O O 5.097 3.311 -0.069 1.00 . A A . 20 MET O 1 1 11 3972 1 1 20 MET SD S 2.528 3.857 3.975 1.00 . A A . 20 MET SD 1 1 11 3973 1 1 21 THR C C 7.019 2.001 -1.760 1.00 . A A . 21 THR C 1 1 11 3974 1 1 21 THR CA C 7.319 1.679 -0.297 1.00 . A A . 21 THR CA 1 1 11 3975 1 1 21 THR CB C 8.309 0.516 -0.209 1.00 . A A . 21 THR CB 1 1 11 3976 1 1 21 THR CG2 C 7.829 -0.736 -0.913 1.00 . A A . 21 THR CG2 1 1 11 3977 1 1 21 THR H H 6.023 0.498 0.893 1.00 . A A . 21 THR H 1 1 11 3978 1 1 21 THR HA H 7.761 2.550 0.165 1.00 . A A . 21 THR HA 1 1 11 3979 1 1 21 THR HB H 8.469 0.270 0.831 1.00 . A A . 21 THR HB 1 1 11 3980 1 1 21 THR HG1 H 10.186 1.060 -0.076 1.00 . A A . 21 THR HG1 1 1 11 3981 1 1 21 THR HG21 H 7.009 -0.488 -1.569 1.00 . A A . 21 THR HG21 1 1 11 3982 1 1 21 THR HG22 H 7.498 -1.457 -0.179 1.00 . A A . 21 THR HG22 1 1 11 3983 1 1 21 THR HG23 H 8.639 -1.156 -1.491 1.00 . A A . 21 THR HG23 1 1 11 3984 1 1 21 THR N N 6.095 1.360 0.433 1.00 . A A . 21 THR N 1 1 11 3985 1 1 21 THR O O 7.783 2.706 -2.420 1.00 . A A . 21 THR O 1 1 11 3986 1 1 21 THR OG1 O 9.556 0.876 -0.777 1.00 . A A . 21 THR OG1 1 1 11 3987 1 1 22 HIS C C 4.171 2.461 -3.706 1.00 . A A . 22 HIS C 1 1 11 3988 1 1 22 HIS CA C 5.498 1.703 -3.639 1.00 . A A . 22 HIS CA 1 1 11 3989 1 1 22 HIS CB C 5.399 0.351 -4.372 1.00 . A A . 22 HIS CB 1 1 11 3990 1 1 22 HIS CD2 C 2.824 0.105 -4.716 1.00 . A A . 22 HIS CD2 1 1 11 3991 1 1 22 HIS CE1 C 2.833 -0.260 -6.880 1.00 . A A . 22 HIS CE1 1 1 11 3992 1 1 22 HIS CG C 4.119 0.128 -5.130 1.00 . A A . 22 HIS CG 1 1 11 3993 1 1 22 HIS H H 5.340 0.927 -1.689 1.00 . A A . 22 HIS H 1 1 11 3994 1 1 22 HIS HA H 6.259 2.299 -4.105 1.00 . A A . 22 HIS HA 1 1 11 3995 1 1 22 HIS HB2 H 6.211 0.279 -5.079 1.00 . A A . 22 HIS HB2 1 1 11 3996 1 1 22 HIS HB3 H 5.496 -0.444 -3.647 1.00 . A A . 22 HIS HB3 1 1 11 3997 1 1 22 HIS HD1 H 4.866 -0.149 -7.081 1.00 . A A . 22 HIS HD1 1 1 11 3998 1 1 22 HIS HD2 H 2.464 0.257 -3.701 1.00 . A A . 22 HIS HD2 1 1 11 3999 1 1 22 HIS HE1 H 2.506 -0.454 -7.890 1.00 . A A . 22 HIS HE1 1 1 11 4000 1 1 22 HIS HE2 H 1.070 -0.138 -5.845 1.00 . A A . 22 HIS HE2 1 1 11 4001 1 1 22 HIS N N 5.904 1.479 -2.259 1.00 . A A . 22 HIS N 1 1 11 4002 1 1 22 HIS ND1 N 4.086 -0.105 -6.490 1.00 . A A . 22 HIS ND1 1 1 11 4003 1 1 22 HIS NE2 N 2.049 -0.138 -5.824 1.00 . A A . 22 HIS NE2 1 1 11 4004 1 1 22 HIS O O 3.615 2.671 -4.784 1.00 . A A . 22 HIS O 1 1 11 4005 1 1 23 CYS C C 2.410 4.607 -1.379 1.00 . A A . 23 CYS C 1 1 11 4006 1 1 23 CYS CA C 2.389 3.547 -2.476 1.00 . A A . 23 CYS CA 1 1 11 4007 1 1 23 CYS CB C 1.293 2.527 -2.190 1.00 . A A . 23 CYS CB 1 1 11 4008 1 1 23 CYS H H 4.127 2.645 -1.721 1.00 . A A . 23 CYS H 1 1 11 4009 1 1 23 CYS HA H 2.201 4.018 -3.429 1.00 . A A . 23 CYS HA 1 1 11 4010 1 1 23 CYS HB2 H 1.735 1.679 -1.689 1.00 . A A . 23 CYS HB2 1 1 11 4011 1 1 23 CYS HB3 H 0.562 2.972 -1.537 1.00 . A A . 23 CYS HB3 1 1 11 4012 1 1 23 CYS N N 3.656 2.851 -2.548 1.00 . A A . 23 CYS N 1 1 11 4013 1 1 23 CYS O O 1.939 4.372 -0.266 1.00 . A A . 23 CYS O 1 1 11 4014 1 1 23 CYS SG S 0.428 1.891 -3.667 1.00 . A A . 23 CYS SG 1 1 11 4015 1 1 24 ALA C C 1.662 7.457 -0.459 1.00 . A A . 24 ALA C 1 1 11 4016 1 1 24 ALA CA C 3.041 6.870 -0.741 1.00 . A A . 24 ALA CA 1 1 11 4017 1 1 24 ALA CB C 3.981 7.950 -1.254 1.00 . A A . 24 ALA CB 1 1 11 4018 1 1 24 ALA H H 3.317 5.902 -2.603 1.00 . A A . 24 ALA H 1 1 11 4019 1 1 24 ALA HA H 3.449 6.477 0.179 1.00 . A A . 24 ALA HA 1 1 11 4020 1 1 24 ALA HB1 H 4.649 7.525 -1.989 1.00 . A A . 24 ALA HB1 1 1 11 4021 1 1 24 ALA HB2 H 4.558 8.346 -0.431 1.00 . A A . 24 ALA HB2 1 1 11 4022 1 1 24 ALA HB3 H 3.406 8.744 -1.706 1.00 . A A . 24 ALA HB3 1 1 11 4023 1 1 24 ALA N N 2.958 5.775 -1.700 1.00 . A A . 24 ALA N 1 1 11 4024 1 1 24 ALA O O 0.661 7.016 -1.024 1.00 . A A . 24 ALA O 1 1 11 4025 1 1 25 LYS C C 0.501 10.621 0.732 1.00 . A A . 25 LYS C 1 1 11 4026 1 1 25 LYS CA C 0.361 9.102 0.776 1.00 . A A . 25 LYS CA 1 1 11 4027 1 1 25 LYS CB C -0.086 8.660 2.170 1.00 . A A . 25 LYS CB 1 1 11 4028 1 1 25 LYS CD C -2.071 10.092 2.740 1.00 . A A . 25 LYS CD 1 1 11 4029 1 1 25 LYS CE C -3.282 10.038 3.657 1.00 . A A . 25 LYS CE 1 1 11 4030 1 1 25 LYS CG C -1.593 8.699 2.365 1.00 . A A . 25 LYS CG 1 1 11 4031 1 1 25 LYS H H 2.450 8.762 0.836 1.00 . A A . 25 LYS H 1 1 11 4032 1 1 25 LYS HA H -0.384 8.800 0.056 1.00 . A A . 25 LYS HA 1 1 11 4033 1 1 25 LYS HB2 H 0.251 7.649 2.340 1.00 . A A . 25 LYS HB2 1 1 11 4034 1 1 25 LYS HB3 H 0.367 9.309 2.904 1.00 . A A . 25 LYS HB3 1 1 11 4035 1 1 25 LYS HD2 H -1.272 10.612 3.247 1.00 . A A . 25 LYS HD2 1 1 11 4036 1 1 25 LYS HD3 H -2.335 10.626 1.839 1.00 . A A . 25 LYS HD3 1 1 11 4037 1 1 25 LYS HE2 H -3.778 9.088 3.522 1.00 . A A . 25 LYS HE2 1 1 11 4038 1 1 25 LYS HE3 H -2.948 10.127 4.679 1.00 . A A . 25 LYS HE3 1 1 11 4039 1 1 25 LYS HG2 H -2.073 8.399 1.446 1.00 . A A . 25 LYS HG2 1 1 11 4040 1 1 25 LYS HG3 H -1.861 8.012 3.155 1.00 . A A . 25 LYS HG3 1 1 11 4041 1 1 25 LYS HZ1 H -4.741 10.947 2.470 1.00 . A A . 25 LYS HZ1 1 1 11 4042 1 1 25 LYS HZ2 H -3.747 12.041 3.290 1.00 . A A . 25 LYS HZ2 1 1 11 4043 1 1 25 LYS HZ3 H -4.951 11.201 4.129 1.00 . A A . 25 LYS HZ3 1 1 11 4044 1 1 25 LYS N N 1.618 8.454 0.418 1.00 . A A . 25 LYS N 1 1 11 4045 1 1 25 LYS NZ N -4.248 11.133 3.366 1.00 . A A . 25 LYS NZ 1 1 11 4046 1 1 25 LYS O O 1.649 11.111 0.787 1.00 . A A . 25 LYS O 1 1 11 4047 1 1 25 LYS OXT O -0.538 11.308 0.642 1.00 . A A . 25 LYS OXT 1 1 11 4048 2 2 1 ZN ZN ZN -0.258 -0.233 -3.035 1.00 . B A . 26 ZN ZN 1 1 12 4049 1 1 1 ARG C C -2.315 -0.889 5.556 1.00 . A A . 1 ARG C 1 1 12 4050 1 1 1 ARG CA C -2.366 -0.798 7.078 1.00 . A A . 1 ARG CA 1 1 12 4051 1 1 1 ARG CB C -3.708 -1.320 7.594 1.00 . A A . 1 ARG CB 1 1 12 4052 1 1 1 ARG CD C -3.968 -1.112 10.085 1.00 . A A . 1 ARG CD 1 1 12 4053 1 1 1 ARG CG C -3.610 -2.035 8.931 1.00 . A A . 1 ARG CG 1 1 12 4054 1 1 1 ARG CZ C -5.189 -2.594 11.630 1.00 . A A . 1 ARG CZ 1 1 12 4055 1 1 1 ARG H1 H -1.254 0.926 7.231 1.00 . A A . 1 ARG H1 1 1 12 4056 1 1 1 ARG H2 H -2.272 0.608 8.575 1.00 . A A . 1 ARG H2 1 1 12 4057 1 1 1 ARG H3 H -2.946 1.175 7.102 1.00 . A A . 1 ARG H3 1 1 12 4058 1 1 1 ARG HA H -1.568 -1.397 7.492 1.00 . A A . 1 ARG HA 1 1 12 4059 1 1 1 ARG HB2 H -4.386 -0.487 7.705 1.00 . A A . 1 ARG HB2 1 1 12 4060 1 1 1 ARG HB3 H -4.116 -2.010 6.870 1.00 . A A . 1 ARG HB3 1 1 12 4061 1 1 1 ARG HD2 H -3.182 -0.382 10.203 1.00 . A A . 1 ARG HD2 1 1 12 4062 1 1 1 ARG HD3 H -4.895 -0.608 9.851 1.00 . A A . 1 ARG HD3 1 1 12 4063 1 1 1 ARG HE H -3.411 -1.768 12.002 1.00 . A A . 1 ARG HE 1 1 12 4064 1 1 1 ARG HG2 H -4.289 -2.875 8.931 1.00 . A A . 1 ARG HG2 1 1 12 4065 1 1 1 ARG HG3 H -2.598 -2.388 9.066 1.00 . A A . 1 ARG HG3 1 1 12 4066 1 1 1 ARG HH11 H -6.138 -2.246 9.878 1.00 . A A . 1 ARG HH11 1 1 12 4067 1 1 1 ARG HH12 H -6.975 -3.285 10.980 1.00 . A A . 1 ARG HH12 1 1 12 4068 1 1 1 ARG HH21 H -4.511 -3.135 13.455 1.00 . A A . 1 ARG HH21 1 1 12 4069 1 1 1 ARG HH22 H -6.052 -3.789 13.012 1.00 . A A . 1 ARG HH22 1 1 12 4070 1 1 1 ARG N N -2.194 0.604 7.539 1.00 . A A . 1 ARG N 1 1 12 4071 1 1 1 ARG NE N -4.130 -1.842 11.340 1.00 . A A . 1 ARG NE 1 1 12 4072 1 1 1 ARG NH1 N -6.182 -2.718 10.757 1.00 . A A . 1 ARG NH1 1 1 12 4073 1 1 1 ARG NH2 N -5.257 -3.224 12.794 1.00 . A A . 1 ARG NH2 1 1 12 4074 1 1 1 ARG O O -2.330 0.128 4.863 1.00 . A A . 1 ARG O 1 1 12 4075 1 1 2 VAL C C -3.596 -2.617 3.040 1.00 . A A . 2 VAL C 1 1 12 4076 1 1 2 VAL CA C -2.204 -2.336 3.602 1.00 . A A . 2 VAL CA 1 1 12 4077 1 1 2 VAL CB C -1.263 -3.506 3.251 1.00 . A A . 2 VAL CB 1 1 12 4078 1 1 2 VAL CG1 C -1.781 -4.811 3.840 1.00 . A A . 2 VAL CG1 1 1 12 4079 1 1 2 VAL CG2 C -1.091 -3.622 1.741 1.00 . A A . 2 VAL CG2 1 1 12 4080 1 1 2 VAL H H -2.248 -2.885 5.646 1.00 . A A . 2 VAL H 1 1 12 4081 1 1 2 VAL HA H -1.817 -1.439 3.142 1.00 . A A . 2 VAL HA 1 1 12 4082 1 1 2 VAL HB H -0.295 -3.304 3.684 1.00 . A A . 2 VAL HB 1 1 12 4083 1 1 2 VAL HG11 H -2.476 -4.594 4.637 1.00 . A A . 2 VAL HG11 1 1 12 4084 1 1 2 VAL HG12 H -0.953 -5.384 4.230 1.00 . A A . 2 VAL HG12 1 1 12 4085 1 1 2 VAL HG13 H -2.281 -5.380 3.070 1.00 . A A . 2 VAL HG13 1 1 12 4086 1 1 2 VAL HG21 H -1.227 -4.650 1.439 1.00 . A A . 2 VAL HG21 1 1 12 4087 1 1 2 VAL HG22 H -0.099 -3.295 1.467 1.00 . A A . 2 VAL HG22 1 1 12 4088 1 1 2 VAL HG23 H -1.824 -3.002 1.246 1.00 . A A . 2 VAL HG23 1 1 12 4089 1 1 2 VAL N N -2.257 -2.113 5.042 1.00 . A A . 2 VAL N 1 1 12 4090 1 1 2 VAL O O -3.776 -3.512 2.213 1.00 . A A . 2 VAL O 1 1 12 4091 1 1 3 ILE C C -6.389 -0.830 2.174 1.00 . A A . 3 ILE C 1 1 12 4092 1 1 3 ILE CA C -5.952 -2.009 3.039 1.00 . A A . 3 ILE CA 1 1 12 4093 1 1 3 ILE CB C -6.925 -2.156 4.228 1.00 . A A . 3 ILE CB 1 1 12 4094 1 1 3 ILE CD1 C -9.120 -3.386 4.612 1.00 . A A . 3 ILE CD1 1 1 12 4095 1 1 3 ILE CG1 C -8.343 -2.436 3.726 1.00 . A A . 3 ILE CG1 1 1 12 4096 1 1 3 ILE CG2 C -6.900 -0.906 5.094 1.00 . A A . 3 ILE CG2 1 1 12 4097 1 1 3 ILE H H -4.372 -1.149 4.153 1.00 . A A . 3 ILE H 1 1 12 4098 1 1 3 ILE HA H -6.002 -2.913 2.447 1.00 . A A . 3 ILE HA 1 1 12 4099 1 1 3 ILE HB H -6.595 -2.987 4.831 1.00 . A A . 3 ILE HB 1 1 12 4100 1 1 3 ILE HD11 H -9.794 -2.823 5.239 1.00 . A A . 3 ILE HD11 1 1 12 4101 1 1 3 ILE HD12 H -8.433 -3.944 5.232 1.00 . A A . 3 ILE HD12 1 1 12 4102 1 1 3 ILE HD13 H -9.687 -4.070 3.998 1.00 . A A . 3 ILE HD13 1 1 12 4103 1 1 3 ILE HG12 H -8.892 -1.507 3.677 1.00 . A A . 3 ILE HG12 1 1 12 4104 1 1 3 ILE HG13 H -8.290 -2.871 2.739 1.00 . A A . 3 ILE HG13 1 1 12 4105 1 1 3 ILE HG21 H -5.963 -0.858 5.629 1.00 . A A . 3 ILE HG21 1 1 12 4106 1 1 3 ILE HG22 H -7.717 -0.941 5.800 1.00 . A A . 3 ILE HG22 1 1 12 4107 1 1 3 ILE HG23 H -7.002 -0.032 4.467 1.00 . A A . 3 ILE HG23 1 1 12 4108 1 1 3 ILE N N -4.578 -1.846 3.495 1.00 . A A . 3 ILE N 1 1 12 4109 1 1 3 ILE O O -7.226 -0.976 1.284 1.00 . A A . 3 ILE O 1 1 12 4110 1 1 4 ALA C C -5.866 1.360 0.203 1.00 . A A . 4 ALA C 1 1 12 4111 1 1 4 ALA CA C -6.145 1.544 1.692 1.00 . A A . 4 ALA CA 1 1 12 4112 1 1 4 ALA CB C -5.366 2.733 2.233 1.00 . A A . 4 ALA CB 1 1 12 4113 1 1 4 ALA H H -5.156 0.393 3.166 1.00 . A A . 4 ALA H 1 1 12 4114 1 1 4 ALA HA H -7.199 1.744 1.827 1.00 . A A . 4 ALA HA 1 1 12 4115 1 1 4 ALA HB1 H -4.413 2.395 2.612 1.00 . A A . 4 ALA HB1 1 1 12 4116 1 1 4 ALA HB2 H -5.927 3.198 3.031 1.00 . A A . 4 ALA HB2 1 1 12 4117 1 1 4 ALA HB3 H -5.205 3.449 1.442 1.00 . A A . 4 ALA HB3 1 1 12 4118 1 1 4 ALA N N -5.816 0.340 2.444 1.00 . A A . 4 ALA N 1 1 12 4119 1 1 4 ALA O O -6.502 1.993 -0.640 1.00 . A A . 4 ALA O 1 1 12 4120 1 1 5 CYS C C -5.757 -0.258 -2.298 1.00 . A A . 5 CYS C 1 1 12 4121 1 1 5 CYS CA C -4.549 0.225 -1.501 1.00 . A A . 5 CYS CA 1 1 12 4122 1 1 5 CYS CB C -3.428 -0.814 -1.569 1.00 . A A . 5 CYS CB 1 1 12 4123 1 1 5 CYS H H -4.438 0.017 0.602 1.00 . A A . 5 CYS H 1 1 12 4124 1 1 5 CYS HA H -4.196 1.150 -1.934 1.00 . A A . 5 CYS HA 1 1 12 4125 1 1 5 CYS HB2 H -2.709 -0.608 -0.791 1.00 . A A . 5 CYS HB2 1 1 12 4126 1 1 5 CYS HB3 H -3.849 -1.797 -1.410 1.00 . A A . 5 CYS HB3 1 1 12 4127 1 1 5 CYS N N -4.911 0.491 -0.114 1.00 . A A . 5 CYS N 1 1 12 4128 1 1 5 CYS O O -6.752 -0.703 -1.725 1.00 . A A . 5 CYS O 1 1 12 4129 1 1 5 CYS SG S -2.535 -0.843 -3.157 1.00 . A A . 5 CYS SG 1 1 12 4130 1 1 6 PHE C C -6.370 -1.841 -5.288 1.00 . A A . 6 PHE C 1 1 12 4131 1 1 6 PHE CA C -6.752 -0.593 -4.496 1.00 . A A . 6 PHE CA 1 1 12 4132 1 1 6 PHE CB C -7.131 0.536 -5.456 1.00 . A A . 6 PHE CB 1 1 12 4133 1 1 6 PHE CD1 C -5.624 0.513 -7.463 1.00 . A A . 6 PHE CD1 1 1 12 4134 1 1 6 PHE CD2 C -5.221 2.134 -5.761 1.00 . A A . 6 PHE CD2 1 1 12 4135 1 1 6 PHE CE1 C -4.555 1.005 -8.188 1.00 . A A . 6 PHE CE1 1 1 12 4136 1 1 6 PHE CE2 C -4.151 2.631 -6.482 1.00 . A A . 6 PHE CE2 1 1 12 4137 1 1 6 PHE CG C -5.969 1.072 -6.243 1.00 . A A . 6 PHE CG 1 1 12 4138 1 1 6 PHE CZ C -3.818 2.064 -7.697 1.00 . A A . 6 PHE CZ 1 1 12 4139 1 1 6 PHE H H -4.847 0.198 -4.019 1.00 . A A . 6 PHE H 1 1 12 4140 1 1 6 PHE HA H -7.604 -0.823 -3.875 1.00 . A A . 6 PHE HA 1 1 12 4141 1 1 6 PHE HB2 H -7.865 0.170 -6.158 1.00 . A A . 6 PHE HB2 1 1 12 4142 1 1 6 PHE HB3 H -7.556 1.353 -4.891 1.00 . A A . 6 PHE HB3 1 1 12 4143 1 1 6 PHE HD1 H -6.200 -0.315 -7.848 1.00 . A A . 6 PHE HD1 1 1 12 4144 1 1 6 PHE HD2 H -5.480 2.577 -4.811 1.00 . A A . 6 PHE HD2 1 1 12 4145 1 1 6 PHE HE1 H -4.296 0.560 -9.138 1.00 . A A . 6 PHE HE1 1 1 12 4146 1 1 6 PHE HE2 H -3.576 3.459 -6.096 1.00 . A A . 6 PHE HE2 1 1 12 4147 1 1 6 PHE HZ H -2.983 2.450 -8.262 1.00 . A A . 6 PHE HZ 1 1 12 4148 1 1 6 PHE N N -5.665 -0.167 -3.621 1.00 . A A . 6 PHE N 1 1 12 4149 1 1 6 PHE O O -7.238 -2.551 -5.797 1.00 . A A . 6 PHE O 1 1 12 4150 1 1 7 LEU C C -4.589 -4.513 -5.242 1.00 . A A . 7 LEU C 1 1 12 4151 1 1 7 LEU CA C -4.586 -3.270 -6.127 1.00 . A A . 7 LEU CA 1 1 12 4152 1 1 7 LEU CB C -3.176 -3.012 -6.660 1.00 . A A . 7 LEU CB 1 1 12 4153 1 1 7 LEU CD1 C -1.720 -1.584 -8.118 1.00 . A A . 7 LEU CD1 1 1 12 4154 1 1 7 LEU CD2 C -3.506 -3.001 -9.145 1.00 . A A . 7 LEU CD2 1 1 12 4155 1 1 7 LEU CG C -3.111 -2.168 -7.934 1.00 . A A . 7 LEU CG 1 1 12 4156 1 1 7 LEU H H -4.423 -1.506 -4.968 1.00 . A A . 7 LEU H 1 1 12 4157 1 1 7 LEU HA H -5.252 -3.436 -6.960 1.00 . A A . 7 LEU HA 1 1 12 4158 1 1 7 LEU HB2 H -2.609 -2.509 -5.891 1.00 . A A . 7 LEU HB2 1 1 12 4159 1 1 7 LEU HB3 H -2.710 -3.965 -6.862 1.00 . A A . 7 LEU HB3 1 1 12 4160 1 1 7 LEU HD11 H -1.283 -1.382 -7.151 1.00 . A A . 7 LEU HD11 1 1 12 4161 1 1 7 LEU HD12 H -1.786 -0.667 -8.682 1.00 . A A . 7 LEU HD12 1 1 12 4162 1 1 7 LEU HD13 H -1.101 -2.291 -8.651 1.00 . A A . 7 LEU HD13 1 1 12 4163 1 1 7 LEU HD21 H -2.967 -2.653 -10.013 1.00 . A A . 7 LEU HD21 1 1 12 4164 1 1 7 LEU HD22 H -4.568 -2.904 -9.317 1.00 . A A . 7 LEU HD22 1 1 12 4165 1 1 7 LEU HD23 H -3.265 -4.038 -8.962 1.00 . A A . 7 LEU HD23 1 1 12 4166 1 1 7 LEU HG H -3.809 -1.348 -7.850 1.00 . A A . 7 LEU HG 1 1 12 4167 1 1 7 LEU N N -5.070 -2.107 -5.392 1.00 . A A . 7 LEU N 1 1 12 4168 1 1 7 LEU O O -4.177 -4.464 -4.083 1.00 . A A . 7 LEU O 1 1 12 4169 1 1 8 LYS C C -3.714 -7.415 -4.777 1.00 . A A . 8 LYS C 1 1 12 4170 1 1 8 LYS CA C -5.115 -6.884 -5.060 1.00 . A A . 8 LYS CA 1 1 12 4171 1 1 8 LYS CB C -5.918 -7.924 -5.845 1.00 . A A . 8 LYS CB 1 1 12 4172 1 1 8 LYS CD C -7.025 -7.076 -7.936 1.00 . A A . 8 LYS CD 1 1 12 4173 1 1 8 LYS CE C -7.724 -5.784 -8.330 1.00 . A A . 8 LYS CE 1 1 12 4174 1 1 8 LYS CG C -7.197 -7.373 -6.455 1.00 . A A . 8 LYS CG 1 1 12 4175 1 1 8 LYS H H -5.372 -5.602 -6.725 1.00 . A A . 8 LYS H 1 1 12 4176 1 1 8 LYS HA H -5.612 -6.694 -4.120 1.00 . A A . 8 LYS HA 1 1 12 4177 1 1 8 LYS HB2 H -5.301 -8.311 -6.642 1.00 . A A . 8 LYS HB2 1 1 12 4178 1 1 8 LYS HB3 H -6.181 -8.734 -5.181 1.00 . A A . 8 LYS HB3 1 1 12 4179 1 1 8 LYS HD2 H -5.971 -6.983 -8.156 1.00 . A A . 8 LYS HD2 1 1 12 4180 1 1 8 LYS HD3 H -7.444 -7.890 -8.508 1.00 . A A . 8 LYS HD3 1 1 12 4181 1 1 8 LYS HE2 H -8.581 -5.643 -7.687 1.00 . A A . 8 LYS HE2 1 1 12 4182 1 1 8 LYS HE3 H -7.036 -4.962 -8.198 1.00 . A A . 8 LYS HE3 1 1 12 4183 1 1 8 LYS HG2 H -7.985 -8.101 -6.334 1.00 . A A . 8 LYS HG2 1 1 12 4184 1 1 8 LYS HG3 H -7.465 -6.461 -5.942 1.00 . A A . 8 LYS HG3 1 1 12 4185 1 1 8 LYS HZ1 H -7.403 -6.104 -10.369 1.00 . A A . 8 LYS HZ1 1 1 12 4186 1 1 8 LYS HZ2 H -8.504 -4.865 -10.037 1.00 . A A . 8 LYS HZ2 1 1 12 4187 1 1 8 LYS HZ3 H -8.971 -6.481 -9.855 1.00 . A A . 8 LYS HZ3 1 1 12 4188 1 1 8 LYS N N -5.057 -5.626 -5.797 1.00 . A A . 8 LYS N 1 1 12 4189 1 1 8 LYS NZ N -8.182 -5.810 -9.747 1.00 . A A . 8 LYS NZ 1 1 12 4190 1 1 8 LYS O O -3.376 -7.726 -3.635 1.00 . A A . 8 LYS O 1 1 12 4191 1 1 9 VAL C C -0.734 -7.150 -4.716 1.00 . A A . 9 VAL C 1 1 12 4192 1 1 9 VAL CA C -1.536 -8.012 -5.687 1.00 . A A . 9 VAL CA 1 1 12 4193 1 1 9 VAL CB C -0.814 -8.049 -7.049 1.00 . A A . 9 VAL CB 1 1 12 4194 1 1 9 VAL CG1 C -0.715 -6.653 -7.645 1.00 . A A . 9 VAL CG1 1 1 12 4195 1 1 9 VAL CG2 C 0.566 -8.676 -6.907 1.00 . A A . 9 VAL CG2 1 1 12 4196 1 1 9 VAL H H -3.228 -7.254 -6.710 1.00 . A A . 9 VAL H 1 1 12 4197 1 1 9 VAL HA H -1.585 -9.019 -5.301 1.00 . A A . 9 VAL HA 1 1 12 4198 1 1 9 VAL HB H -1.395 -8.661 -7.723 1.00 . A A . 9 VAL HB 1 1 12 4199 1 1 9 VAL HG11 H -0.366 -5.963 -6.890 1.00 . A A . 9 VAL HG11 1 1 12 4200 1 1 9 VAL HG12 H -1.688 -6.341 -7.995 1.00 . A A . 9 VAL HG12 1 1 12 4201 1 1 9 VAL HG13 H -0.021 -6.662 -8.471 1.00 . A A . 9 VAL HG13 1 1 12 4202 1 1 9 VAL HG21 H 1.041 -8.724 -7.875 1.00 . A A . 9 VAL HG21 1 1 12 4203 1 1 9 VAL HG22 H 0.469 -9.672 -6.503 1.00 . A A . 9 VAL HG22 1 1 12 4204 1 1 9 VAL HG23 H 1.167 -8.075 -6.241 1.00 . A A . 9 VAL HG23 1 1 12 4205 1 1 9 VAL N N -2.902 -7.517 -5.824 1.00 . A A . 9 VAL N 1 1 12 4206 1 1 9 VAL O O 0.196 -7.630 -4.068 1.00 . A A . 9 VAL O 1 1 12 4207 1 1 10 CYS C C -1.036 -4.969 -2.336 1.00 . A A . 10 CYS C 1 1 12 4208 1 1 10 CYS CA C -0.414 -4.947 -3.729 1.00 . A A . 10 CYS CA 1 1 12 4209 1 1 10 CYS CB C -0.463 -3.529 -4.301 1.00 . A A . 10 CYS CB 1 1 12 4210 1 1 10 CYS H H -1.849 -5.551 -5.163 1.00 . A A . 10 CYS H 1 1 12 4211 1 1 10 CYS HA H 0.617 -5.260 -3.655 1.00 . A A . 10 CYS HA 1 1 12 4212 1 1 10 CYS HB2 H -0.322 -3.576 -5.370 1.00 . A A . 10 CYS HB2 1 1 12 4213 1 1 10 CYS HB3 H -1.430 -3.098 -4.089 1.00 . A A . 10 CYS HB3 1 1 12 4214 1 1 10 CYS N N -1.100 -5.875 -4.621 1.00 . A A . 10 CYS N 1 1 12 4215 1 1 10 CYS O O -0.356 -5.236 -1.346 1.00 . A A . 10 CYS O 1 1 12 4216 1 1 10 CYS SG S 0.804 -2.409 -3.625 1.00 . A A . 10 CYS SG 1 1 12 4217 1 1 11 ALA C C -3.032 -6.050 -0.343 1.00 . A A . 11 ALA C 1 1 12 4218 1 1 11 ALA CA C -3.047 -4.672 -0.997 1.00 . A A . 11 ALA CA 1 1 12 4219 1 1 11 ALA CB C -4.478 -4.202 -1.203 1.00 . A A . 11 ALA CB 1 1 12 4220 1 1 11 ALA H H -2.821 -4.481 -3.093 1.00 . A A . 11 ALA H 1 1 12 4221 1 1 11 ALA HA H -2.552 -3.969 -0.344 1.00 . A A . 11 ALA HA 1 1 12 4222 1 1 11 ALA HB1 H -4.525 -3.553 -2.065 1.00 . A A . 11 ALA HB1 1 1 12 4223 1 1 11 ALA HB2 H -4.808 -3.659 -0.328 1.00 . A A . 11 ALA HB2 1 1 12 4224 1 1 11 ALA HB3 H -5.120 -5.056 -1.360 1.00 . A A . 11 ALA HB3 1 1 12 4225 1 1 11 ALA N N -2.332 -4.686 -2.268 1.00 . A A . 11 ALA N 1 1 12 4226 1 1 11 ALA O O -2.764 -6.177 0.853 1.00 . A A . 11 ALA O 1 1 12 4227 1 1 12 ALA C C -1.954 -9.086 -0.662 1.00 . A A . 12 ALA C 1 1 12 4228 1 1 12 ALA CA C -3.344 -8.450 -0.633 1.00 . A A . 12 ALA CA 1 1 12 4229 1 1 12 ALA CB C -4.323 -9.287 -1.442 1.00 . A A . 12 ALA CB 1 1 12 4230 1 1 12 ALA H H -3.528 -6.912 -2.077 1.00 . A A . 12 ALA H 1 1 12 4231 1 1 12 ALA HA H -3.693 -8.424 0.389 1.00 . A A . 12 ALA HA 1 1 12 4232 1 1 12 ALA HB1 H -4.818 -9.991 -0.790 1.00 . A A . 12 ALA HB1 1 1 12 4233 1 1 12 ALA HB2 H -3.788 -9.823 -2.212 1.00 . A A . 12 ALA HB2 1 1 12 4234 1 1 12 ALA HB3 H -5.059 -8.640 -1.898 1.00 . A A . 12 ALA HB3 1 1 12 4235 1 1 12 ALA N N -3.322 -7.079 -1.132 1.00 . A A . 12 ALA N 1 1 12 4236 1 1 12 ALA O O -1.820 -10.284 -0.912 1.00 . A A . 12 ALA O 1 1 12 4237 1 1 13 ALA C C 0.916 -9.135 1.005 1.00 . A A . 13 ALA C 1 1 12 4238 1 1 13 ALA CA C 0.447 -8.784 -0.406 1.00 . A A . 13 ALA CA 1 1 12 4239 1 1 13 ALA CB C 1.380 -7.760 -1.034 1.00 . A A . 13 ALA CB 1 1 12 4240 1 1 13 ALA H H -1.086 -7.341 -0.212 1.00 . A A . 13 ALA H 1 1 12 4241 1 1 13 ALA HA H 0.473 -9.677 -1.011 1.00 . A A . 13 ALA HA 1 1 12 4242 1 1 13 ALA HB1 H 0.826 -7.149 -1.732 1.00 . A A . 13 ALA HB1 1 1 12 4243 1 1 13 ALA HB2 H 2.176 -8.270 -1.554 1.00 . A A . 13 ALA HB2 1 1 12 4244 1 1 13 ALA HB3 H 1.799 -7.133 -0.260 1.00 . A A . 13 ALA HB3 1 1 12 4245 1 1 13 ALA N N -0.924 -8.285 -0.406 1.00 . A A . 13 ALA N 1 1 12 4246 1 1 13 ALA O O 2.036 -9.612 1.194 1.00 . A A . 13 ALA O 1 1 12 4247 1 1 14 ALA C C 1.667 -8.472 3.810 1.00 . A A . 14 ALA C 1 1 12 4248 1 1 14 ALA CA C 0.392 -9.193 3.384 1.00 . A A . 14 ALA CA 1 1 12 4249 1 1 14 ALA CB C 0.540 -10.694 3.583 1.00 . A A . 14 ALA CB 1 1 12 4250 1 1 14 ALA H H -0.820 -8.519 1.786 1.00 . A A . 14 ALA H 1 1 12 4251 1 1 14 ALA HA H -0.426 -8.851 4.001 1.00 . A A . 14 ALA HA 1 1 12 4252 1 1 14 ALA HB1 H 1.192 -11.095 2.822 1.00 . A A . 14 ALA HB1 1 1 12 4253 1 1 14 ALA HB2 H -0.430 -11.163 3.512 1.00 . A A . 14 ALA HB2 1 1 12 4254 1 1 14 ALA HB3 H 0.962 -10.887 4.559 1.00 . A A . 14 ALA HB3 1 1 12 4255 1 1 14 ALA N N 0.058 -8.898 1.994 1.00 . A A . 14 ALA N 1 1 12 4256 1 1 14 ALA O O 2.413 -8.961 4.660 1.00 . A A . 14 ALA O 1 1 12 4257 1 1 15 ASN C C 2.788 -5.030 3.497 1.00 . A A . 15 ASN C 1 1 12 4258 1 1 15 ASN CA C 3.098 -6.523 3.536 1.00 . A A . 15 ASN CA 1 1 12 4259 1 1 15 ASN CB C 4.229 -6.849 2.559 1.00 . A A . 15 ASN CB 1 1 12 4260 1 1 15 ASN CG C 5.582 -6.910 3.242 1.00 . A A . 15 ASN CG 1 1 12 4261 1 1 15 ASN H H 1.280 -6.972 2.548 1.00 . A A . 15 ASN H 1 1 12 4262 1 1 15 ASN HA H 3.410 -6.787 4.535 1.00 . A A . 15 ASN HA 1 1 12 4263 1 1 15 ASN HB2 H 4.036 -7.806 2.100 1.00 . A A . 15 ASN HB2 1 1 12 4264 1 1 15 ASN HB3 H 4.266 -6.087 1.794 1.00 . A A . 15 ASN HB3 1 1 12 4265 1 1 15 ASN HD21 H 5.200 -5.213 4.207 1.00 . A A . 15 ASN HD21 1 1 12 4266 1 1 15 ASN HD22 H 6.736 -5.934 4.533 1.00 . A A . 15 ASN HD22 1 1 12 4267 1 1 15 ASN N N 1.911 -7.309 3.216 1.00 . A A . 15 ASN N 1 1 12 4268 1 1 15 ASN ND2 N 5.868 -5.919 4.079 1.00 . A A . 15 ASN ND2 1 1 12 4269 1 1 15 ASN O O 2.611 -4.451 2.425 1.00 . A A . 15 ASN O 1 1 12 4270 1 1 15 ASN OD1 O 6.360 -7.837 3.020 1.00 . A A . 15 ASN OD1 1 1 12 4271 1 1 16 VAL C C 3.603 -2.155 4.250 1.00 . A A . 16 VAL C 1 1 12 4272 1 1 16 VAL CA C 2.438 -2.988 4.772 1.00 . A A . 16 VAL CA 1 1 12 4273 1 1 16 VAL CB C 2.138 -2.576 6.225 1.00 . A A . 16 VAL CB 1 1 12 4274 1 1 16 VAL CG1 C 1.651 -1.136 6.284 1.00 . A A . 16 VAL CG1 1 1 12 4275 1 1 16 VAL CG2 C 1.118 -3.518 6.847 1.00 . A A . 16 VAL CG2 1 1 12 4276 1 1 16 VAL H H 2.876 -4.929 5.491 1.00 . A A . 16 VAL H 1 1 12 4277 1 1 16 VAL HA H 1.563 -2.781 4.173 1.00 . A A . 16 VAL HA 1 1 12 4278 1 1 16 VAL HB H 3.053 -2.645 6.794 1.00 . A A . 16 VAL HB 1 1 12 4279 1 1 16 VAL HG11 H 0.572 -1.123 6.332 1.00 . A A . 16 VAL HG11 1 1 12 4280 1 1 16 VAL HG12 H 1.977 -0.609 5.399 1.00 . A A . 16 VAL HG12 1 1 12 4281 1 1 16 VAL HG13 H 2.057 -0.654 7.160 1.00 . A A . 16 VAL HG13 1 1 12 4282 1 1 16 VAL HG21 H 0.510 -2.973 7.554 1.00 . A A . 16 VAL HG21 1 1 12 4283 1 1 16 VAL HG22 H 1.632 -4.320 7.356 1.00 . A A . 16 VAL HG22 1 1 12 4284 1 1 16 VAL HG23 H 0.488 -3.929 6.072 1.00 . A A . 16 VAL HG23 1 1 12 4285 1 1 16 VAL N N 2.726 -4.413 4.672 1.00 . A A . 16 VAL N 1 1 12 4286 1 1 16 VAL O O 3.408 -1.193 3.508 1.00 . A A . 16 VAL O 1 1 12 4287 1 1 17 ALA C C 6.215 -1.943 2.708 1.00 . A A . 17 ALA C 1 1 12 4288 1 1 17 ALA CA C 6.012 -1.818 4.214 1.00 . A A . 17 ALA CA 1 1 12 4289 1 1 17 ALA CB C 7.233 -2.340 4.957 1.00 . A A . 17 ALA CB 1 1 12 4290 1 1 17 ALA H H 4.908 -3.307 5.235 1.00 . A A . 17 ALA H 1 1 12 4291 1 1 17 ALA HA H 5.887 -0.775 4.464 1.00 . A A . 17 ALA HA 1 1 12 4292 1 1 17 ALA HB1 H 7.278 -1.889 5.937 1.00 . A A . 17 ALA HB1 1 1 12 4293 1 1 17 ALA HB2 H 8.126 -2.091 4.404 1.00 . A A . 17 ALA HB2 1 1 12 4294 1 1 17 ALA HB3 H 7.161 -3.413 5.058 1.00 . A A . 17 ALA HB3 1 1 12 4295 1 1 17 ALA N N 4.816 -2.531 4.643 1.00 . A A . 17 ALA N 1 1 12 4296 1 1 17 ALA O O 6.486 -0.957 2.024 1.00 . A A . 17 ALA O 1 1 12 4297 1 1 18 ALA C C 5.281 -2.566 -0.052 1.00 . A A . 18 ALA C 1 1 12 4298 1 1 18 ALA CA C 6.243 -3.416 0.769 1.00 . A A . 18 ALA CA 1 1 12 4299 1 1 18 ALA CB C 6.036 -4.893 0.469 1.00 . A A . 18 ALA CB 1 1 12 4300 1 1 18 ALA H H 5.859 -3.910 2.791 1.00 . A A . 18 ALA H 1 1 12 4301 1 1 18 ALA HA H 7.257 -3.156 0.501 1.00 . A A . 18 ALA HA 1 1 12 4302 1 1 18 ALA HB1 H 6.314 -5.479 1.331 1.00 . A A . 18 ALA HB1 1 1 12 4303 1 1 18 ALA HB2 H 6.648 -5.178 -0.374 1.00 . A A . 18 ALA HB2 1 1 12 4304 1 1 18 ALA HB3 H 4.997 -5.069 0.234 1.00 . A A . 18 ALA HB3 1 1 12 4305 1 1 18 ALA N N 6.078 -3.163 2.196 1.00 . A A . 18 ALA N 1 1 12 4306 1 1 18 ALA O O 5.616 -2.112 -1.146 1.00 . A A . 18 ALA O 1 1 12 4307 1 1 19 HIS C C 3.409 -0.064 -0.107 1.00 . A A . 19 HIS C 1 1 12 4308 1 1 19 HIS CA C 3.072 -1.553 -0.195 1.00 . A A . 19 HIS CA 1 1 12 4309 1 1 19 HIS CB C 1.685 -1.830 0.408 1.00 . A A . 19 HIS CB 1 1 12 4310 1 1 19 HIS CD2 C 0.332 0.198 1.267 1.00 . A A . 19 HIS CD2 1 1 12 4311 1 1 19 HIS CE1 C -0.616 0.714 -0.620 1.00 . A A . 19 HIS CE1 1 1 12 4312 1 1 19 HIS CG C 0.732 -0.676 0.310 1.00 . A A . 19 HIS CG 1 1 12 4313 1 1 19 HIS H H 3.878 -2.739 1.361 1.00 . A A . 19 HIS H 1 1 12 4314 1 1 19 HIS HA H 3.066 -1.846 -1.234 1.00 . A A . 19 HIS HA 1 1 12 4315 1 1 19 HIS HB2 H 1.241 -2.670 -0.104 1.00 . A A . 19 HIS HB2 1 1 12 4316 1 1 19 HIS HB3 H 1.801 -2.076 1.454 1.00 . A A . 19 HIS HB3 1 1 12 4317 1 1 19 HIS HD2 H 0.642 0.211 2.298 1.00 . A A . 19 HIS HD2 1 1 12 4318 1 1 19 HIS HE1 H -1.190 1.238 -1.368 1.00 . A A . 19 HIS HE1 1 1 12 4319 1 1 19 HIS HE2 H -1.118 1.710 1.127 1.00 . A A . 19 HIS HE2 1 1 12 4320 1 1 19 HIS N N 4.084 -2.352 0.486 1.00 . A A . 19 HIS N 1 1 12 4321 1 1 19 HIS ND1 N 0.125 -0.342 -0.875 1.00 . A A . 19 HIS ND1 1 1 12 4322 1 1 19 HIS NE2 N -0.527 1.080 0.665 1.00 . A A . 19 HIS NE2 1 1 12 4323 1 1 19 HIS O O 3.603 0.598 -1.125 1.00 . A A . 19 HIS O 1 1 12 4324 1 1 20 MET C C 4.963 2.330 0.513 1.00 . A A . 20 MET C 1 1 12 4325 1 1 20 MET CA C 3.770 1.866 1.346 1.00 . A A . 20 MET CA 1 1 12 4326 1 1 20 MET CB C 4.045 2.113 2.830 1.00 . A A . 20 MET CB 1 1 12 4327 1 1 20 MET CE C 4.621 3.324 5.908 1.00 . A A . 20 MET CE 1 1 12 4328 1 1 20 MET CG C 4.304 3.573 3.167 1.00 . A A . 20 MET CG 1 1 12 4329 1 1 20 MET H H 3.298 -0.127 1.888 1.00 . A A . 20 MET H 1 1 12 4330 1 1 20 MET HA H 2.901 2.438 1.052 1.00 . A A . 20 MET HA 1 1 12 4331 1 1 20 MET HB2 H 3.193 1.781 3.403 1.00 . A A . 20 MET HB2 1 1 12 4332 1 1 20 MET HB3 H 4.911 1.539 3.124 1.00 . A A . 20 MET HB3 1 1 12 4333 1 1 20 MET HE1 H 4.032 2.443 5.698 1.00 . A A . 20 MET HE1 1 1 12 4334 1 1 20 MET HE2 H 3.967 4.137 6.185 1.00 . A A . 20 MET HE2 1 1 12 4335 1 1 20 MET HE3 H 5.302 3.117 6.721 1.00 . A A . 20 MET HE3 1 1 12 4336 1 1 20 MET HG2 H 4.638 4.080 2.274 1.00 . A A . 20 MET HG2 1 1 12 4337 1 1 20 MET HG3 H 3.382 4.019 3.508 1.00 . A A . 20 MET HG3 1 1 12 4338 1 1 20 MET N N 3.468 0.453 1.117 1.00 . A A . 20 MET N 1 1 12 4339 1 1 20 MET O O 4.925 3.399 -0.097 1.00 . A A . 20 MET O 1 1 12 4340 1 1 20 MET SD S 5.554 3.779 4.449 1.00 . A A . 20 MET SD 1 1 12 4341 1 1 21 THR C C 6.893 2.089 -1.744 1.00 . A A . 21 THR C 1 1 12 4342 1 1 21 THR CA C 7.222 1.865 -0.269 1.00 . A A . 21 THR CA 1 1 12 4343 1 1 21 THR CB C 8.270 0.758 -0.129 1.00 . A A . 21 THR CB 1 1 12 4344 1 1 21 THR CG2 C 7.836 -0.559 -0.735 1.00 . A A . 21 THR CG2 1 1 12 4345 1 1 21 THR H H 5.997 0.688 0.998 1.00 . A A . 21 THR H 1 1 12 4346 1 1 21 THR HA H 7.623 2.780 0.140 1.00 . A A . 21 THR HA 1 1 12 4347 1 1 21 THR HB H 8.462 0.590 0.921 1.00 . A A . 21 THR HB 1 1 12 4348 1 1 21 THR HG1 H 10.132 0.437 -0.639 1.00 . A A . 21 THR HG1 1 1 12 4349 1 1 21 THR HG21 H 7.024 -0.387 -1.426 1.00 . A A . 21 THR HG21 1 1 12 4350 1 1 21 THR HG22 H 7.508 -1.226 0.048 1.00 . A A . 21 THR HG22 1 1 12 4351 1 1 21 THR HG23 H 8.667 -1.004 -1.261 1.00 . A A . 21 THR HG23 1 1 12 4352 1 1 21 THR N N 6.022 1.526 0.492 1.00 . A A . 21 THR N 1 1 12 4353 1 1 21 THR O O 7.604 2.808 -2.445 1.00 . A A . 21 THR O 1 1 12 4354 1 1 21 THR OG1 O 9.485 1.138 -0.749 1.00 . A A . 21 THR OG1 1 1 12 4355 1 1 22 HIS C C 4.026 2.286 -3.687 1.00 . A A . 22 HIS C 1 1 12 4356 1 1 22 HIS CA C 5.386 1.590 -3.591 1.00 . A A . 22 HIS CA 1 1 12 4357 1 1 22 HIS CB C 5.339 0.193 -4.241 1.00 . A A . 22 HIS CB 1 1 12 4358 1 1 22 HIS CD2 C 2.772 -0.182 -4.536 1.00 . A A . 22 HIS CD2 1 1 12 4359 1 1 22 HIS CE1 C 2.777 -0.677 -6.674 1.00 . A A . 22 HIS CE1 1 1 12 4360 1 1 22 HIS CG C 4.062 -0.129 -4.968 1.00 . A A . 22 HIS CG 1 1 12 4361 1 1 22 HIS H H 5.292 0.908 -1.601 1.00 . A A . 22 HIS H 1 1 12 4362 1 1 22 HIS HA H 6.116 2.189 -4.100 1.00 . A A . 22 HIS HA 1 1 12 4363 1 1 22 HIS HB2 H 6.145 0.114 -4.953 1.00 . A A . 22 HIS HB2 1 1 12 4364 1 1 22 HIS HB3 H 5.477 -0.552 -3.471 1.00 . A A . 22 HIS HB3 1 1 12 4365 1 1 22 HIS HD1 H 4.799 -0.493 -6.907 1.00 . A A . 22 HIS HD1 1 1 12 4366 1 1 22 HIS HD2 H 2.416 0.016 -3.529 1.00 . A A . 22 HIS HD2 1 1 12 4367 1 1 22 HIS HE1 H 2.448 -0.947 -7.666 1.00 . A A . 22 HIS HE1 1 1 12 4368 1 1 22 HIS HE2 H 1.020 -0.567 -5.628 1.00 . A A . 22 HIS HE2 1 1 12 4369 1 1 22 HIS N N 5.814 1.466 -2.206 1.00 . A A . 22 HIS N 1 1 12 4370 1 1 22 HIS ND1 N 4.025 -0.446 -6.310 1.00 . A A . 22 HIS ND1 1 1 12 4371 1 1 22 HIS NE2 N 1.998 -0.524 -5.618 1.00 . A A . 22 HIS NE2 1 1 12 4372 1 1 22 HIS O O 3.453 2.407 -4.769 1.00 . A A . 22 HIS O 1 1 12 4373 1 1 23 CYS C C 2.197 4.490 -1.469 1.00 . A A . 23 CYS C 1 1 12 4374 1 1 23 CYS CA C 2.212 3.367 -2.503 1.00 . A A . 23 CYS CA 1 1 12 4375 1 1 23 CYS CB C 1.164 2.319 -2.145 1.00 . A A . 23 CYS CB 1 1 12 4376 1 1 23 CYS H H 3.995 2.586 -1.715 1.00 . A A . 23 CYS H 1 1 12 4377 1 1 23 CYS HA H 1.995 3.772 -3.479 1.00 . A A . 23 CYS HA 1 1 12 4378 1 1 23 CYS HB2 H 1.648 1.520 -1.602 1.00 . A A . 23 CYS HB2 1 1 12 4379 1 1 23 CYS HB3 H 0.422 2.767 -1.507 1.00 . A A . 23 CYS HB3 1 1 12 4380 1 1 23 CYS N N 3.508 2.723 -2.548 1.00 . A A . 23 CYS N 1 1 12 4381 1 1 23 CYS O O 1.748 4.300 -0.339 1.00 . A A . 23 CYS O 1 1 12 4382 1 1 23 CYS SG S 0.311 1.563 -3.571 1.00 . A A . 23 CYS SG 1 1 12 4383 1 1 24 ALA C C 1.329 7.255 -0.581 1.00 . A A . 24 ALA C 1 1 12 4384 1 1 24 ALA CA C 2.734 6.810 -0.973 1.00 . A A . 24 ALA CA 1 1 12 4385 1 1 24 ALA CB C 3.488 7.957 -1.629 1.00 . A A . 24 ALA CB 1 1 12 4386 1 1 24 ALA H H 3.035 5.747 -2.778 1.00 . A A . 24 ALA H 1 1 12 4387 1 1 24 ALA HA H 3.271 6.521 -0.081 1.00 . A A . 24 ALA HA 1 1 12 4388 1 1 24 ALA HB1 H 4.087 8.465 -0.888 1.00 . A A . 24 ALA HB1 1 1 12 4389 1 1 24 ALA HB2 H 2.782 8.652 -2.060 1.00 . A A . 24 ALA HB2 1 1 12 4390 1 1 24 ALA HB3 H 4.130 7.568 -2.406 1.00 . A A . 24 ALA HB3 1 1 12 4391 1 1 24 ALA N N 2.690 5.659 -1.865 1.00 . A A . 24 ALA N 1 1 12 4392 1 1 24 ALA O O 0.337 6.723 -1.080 1.00 . A A . 24 ALA O 1 1 12 4393 1 1 25 LYS C C -0.016 10.272 0.836 1.00 . A A . 25 LYS C 1 1 12 4394 1 1 25 LYS CA C -0.033 8.749 0.774 1.00 . A A . 25 LYS CA 1 1 12 4395 1 1 25 LYS CB C -0.374 8.175 2.151 1.00 . A A . 25 LYS CB 1 1 12 4396 1 1 25 LYS CD C -1.964 9.734 3.315 1.00 . A A . 25 LYS CD 1 1 12 4397 1 1 25 LYS CE C -3.015 9.639 4.410 1.00 . A A . 25 LYS CE 1 1 12 4398 1 1 25 LYS CG C -1.815 8.418 2.570 1.00 . A A . 25 LYS CG 1 1 12 4399 1 1 25 LYS H H 2.078 8.617 0.677 1.00 . A A . 25 LYS H 1 1 12 4400 1 1 25 LYS HA H -0.787 8.438 0.067 1.00 . A A . 25 LYS HA 1 1 12 4401 1 1 25 LYS HB2 H -0.200 7.109 2.137 1.00 . A A . 25 LYS HB2 1 1 12 4402 1 1 25 LYS HB3 H 0.273 8.627 2.887 1.00 . A A . 25 LYS HB3 1 1 12 4403 1 1 25 LYS HD2 H -1.016 9.994 3.762 1.00 . A A . 25 LYS HD2 1 1 12 4404 1 1 25 LYS HD3 H -2.256 10.502 2.614 1.00 . A A . 25 LYS HD3 1 1 12 4405 1 1 25 LYS HE2 H -3.682 8.822 4.180 1.00 . A A . 25 LYS HE2 1 1 12 4406 1 1 25 LYS HE3 H -2.521 9.446 5.350 1.00 . A A . 25 LYS HE3 1 1 12 4407 1 1 25 LYS HG2 H -2.437 8.442 1.689 1.00 . A A . 25 LYS HG2 1 1 12 4408 1 1 25 LYS HG3 H -2.133 7.611 3.215 1.00 . A A . 25 LYS HG3 1 1 12 4409 1 1 25 LYS HZ1 H -3.383 11.521 5.240 1.00 . A A . 25 LYS HZ1 1 1 12 4410 1 1 25 LYS HZ2 H -4.784 10.674 4.813 1.00 . A A . 25 LYS HZ2 1 1 12 4411 1 1 25 LYS HZ3 H -3.832 11.390 3.614 1.00 . A A . 25 LYS HZ3 1 1 12 4412 1 1 25 LYS N N 1.252 8.232 0.315 1.00 . A A . 25 LYS N 1 1 12 4413 1 1 25 LYS NZ N -3.809 10.893 4.528 1.00 . A A . 25 LYS NZ 1 1 12 4414 1 1 25 LYS O O 0.699 10.822 1.701 1.00 . A A . 25 LYS O 1 1 12 4415 1 1 25 LYS OXT O -0.717 10.905 0.018 1.00 . A A . 25 LYS OXT 1 1 12 4416 2 2 1 ZN ZN ZN -0.279 -0.548 -2.811 1.00 . B A . 26 ZN ZN 1 1 13 4417 1 1 1 ARG C C -2.433 -0.206 6.360 1.00 . A A . 1 ARG C 1 1 13 4418 1 1 1 ARG CA C -2.568 0.003 7.865 1.00 . A A . 1 ARG CA 1 1 13 4419 1 1 1 ARG CB C -4.024 -0.189 8.296 1.00 . A A . 1 ARG CB 1 1 13 4420 1 1 1 ARG CD C -5.677 -1.716 9.416 1.00 . A A . 1 ARG CD 1 1 13 4421 1 1 1 ARG CG C -4.374 -1.628 8.638 1.00 . A A . 1 ARG CG 1 1 13 4422 1 1 1 ARG CZ C -5.027 -2.955 11.444 1.00 . A A . 1 ARG CZ 1 1 13 4423 1 1 1 ARG H1 H -2.549 2.041 7.581 1.00 . A A . 1 ARG H1 1 1 13 4424 1 1 1 ARG H2 H -1.095 1.393 8.224 1.00 . A A . 1 ARG H2 1 1 13 4425 1 1 1 ARG H3 H -2.483 1.548 9.222 1.00 . A A . 1 ARG H3 1 1 13 4426 1 1 1 ARG HA H -1.948 -0.716 8.378 1.00 . A A . 1 ARG HA 1 1 13 4427 1 1 1 ARG HB2 H -4.213 0.422 9.167 1.00 . A A . 1 ARG HB2 1 1 13 4428 1 1 1 ARG HB3 H -4.671 0.135 7.493 1.00 . A A . 1 ARG HB3 1 1 13 4429 1 1 1 ARG HD2 H -5.788 -0.820 10.008 1.00 . A A . 1 ARG HD2 1 1 13 4430 1 1 1 ARG HD3 H -6.494 -1.788 8.714 1.00 . A A . 1 ARG HD3 1 1 13 4431 1 1 1 ARG HE H -6.265 -3.636 10.035 1.00 . A A . 1 ARG HE 1 1 13 4432 1 1 1 ARG HG2 H -4.474 -2.191 7.722 1.00 . A A . 1 ARG HG2 1 1 13 4433 1 1 1 ARG HG3 H -3.578 -2.048 9.236 1.00 . A A . 1 ARG HG3 1 1 13 4434 1 1 1 ARG HH11 H -4.193 -1.119 11.281 1.00 . A A . 1 ARG HH11 1 1 13 4435 1 1 1 ARG HH12 H -3.753 -2.011 12.699 1.00 . A A . 1 ARG HH12 1 1 13 4436 1 1 1 ARG HH21 H -5.687 -4.810 11.898 1.00 . A A . 1 ARG HH21 1 1 13 4437 1 1 1 ARG HH22 H -4.601 -4.107 13.049 1.00 . A A . 1 ARG HH22 1 1 13 4438 1 1 1 ARG N N -2.135 1.369 8.259 1.00 . A A . 1 ARG N 1 1 13 4439 1 1 1 ARG NE N -5.708 -2.876 10.303 1.00 . A A . 1 ARG NE 1 1 13 4440 1 1 1 ARG NH1 N -4.262 -1.946 11.839 1.00 . A A . 1 ARG NH1 1 1 13 4441 1 1 1 ARG NH2 N -5.112 -4.047 12.192 1.00 . A A . 1 ARG NH2 1 1 13 4442 1 1 1 ARG O O -2.415 0.752 5.589 1.00 . A A . 1 ARG O 1 1 13 4443 1 1 2 VAL C C -3.564 -2.147 3.926 1.00 . A A . 2 VAL C 1 1 13 4444 1 1 2 VAL CA C -2.208 -1.803 4.538 1.00 . A A . 2 VAL CA 1 1 13 4445 1 1 2 VAL CB C -1.237 -2.985 4.332 1.00 . A A . 2 VAL CB 1 1 13 4446 1 1 2 VAL CG1 C -1.768 -4.243 5.003 1.00 . A A . 2 VAL CG1 1 1 13 4447 1 1 2 VAL CG2 C -0.990 -3.224 2.849 1.00 . A A . 2 VAL CG2 1 1 13 4448 1 1 2 VAL H H -2.362 -2.189 6.612 1.00 . A A . 2 VAL H 1 1 13 4449 1 1 2 VAL HA H -1.804 -0.940 4.028 1.00 . A A . 2 VAL HA 1 1 13 4450 1 1 2 VAL HB H -0.294 -2.730 4.793 1.00 . A A . 2 VAL HB 1 1 13 4451 1 1 2 VAL HG11 H -1.679 -4.143 6.074 1.00 . A A . 2 VAL HG11 1 1 13 4452 1 1 2 VAL HG12 H -1.195 -5.096 4.672 1.00 . A A . 2 VAL HG12 1 1 13 4453 1 1 2 VAL HG13 H -2.806 -4.381 4.738 1.00 . A A . 2 VAL HG13 1 1 13 4454 1 1 2 VAL HG21 H -1.248 -2.335 2.292 1.00 . A A . 2 VAL HG21 1 1 13 4455 1 1 2 VAL HG22 H -1.599 -4.049 2.512 1.00 . A A . 2 VAL HG22 1 1 13 4456 1 1 2 VAL HG23 H 0.053 -3.458 2.691 1.00 . A A . 2 VAL HG23 1 1 13 4457 1 1 2 VAL N N -2.340 -1.468 5.950 1.00 . A A . 2 VAL N 1 1 13 4458 1 1 2 VAL O O -3.684 -3.085 3.137 1.00 . A A . 2 VAL O 1 1 13 4459 1 1 3 ILE C C -6.447 -0.365 3.051 1.00 . A A . 3 ILE C 1 1 13 4460 1 1 3 ILE CA C -5.931 -1.600 3.786 1.00 . A A . 3 ILE CA 1 1 13 4461 1 1 3 ILE CB C -6.909 -1.966 4.923 1.00 . A A . 3 ILE CB 1 1 13 4462 1 1 3 ILE CD1 C -8.912 -3.527 5.081 1.00 . A A . 3 ILE CD1 1 1 13 4463 1 1 3 ILE CG1 C -8.269 -2.370 4.350 1.00 . A A . 3 ILE CG1 1 1 13 4464 1 1 3 ILE CG2 C -7.059 -0.804 5.895 1.00 . A A . 3 ILE CG2 1 1 13 4465 1 1 3 ILE H H -4.427 -0.647 4.928 1.00 . A A . 3 ILE H 1 1 13 4466 1 1 3 ILE HA H -5.893 -2.428 3.092 1.00 . A A . 3 ILE HA 1 1 13 4467 1 1 3 ILE HB H -6.494 -2.801 5.465 1.00 . A A . 3 ILE HB 1 1 13 4468 1 1 3 ILE HD11 H -9.224 -4.275 4.367 1.00 . A A . 3 ILE HD11 1 1 13 4469 1 1 3 ILE HD12 H -9.772 -3.173 5.630 1.00 . A A . 3 ILE HD12 1 1 13 4470 1 1 3 ILE HD13 H -8.199 -3.960 5.767 1.00 . A A . 3 ILE HD13 1 1 13 4471 1 1 3 ILE HG12 H -8.941 -1.527 4.408 1.00 . A A . 3 ILE HG12 1 1 13 4472 1 1 3 ILE HG13 H -8.145 -2.657 3.315 1.00 . A A . 3 ILE HG13 1 1 13 4473 1 1 3 ILE HG21 H -6.151 -0.219 5.900 1.00 . A A . 3 ILE HG21 1 1 13 4474 1 1 3 ILE HG22 H -7.247 -1.186 6.887 1.00 . A A . 3 ILE HG22 1 1 13 4475 1 1 3 ILE HG23 H -7.886 -0.181 5.586 1.00 . A A . 3 ILE HG23 1 1 13 4476 1 1 3 ILE N N -4.584 -1.379 4.296 1.00 . A A . 3 ILE N 1 1 13 4477 1 1 3 ILE O O -7.637 -0.051 3.100 1.00 . A A . 3 ILE O 1 1 13 4478 1 1 4 ALA C C -5.374 1.470 0.196 1.00 . A A . 4 ALA C 1 1 13 4479 1 1 4 ALA CA C -5.904 1.530 1.624 1.00 . A A . 4 ALA CA 1 1 13 4480 1 1 4 ALA CB C -5.379 2.769 2.332 1.00 . A A . 4 ALA CB 1 1 13 4481 1 1 4 ALA H H -4.610 0.030 2.369 1.00 . A A . 4 ALA H 1 1 13 4482 1 1 4 ALA HA H -6.983 1.592 1.595 1.00 . A A . 4 ALA HA 1 1 13 4483 1 1 4 ALA HB1 H -6.123 3.131 3.027 1.00 . A A . 4 ALA HB1 1 1 13 4484 1 1 4 ALA HB2 H -5.163 3.537 1.603 1.00 . A A . 4 ALA HB2 1 1 13 4485 1 1 4 ALA HB3 H -4.476 2.521 2.870 1.00 . A A . 4 ALA HB3 1 1 13 4486 1 1 4 ALA N N -5.543 0.331 2.370 1.00 . A A . 4 ALA N 1 1 13 4487 1 1 4 ALA O O -5.076 2.499 -0.410 1.00 . A A . 4 ALA O 1 1 13 4488 1 1 5 CYS C C -5.842 -0.554 -2.583 1.00 . A A . 5 CYS C 1 1 13 4489 1 1 5 CYS CA C -4.765 0.064 -1.696 1.00 . A A . 5 CYS CA 1 1 13 4490 1 1 5 CYS CB C -3.523 -0.828 -1.687 1.00 . A A . 5 CYS CB 1 1 13 4491 1 1 5 CYS H H -5.513 -0.525 0.195 1.00 . A A . 5 CYS H 1 1 13 4492 1 1 5 CYS HA H -4.500 1.031 -2.093 1.00 . A A . 5 CYS HA 1 1 13 4493 1 1 5 CYS HB2 H -2.853 -0.493 -0.910 1.00 . A A . 5 CYS HB2 1 1 13 4494 1 1 5 CYS HB3 H -3.821 -1.847 -1.483 1.00 . A A . 5 CYS HB3 1 1 13 4495 1 1 5 CYS N N -5.259 0.258 -0.337 1.00 . A A . 5 CYS N 1 1 13 4496 1 1 5 CYS O O -6.636 -1.378 -2.129 1.00 . A A . 5 CYS O 1 1 13 4497 1 1 5 CYS SG S -2.596 -0.826 -3.257 1.00 . A A . 5 CYS SG 1 1 13 4498 1 1 6 PHE C C -6.204 -1.680 -5.740 1.00 . A A . 6 PHE C 1 1 13 4499 1 1 6 PHE CA C -6.841 -0.663 -4.799 1.00 . A A . 6 PHE CA 1 1 13 4500 1 1 6 PHE CB C -7.449 0.485 -5.606 1.00 . A A . 6 PHE CB 1 1 13 4501 1 1 6 PHE CD1 C -5.729 2.300 -5.812 1.00 . A A . 6 PHE CD1 1 1 13 4502 1 1 6 PHE CD2 C -6.197 0.960 -7.728 1.00 . A A . 6 PHE CD2 1 1 13 4503 1 1 6 PHE CE1 C -4.798 3.018 -6.538 1.00 . A A . 6 PHE CE1 1 1 13 4504 1 1 6 PHE CE2 C -5.267 1.676 -8.460 1.00 . A A . 6 PHE CE2 1 1 13 4505 1 1 6 PHE CG C -6.438 1.264 -6.398 1.00 . A A . 6 PHE CG 1 1 13 4506 1 1 6 PHE CZ C -4.567 2.706 -7.863 1.00 . A A . 6 PHE CZ 1 1 13 4507 1 1 6 PHE H H -5.202 0.509 -4.150 1.00 . A A . 6 PHE H 1 1 13 4508 1 1 6 PHE HA H -7.624 -1.151 -4.238 1.00 . A A . 6 PHE HA 1 1 13 4509 1 1 6 PHE HB2 H -8.175 0.084 -6.298 1.00 . A A . 6 PHE HB2 1 1 13 4510 1 1 6 PHE HB3 H -7.943 1.169 -4.931 1.00 . A A . 6 PHE HB3 1 1 13 4511 1 1 6 PHE HD1 H -5.909 2.546 -4.776 1.00 . A A . 6 PHE HD1 1 1 13 4512 1 1 6 PHE HD2 H -6.744 0.155 -8.195 1.00 . A A . 6 PHE HD2 1 1 13 4513 1 1 6 PHE HE1 H -4.252 3.824 -6.069 1.00 . A A . 6 PHE HE1 1 1 13 4514 1 1 6 PHE HE2 H -5.088 1.429 -9.495 1.00 . A A . 6 PHE HE2 1 1 13 4515 1 1 6 PHE HZ H -3.839 3.266 -8.432 1.00 . A A . 6 PHE HZ 1 1 13 4516 1 1 6 PHE N N -5.862 -0.149 -3.848 1.00 . A A . 6 PHE N 1 1 13 4517 1 1 6 PHE O O -6.563 -1.763 -6.916 1.00 . A A . 6 PHE O 1 1 13 4518 1 1 7 LEU C C -4.554 -4.806 -5.284 1.00 . A A . 7 LEU C 1 1 13 4519 1 1 7 LEU CA C -4.571 -3.464 -6.010 1.00 . A A . 7 LEU CA 1 1 13 4520 1 1 7 LEU CB C -3.139 -3.018 -6.314 1.00 . A A . 7 LEU CB 1 1 13 4521 1 1 7 LEU CD1 C -1.588 -1.492 -7.559 1.00 . A A . 7 LEU CD1 1 1 13 4522 1 1 7 LEU CD2 C -3.341 -2.775 -8.801 1.00 . A A . 7 LEU CD2 1 1 13 4523 1 1 7 LEU CG C -2.996 -2.063 -7.500 1.00 . A A . 7 LEU CG 1 1 13 4524 1 1 7 LEU H H -5.015 -2.338 -4.273 1.00 . A A . 7 LEU H 1 1 13 4525 1 1 7 LEU HA H -5.108 -3.578 -6.940 1.00 . A A . 7 LEU HA 1 1 13 4526 1 1 7 LEU HB2 H -2.742 -2.531 -5.436 1.00 . A A . 7 LEU HB2 1 1 13 4527 1 1 7 LEU HB3 H -2.546 -3.898 -6.517 1.00 . A A . 7 LEU HB3 1 1 13 4528 1 1 7 LEU HD11 H -0.988 -2.084 -8.235 1.00 . A A . 7 LEU HD11 1 1 13 4529 1 1 7 LEU HD12 H -1.149 -1.514 -6.573 1.00 . A A . 7 LEU HD12 1 1 13 4530 1 1 7 LEU HD13 H -1.628 -0.473 -7.914 1.00 . A A . 7 LEU HD13 1 1 13 4531 1 1 7 LEU HD21 H -2.771 -2.342 -9.609 1.00 . A A . 7 LEU HD21 1 1 13 4532 1 1 7 LEU HD22 H -4.395 -2.663 -9.003 1.00 . A A . 7 LEU HD22 1 1 13 4533 1 1 7 LEU HD23 H -3.099 -3.824 -8.711 1.00 . A A . 7 LEU HD23 1 1 13 4534 1 1 7 LEU HG H -3.685 -1.240 -7.376 1.00 . A A . 7 LEU HG 1 1 13 4535 1 1 7 LEU N N -5.258 -2.452 -5.217 1.00 . A A . 7 LEU N 1 1 13 4536 1 1 7 LEU O O -4.413 -4.860 -4.063 1.00 . A A . 7 LEU O 1 1 13 4537 1 1 8 LYS C C -3.297 -7.650 -5.067 1.00 . A A . 8 LYS C 1 1 13 4538 1 1 8 LYS CA C -4.705 -7.228 -5.473 1.00 . A A . 8 LYS CA 1 1 13 4539 1 1 8 LYS CB C -5.282 -8.230 -6.474 1.00 . A A . 8 LYS CB 1 1 13 4540 1 1 8 LYS CD C -6.560 -7.189 -8.372 1.00 . A A . 8 LYS CD 1 1 13 4541 1 1 8 LYS CE C -7.851 -7.354 -9.158 1.00 . A A . 8 LYS CE 1 1 13 4542 1 1 8 LYS CG C -6.654 -7.841 -7.002 1.00 . A A . 8 LYS CG 1 1 13 4543 1 1 8 LYS H H -4.812 -5.778 -7.012 1.00 . A A . 8 LYS H 1 1 13 4544 1 1 8 LYS HA H -5.330 -7.211 -4.592 1.00 . A A . 8 LYS HA 1 1 13 4545 1 1 8 LYS HB2 H -4.606 -8.312 -7.313 1.00 . A A . 8 LYS HB2 1 1 13 4546 1 1 8 LYS HB3 H -5.365 -9.194 -5.994 1.00 . A A . 8 LYS HB3 1 1 13 4547 1 1 8 LYS HD2 H -6.360 -6.136 -8.246 1.00 . A A . 8 LYS HD2 1 1 13 4548 1 1 8 LYS HD3 H -5.753 -7.648 -8.924 1.00 . A A . 8 LYS HD3 1 1 13 4549 1 1 8 LYS HE2 H -8.408 -8.180 -8.740 1.00 . A A . 8 LYS HE2 1 1 13 4550 1 1 8 LYS HE3 H -8.431 -6.448 -9.067 1.00 . A A . 8 LYS HE3 1 1 13 4551 1 1 8 LYS HG2 H -7.264 -8.728 -7.078 1.00 . A A . 8 LYS HG2 1 1 13 4552 1 1 8 LYS HG3 H -7.110 -7.146 -6.312 1.00 . A A . 8 LYS HG3 1 1 13 4553 1 1 8 LYS HZ1 H -7.594 -8.648 -10.777 1.00 . A A . 8 LYS HZ1 1 1 13 4554 1 1 8 LYS HZ2 H -6.670 -7.234 -10.876 1.00 . A A . 8 LYS HZ2 1 1 13 4555 1 1 8 LYS HZ3 H -8.333 -7.181 -11.183 1.00 . A A . 8 LYS HZ3 1 1 13 4556 1 1 8 LYS N N -4.702 -5.886 -6.044 1.00 . A A . 8 LYS N 1 1 13 4557 1 1 8 LYS NZ N -7.594 -7.624 -10.599 1.00 . A A . 8 LYS NZ 1 1 13 4558 1 1 8 LYS O O -3.031 -7.918 -3.896 1.00 . A A . 8 LYS O 1 1 13 4559 1 1 9 VAL C C -0.355 -7.162 -4.777 1.00 . A A . 9 VAL C 1 1 13 4560 1 1 9 VAL CA C -1.016 -8.096 -5.789 1.00 . A A . 9 VAL CA 1 1 13 4561 1 1 9 VAL CB C -0.187 -8.107 -7.089 1.00 . A A . 9 VAL CB 1 1 13 4562 1 1 9 VAL CG1 C -0.160 -6.724 -7.724 1.00 . A A . 9 VAL CG1 1 1 13 4563 1 1 9 VAL CG2 C 1.226 -8.606 -6.822 1.00 . A A . 9 VAL CG2 1 1 13 4564 1 1 9 VAL H H -2.669 -7.480 -6.958 1.00 . A A . 9 VAL H 1 1 13 4565 1 1 9 VAL HA H -1.023 -9.098 -5.384 1.00 . A A . 9 VAL HA 1 1 13 4566 1 1 9 VAL HB H -0.658 -8.786 -7.785 1.00 . A A . 9 VAL HB 1 1 13 4567 1 1 9 VAL HG11 H 0.787 -6.575 -8.222 1.00 . A A . 9 VAL HG11 1 1 13 4568 1 1 9 VAL HG12 H -0.286 -5.973 -6.957 1.00 . A A . 9 VAL HG12 1 1 13 4569 1 1 9 VAL HG13 H -0.962 -6.642 -8.442 1.00 . A A . 9 VAL HG13 1 1 13 4570 1 1 9 VAL HG21 H 1.870 -7.767 -6.603 1.00 . A A . 9 VAL HG21 1 1 13 4571 1 1 9 VAL HG22 H 1.596 -9.126 -7.693 1.00 . A A . 9 VAL HG22 1 1 13 4572 1 1 9 VAL HG23 H 1.215 -9.281 -5.978 1.00 . A A . 9 VAL HG23 1 1 13 4573 1 1 9 VAL N N -2.397 -7.706 -6.044 1.00 . A A . 9 VAL N 1 1 13 4574 1 1 9 VAL O O 0.590 -7.548 -4.088 1.00 . A A . 9 VAL O 1 1 13 4575 1 1 10 CYS C C -0.985 -5.052 -2.402 1.00 . A A . 10 CYS C 1 1 13 4576 1 1 10 CYS CA C -0.311 -4.948 -3.766 1.00 . A A . 10 CYS CA 1 1 13 4577 1 1 10 CYS CB C -0.487 -3.536 -4.328 1.00 . A A . 10 CYS CB 1 1 13 4578 1 1 10 CYS H H -1.608 -5.683 -5.268 1.00 . A A . 10 CYS H 1 1 13 4579 1 1 10 CYS HA H 0.743 -5.150 -3.650 1.00 . A A . 10 CYS HA 1 1 13 4580 1 1 10 CYS HB2 H -0.427 -3.576 -5.405 1.00 . A A . 10 CYS HB2 1 1 13 4581 1 1 10 CYS HB3 H -1.458 -3.161 -4.041 1.00 . A A . 10 CYS HB3 1 1 13 4582 1 1 10 CYS N N -0.856 -5.934 -4.693 1.00 . A A . 10 CYS N 1 1 13 4583 1 1 10 CYS O O -0.352 -5.416 -1.412 1.00 . A A . 10 CYS O 1 1 13 4584 1 1 10 CYS SG S 0.764 -2.344 -3.749 1.00 . A A . 10 CYS SG 1 1 13 4585 1 1 11 ALA C C -3.071 -6.200 -0.555 1.00 . A A . 11 ALA C 1 1 13 4586 1 1 11 ALA CA C -3.033 -4.782 -1.115 1.00 . A A . 11 ALA CA 1 1 13 4587 1 1 11 ALA CB C -4.445 -4.263 -1.336 1.00 . A A . 11 ALA CB 1 1 13 4588 1 1 11 ALA H H -2.723 -4.443 -3.180 1.00 . A A . 11 ALA H 1 1 13 4589 1 1 11 ALA HA H -2.547 -4.136 -0.397 1.00 . A A . 11 ALA HA 1 1 13 4590 1 1 11 ALA HB1 H -4.768 -3.713 -0.464 1.00 . A A . 11 ALA HB1 1 1 13 4591 1 1 11 ALA HB2 H -5.113 -5.095 -1.504 1.00 . A A . 11 ALA HB2 1 1 13 4592 1 1 11 ALA HB3 H -4.459 -3.612 -2.198 1.00 . A A . 11 ALA HB3 1 1 13 4593 1 1 11 ALA N N -2.273 -4.727 -2.358 1.00 . A A . 11 ALA N 1 1 13 4594 1 1 11 ALA O O -2.874 -6.411 0.641 1.00 . A A . 11 ALA O 1 1 13 4595 1 1 12 ALA C C -2.010 -9.224 -1.019 1.00 . A A . 12 ALA C 1 1 13 4596 1 1 12 ALA CA C -3.392 -8.571 -1.025 1.00 . A A . 12 ALA CA 1 1 13 4597 1 1 12 ALA CB C -4.333 -9.338 -1.941 1.00 . A A . 12 ALA CB 1 1 13 4598 1 1 12 ALA H H -3.475 -6.937 -2.369 1.00 . A A . 12 ALA H 1 1 13 4599 1 1 12 ALA HA H -3.798 -8.608 -0.024 1.00 . A A . 12 ALA HA 1 1 13 4600 1 1 12 ALA HB1 H -4.881 -10.067 -1.365 1.00 . A A . 12 ALA HB1 1 1 13 4601 1 1 12 ALA HB2 H -3.760 -9.839 -2.707 1.00 . A A . 12 ALA HB2 1 1 13 4602 1 1 12 ALA HB3 H -5.026 -8.649 -2.402 1.00 . A A . 12 ALA HB3 1 1 13 4603 1 1 12 ALA N N -3.326 -7.170 -1.429 1.00 . A A . 12 ALA N 1 1 13 4604 1 1 12 ALA O O -1.875 -10.404 -1.341 1.00 . A A . 12 ALA O 1 1 13 4605 1 1 13 ALA C C 0.809 -9.299 0.821 1.00 . A A . 13 ALA C 1 1 13 4606 1 1 13 ALA CA C 0.377 -8.976 -0.609 1.00 . A A . 13 ALA CA 1 1 13 4607 1 1 13 ALA CB C 1.338 -7.980 -1.239 1.00 . A A . 13 ALA CB 1 1 13 4608 1 1 13 ALA H H -1.148 -7.526 -0.404 1.00 . A A . 13 ALA H 1 1 13 4609 1 1 13 ALA HA H 0.403 -9.883 -1.193 1.00 . A A . 13 ALA HA 1 1 13 4610 1 1 13 ALA HB1 H 1.845 -7.428 -0.463 1.00 . A A . 13 ALA HB1 1 1 13 4611 1 1 13 ALA HB2 H 0.787 -7.295 -1.867 1.00 . A A . 13 ALA HB2 1 1 13 4612 1 1 13 ALA HB3 H 2.064 -8.511 -1.837 1.00 . A A . 13 ALA HB3 1 1 13 4613 1 1 13 ALA N N -0.987 -8.457 -0.652 1.00 . A A . 13 ALA N 1 1 13 4614 1 1 13 ALA O O 1.918 -9.784 1.045 1.00 . A A . 13 ALA O 1 1 13 4615 1 1 14 ALA C C 1.502 -8.584 3.626 1.00 . A A . 14 ALA C 1 1 13 4616 1 1 14 ALA CA C 0.228 -9.299 3.186 1.00 . A A . 14 ALA CA 1 1 13 4617 1 1 14 ALA CB C 0.353 -10.797 3.423 1.00 . A A . 14 ALA CB 1 1 13 4618 1 1 14 ALA H H -0.938 -8.648 1.546 1.00 . A A . 14 ALA H 1 1 13 4619 1 1 14 ALA HA H -0.599 -8.933 3.778 1.00 . A A . 14 ALA HA 1 1 13 4620 1 1 14 ALA HB1 H 1.046 -10.976 4.231 1.00 . A A . 14 ALA HB1 1 1 13 4621 1 1 14 ALA HB2 H 0.715 -11.273 2.525 1.00 . A A . 14 ALA HB2 1 1 13 4622 1 1 14 ALA HB3 H -0.614 -11.201 3.681 1.00 . A A . 14 ALA HB3 1 1 13 4623 1 1 14 ALA N N -0.070 -9.032 1.784 1.00 . A A . 14 ALA N 1 1 13 4624 1 1 14 ALA O O 2.221 -9.060 4.505 1.00 . A A . 14 ALA O 1 1 13 4625 1 1 15 ASN C C 2.655 -5.166 3.325 1.00 . A A . 15 ASN C 1 1 13 4626 1 1 15 ASN CA C 2.964 -6.660 3.339 1.00 . A A . 15 ASN CA 1 1 13 4627 1 1 15 ASN CB C 4.091 -6.968 2.352 1.00 . A A . 15 ASN CB 1 1 13 4628 1 1 15 ASN CG C 5.450 -7.021 3.025 1.00 . A A . 15 ASN CG 1 1 13 4629 1 1 15 ASN H H 1.164 -7.111 2.318 1.00 . A A . 15 ASN H 1 1 13 4630 1 1 15 ASN HA H 3.279 -6.940 4.332 1.00 . A A . 15 ASN HA 1 1 13 4631 1 1 15 ASN HB2 H 3.904 -7.926 1.889 1.00 . A A . 15 ASN HB2 1 1 13 4632 1 1 15 ASN HB3 H 4.116 -6.203 1.591 1.00 . A A . 15 ASN HB3 1 1 13 4633 1 1 15 ASN HD21 H 5.074 -5.312 3.971 1.00 . A A . 15 ASN HD21 1 1 13 4634 1 1 15 ASN HD22 H 6.613 -6.027 4.295 1.00 . A A . 15 ASN HD22 1 1 13 4635 1 1 15 ASN N N 1.776 -7.439 3.010 1.00 . A A . 15 ASN N 1 1 13 4636 1 1 15 ASN ND2 N 5.741 -6.019 3.846 1.00 . A A . 15 ASN ND2 1 1 13 4637 1 1 15 ASN O O 2.386 -4.587 2.273 1.00 . A A . 15 ASN O 1 1 13 4638 1 1 15 ASN OD1 O 6.226 -7.950 2.809 1.00 . A A . 15 ASN OD1 1 1 13 4639 1 1 16 VAL C C 3.583 -2.290 4.093 1.00 . A A . 16 VAL C 1 1 13 4640 1 1 16 VAL CA C 2.420 -3.122 4.624 1.00 . A A . 16 VAL CA 1 1 13 4641 1 1 16 VAL CB C 2.147 -2.726 6.086 1.00 . A A . 16 VAL CB 1 1 13 4642 1 1 16 VAL CG1 C 1.657 -1.287 6.167 1.00 . A A . 16 VAL CG1 1 1 13 4643 1 1 16 VAL CG2 C 1.139 -3.675 6.717 1.00 . A A . 16 VAL CG2 1 1 13 4644 1 1 16 VAL H H 2.916 -5.063 5.305 1.00 . A A . 16 VAL H 1 1 13 4645 1 1 16 VAL HA H 1.538 -2.901 4.040 1.00 . A A . 16 VAL HA 1 1 13 4646 1 1 16 VAL HB H 3.072 -2.798 6.637 1.00 . A A . 16 VAL HB 1 1 13 4647 1 1 16 VAL HG11 H 0.578 -1.272 6.139 1.00 . A A . 16 VAL HG11 1 1 13 4648 1 1 16 VAL HG12 H 2.049 -0.726 5.332 1.00 . A A . 16 VAL HG12 1 1 13 4649 1 1 16 VAL HG13 H 2.000 -0.843 7.091 1.00 . A A . 16 VAL HG13 1 1 13 4650 1 1 16 VAL HG21 H 0.547 -4.139 5.942 1.00 . A A . 16 VAL HG21 1 1 13 4651 1 1 16 VAL HG22 H 0.493 -3.125 7.384 1.00 . A A . 16 VAL HG22 1 1 13 4652 1 1 16 VAL HG23 H 1.664 -4.439 7.273 1.00 . A A . 16 VAL HG23 1 1 13 4653 1 1 16 VAL N N 2.696 -4.548 4.500 1.00 . A A . 16 VAL N 1 1 13 4654 1 1 16 VAL O O 3.391 -1.379 3.288 1.00 . A A . 16 VAL O 1 1 13 4655 1 1 17 ALA C C 6.176 -2.000 2.613 1.00 . A A . 17 ALA C 1 1 13 4656 1 1 17 ALA CA C 5.983 -1.892 4.121 1.00 . A A . 17 ALA CA 1 1 13 4657 1 1 17 ALA CB C 7.208 -2.420 4.852 1.00 . A A . 17 ALA CB 1 1 13 4658 1 1 17 ALA H H 4.879 -3.346 5.190 1.00 . A A . 17 ALA H 1 1 13 4659 1 1 17 ALA HA H 5.858 -0.850 4.383 1.00 . A A . 17 ALA HA 1 1 13 4660 1 1 17 ALA HB1 H 7.046 -3.452 5.127 1.00 . A A . 17 ALA HB1 1 1 13 4661 1 1 17 ALA HB2 H 7.378 -1.831 5.742 1.00 . A A . 17 ALA HB2 1 1 13 4662 1 1 17 ALA HB3 H 8.070 -2.351 4.205 1.00 . A A . 17 ALA HB3 1 1 13 4663 1 1 17 ALA N N 4.789 -2.610 4.551 1.00 . A A . 17 ALA N 1 1 13 4664 1 1 17 ALA O O 6.452 -1.008 1.939 1.00 . A A . 17 ALA O 1 1 13 4665 1 1 18 ALA C C 5.218 -2.587 -0.149 1.00 . A A . 18 ALA C 1 1 13 4666 1 1 18 ALA CA C 6.182 -3.451 0.658 1.00 . A A . 18 ALA CA 1 1 13 4667 1 1 18 ALA CB C 5.966 -4.923 0.341 1.00 . A A . 18 ALA CB 1 1 13 4668 1 1 18 ALA H H 5.804 -3.964 2.676 1.00 . A A . 18 ALA H 1 1 13 4669 1 1 18 ALA HA H 7.195 -3.192 0.385 1.00 . A A . 18 ALA HA 1 1 13 4670 1 1 18 ALA HB1 H 6.557 -5.196 -0.521 1.00 . A A . 18 ALA HB1 1 1 13 4671 1 1 18 ALA HB2 H 4.921 -5.096 0.131 1.00 . A A . 18 ALA HB2 1 1 13 4672 1 1 18 ALA HB3 H 6.267 -5.521 1.188 1.00 . A A . 18 ALA HB3 1 1 13 4673 1 1 18 ALA N N 6.025 -3.213 2.088 1.00 . A A . 18 ALA N 1 1 13 4674 1 1 18 ALA O O 5.556 -2.106 -1.230 1.00 . A A . 18 ALA O 1 1 13 4675 1 1 19 HIS C C 3.331 -0.097 -0.156 1.00 . A A . 19 HIS C 1 1 13 4676 1 1 19 HIS CA C 3.005 -1.585 -0.280 1.00 . A A . 19 HIS CA 1 1 13 4677 1 1 19 HIS CB C 1.617 -1.887 0.309 1.00 . A A . 19 HIS CB 1 1 13 4678 1 1 19 HIS CD2 C 0.251 0.110 1.220 1.00 . A A . 19 HIS CD2 1 1 13 4679 1 1 19 HIS CE1 C -0.694 0.674 -0.655 1.00 . A A . 19 HIS CE1 1 1 13 4680 1 1 19 HIS CG C 0.657 -0.735 0.239 1.00 . A A . 19 HIS CG 1 1 13 4681 1 1 19 HIS H H 3.809 -2.802 1.253 1.00 . A A . 19 HIS H 1 1 13 4682 1 1 19 HIS HA H 3.006 -1.854 -1.326 1.00 . A A . 19 HIS HA 1 1 13 4683 1 1 19 HIS HB2 H 1.178 -2.713 -0.230 1.00 . A A . 19 HIS HB2 1 1 13 4684 1 1 19 HIS HB3 H 1.729 -2.162 1.347 1.00 . A A . 19 HIS HB3 1 1 13 4685 1 1 19 HIS HD2 H 0.555 0.095 2.252 1.00 . A A . 19 HIS HD2 1 1 13 4686 1 1 19 HIS HE1 H -1.269 1.216 -1.389 1.00 . A A . 19 HIS HE1 1 1 13 4687 1 1 19 HIS HE2 H -0.927 1.840 1.044 1.00 . A A . 19 HIS HE2 1 1 13 4688 1 1 19 HIS N N 4.018 -2.393 0.387 1.00 . A A . 19 HIS N 1 1 13 4689 1 1 19 HIS ND1 N 0.052 -0.369 -0.938 1.00 . A A . 19 HIS ND1 1 1 13 4690 1 1 19 HIS NE2 N -0.612 1.004 0.640 1.00 . A A . 19 HIS NE2 1 1 13 4691 1 1 19 HIS O O 3.512 0.593 -1.158 1.00 . A A . 19 HIS O 1 1 13 4692 1 1 20 MET C C 4.885 2.288 0.526 1.00 . A A . 20 MET C 1 1 13 4693 1 1 20 MET CA C 3.690 1.798 1.343 1.00 . A A . 20 MET CA 1 1 13 4694 1 1 20 MET CB C 3.957 2.013 2.833 1.00 . A A . 20 MET CB 1 1 13 4695 1 1 20 MET CE C 4.265 5.494 5.117 1.00 . A A . 20 MET CE 1 1 13 4696 1 1 20 MET CG C 3.912 3.473 3.254 1.00 . A A . 20 MET CG 1 1 13 4697 1 1 20 MET H H 3.237 -0.212 1.838 1.00 . A A . 20 MET H 1 1 13 4698 1 1 20 MET HA H 2.820 2.372 1.058 1.00 . A A . 20 MET HA 1 1 13 4699 1 1 20 MET HB2 H 3.214 1.474 3.402 1.00 . A A . 20 MET HB2 1 1 13 4700 1 1 20 MET HB3 H 4.935 1.621 3.073 1.00 . A A . 20 MET HB3 1 1 13 4701 1 1 20 MET HE1 H 3.377 5.770 5.666 1.00 . A A . 20 MET HE1 1 1 13 4702 1 1 20 MET HE2 H 4.226 5.926 4.128 1.00 . A A . 20 MET HE2 1 1 13 4703 1 1 20 MET HE3 H 5.138 5.861 5.637 1.00 . A A . 20 MET HE3 1 1 13 4704 1 1 20 MET HG2 H 4.604 4.032 2.641 1.00 . A A . 20 MET HG2 1 1 13 4705 1 1 20 MET HG3 H 2.912 3.848 3.098 1.00 . A A . 20 MET HG3 1 1 13 4706 1 1 20 MET N N 3.397 0.389 1.080 1.00 . A A . 20 MET N 1 1 13 4707 1 1 20 MET O O 4.844 3.372 -0.056 1.00 . A A . 20 MET O 1 1 13 4708 1 1 20 MET SD S 4.356 3.710 4.986 1.00 . A A . 20 MET SD 1 1 13 4709 1 1 21 THR C C 6.819 2.119 -1.730 1.00 . A A . 21 THR C 1 1 13 4710 1 1 21 THR CA C 7.146 1.850 -0.262 1.00 . A A . 21 THR CA 1 1 13 4711 1 1 21 THR CB C 8.195 0.742 -0.154 1.00 . A A . 21 THR CB 1 1 13 4712 1 1 21 THR CG2 C 7.769 -0.554 -0.809 1.00 . A A . 21 THR CG2 1 1 13 4713 1 1 21 THR H H 5.922 0.635 0.970 1.00 . A A . 21 THR H 1 1 13 4714 1 1 21 THR HA H 7.545 2.753 0.174 1.00 . A A . 21 THR HA 1 1 13 4715 1 1 21 THR HB H 8.382 0.539 0.892 1.00 . A A . 21 THR HB 1 1 13 4716 1 1 21 THR HG1 H 10.150 0.794 -0.247 1.00 . A A . 21 THR HG1 1 1 13 4717 1 1 21 THR HG21 H 8.600 -0.968 -1.361 1.00 . A A . 21 THR HG21 1 1 13 4718 1 1 21 THR HG22 H 6.948 -0.364 -1.483 1.00 . A A . 21 THR HG22 1 1 13 4719 1 1 21 THR HG23 H 7.456 -1.256 -0.050 1.00 . A A . 21 THR HG23 1 1 13 4720 1 1 21 THR N N 5.946 1.488 0.487 1.00 . A A . 21 THR N 1 1 13 4721 1 1 21 THR O O 7.536 2.850 -2.413 1.00 . A A . 21 THR O 1 1 13 4722 1 1 21 THR OG1 O 9.414 1.145 -0.753 1.00 . A A . 21 THR OG1 1 1 13 4723 1 1 22 HIS C C 3.941 2.374 -3.664 1.00 . A A . 22 HIS C 1 1 13 4724 1 1 22 HIS CA C 5.305 1.686 -3.590 1.00 . A A . 22 HIS CA 1 1 13 4725 1 1 22 HIS CB C 5.270 0.312 -4.287 1.00 . A A . 22 HIS CB 1 1 13 4726 1 1 22 HIS CD2 C 2.707 -0.075 -4.593 1.00 . A A . 22 HIS CD2 1 1 13 4727 1 1 22 HIS CE1 C 2.713 -0.498 -6.746 1.00 . A A . 22 HIS CE1 1 1 13 4728 1 1 22 HIS CG C 3.995 0.003 -5.024 1.00 . A A . 22 HIS CG 1 1 13 4729 1 1 22 HIS H H 5.206 0.951 -1.620 1.00 . A A . 22 HIS H 1 1 13 4730 1 1 22 HIS HA H 6.031 2.308 -4.078 1.00 . A A . 22 HIS HA 1 1 13 4731 1 1 22 HIS HB2 H 6.077 0.263 -5.001 1.00 . A A . 22 HIS HB2 1 1 13 4732 1 1 22 HIS HB3 H 5.416 -0.458 -3.542 1.00 . A A . 22 HIS HB3 1 1 13 4733 1 1 22 HIS HD1 H 4.735 -0.289 -6.975 1.00 . A A . 22 HIS HD1 1 1 13 4734 1 1 22 HIS HD2 H 2.351 0.087 -3.580 1.00 . A A . 22 HIS HD2 1 1 13 4735 1 1 22 HIS HE1 H 2.386 -0.738 -7.747 1.00 . A A . 22 HIS HE1 1 1 13 4736 1 1 22 HIS HE2 H 0.957 -0.447 -5.694 1.00 . A A . 22 HIS HE2 1 1 13 4737 1 1 22 HIS N N 5.733 1.519 -2.208 1.00 . A A . 22 HIS N 1 1 13 4738 1 1 22 HIS ND1 N 3.960 -0.269 -6.375 1.00 . A A . 22 HIS ND1 1 1 13 4739 1 1 22 HIS NE2 N 1.936 -0.387 -5.686 1.00 . A A . 22 HIS NE2 1 1 13 4740 1 1 22 HIS O O 3.367 2.528 -4.742 1.00 . A A . 22 HIS O 1 1 13 4741 1 1 23 CYS C C 2.092 4.487 -1.375 1.00 . A A . 23 CYS C 1 1 13 4742 1 1 23 CYS CA C 2.116 3.401 -2.447 1.00 . A A . 23 CYS CA 1 1 13 4743 1 1 23 CYS CB C 1.075 2.334 -2.125 1.00 . A A . 23 CYS CB 1 1 13 4744 1 1 23 CYS H H 3.904 2.607 -1.685 1.00 . A A . 23 CYS H 1 1 13 4745 1 1 23 CYS HA H 1.896 3.837 -3.408 1.00 . A A . 23 CYS HA 1 1 13 4746 1 1 23 CYS HB2 H 1.562 1.523 -1.604 1.00 . A A . 23 CYS HB2 1 1 13 4747 1 1 23 CYS HB3 H 0.326 2.758 -1.478 1.00 . A A . 23 CYS HB3 1 1 13 4748 1 1 23 CYS N N 3.417 2.767 -2.513 1.00 . A A . 23 CYS N 1 1 13 4749 1 1 23 CYS O O 1.063 4.732 -0.747 1.00 . A A . 23 CYS O 1 1 13 4750 1 1 23 CYS SG S 0.233 1.615 -3.577 1.00 . A A . 23 CYS SG 1 1 13 4751 1 1 24 ALA C C 2.345 7.312 -0.445 1.00 . A A . 24 ALA C 1 1 13 4752 1 1 24 ALA CA C 3.347 6.195 -0.176 1.00 . A A . 24 ALA CA 1 1 13 4753 1 1 24 ALA CB C 4.764 6.749 -0.152 1.00 . A A . 24 ALA CB 1 1 13 4754 1 1 24 ALA H H 4.022 4.895 -1.703 1.00 . A A . 24 ALA H 1 1 13 4755 1 1 24 ALA HA H 3.139 5.764 0.793 1.00 . A A . 24 ALA HA 1 1 13 4756 1 1 24 ALA HB1 H 5.454 5.960 0.106 1.00 . A A . 24 ALA HB1 1 1 13 4757 1 1 24 ALA HB2 H 4.829 7.538 0.581 1.00 . A A . 24 ALA HB2 1 1 13 4758 1 1 24 ALA HB3 H 5.014 7.141 -1.127 1.00 . A A . 24 ALA HB3 1 1 13 4759 1 1 24 ALA N N 3.235 5.136 -1.171 1.00 . A A . 24 ALA N 1 1 13 4760 1 1 24 ALA O O 2.062 7.640 -1.597 1.00 . A A . 24 ALA O 1 1 13 4761 1 1 25 LYS C C 1.474 10.207 -0.130 1.00 . A A . 25 LYS C 1 1 13 4762 1 1 25 LYS CA C 0.840 8.973 0.505 1.00 . A A . 25 LYS CA 1 1 13 4763 1 1 25 LYS CB C 0.268 9.328 1.878 1.00 . A A . 25 LYS CB 1 1 13 4764 1 1 25 LYS CD C -1.405 11.201 1.787 1.00 . A A . 25 LYS CD 1 1 13 4765 1 1 25 LYS CE C -2.572 11.644 2.655 1.00 . A A . 25 LYS CE 1 1 13 4766 1 1 25 LYS CG C -1.206 9.695 1.847 1.00 . A A . 25 LYS CG 1 1 13 4767 1 1 25 LYS H H 2.077 7.586 1.517 1.00 . A A . 25 LYS H 1 1 13 4768 1 1 25 LYS HA H 0.038 8.628 -0.130 1.00 . A A . 25 LYS HA 1 1 13 4769 1 1 25 LYS HB2 H 0.393 8.481 2.537 1.00 . A A . 25 LYS HB2 1 1 13 4770 1 1 25 LYS HB3 H 0.818 10.168 2.278 1.00 . A A . 25 LYS HB3 1 1 13 4771 1 1 25 LYS HD2 H -0.506 11.687 2.135 1.00 . A A . 25 LYS HD2 1 1 13 4772 1 1 25 LYS HD3 H -1.600 11.487 0.764 1.00 . A A . 25 LYS HD3 1 1 13 4773 1 1 25 LYS HE2 H -2.290 11.546 3.693 1.00 . A A . 25 LYS HE2 1 1 13 4774 1 1 25 LYS HE3 H -2.792 12.679 2.439 1.00 . A A . 25 LYS HE3 1 1 13 4775 1 1 25 LYS HG2 H -1.661 9.247 0.976 1.00 . A A . 25 LYS HG2 1 1 13 4776 1 1 25 LYS HG3 H -1.681 9.313 2.740 1.00 . A A . 25 LYS HG3 1 1 13 4777 1 1 25 LYS HZ1 H -4.579 11.172 2.991 1.00 . A A . 25 LYS HZ1 1 1 13 4778 1 1 25 LYS HZ2 H -3.609 9.830 2.643 1.00 . A A . 25 LYS HZ2 1 1 13 4779 1 1 25 LYS HZ3 H -4.064 10.889 1.404 1.00 . A A . 25 LYS HZ3 1 1 13 4780 1 1 25 LYS N N 1.811 7.892 0.625 1.00 . A A . 25 LYS N 1 1 13 4781 1 1 25 LYS NZ N -3.791 10.827 2.406 1.00 . A A . 25 LYS NZ 1 1 13 4782 1 1 25 LYS O O 2.717 10.321 -0.084 1.00 . A A . 25 LYS O 1 1 13 4783 1 1 25 LYS OXT O 0.723 11.046 -0.668 1.00 . A A . 25 LYS OXT 1 1 13 4784 2 2 1 ZN ZN ZN -0.344 -0.522 -2.881 1.00 . B A . 26 ZN ZN 1 1 14 4785 1 1 1 ARG C C -2.620 -0.332 6.887 1.00 . A A . 1 ARG C 1 1 14 4786 1 1 1 ARG CA C -2.765 -0.383 8.404 1.00 . A A . 1 ARG CA 1 1 14 4787 1 1 1 ARG CB C -4.019 0.377 8.840 1.00 . A A . 1 ARG CB 1 1 14 4788 1 1 1 ARG CD C -5.648 -1.057 10.106 1.00 . A A . 1 ARG CD 1 1 14 4789 1 1 1 ARG CG C -5.291 -0.451 8.759 1.00 . A A . 1 ARG CG 1 1 14 4790 1 1 1 ARG CZ C -4.684 -2.681 11.689 1.00 . A A . 1 ARG CZ 1 1 14 4791 1 1 1 ARG H1 H -1.503 1.205 8.747 1.00 . A A . 1 ARG H1 1 1 14 4792 1 1 1 ARG H2 H -0.750 -0.337 8.813 1.00 . A A . 1 ARG H2 1 1 14 4793 1 1 1 ARG H3 H -1.754 0.187 10.103 1.00 . A A . 1 ARG H3 1 1 14 4794 1 1 1 ARG HA H -2.847 -1.414 8.717 1.00 . A A . 1 ARG HA 1 1 14 4795 1 1 1 ARG HB2 H -3.891 0.703 9.862 1.00 . A A . 1 ARG HB2 1 1 14 4796 1 1 1 ARG HB3 H -4.139 1.244 8.207 1.00 . A A . 1 ARG HB3 1 1 14 4797 1 1 1 ARG HD2 H -5.588 -0.287 10.860 1.00 . A A . 1 ARG HD2 1 1 14 4798 1 1 1 ARG HD3 H -6.659 -1.437 10.060 1.00 . A A . 1 ARG HD3 1 1 14 4799 1 1 1 ARG HE H -4.159 -2.502 9.772 1.00 . A A . 1 ARG HE 1 1 14 4800 1 1 1 ARG HG2 H -6.102 0.184 8.435 1.00 . A A . 1 ARG HG2 1 1 14 4801 1 1 1 ARG HG3 H -5.146 -1.247 8.043 1.00 . A A . 1 ARG HG3 1 1 14 4802 1 1 1 ARG HH11 H -6.108 -1.482 12.481 1.00 . A A . 1 ARG HH11 1 1 14 4803 1 1 1 ARG HH12 H -5.415 -2.632 13.575 1.00 . A A . 1 ARG HH12 1 1 14 4804 1 1 1 ARG HH21 H -3.246 -4.017 11.208 1.00 . A A . 1 ARG HH21 1 1 14 4805 1 1 1 ARG HH22 H -3.789 -4.071 12.852 1.00 . A A . 1 ARG HH22 1 1 14 4806 1 1 1 ARG N N -1.587 0.222 9.077 1.00 . A A . 1 ARG N 1 1 14 4807 1 1 1 ARG NE N -4.748 -2.148 10.471 1.00 . A A . 1 ARG NE 1 1 14 4808 1 1 1 ARG NH1 N -5.467 -2.228 12.661 1.00 . A A . 1 ARG NH1 1 1 14 4809 1 1 1 ARG NH2 N -3.837 -3.670 11.937 1.00 . A A . 1 ARG NH2 1 1 14 4810 1 1 1 ARG O O -2.765 0.725 6.274 1.00 . A A . 1 ARG O 1 1 14 4811 1 1 2 VAL C C -3.497 -1.871 4.154 1.00 . A A . 2 VAL C 1 1 14 4812 1 1 2 VAL CA C -2.166 -1.568 4.840 1.00 . A A . 2 VAL CA 1 1 14 4813 1 1 2 VAL CB C -1.136 -2.650 4.457 1.00 . A A . 2 VAL CB 1 1 14 4814 1 1 2 VAL CG1 C -1.590 -4.021 4.939 1.00 . A A . 2 VAL CG1 1 1 14 4815 1 1 2 VAL CG2 C -0.894 -2.655 2.954 1.00 . A A . 2 VAL CG2 1 1 14 4816 1 1 2 VAL H H -2.228 -2.292 6.829 1.00 . A A . 2 VAL H 1 1 14 4817 1 1 2 VAL HA H -1.802 -0.614 4.490 1.00 . A A . 2 VAL HA 1 1 14 4818 1 1 2 VAL HB H -0.202 -2.415 4.948 1.00 . A A . 2 VAL HB 1 1 14 4819 1 1 2 VAL HG11 H -1.066 -4.274 5.849 1.00 . A A . 2 VAL HG11 1 1 14 4820 1 1 2 VAL HG12 H -1.372 -4.760 4.182 1.00 . A A . 2 VAL HG12 1 1 14 4821 1 1 2 VAL HG13 H -2.653 -4.002 5.129 1.00 . A A . 2 VAL HG13 1 1 14 4822 1 1 2 VAL HG21 H -1.680 -2.101 2.461 1.00 . A A . 2 VAL HG21 1 1 14 4823 1 1 2 VAL HG22 H -0.889 -3.672 2.592 1.00 . A A . 2 VAL HG22 1 1 14 4824 1 1 2 VAL HG23 H 0.058 -2.193 2.741 1.00 . A A . 2 VAL HG23 1 1 14 4825 1 1 2 VAL N N -2.332 -1.483 6.286 1.00 . A A . 2 VAL N 1 1 14 4826 1 1 2 VAL O O -3.604 -2.812 3.366 1.00 . A A . 2 VAL O 1 1 14 4827 1 1 3 ILE C C -6.247 -0.012 3.074 1.00 . A A . 3 ILE C 1 1 14 4828 1 1 3 ILE CA C -5.832 -1.245 3.873 1.00 . A A . 3 ILE CA 1 1 14 4829 1 1 3 ILE CB C -6.892 -1.534 4.957 1.00 . A A . 3 ILE CB 1 1 14 4830 1 1 3 ILE CD1 C -8.977 -2.990 5.044 1.00 . A A . 3 ILE CD1 1 1 14 4831 1 1 3 ILE CG1 C -8.231 -1.897 4.312 1.00 . A A . 3 ILE CG1 1 1 14 4832 1 1 3 ILE CG2 C -7.050 -0.338 5.886 1.00 . A A . 3 ILE CG2 1 1 14 4833 1 1 3 ILE H H -4.363 -0.334 5.094 1.00 . A A . 3 ILE H 1 1 14 4834 1 1 3 ILE HA H -5.789 -2.094 3.208 1.00 . A A . 3 ILE HA 1 1 14 4835 1 1 3 ILE HB H -6.548 -2.370 5.547 1.00 . A A . 3 ILE HB 1 1 14 4836 1 1 3 ILE HD11 H -9.267 -2.636 6.023 1.00 . A A . 3 ILE HD11 1 1 14 4837 1 1 3 ILE HD12 H -8.339 -3.856 5.149 1.00 . A A . 3 ILE HD12 1 1 14 4838 1 1 3 ILE HD13 H -9.861 -3.261 4.485 1.00 . A A . 3 ILE HD13 1 1 14 4839 1 1 3 ILE HG12 H -8.862 -1.022 4.292 1.00 . A A . 3 ILE HG12 1 1 14 4840 1 1 3 ILE HG13 H -8.056 -2.234 3.300 1.00 . A A . 3 ILE HG13 1 1 14 4841 1 1 3 ILE HG21 H -6.134 0.234 5.895 1.00 . A A . 3 ILE HG21 1 1 14 4842 1 1 3 ILE HG22 H -7.266 -0.685 6.885 1.00 . A A . 3 ILE HG22 1 1 14 4843 1 1 3 ILE HG23 H -7.860 0.284 5.536 1.00 . A A . 3 ILE HG23 1 1 14 4844 1 1 3 ILE N N -4.509 -1.066 4.460 1.00 . A A . 3 ILE N 1 1 14 4845 1 1 3 ILE O O -7.422 0.355 3.041 1.00 . A A . 3 ILE O 1 1 14 4846 1 1 4 ALA C C -5.065 1.625 0.193 1.00 . A A . 4 ALA C 1 1 14 4847 1 1 4 ALA CA C -5.535 1.814 1.631 1.00 . A A . 4 ALA CA 1 1 14 4848 1 1 4 ALA CB C -4.858 3.026 2.255 1.00 . A A . 4 ALA CB 1 1 14 4849 1 1 4 ALA H H -4.357 0.283 2.495 1.00 . A A . 4 ALA H 1 1 14 4850 1 1 4 ALA HA H -6.601 1.987 1.631 1.00 . A A . 4 ALA HA 1 1 14 4851 1 1 4 ALA HB1 H -3.967 2.712 2.778 1.00 . A A . 4 ALA HB1 1 1 14 4852 1 1 4 ALA HB2 H -5.536 3.498 2.950 1.00 . A A . 4 ALA HB2 1 1 14 4853 1 1 4 ALA HB3 H -4.591 3.728 1.479 1.00 . A A . 4 ALA HB3 1 1 14 4854 1 1 4 ALA N N -5.274 0.623 2.431 1.00 . A A . 4 ALA N 1 1 14 4855 1 1 4 ALA O O -4.680 2.584 -0.476 1.00 . A A . 4 ALA O 1 1 14 4856 1 1 5 CYS C C -5.813 -0.574 -2.425 1.00 . A A . 5 CYS C 1 1 14 4857 1 1 5 CYS CA C -4.676 0.068 -1.637 1.00 . A A . 5 CYS CA 1 1 14 4858 1 1 5 CYS CB C -3.464 -0.867 -1.615 1.00 . A A . 5 CYS CB 1 1 14 4859 1 1 5 CYS H H -5.415 -0.340 0.303 1.00 . A A . 5 CYS H 1 1 14 4860 1 1 5 CYS HA H -4.397 0.992 -2.120 1.00 . A A . 5 CYS HA 1 1 14 4861 1 1 5 CYS HB2 H -2.781 -0.540 -0.846 1.00 . A A . 5 CYS HB2 1 1 14 4862 1 1 5 CYS HB3 H -3.797 -1.869 -1.390 1.00 . A A . 5 CYS HB3 1 1 14 4863 1 1 5 CYS N N -5.098 0.382 -0.276 1.00 . A A . 5 CYS N 1 1 14 4864 1 1 5 CYS O O -6.749 -1.125 -1.846 1.00 . A A . 5 CYS O 1 1 14 4865 1 1 5 CYS SG S -2.545 -0.926 -3.186 1.00 . A A . 5 CYS SG 1 1 14 4866 1 1 6 PHE C C -6.133 -2.058 -5.605 1.00 . A A . 6 PHE C 1 1 14 4867 1 1 6 PHE CA C -6.748 -1.072 -4.617 1.00 . A A . 6 PHE CA 1 1 14 4868 1 1 6 PHE CB C -7.483 0.035 -5.374 1.00 . A A . 6 PHE CB 1 1 14 4869 1 1 6 PHE CD1 C -5.872 1.959 -5.356 1.00 . A A . 6 PHE CD1 1 1 14 4870 1 1 6 PHE CD2 C -6.394 0.937 -7.447 1.00 . A A . 6 PHE CD2 1 1 14 4871 1 1 6 PHE CE1 C -5.026 2.845 -5.996 1.00 . A A . 6 PHE CE1 1 1 14 4872 1 1 6 PHE CE2 C -5.549 1.820 -8.092 1.00 . A A . 6 PHE CE2 1 1 14 4873 1 1 6 PHE CG C -6.564 0.996 -6.073 1.00 . A A . 6 PHE CG 1 1 14 4874 1 1 6 PHE CZ C -4.865 2.776 -7.367 1.00 . A A . 6 PHE CZ 1 1 14 4875 1 1 6 PHE H H -4.955 -0.047 -4.152 1.00 . A A . 6 PHE H 1 1 14 4876 1 1 6 PHE HA H -7.454 -1.600 -3.993 1.00 . A A . 6 PHE HA 1 1 14 4877 1 1 6 PHE HB2 H -8.124 -0.412 -6.119 1.00 . A A . 6 PHE HB2 1 1 14 4878 1 1 6 PHE HB3 H -8.087 0.598 -4.678 1.00 . A A . 6 PHE HB3 1 1 14 4879 1 1 6 PHE HD1 H -5.998 2.014 -4.285 1.00 . A A . 6 PHE HD1 1 1 14 4880 1 1 6 PHE HD2 H -6.929 0.191 -8.015 1.00 . A A . 6 PHE HD2 1 1 14 4881 1 1 6 PHE HE1 H -4.492 3.590 -5.426 1.00 . A A . 6 PHE HE1 1 1 14 4882 1 1 6 PHE HE2 H -5.424 1.763 -9.163 1.00 . A A . 6 PHE HE2 1 1 14 4883 1 1 6 PHE HZ H -4.204 3.466 -7.869 1.00 . A A . 6 PHE HZ 1 1 14 4884 1 1 6 PHE N N -5.725 -0.499 -3.749 1.00 . A A . 6 PHE N 1 1 14 4885 1 1 6 PHE O O -6.578 -2.166 -6.748 1.00 . A A . 6 PHE O 1 1 14 4886 1 1 7 LEU C C -4.362 -5.112 -5.315 1.00 . A A . 7 LEU C 1 1 14 4887 1 1 7 LEU CA C -4.432 -3.753 -6.003 1.00 . A A . 7 LEU CA 1 1 14 4888 1 1 7 LEU CB C -3.022 -3.271 -6.349 1.00 . A A . 7 LEU CB 1 1 14 4889 1 1 7 LEU CD1 C -1.575 -1.635 -7.581 1.00 . A A . 7 LEU CD1 1 1 14 4890 1 1 7 LEU CD2 C -3.222 -3.037 -8.836 1.00 . A A . 7 LEU CD2 1 1 14 4891 1 1 7 LEU CG C -2.939 -2.305 -7.533 1.00 . A A . 7 LEU CG 1 1 14 4892 1 1 7 LEU H H -4.799 -2.645 -4.237 1.00 . A A . 7 LEU H 1 1 14 4893 1 1 7 LEU HA H -5.001 -3.853 -6.915 1.00 . A A . 7 LEU HA 1 1 14 4894 1 1 7 LEU HB2 H -2.610 -2.778 -5.480 1.00 . A A . 7 LEU HB2 1 1 14 4895 1 1 7 LEU HB3 H -2.414 -4.133 -6.575 1.00 . A A . 7 LEU HB3 1 1 14 4896 1 1 7 LEU HD11 H -1.159 -1.595 -6.585 1.00 . A A . 7 LEU HD11 1 1 14 4897 1 1 7 LEU HD12 H -1.679 -0.632 -7.968 1.00 . A A . 7 LEU HD12 1 1 14 4898 1 1 7 LEU HD13 H -0.917 -2.203 -8.222 1.00 . A A . 7 LEU HD13 1 1 14 4899 1 1 7 LEU HD21 H -2.804 -2.479 -9.660 1.00 . A A . 7 LEU HD21 1 1 14 4900 1 1 7 LEU HD22 H -4.290 -3.134 -8.971 1.00 . A A . 7 LEU HD22 1 1 14 4901 1 1 7 LEU HD23 H -2.773 -4.019 -8.803 1.00 . A A . 7 LEU HD23 1 1 14 4902 1 1 7 LEU HG H -3.686 -1.534 -7.413 1.00 . A A . 7 LEU HG 1 1 14 4903 1 1 7 LEU N N -5.108 -2.775 -5.158 1.00 . A A . 7 LEU N 1 1 14 4904 1 1 7 LEU O O -4.246 -5.195 -4.092 1.00 . A A . 7 LEU O 1 1 14 4905 1 1 8 LYS C C -2.964 -7.879 -5.120 1.00 . A A . 8 LYS C 1 1 14 4906 1 1 8 LYS CA C -4.377 -7.532 -5.574 1.00 . A A . 8 LYS CA 1 1 14 4907 1 1 8 LYS CB C -4.848 -8.536 -6.628 1.00 . A A . 8 LYS CB 1 1 14 4908 1 1 8 LYS CD C -6.772 -8.855 -8.213 1.00 . A A . 8 LYS CD 1 1 14 4909 1 1 8 LYS CE C -7.055 -7.555 -8.947 1.00 . A A . 8 LYS CE 1 1 14 4910 1 1 8 LYS CG C -6.361 -8.604 -6.772 1.00 . A A . 8 LYS CG 1 1 14 4911 1 1 8 LYS H H -4.525 -6.046 -7.075 1.00 . A A . 8 LYS H 1 1 14 4912 1 1 8 LYS HA H -5.039 -7.580 -4.723 1.00 . A A . 8 LYS HA 1 1 14 4913 1 1 8 LYS HB2 H -4.430 -8.260 -7.585 1.00 . A A . 8 LYS HB2 1 1 14 4914 1 1 8 LYS HB3 H -4.491 -9.519 -6.358 1.00 . A A . 8 LYS HB3 1 1 14 4915 1 1 8 LYS HD2 H -5.975 -9.377 -8.720 1.00 . A A . 8 LYS HD2 1 1 14 4916 1 1 8 LYS HD3 H -7.665 -9.464 -8.221 1.00 . A A . 8 LYS HD3 1 1 14 4917 1 1 8 LYS HE2 H -7.743 -6.966 -8.359 1.00 . A A . 8 LYS HE2 1 1 14 4918 1 1 8 LYS HE3 H -6.127 -7.013 -9.063 1.00 . A A . 8 LYS HE3 1 1 14 4919 1 1 8 LYS HG2 H -6.735 -9.407 -6.155 1.00 . A A . 8 LYS HG2 1 1 14 4920 1 1 8 LYS HG3 H -6.785 -7.666 -6.444 1.00 . A A . 8 LYS HG3 1 1 14 4921 1 1 8 LYS HZ1 H -8.118 -8.721 -10.316 1.00 . A A . 8 LYS HZ1 1 1 14 4922 1 1 8 LYS HZ2 H -6.905 -7.774 -11.019 1.00 . A A . 8 LYS HZ2 1 1 14 4923 1 1 8 LYS HZ3 H -8.349 -7.056 -10.509 1.00 . A A . 8 LYS HZ3 1 1 14 4924 1 1 8 LYS N N -4.433 -6.176 -6.108 1.00 . A A . 8 LYS N 1 1 14 4925 1 1 8 LYS NZ N -7.648 -7.793 -10.291 1.00 . A A . 8 LYS NZ 1 1 14 4926 1 1 8 LYS O O -2.734 -8.184 -3.950 1.00 . A A . 8 LYS O 1 1 14 4927 1 1 9 VAL C C -0.064 -7.181 -4.702 1.00 . A A . 9 VAL C 1 1 14 4928 1 1 9 VAL CA C -0.628 -8.141 -5.748 1.00 . A A . 9 VAL CA 1 1 14 4929 1 1 9 VAL CB C 0.251 -8.082 -7.014 1.00 . A A . 9 VAL CB 1 1 14 4930 1 1 9 VAL CG1 C 0.240 -6.684 -7.613 1.00 . A A . 9 VAL CG1 1 1 14 4931 1 1 9 VAL CG2 C 1.672 -8.525 -6.701 1.00 . A A . 9 VAL CG2 1 1 14 4932 1 1 9 VAL H H -2.263 -7.582 -6.969 1.00 . A A . 9 VAL H 1 1 14 4933 1 1 9 VAL HA H -0.589 -9.146 -5.355 1.00 . A A . 9 VAL HA 1 1 14 4934 1 1 9 VAL HB H -0.162 -8.764 -7.743 1.00 . A A . 9 VAL HB 1 1 14 4935 1 1 9 VAL HG11 H -0.701 -6.203 -7.387 1.00 . A A . 9 VAL HG11 1 1 14 4936 1 1 9 VAL HG12 H 0.362 -6.750 -8.684 1.00 . A A . 9 VAL HG12 1 1 14 4937 1 1 9 VAL HG13 H 1.050 -6.106 -7.193 1.00 . A A . 9 VAL HG13 1 1 14 4938 1 1 9 VAL HG21 H 2.298 -7.657 -6.561 1.00 . A A . 9 VAL HG21 1 1 14 4939 1 1 9 VAL HG22 H 2.054 -9.115 -7.522 1.00 . A A . 9 VAL HG22 1 1 14 4940 1 1 9 VAL HG23 H 1.674 -9.120 -5.799 1.00 . A A . 9 VAL HG23 1 1 14 4941 1 1 9 VAL N N -2.019 -7.832 -6.054 1.00 . A A . 9 VAL N 1 1 14 4942 1 1 9 VAL O O 0.898 -7.504 -4.006 1.00 . A A . 9 VAL O 1 1 14 4943 1 1 10 CYS C C -1.008 -5.104 -2.331 1.00 . A A . 10 CYS C 1 1 14 4944 1 1 10 CYS CA C -0.223 -4.998 -3.635 1.00 . A A . 10 CYS CA 1 1 14 4945 1 1 10 CYS CB C -0.379 -3.596 -4.225 1.00 . A A . 10 CYS CB 1 1 14 4946 1 1 10 CYS H H -1.430 -5.799 -5.179 1.00 . A A . 10 CYS H 1 1 14 4947 1 1 10 CYS HA H 0.821 -5.178 -3.429 1.00 . A A . 10 CYS HA 1 1 14 4948 1 1 10 CYS HB2 H -0.277 -3.650 -5.299 1.00 . A A . 10 CYS HB2 1 1 14 4949 1 1 10 CYS HB3 H -1.361 -3.217 -3.980 1.00 . A A . 10 CYS HB3 1 1 14 4950 1 1 10 CYS N N -0.668 -6.001 -4.596 1.00 . A A . 10 CYS N 1 1 14 4951 1 1 10 CYS O O -0.446 -5.420 -1.282 1.00 . A A . 10 CYS O 1 1 14 4952 1 1 10 CYS SG S 0.847 -2.392 -3.616 1.00 . A A . 10 CYS SG 1 1 14 4953 1 1 11 ALA C C -3.356 -6.334 -0.757 1.00 . A A . 11 ALA C 1 1 14 4954 1 1 11 ALA CA C -3.167 -4.897 -1.228 1.00 . A A . 11 ALA CA 1 1 14 4955 1 1 11 ALA CB C -4.514 -4.257 -1.528 1.00 . A A . 11 ALA CB 1 1 14 4956 1 1 11 ALA H H -2.695 -4.586 -3.268 1.00 . A A . 11 ALA H 1 1 14 4957 1 1 11 ALA HA H -2.694 -4.330 -0.440 1.00 . A A . 11 ALA HA 1 1 14 4958 1 1 11 ALA HB1 H -4.413 -3.579 -2.362 1.00 . A A . 11 ALA HB1 1 1 14 4959 1 1 11 ALA HB2 H -4.855 -3.711 -0.660 1.00 . A A . 11 ALA HB2 1 1 14 4960 1 1 11 ALA HB3 H -5.231 -5.025 -1.774 1.00 . A A . 11 ALA HB3 1 1 14 4961 1 1 11 ALA N N -2.307 -4.834 -2.403 1.00 . A A . 11 ALA N 1 1 14 4962 1 1 11 ALA O O -3.281 -6.620 0.438 1.00 . A A . 11 ALA O 1 1 14 4963 1 1 12 ALA C C -2.485 -9.405 -1.299 1.00 . A A . 12 ALA C 1 1 14 4964 1 1 12 ALA CA C -3.809 -8.646 -1.384 1.00 . A A . 12 ALA CA 1 1 14 4965 1 1 12 ALA CB C -4.718 -9.290 -2.419 1.00 . A A . 12 ALA CB 1 1 14 4966 1 1 12 ALA H H -3.654 -6.945 -2.637 1.00 . A A . 12 ALA H 1 1 14 4967 1 1 12 ALA HA H -4.303 -8.701 -0.425 1.00 . A A . 12 ALA HA 1 1 14 4968 1 1 12 ALA HB1 H -5.366 -10.005 -1.933 1.00 . A A . 12 ALA HB1 1 1 14 4969 1 1 12 ALA HB2 H -4.118 -9.795 -3.162 1.00 . A A . 12 ALA HB2 1 1 14 4970 1 1 12 ALA HB3 H -5.317 -8.529 -2.896 1.00 . A A . 12 ALA HB3 1 1 14 4971 1 1 12 ALA N N -3.605 -7.235 -1.702 1.00 . A A . 12 ALA N 1 1 14 4972 1 1 12 ALA O O -2.408 -10.575 -1.675 1.00 . A A . 12 ALA O 1 1 14 4973 1 1 13 ALA C C 0.305 -9.455 0.788 1.00 . A A . 13 ALA C 1 1 14 4974 1 1 13 ALA CA C -0.132 -9.366 -0.673 1.00 . A A . 13 ALA CA 1 1 14 4975 1 1 13 ALA CB C 0.899 -8.598 -1.487 1.00 . A A . 13 ALA CB 1 1 14 4976 1 1 13 ALA H H -1.558 -7.814 -0.517 1.00 . A A . 13 ALA H 1 1 14 4977 1 1 13 ALA HA H -0.200 -10.366 -1.077 1.00 . A A . 13 ALA HA 1 1 14 4978 1 1 13 ALA HB1 H 0.545 -7.592 -1.659 1.00 . A A . 13 ALA HB1 1 1 14 4979 1 1 13 ALA HB2 H 1.048 -9.093 -2.435 1.00 . A A . 13 ALA HB2 1 1 14 4980 1 1 13 ALA HB3 H 1.834 -8.565 -0.948 1.00 . A A . 13 ALA HB3 1 1 14 4981 1 1 13 ALA N N -1.444 -8.741 -0.802 1.00 . A A . 13 ALA N 1 1 14 4982 1 1 13 ALA O O 1.387 -9.961 1.089 1.00 . A A . 13 ALA O 1 1 14 4983 1 1 14 ALA C C 1.086 -8.281 3.416 1.00 . A A . 14 ALA C 1 1 14 4984 1 1 14 ALA CA C -0.229 -8.995 3.120 1.00 . A A . 14 ALA CA 1 1 14 4985 1 1 14 ALA CB C -0.173 -10.432 3.616 1.00 . A A . 14 ALA CB 1 1 14 4986 1 1 14 ALA H H -1.385 -8.575 1.400 1.00 . A A . 14 ALA H 1 1 14 4987 1 1 14 ALA HA H -1.027 -8.490 3.644 1.00 . A A . 14 ALA HA 1 1 14 4988 1 1 14 ALA HB1 H -0.244 -10.445 4.694 1.00 . A A . 14 ALA HB1 1 1 14 4989 1 1 14 ALA HB2 H 0.761 -10.882 3.313 1.00 . A A . 14 ALA HB2 1 1 14 4990 1 1 14 ALA HB3 H -0.996 -10.991 3.195 1.00 . A A . 14 ALA HB3 1 1 14 4991 1 1 14 ALA N N -0.537 -8.965 1.696 1.00 . A A . 14 ALA N 1 1 14 4992 1 1 14 ALA O O 1.790 -8.623 4.366 1.00 . A A . 14 ALA O 1 1 14 4993 1 1 15 ASN C C 2.334 -5.054 3.052 1.00 . A A . 15 ASN C 1 1 14 4994 1 1 15 ASN CA C 2.641 -6.522 2.770 1.00 . A A . 15 ASN CA 1 1 14 4995 1 1 15 ASN CB C 3.521 -6.644 1.525 1.00 . A A . 15 ASN CB 1 1 14 4996 1 1 15 ASN CG C 4.622 -7.672 1.693 1.00 . A A . 15 ASN CG 1 1 14 4997 1 1 15 ASN H H 0.809 -7.059 1.858 1.00 . A A . 15 ASN H 1 1 14 4998 1 1 15 ASN HA H 3.171 -6.935 3.617 1.00 . A A . 15 ASN HA 1 1 14 4999 1 1 15 ASN HB2 H 2.907 -6.934 0.686 1.00 . A A . 15 ASN HB2 1 1 14 5000 1 1 15 ASN HB3 H 3.977 -5.685 1.318 1.00 . A A . 15 ASN HB3 1 1 14 5001 1 1 15 ASN HD21 H 5.650 -6.421 2.848 1.00 . A A . 15 ASN HD21 1 1 14 5002 1 1 15 ASN HD22 H 6.381 -7.962 2.573 1.00 . A A . 15 ASN HD22 1 1 14 5003 1 1 15 ASN N N 1.411 -7.286 2.597 1.00 . A A . 15 ASN N 1 1 14 5004 1 1 15 ASN ND2 N 5.655 -7.316 2.448 1.00 . A A . 15 ASN ND2 1 1 14 5005 1 1 15 ASN O O 1.741 -4.364 2.224 1.00 . A A . 15 ASN O 1 1 14 5006 1 1 15 ASN OD1 O 4.544 -8.775 1.152 1.00 . A A . 15 ASN OD1 1 1 14 5007 1 1 16 VAL C C 3.620 -2.291 4.109 1.00 . A A . 16 VAL C 1 1 14 5008 1 1 16 VAL CA C 2.507 -3.200 4.618 1.00 . A A . 16 VAL CA 1 1 14 5009 1 1 16 VAL CB C 2.400 -3.057 6.149 1.00 . A A . 16 VAL CB 1 1 14 5010 1 1 16 VAL CG1 C 2.002 -1.637 6.528 1.00 . A A . 16 VAL CG1 1 1 14 5011 1 1 16 VAL CG2 C 1.411 -4.065 6.714 1.00 . A A . 16 VAL CG2 1 1 14 5012 1 1 16 VAL H H 3.207 -5.184 4.847 1.00 . A A . 16 VAL H 1 1 14 5013 1 1 16 VAL HA H 1.570 -2.884 4.182 1.00 . A A . 16 VAL HA 1 1 14 5014 1 1 16 VAL HB H 3.372 -3.259 6.576 1.00 . A A . 16 VAL HB 1 1 14 5015 1 1 16 VAL HG11 H 0.946 -1.608 6.751 1.00 . A A . 16 VAL HG11 1 1 14 5016 1 1 16 VAL HG12 H 2.216 -0.972 5.705 1.00 . A A . 16 VAL HG12 1 1 14 5017 1 1 16 VAL HG13 H 2.563 -1.327 7.398 1.00 . A A . 16 VAL HG13 1 1 14 5018 1 1 16 VAL HG21 H 0.475 -3.569 6.928 1.00 . A A . 16 VAL HG21 1 1 14 5019 1 1 16 VAL HG22 H 1.810 -4.489 7.623 1.00 . A A . 16 VAL HG22 1 1 14 5020 1 1 16 VAL HG23 H 1.244 -4.850 5.993 1.00 . A A . 16 VAL HG23 1 1 14 5021 1 1 16 VAL N N 2.740 -4.585 4.227 1.00 . A A . 16 VAL N 1 1 14 5022 1 1 16 VAL O O 3.382 -1.394 3.299 1.00 . A A . 16 VAL O 1 1 14 5023 1 1 17 ALA C C 6.207 -1.811 2.676 1.00 . A A . 17 ALA C 1 1 14 5024 1 1 17 ALA CA C 5.987 -1.729 4.183 1.00 . A A . 17 ALA CA 1 1 14 5025 1 1 17 ALA CB C 7.234 -2.183 4.926 1.00 . A A . 17 ALA CB 1 1 14 5026 1 1 17 ALA H H 4.963 -3.255 5.232 1.00 . A A . 17 ALA H 1 1 14 5027 1 1 17 ALA HA H 5.790 -0.701 4.452 1.00 . A A . 17 ALA HA 1 1 14 5028 1 1 17 ALA HB1 H 7.228 -3.260 5.014 1.00 . A A . 17 ALA HB1 1 1 14 5029 1 1 17 ALA HB2 H 7.247 -1.741 5.911 1.00 . A A . 17 ALA HB2 1 1 14 5030 1 1 17 ALA HB3 H 8.112 -1.871 4.380 1.00 . A A . 17 ALA HB3 1 1 14 5031 1 1 17 ALA N N 4.837 -2.527 4.589 1.00 . A A . 17 ALA N 1 1 14 5032 1 1 17 ALA O O 6.464 -0.801 2.020 1.00 . A A . 17 ALA O 1 1 14 5033 1 1 18 ALA C C 5.297 -2.405 -0.108 1.00 . A A . 18 ALA C 1 1 14 5034 1 1 18 ALA CA C 6.290 -3.232 0.702 1.00 . A A . 18 ALA CA 1 1 14 5035 1 1 18 ALA CB C 6.148 -4.709 0.366 1.00 . A A . 18 ALA CB 1 1 14 5036 1 1 18 ALA H H 5.895 -3.786 2.707 1.00 . A A . 18 ALA H 1 1 14 5037 1 1 18 ALA HA H 7.294 -2.923 0.448 1.00 . A A . 18 ALA HA 1 1 14 5038 1 1 18 ALA HB1 H 6.257 -5.295 1.267 1.00 . A A . 18 ALA HB1 1 1 14 5039 1 1 18 ALA HB2 H 6.914 -4.992 -0.342 1.00 . A A . 18 ALA HB2 1 1 14 5040 1 1 18 ALA HB3 H 5.175 -4.890 -0.066 1.00 . A A . 18 ALA HB3 1 1 14 5041 1 1 18 ALA N N 6.103 -3.019 2.132 1.00 . A A . 18 ALA N 1 1 14 5042 1 1 18 ALA O O 5.606 -1.950 -1.210 1.00 . A A . 18 ALA O 1 1 14 5043 1 1 19 HIS C C 3.372 0.058 -0.151 1.00 . A A . 19 HIS C 1 1 14 5044 1 1 19 HIS CA C 3.067 -1.439 -0.223 1.00 . A A . 19 HIS CA 1 1 14 5045 1 1 19 HIS CB C 1.695 -1.740 0.404 1.00 . A A . 19 HIS CB 1 1 14 5046 1 1 19 HIS CD2 C 0.286 0.261 1.236 1.00 . A A . 19 HIS CD2 1 1 14 5047 1 1 19 HIS CE1 C -0.673 0.727 -0.659 1.00 . A A . 19 HIS CE1 1 1 14 5048 1 1 19 HIS CG C 0.709 -0.614 0.291 1.00 . A A . 19 HIS CG 1 1 14 5049 1 1 19 HIS H H 3.920 -2.600 1.327 1.00 . A A . 19 HIS H 1 1 14 5050 1 1 19 HIS HA H 3.049 -1.738 -1.260 1.00 . A A . 19 HIS HA 1 1 14 5051 1 1 19 HIS HB2 H 1.268 -2.602 -0.084 1.00 . A A . 19 HIS HB2 1 1 14 5052 1 1 19 HIS HB3 H 1.830 -1.958 1.453 1.00 . A A . 19 HIS HB3 1 1 14 5053 1 1 19 HIS HD2 H 0.594 0.296 2.268 1.00 . A A . 19 HIS HD2 1 1 14 5054 1 1 19 HIS HE1 H -1.260 1.225 -1.412 1.00 . A A . 19 HIS HE1 1 1 14 5055 1 1 19 HIS HE2 H -1.205 1.731 1.077 1.00 . A A . 19 HIS HE2 1 1 14 5056 1 1 19 HIS N N 4.105 -2.212 0.446 1.00 . A A . 19 HIS N 1 1 14 5057 1 1 19 HIS ND1 N 0.095 -0.311 -0.898 1.00 . A A . 19 HIS ND1 1 1 14 5058 1 1 19 HIS NE2 N -0.596 1.112 0.622 1.00 . A A . 19 HIS NE2 1 1 14 5059 1 1 19 HIS O O 3.557 0.713 -1.176 1.00 . A A . 19 HIS O 1 1 14 5060 1 1 20 MET C C 4.869 2.494 0.443 1.00 . A A . 20 MET C 1 1 14 5061 1 1 20 MET CA C 3.687 2.012 1.282 1.00 . A A . 20 MET CA 1 1 14 5062 1 1 20 MET CB C 3.959 2.280 2.763 1.00 . A A . 20 MET CB 1 1 14 5063 1 1 20 MET CE C 3.260 2.447 6.297 1.00 . A A . 20 MET CE 1 1 14 5064 1 1 20 MET CG C 2.697 2.496 3.584 1.00 . A A . 20 MET CG 1 1 14 5065 1 1 20 MET H H 3.254 0.016 1.845 1.00 . A A . 20 MET H 1 1 14 5066 1 1 20 MET HA H 2.806 2.562 0.984 1.00 . A A . 20 MET HA 1 1 14 5067 1 1 20 MET HB2 H 4.492 1.437 3.177 1.00 . A A . 20 MET HB2 1 1 14 5068 1 1 20 MET HB3 H 4.574 3.163 2.850 1.00 . A A . 20 MET HB3 1 1 14 5069 1 1 20 MET HE1 H 2.612 1.592 6.178 1.00 . A A . 20 MET HE1 1 1 14 5070 1 1 20 MET HE2 H 3.061 2.920 7.247 1.00 . A A . 20 MET HE2 1 1 14 5071 1 1 20 MET HE3 H 4.291 2.125 6.264 1.00 . A A . 20 MET HE3 1 1 14 5072 1 1 20 MET HG2 H 1.935 2.913 2.943 1.00 . A A . 20 MET HG2 1 1 14 5073 1 1 20 MET HG3 H 2.364 1.542 3.965 1.00 . A A . 20 MET HG3 1 1 14 5074 1 1 20 MET N N 3.416 0.591 1.068 1.00 . A A . 20 MET N 1 1 14 5075 1 1 20 MET O O 4.807 3.557 -0.177 1.00 . A A . 20 MET O 1 1 14 5076 1 1 20 MET SD S 2.957 3.615 4.974 1.00 . A A . 20 MET SD 1 1 14 5077 1 1 21 THR C C 6.799 2.278 -1.815 1.00 . A A . 21 THR C 1 1 14 5078 1 1 21 THR CA C 7.135 2.070 -0.340 1.00 . A A . 21 THR CA 1 1 14 5079 1 1 21 THR CB C 8.204 0.985 -0.196 1.00 . A A . 21 THR CB 1 1 14 5080 1 1 21 THR CG2 C 7.788 -0.347 -0.782 1.00 . A A . 21 THR CG2 1 1 14 5081 1 1 21 THR H H 5.937 0.879 0.939 1.00 . A A . 21 THR H 1 1 14 5082 1 1 21 THR HA H 7.520 2.996 0.061 1.00 . A A . 21 THR HA 1 1 14 5083 1 1 21 THR HB H 8.409 0.834 0.854 1.00 . A A . 21 THR HB 1 1 14 5084 1 1 21 THR HG1 H 9.852 2.037 -0.295 1.00 . A A . 21 THR HG1 1 1 14 5085 1 1 21 THR HG21 H 7.007 -0.192 -1.512 1.00 . A A . 21 THR HG21 1 1 14 5086 1 1 21 THR HG22 H 7.423 -0.989 0.006 1.00 . A A . 21 THR HG22 1 1 14 5087 1 1 21 THR HG23 H 8.638 -0.811 -1.260 1.00 . A A . 21 THR HG23 1 1 14 5088 1 1 21 THR N N 5.944 1.713 0.426 1.00 . A A . 21 THR N 1 1 14 5089 1 1 21 THR O O 7.492 3.009 -2.524 1.00 . A A . 21 THR O 1 1 14 5090 1 1 21 THR OG1 O 9.406 1.378 -0.833 1.00 . A A . 21 THR OG1 1 1 14 5091 1 1 22 HIS C C 3.921 2.391 -3.754 1.00 . A A . 22 HIS C 1 1 14 5092 1 1 22 HIS CA C 5.300 1.735 -3.657 1.00 . A A . 22 HIS CA 1 1 14 5093 1 1 22 HIS CB C 5.292 0.334 -4.301 1.00 . A A . 22 HIS CB 1 1 14 5094 1 1 22 HIS CD2 C 2.735 -0.119 -4.571 1.00 . A A . 22 HIS CD2 1 1 14 5095 1 1 22 HIS CE1 C 2.736 -0.639 -6.702 1.00 . A A . 22 HIS CE1 1 1 14 5096 1 1 22 HIS CG C 4.018 -0.034 -5.013 1.00 . A A . 22 HIS CG 1 1 14 5097 1 1 22 HIS H H 5.224 1.063 -1.663 1.00 . A A . 22 HIS H 1 1 14 5098 1 1 22 HIS HA H 6.012 2.351 -4.170 1.00 . A A . 22 HIS HA 1 1 14 5099 1 1 22 HIS HB2 H 6.094 0.278 -5.021 1.00 . A A . 22 HIS HB2 1 1 14 5100 1 1 22 HIS HB3 H 5.463 -0.402 -3.529 1.00 . A A . 22 HIS HB3 1 1 14 5101 1 1 22 HIS HD1 H 4.753 -0.399 -6.955 1.00 . A A . 22 HIS HD1 1 1 14 5102 1 1 22 HIS HD2 H 2.381 0.081 -3.563 1.00 . A A . 22 HIS HD2 1 1 14 5103 1 1 22 HIS HE1 H 2.407 -0.928 -7.689 1.00 . A A . 22 HIS HE1 1 1 14 5104 1 1 22 HIS HE2 H 0.987 -0.573 -5.641 1.00 . A A . 22 HIS HE2 1 1 14 5105 1 1 22 HIS N N 5.733 1.628 -2.271 1.00 . A A . 22 HIS N 1 1 14 5106 1 1 22 HIS ND1 N 3.980 -0.367 -6.351 1.00 . A A . 22 HIS ND1 1 1 14 5107 1 1 22 HIS NE2 N 1.964 -0.496 -5.642 1.00 . A A . 22 HIS NE2 1 1 14 5108 1 1 22 HIS O O 3.339 2.484 -4.835 1.00 . A A . 22 HIS O 1 1 14 5109 1 1 23 CYS C C 2.037 4.568 -1.555 1.00 . A A . 23 CYS C 1 1 14 5110 1 1 23 CYS CA C 2.081 3.434 -2.575 1.00 . A A . 23 CYS CA 1 1 14 5111 1 1 23 CYS CB C 1.064 2.360 -2.201 1.00 . A A . 23 CYS CB 1 1 14 5112 1 1 23 CYS H H 3.887 2.712 -1.786 1.00 . A A . 23 CYS H 1 1 14 5113 1 1 23 CYS HA H 1.849 3.821 -3.556 1.00 . A A . 23 CYS HA 1 1 14 5114 1 1 23 CYS HB2 H 1.572 1.583 -1.650 1.00 . A A . 23 CYS HB2 1 1 14 5115 1 1 23 CYS HB3 H 0.310 2.796 -1.569 1.00 . A A . 23 CYS HB3 1 1 14 5116 1 1 23 CYS N N 3.394 2.825 -2.619 1.00 . A A . 23 CYS N 1 1 14 5117 1 1 23 CYS O O 0.998 4.832 -0.948 1.00 . A A . 23 CYS O 1 1 14 5118 1 1 23 CYS SG S 0.231 1.562 -3.616 1.00 . A A . 23 CYS SG 1 1 14 5119 1 1 24 ALA C C 2.488 7.557 -0.927 1.00 . A A . 24 ALA C 1 1 14 5120 1 1 24 ALA CA C 3.262 6.342 -0.426 1.00 . A A . 24 ALA CA 1 1 14 5121 1 1 24 ALA CB C 4.719 6.706 -0.180 1.00 . A A . 24 ALA CB 1 1 14 5122 1 1 24 ALA H H 3.965 4.980 -1.886 1.00 . A A . 24 ALA H 1 1 14 5123 1 1 24 ALA HA H 2.834 6.016 0.510 1.00 . A A . 24 ALA HA 1 1 14 5124 1 1 24 ALA HB1 H 5.243 5.846 0.207 1.00 . A A . 24 ALA HB1 1 1 14 5125 1 1 24 ALA HB2 H 4.771 7.512 0.537 1.00 . A A . 24 ALA HB2 1 1 14 5126 1 1 24 ALA HB3 H 5.174 7.019 -1.108 1.00 . A A . 24 ALA HB3 1 1 14 5127 1 1 24 ALA N N 3.171 5.236 -1.372 1.00 . A A . 24 ALA N 1 1 14 5128 1 1 24 ALA O O 1.920 7.538 -2.018 1.00 . A A . 24 ALA O 1 1 14 5129 1 1 25 LYS C C 2.744 10.908 -0.958 1.00 . A A . 25 LYS C 1 1 14 5130 1 1 25 LYS CA C 1.766 9.839 -0.481 1.00 . A A . 25 LYS CA 1 1 14 5131 1 1 25 LYS CB C 0.964 10.361 0.713 1.00 . A A . 25 LYS CB 1 1 14 5132 1 1 25 LYS CD C -0.965 9.867 2.244 1.00 . A A . 25 LYS CD 1 1 14 5133 1 1 25 LYS CE C -1.511 8.866 3.249 1.00 . A A . 25 LYS CE 1 1 14 5134 1 1 25 LYS CG C 0.182 9.279 1.440 1.00 . A A . 25 LYS CG 1 1 14 5135 1 1 25 LYS H H 2.943 8.568 0.738 1.00 . A A . 25 LYS H 1 1 14 5136 1 1 25 LYS HA H 1.086 9.605 -1.286 1.00 . A A . 25 LYS HA 1 1 14 5137 1 1 25 LYS HB2 H 1.643 10.818 1.416 1.00 . A A . 25 LYS HB2 1 1 14 5138 1 1 25 LYS HB3 H 0.265 11.107 0.363 1.00 . A A . 25 LYS HB3 1 1 14 5139 1 1 25 LYS HD2 H -0.611 10.738 2.775 1.00 . A A . 25 LYS HD2 1 1 14 5140 1 1 25 LYS HD3 H -1.757 10.154 1.568 1.00 . A A . 25 LYS HD3 1 1 14 5141 1 1 25 LYS HE2 H -2.086 8.120 2.720 1.00 . A A . 25 LYS HE2 1 1 14 5142 1 1 25 LYS HE3 H -0.681 8.390 3.751 1.00 . A A . 25 LYS HE3 1 1 14 5143 1 1 25 LYS HG2 H -0.218 8.588 0.713 1.00 . A A . 25 LYS HG2 1 1 14 5144 1 1 25 LYS HG3 H 0.849 8.755 2.109 1.00 . A A . 25 LYS HG3 1 1 14 5145 1 1 25 LYS HZ1 H -3.167 8.883 4.522 1.00 . A A . 25 LYS HZ1 1 1 14 5146 1 1 25 LYS HZ2 H -2.778 10.400 3.884 1.00 . A A . 25 LYS HZ2 1 1 14 5147 1 1 25 LYS HZ3 H -1.834 9.737 5.120 1.00 . A A . 25 LYS HZ3 1 1 14 5148 1 1 25 LYS N N 2.471 8.614 -0.120 1.00 . A A . 25 LYS N 1 1 14 5149 1 1 25 LYS NZ N -2.383 9.516 4.265 1.00 . A A . 25 LYS NZ 1 1 14 5150 1 1 25 LYS O O 2.281 11.926 -1.513 1.00 . A A . 25 LYS O 1 1 14 5151 1 1 25 LYS OXT O 3.965 10.718 -0.772 1.00 . A A . 25 LYS OXT 1 1 14 5152 2 2 1 ZN ZN ZN -0.299 -0.556 -2.831 1.00 . B A . 26 ZN ZN 1 1 15 5153 1 1 1 ARG C C -2.758 -0.830 6.292 1.00 . A A . 1 ARG C 1 1 15 5154 1 1 1 ARG CA C -2.664 -0.738 7.812 1.00 . A A . 1 ARG CA 1 1 15 5155 1 1 1 ARG CB C -4.061 -0.793 8.431 1.00 . A A . 1 ARG CB 1 1 15 5156 1 1 1 ARG CD C -4.381 -2.937 9.700 1.00 . A A . 1 ARG CD 1 1 15 5157 1 1 1 ARG CG C -4.679 -2.181 8.416 1.00 . A A . 1 ARG CG 1 1 15 5158 1 1 1 ARG CZ C -6.362 -2.574 11.122 1.00 . A A . 1 ARG CZ 1 1 15 5159 1 1 1 ARG H1 H -1.122 0.620 7.698 1.00 . A A . 1 ARG H1 1 1 15 5160 1 1 1 ARG H2 H -1.825 0.463 9.256 1.00 . A A . 1 ARG H2 1 1 15 5161 1 1 1 ARG H3 H -2.659 1.310 8.017 1.00 . A A . 1 ARG H3 1 1 15 5162 1 1 1 ARG HA H -2.078 -1.567 8.179 1.00 . A A . 1 ARG HA 1 1 15 5163 1 1 1 ARG HB2 H -4.001 -0.460 9.458 1.00 . A A . 1 ARG HB2 1 1 15 5164 1 1 1 ARG HB3 H -4.712 -0.126 7.884 1.00 . A A . 1 ARG HB3 1 1 15 5165 1 1 1 ARG HD2 H -4.696 -3.964 9.580 1.00 . A A . 1 ARG HD2 1 1 15 5166 1 1 1 ARG HD3 H -3.317 -2.907 9.882 1.00 . A A . 1 ARG HD3 1 1 15 5167 1 1 1 ARG HE H -4.558 -1.785 11.449 1.00 . A A . 1 ARG HE 1 1 15 5168 1 1 1 ARG HG2 H -5.749 -2.087 8.306 1.00 . A A . 1 ARG HG2 1 1 15 5169 1 1 1 ARG HG3 H -4.276 -2.735 7.581 1.00 . A A . 1 ARG HG3 1 1 15 5170 1 1 1 ARG HH11 H -6.685 -3.776 9.528 1.00 . A A . 1 ARG HH11 1 1 15 5171 1 1 1 ARG HH12 H -8.060 -3.506 10.543 1.00 . A A . 1 ARG HH12 1 1 15 5172 1 1 1 ARG HH21 H -6.367 -1.427 12.785 1.00 . A A . 1 ARG HH21 1 1 15 5173 1 1 1 ARG HH22 H -7.881 -2.171 12.392 1.00 . A A . 1 ARG HH22 1 1 15 5174 1 1 1 ARG N N -2.008 0.528 8.233 1.00 . A A . 1 ARG N 1 1 15 5175 1 1 1 ARG NE N -5.077 -2.361 10.849 1.00 . A A . 1 ARG NE 1 1 15 5176 1 1 1 ARG NH1 N -7.096 -3.349 10.332 1.00 . A A . 1 ARG NH1 1 1 15 5177 1 1 1 ARG NH2 N -6.916 -2.011 12.188 1.00 . A A . 1 ARG NH2 1 1 15 5178 1 1 1 ARG O O -3.222 0.099 5.631 1.00 . A A . 1 ARG O 1 1 15 5179 1 1 2 VAL C C -3.749 -2.568 3.841 1.00 . A A . 2 VAL C 1 1 15 5180 1 1 2 VAL CA C -2.349 -2.171 4.304 1.00 . A A . 2 VAL CA 1 1 15 5181 1 1 2 VAL CB C -1.340 -3.257 3.874 1.00 . A A . 2 VAL CB 1 1 15 5182 1 1 2 VAL CG1 C -1.674 -4.588 4.530 1.00 . A A . 2 VAL CG1 1 1 15 5183 1 1 2 VAL CG2 C -1.308 -3.393 2.357 1.00 . A A . 2 VAL CG2 1 1 15 5184 1 1 2 VAL H H -1.955 -2.661 6.324 1.00 . A A . 2 VAL H 1 1 15 5185 1 1 2 VAL HA H -2.072 -1.243 3.823 1.00 . A A . 2 VAL HA 1 1 15 5186 1 1 2 VAL HB H -0.358 -2.956 4.206 1.00 . A A . 2 VAL HB 1 1 15 5187 1 1 2 VAL HG11 H -0.761 -5.084 4.825 1.00 . A A . 2 VAL HG11 1 1 15 5188 1 1 2 VAL HG12 H -2.211 -5.211 3.830 1.00 . A A . 2 VAL HG12 1 1 15 5189 1 1 2 VAL HG13 H -2.288 -4.416 5.403 1.00 . A A . 2 VAL HG13 1 1 15 5190 1 1 2 VAL HG21 H -0.445 -2.874 1.969 1.00 . A A . 2 VAL HG21 1 1 15 5191 1 1 2 VAL HG22 H -2.205 -2.963 1.938 1.00 . A A . 2 VAL HG22 1 1 15 5192 1 1 2 VAL HG23 H -1.250 -4.438 2.091 1.00 . A A . 2 VAL HG23 1 1 15 5193 1 1 2 VAL N N -2.314 -1.957 5.744 1.00 . A A . 2 VAL N 1 1 15 5194 1 1 2 VAL O O -3.952 -3.656 3.301 1.00 . A A . 2 VAL O 1 1 15 5195 1 1 3 ILE C C -6.696 -0.713 2.966 1.00 . A A . 3 ILE C 1 1 15 5196 1 1 3 ILE CA C -6.090 -1.930 3.660 1.00 . A A . 3 ILE CA 1 1 15 5197 1 1 3 ILE CB C -6.960 -2.314 4.877 1.00 . A A . 3 ILE CB 1 1 15 5198 1 1 3 ILE CD1 C -8.936 -3.869 5.270 1.00 . A A . 3 ILE CD1 1 1 15 5199 1 1 3 ILE CG1 C -8.349 -2.763 4.421 1.00 . A A . 3 ILE CG1 1 1 15 5200 1 1 3 ILE CG2 C -7.065 -1.147 5.849 1.00 . A A . 3 ILE CG2 1 1 15 5201 1 1 3 ILE H H -4.486 -0.826 4.489 1.00 . A A . 3 ILE H 1 1 15 5202 1 1 3 ILE HA H -6.089 -2.761 2.970 1.00 . A A . 3 ILE HA 1 1 15 5203 1 1 3 ILE HB H -6.476 -3.132 5.390 1.00 . A A . 3 ILE HB 1 1 15 5204 1 1 3 ILE HD11 H -9.554 -3.440 6.044 1.00 . A A . 3 ILE HD11 1 1 15 5205 1 1 3 ILE HD12 H -8.136 -4.438 5.722 1.00 . A A . 3 ILE HD12 1 1 15 5206 1 1 3 ILE HD13 H -9.534 -4.520 4.651 1.00 . A A . 3 ILE HD13 1 1 15 5207 1 1 3 ILE HG12 H -9.024 -1.922 4.461 1.00 . A A . 3 ILE HG12 1 1 15 5208 1 1 3 ILE HG13 H -8.288 -3.121 3.403 1.00 . A A . 3 ILE HG13 1 1 15 5209 1 1 3 ILE HG21 H -7.500 -0.296 5.345 1.00 . A A . 3 ILE HG21 1 1 15 5210 1 1 3 ILE HG22 H -6.080 -0.887 6.208 1.00 . A A . 3 ILE HG22 1 1 15 5211 1 1 3 ILE HG23 H -7.689 -1.430 6.684 1.00 . A A . 3 ILE HG23 1 1 15 5212 1 1 3 ILE N N -4.710 -1.676 4.056 1.00 . A A . 3 ILE N 1 1 15 5213 1 1 3 ILE O O -7.912 -0.514 2.985 1.00 . A A . 3 ILE O 1 1 15 5214 1 1 4 ALA C C -6.057 1.180 0.152 1.00 . A A . 4 ALA C 1 1 15 5215 1 1 4 ALA CA C -6.293 1.298 1.654 1.00 . A A . 4 ALA CA 1 1 15 5216 1 1 4 ALA CB C -5.586 2.528 2.205 1.00 . A A . 4 ALA CB 1 1 15 5217 1 1 4 ALA H H -4.884 -0.108 2.373 1.00 . A A . 4 ALA H 1 1 15 5218 1 1 4 ALA HA H -7.351 1.411 1.835 1.00 . A A . 4 ALA HA 1 1 15 5219 1 1 4 ALA HB1 H -4.537 2.485 1.950 1.00 . A A . 4 ALA HB1 1 1 15 5220 1 1 4 ALA HB2 H -5.694 2.554 3.280 1.00 . A A . 4 ALA HB2 1 1 15 5221 1 1 4 ALA HB3 H -6.025 3.417 1.778 1.00 . A A . 4 ALA HB3 1 1 15 5222 1 1 4 ALA N N -5.842 0.101 2.354 1.00 . A A . 4 ALA N 1 1 15 5223 1 1 4 ALA O O -6.805 1.741 -0.648 1.00 . A A . 4 ALA O 1 1 15 5224 1 1 5 CYS C C -5.842 -0.381 -2.386 1.00 . A A . 5 CYS C 1 1 15 5225 1 1 5 CYS CA C -4.679 0.256 -1.630 1.00 . A A . 5 CYS CA 1 1 15 5226 1 1 5 CYS CB C -3.429 -0.615 -1.766 1.00 . A A . 5 CYS CB 1 1 15 5227 1 1 5 CYS H H -4.453 0.026 0.461 1.00 . A A . 5 CYS H 1 1 15 5228 1 1 5 CYS HA H -4.478 1.227 -2.057 1.00 . A A . 5 CYS HA 1 1 15 5229 1 1 5 CYS HB2 H -2.728 -0.350 -0.989 1.00 . A A . 5 CYS HB2 1 1 15 5230 1 1 5 CYS HB3 H -3.709 -1.652 -1.651 1.00 . A A . 5 CYS HB3 1 1 15 5231 1 1 5 CYS N N -5.013 0.447 -0.224 1.00 . A A . 5 CYS N 1 1 15 5232 1 1 5 CYS O O -6.750 -0.952 -1.781 1.00 . A A . 5 CYS O 1 1 15 5233 1 1 5 CYS SG S -2.574 -0.443 -3.366 1.00 . A A . 5 CYS SG 1 1 15 5234 1 1 6 PHE C C -6.272 -1.787 -5.594 1.00 . A A . 6 PHE C 1 1 15 5235 1 1 6 PHE CA C -6.858 -0.842 -4.549 1.00 . A A . 6 PHE CA 1 1 15 5236 1 1 6 PHE CB C -7.645 0.274 -5.237 1.00 . A A . 6 PHE CB 1 1 15 5237 1 1 6 PHE CD1 C -5.850 1.968 -5.691 1.00 . A A . 6 PHE CD1 1 1 15 5238 1 1 6 PHE CD2 C -7.004 1.014 -7.548 1.00 . A A . 6 PHE CD2 1 1 15 5239 1 1 6 PHE CE1 C -5.086 2.730 -6.554 1.00 . A A . 6 PHE CE1 1 1 15 5240 1 1 6 PHE CE2 C -6.243 1.773 -8.416 1.00 . A A . 6 PHE CE2 1 1 15 5241 1 1 6 PHE CG C -6.817 1.102 -6.177 1.00 . A A . 6 PHE CG 1 1 15 5242 1 1 6 PHE CZ C -5.282 2.633 -7.918 1.00 . A A . 6 PHE CZ 1 1 15 5243 1 1 6 PHE H H -5.058 0.191 -4.134 1.00 . A A . 6 PHE H 1 1 15 5244 1 1 6 PHE HA H -7.526 -1.402 -3.912 1.00 . A A . 6 PHE HA 1 1 15 5245 1 1 6 PHE HB2 H -8.454 -0.162 -5.804 1.00 . A A . 6 PHE HB2 1 1 15 5246 1 1 6 PHE HB3 H -8.055 0.933 -4.485 1.00 . A A . 6 PHE HB3 1 1 15 5247 1 1 6 PHE HD1 H -5.695 2.044 -4.625 1.00 . A A . 6 PHE HD1 1 1 15 5248 1 1 6 PHE HD2 H -7.754 0.342 -7.938 1.00 . A A . 6 PHE HD2 1 1 15 5249 1 1 6 PHE HE1 H -4.336 3.401 -6.163 1.00 . A A . 6 PHE HE1 1 1 15 5250 1 1 6 PHE HE2 H -6.397 1.695 -9.481 1.00 . A A . 6 PHE HE2 1 1 15 5251 1 1 6 PHE HZ H -4.686 3.227 -8.594 1.00 . A A . 6 PHE HZ 1 1 15 5252 1 1 6 PHE N N -5.807 -0.277 -3.710 1.00 . A A . 6 PHE N 1 1 15 5253 1 1 6 PHE O O -6.788 -1.894 -6.706 1.00 . A A . 6 PHE O 1 1 15 5254 1 1 7 LEU C C -4.577 -4.822 -5.579 1.00 . A A . 7 LEU C 1 1 15 5255 1 1 7 LEU CA C -4.533 -3.402 -6.136 1.00 . A A . 7 LEU CA 1 1 15 5256 1 1 7 LEU CB C -3.082 -2.979 -6.374 1.00 . A A . 7 LEU CB 1 1 15 5257 1 1 7 LEU CD1 C -1.542 -1.270 -7.369 1.00 . A A . 7 LEU CD1 1 1 15 5258 1 1 7 LEU CD2 C -2.960 -2.691 -8.861 1.00 . A A . 7 LEU CD2 1 1 15 5259 1 1 7 LEU CG C -2.877 -1.984 -7.516 1.00 . A A . 7 LEU CG 1 1 15 5260 1 1 7 LEU H H -4.826 -2.339 -4.329 1.00 . A A . 7 LEU H 1 1 15 5261 1 1 7 LEU HA H -5.064 -3.381 -7.076 1.00 . A A . 7 LEU HA 1 1 15 5262 1 1 7 LEU HB2 H -2.705 -2.536 -5.463 1.00 . A A . 7 LEU HB2 1 1 15 5263 1 1 7 LEU HB3 H -2.502 -3.865 -6.589 1.00 . A A . 7 LEU HB3 1 1 15 5264 1 1 7 LEU HD11 H -1.228 -1.303 -6.336 1.00 . A A . 7 LEU HD11 1 1 15 5265 1 1 7 LEU HD12 H -1.647 -0.242 -7.682 1.00 . A A . 7 LEU HD12 1 1 15 5266 1 1 7 LEU HD13 H -0.802 -1.761 -7.984 1.00 . A A . 7 LEU HD13 1 1 15 5267 1 1 7 LEU HD21 H -1.965 -2.932 -9.202 1.00 . A A . 7 LEU HD21 1 1 15 5268 1 1 7 LEU HD22 H -3.441 -2.044 -9.579 1.00 . A A . 7 LEU HD22 1 1 15 5269 1 1 7 LEU HD23 H -3.534 -3.599 -8.754 1.00 . A A . 7 LEU HD23 1 1 15 5270 1 1 7 LEU HG H -3.658 -1.239 -7.480 1.00 . A A . 7 LEU HG 1 1 15 5271 1 1 7 LEU N N -5.190 -2.468 -5.229 1.00 . A A . 7 LEU N 1 1 15 5272 1 1 7 LEU O O -4.691 -5.022 -4.370 1.00 . A A . 7 LEU O 1 1 15 5273 1 1 8 LYS C C -3.161 -7.640 -5.516 1.00 . A A . 8 LYS C 1 1 15 5274 1 1 8 LYS CA C -4.514 -7.206 -6.068 1.00 . A A . 8 LYS CA 1 1 15 5275 1 1 8 LYS CB C -4.903 -8.090 -7.254 1.00 . A A . 8 LYS CB 1 1 15 5276 1 1 8 LYS CD C -6.725 -8.551 -8.921 1.00 . A A . 8 LYS CD 1 1 15 5277 1 1 8 LYS CE C -8.129 -8.116 -9.309 1.00 . A A . 8 LYS CE 1 1 15 5278 1 1 8 LYS CG C -6.403 -8.174 -7.485 1.00 . A A . 8 LYS CG 1 1 15 5279 1 1 8 LYS H H -4.396 -5.581 -7.421 1.00 . A A . 8 LYS H 1 1 15 5280 1 1 8 LYS HA H -5.257 -7.312 -5.291 1.00 . A A . 8 LYS HA 1 1 15 5281 1 1 8 LYS HB2 H -4.444 -7.695 -8.148 1.00 . A A . 8 LYS HB2 1 1 15 5282 1 1 8 LYS HB3 H -4.531 -9.089 -7.080 1.00 . A A . 8 LYS HB3 1 1 15 5283 1 1 8 LYS HD2 H -6.015 -8.071 -9.578 1.00 . A A . 8 LYS HD2 1 1 15 5284 1 1 8 LYS HD3 H -6.648 -9.625 -9.027 1.00 . A A . 8 LYS HD3 1 1 15 5285 1 1 8 LYS HE2 H -8.798 -8.956 -9.194 1.00 . A A . 8 LYS HE2 1 1 15 5286 1 1 8 LYS HE3 H -8.439 -7.317 -8.653 1.00 . A A . 8 LYS HE3 1 1 15 5287 1 1 8 LYS HG2 H -6.817 -8.921 -6.824 1.00 . A A . 8 LYS HG2 1 1 15 5288 1 1 8 LYS HG3 H -6.845 -7.212 -7.266 1.00 . A A . 8 LYS HG3 1 1 15 5289 1 1 8 LYS HZ1 H -9.165 -7.715 -11.079 1.00 . A A . 8 LYS HZ1 1 1 15 5290 1 1 8 LYS HZ2 H -7.566 -8.213 -11.319 1.00 . A A . 8 LYS HZ2 1 1 15 5291 1 1 8 LYS HZ3 H -7.890 -6.645 -10.774 1.00 . A A . 8 LYS HZ3 1 1 15 5292 1 1 8 LYS N N -4.485 -5.804 -6.470 1.00 . A A . 8 LYS N 1 1 15 5293 1 1 8 LYS NZ N -8.192 -7.639 -10.719 1.00 . A A . 8 LYS NZ 1 1 15 5294 1 1 8 LYS O O -3.082 -8.273 -4.463 1.00 . A A . 8 LYS O 1 1 15 5295 1 1 9 VAL C C -0.079 -6.493 -5.077 1.00 . A A . 9 VAL C 1 1 15 5296 1 1 9 VAL CA C -0.746 -7.652 -5.816 1.00 . A A . 9 VAL CA 1 1 15 5297 1 1 9 VAL CB C 0.126 -8.061 -7.022 1.00 . A A . 9 VAL CB 1 1 15 5298 1 1 9 VAL CG1 C 0.301 -6.893 -7.981 1.00 . A A . 9 VAL CG1 1 1 15 5299 1 1 9 VAL CG2 C 1.475 -8.585 -6.554 1.00 . A A . 9 VAL CG2 1 1 15 5300 1 1 9 VAL H H -2.222 -6.793 -7.065 1.00 . A A . 9 VAL H 1 1 15 5301 1 1 9 VAL HA H -0.816 -8.497 -5.147 1.00 . A A . 9 VAL HA 1 1 15 5302 1 1 9 VAL HB H -0.380 -8.856 -7.550 1.00 . A A . 9 VAL HB 1 1 15 5303 1 1 9 VAL HG11 H 0.840 -6.099 -7.487 1.00 . A A . 9 VAL HG11 1 1 15 5304 1 1 9 VAL HG12 H -0.668 -6.533 -8.292 1.00 . A A . 9 VAL HG12 1 1 15 5305 1 1 9 VAL HG13 H 0.858 -7.219 -8.847 1.00 . A A . 9 VAL HG13 1 1 15 5306 1 1 9 VAL HG21 H 2.190 -7.776 -6.536 1.00 . A A . 9 VAL HG21 1 1 15 5307 1 1 9 VAL HG22 H 1.817 -9.353 -7.233 1.00 . A A . 9 VAL HG22 1 1 15 5308 1 1 9 VAL HG23 H 1.376 -9.001 -5.562 1.00 . A A . 9 VAL HG23 1 1 15 5309 1 1 9 VAL N N -2.096 -7.297 -6.234 1.00 . A A . 9 VAL N 1 1 15 5310 1 1 9 VAL O O 1.108 -6.222 -5.264 1.00 . A A . 9 VAL O 1 1 15 5311 1 1 10 CYS C C -0.990 -4.621 -2.094 1.00 . A A . 10 CYS C 1 1 15 5312 1 1 10 CYS CA C -0.339 -4.684 -3.471 1.00 . A A . 10 CYS CA 1 1 15 5313 1 1 10 CYS CB C -0.584 -3.375 -4.225 1.00 . A A . 10 CYS CB 1 1 15 5314 1 1 10 CYS H H -1.789 -6.075 -4.132 1.00 . A A . 10 CYS H 1 1 15 5315 1 1 10 CYS HA H 0.725 -4.823 -3.347 1.00 . A A . 10 CYS HA 1 1 15 5316 1 1 10 CYS HB2 H -0.625 -3.581 -5.283 1.00 . A A . 10 CYS HB2 1 1 15 5317 1 1 10 CYS HB3 H -1.527 -2.957 -3.906 1.00 . A A . 10 CYS HB3 1 1 15 5318 1 1 10 CYS N N -0.852 -5.813 -4.238 1.00 . A A . 10 CYS N 1 1 15 5319 1 1 10 CYS O O -0.307 -4.643 -1.070 1.00 . A A . 10 CYS O 1 1 15 5320 1 1 10 CYS SG S 0.702 -2.111 -3.958 1.00 . A A . 10 CYS SG 1 1 15 5321 1 1 11 ALA C C -3.108 -5.838 -0.141 1.00 . A A . 11 ALA C 1 1 15 5322 1 1 11 ALA CA C -3.062 -4.476 -0.826 1.00 . A A . 11 ALA CA 1 1 15 5323 1 1 11 ALA CB C -4.471 -3.962 -1.077 1.00 . A A . 11 ALA CB 1 1 15 5324 1 1 11 ALA H H -2.806 -4.528 -2.926 1.00 . A A . 11 ALA H 1 1 15 5325 1 1 11 ALA HA H -2.560 -3.775 -0.175 1.00 . A A . 11 ALA HA 1 1 15 5326 1 1 11 ALA HB1 H -4.503 -3.446 -2.026 1.00 . A A . 11 ALA HB1 1 1 15 5327 1 1 11 ALA HB2 H -4.753 -3.280 -0.289 1.00 . A A . 11 ALA HB2 1 1 15 5328 1 1 11 ALA HB3 H -5.160 -4.794 -1.098 1.00 . A A . 11 ALA HB3 1 1 15 5329 1 1 11 ALA N N -2.317 -4.542 -2.076 1.00 . A A . 11 ALA N 1 1 15 5330 1 1 11 ALA O O -2.821 -5.956 1.050 1.00 . A A . 11 ALA O 1 1 15 5331 1 1 12 ALA C C -2.207 -8.936 -0.420 1.00 . A A . 12 ALA C 1 1 15 5332 1 1 12 ALA CA C -3.558 -8.223 -0.374 1.00 . A A . 12 ALA CA 1 1 15 5333 1 1 12 ALA CB C -4.600 -9.020 -1.143 1.00 . A A . 12 ALA CB 1 1 15 5334 1 1 12 ALA H H -3.690 -6.706 -1.845 1.00 . A A . 12 ALA H 1 1 15 5335 1 1 12 ALA HA H -3.882 -8.157 0.655 1.00 . A A . 12 ALA HA 1 1 15 5336 1 1 12 ALA HB1 H -5.055 -9.747 -0.486 1.00 . A A . 12 ALA HB1 1 1 15 5337 1 1 12 ALA HB2 H -4.127 -9.528 -1.970 1.00 . A A . 12 ALA HB2 1 1 15 5338 1 1 12 ALA HB3 H -5.360 -8.351 -1.520 1.00 . A A . 12 ALA HB3 1 1 15 5339 1 1 12 ALA N N -3.472 -6.865 -0.903 1.00 . A A . 12 ALA N 1 1 15 5340 1 1 12 ALA O O -2.144 -10.144 -0.649 1.00 . A A . 12 ALA O 1 1 15 5341 1 1 13 ALA C C 0.683 -9.139 1.180 1.00 . A A . 13 ALA C 1 1 15 5342 1 1 13 ALA CA C 0.213 -8.761 -0.225 1.00 . A A . 13 ALA CA 1 1 15 5343 1 1 13 ALA CB C 1.191 -7.790 -0.865 1.00 . A A . 13 ALA CB 1 1 15 5344 1 1 13 ALA H H -1.233 -7.232 -0.027 1.00 . A A . 13 ALA H 1 1 15 5345 1 1 13 ALA HA H 0.181 -9.654 -0.831 1.00 . A A . 13 ALA HA 1 1 15 5346 1 1 13 ALA HB1 H 1.565 -7.107 -0.116 1.00 . A A . 13 ALA HB1 1 1 15 5347 1 1 13 ALA HB2 H 0.687 -7.231 -1.641 1.00 . A A . 13 ALA HB2 1 1 15 5348 1 1 13 ALA HB3 H 2.016 -8.339 -1.295 1.00 . A A . 13 ALA HB3 1 1 15 5349 1 1 13 ALA N N -1.128 -8.188 -0.204 1.00 . A A . 13 ALA N 1 1 15 5350 1 1 13 ALA O O 1.792 -9.644 1.355 1.00 . A A . 13 ALA O 1 1 15 5351 1 1 14 ALA C C 1.456 -8.497 3.993 1.00 . A A . 14 ALA C 1 1 15 5352 1 1 14 ALA CA C 0.178 -9.209 3.561 1.00 . A A . 14 ALA CA 1 1 15 5353 1 1 14 ALA CB C 0.325 -10.712 3.736 1.00 . A A . 14 ALA CB 1 1 15 5354 1 1 14 ALA H H -1.031 -8.488 1.983 1.00 . A A . 14 ALA H 1 1 15 5355 1 1 14 ALA HA H -0.637 -8.875 4.188 1.00 . A A . 14 ALA HA 1 1 15 5356 1 1 14 ALA HB1 H 1.368 -10.983 3.664 1.00 . A A . 14 ALA HB1 1 1 15 5357 1 1 14 ALA HB2 H -0.232 -11.222 2.962 1.00 . A A . 14 ALA HB2 1 1 15 5358 1 1 14 ALA HB3 H -0.056 -11.002 4.704 1.00 . A A . 14 ALA HB3 1 1 15 5359 1 1 14 ALA N N -0.161 -8.891 2.179 1.00 . A A . 14 ALA N 1 1 15 5360 1 1 14 ALA O O 2.206 -9.001 4.829 1.00 . A A . 14 ALA O 1 1 15 5361 1 1 15 ASN C C 2.637 -5.055 3.510 1.00 . A A . 15 ASN C 1 1 15 5362 1 1 15 ASN CA C 2.883 -6.542 3.746 1.00 . A A . 15 ASN CA 1 1 15 5363 1 1 15 ASN CB C 4.076 -7.014 2.912 1.00 . A A . 15 ASN CB 1 1 15 5364 1 1 15 ASN CG C 5.348 -7.116 3.729 1.00 . A A . 15 ASN CG 1 1 15 5365 1 1 15 ASN H H 1.060 -6.973 2.760 1.00 . A A . 15 ASN H 1 1 15 5366 1 1 15 ASN HA H 3.103 -6.696 4.792 1.00 . A A . 15 ASN HA 1 1 15 5367 1 1 15 ASN HB2 H 3.856 -7.988 2.500 1.00 . A A . 15 ASN HB2 1 1 15 5368 1 1 15 ASN HB3 H 4.243 -6.315 2.104 1.00 . A A . 15 ASN HB3 1 1 15 5369 1 1 15 ASN HD21 H 6.333 -6.039 2.380 1.00 . A A . 15 ASN HD21 1 1 15 5370 1 1 15 ASN HD22 H 7.257 -6.562 3.742 1.00 . A A . 15 ASN HD22 1 1 15 5371 1 1 15 ASN N N 1.696 -7.323 3.419 1.00 . A A . 15 ASN N 1 1 15 5372 1 1 15 ASN ND2 N 6.421 -6.511 3.234 1.00 . A A . 15 ASN ND2 1 1 15 5373 1 1 15 ASN O O 2.447 -4.619 2.373 1.00 . A A . 15 ASN O 1 1 15 5374 1 1 15 ASN OD1 O 5.367 -7.733 4.795 1.00 . A A . 15 ASN OD1 1 1 15 5375 1 1 16 VAL C C 3.642 -2.129 3.941 1.00 . A A . 16 VAL C 1 1 15 5376 1 1 16 VAL CA C 2.417 -2.843 4.501 1.00 . A A . 16 VAL CA 1 1 15 5377 1 1 16 VAL CB C 2.071 -2.241 5.875 1.00 . A A . 16 VAL CB 1 1 15 5378 1 1 16 VAL CG1 C 1.606 -0.800 5.726 1.00 . A A . 16 VAL CG1 1 1 15 5379 1 1 16 VAL CG2 C 1.015 -3.081 6.579 1.00 . A A . 16 VAL CG2 1 1 15 5380 1 1 16 VAL H H 2.797 -4.687 5.468 1.00 . A A . 16 VAL H 1 1 15 5381 1 1 16 VAL HA H 1.581 -2.676 3.837 1.00 . A A . 16 VAL HA 1 1 15 5382 1 1 16 VAL HB H 2.966 -2.244 6.483 1.00 . A A . 16 VAL HB 1 1 15 5383 1 1 16 VAL HG11 H 0.899 -0.733 4.912 1.00 . A A . 16 VAL HG11 1 1 15 5384 1 1 16 VAL HG12 H 2.455 -0.168 5.519 1.00 . A A . 16 VAL HG12 1 1 15 5385 1 1 16 VAL HG13 H 1.131 -0.479 6.641 1.00 . A A . 16 VAL HG13 1 1 15 5386 1 1 16 VAL HG21 H 0.494 -3.687 5.852 1.00 . A A . 16 VAL HG21 1 1 15 5387 1 1 16 VAL HG22 H 0.311 -2.432 7.077 1.00 . A A . 16 VAL HG22 1 1 15 5388 1 1 16 VAL HG23 H 1.491 -3.722 7.306 1.00 . A A . 16 VAL HG23 1 1 15 5389 1 1 16 VAL N N 2.640 -4.281 4.590 1.00 . A A . 16 VAL N 1 1 15 5390 1 1 16 VAL O O 3.521 -1.136 3.224 1.00 . A A . 16 VAL O 1 1 15 5391 1 1 17 ALA C C 6.197 -2.164 2.291 1.00 . A A . 17 ALA C 1 1 15 5392 1 1 17 ALA CA C 6.070 -2.050 3.806 1.00 . A A . 17 ALA CA 1 1 15 5393 1 1 17 ALA CB C 7.258 -2.712 4.489 1.00 . A A . 17 ALA CB 1 1 15 5394 1 1 17 ALA H H 4.856 -3.433 4.851 1.00 . A A . 17 ALA H 1 1 15 5395 1 1 17 ALA HA H 6.065 -1.004 4.078 1.00 . A A . 17 ALA HA 1 1 15 5396 1 1 17 ALA HB1 H 7.069 -3.770 4.591 1.00 . A A . 17 ALA HB1 1 1 15 5397 1 1 17 ALA HB2 H 7.400 -2.276 5.466 1.00 . A A . 17 ALA HB2 1 1 15 5398 1 1 17 ALA HB3 H 8.146 -2.560 3.894 1.00 . A A . 17 ALA HB3 1 1 15 5399 1 1 17 ALA N N 4.823 -2.640 4.275 1.00 . A A . 17 ALA N 1 1 15 5400 1 1 17 ALA O O 6.470 -1.178 1.606 1.00 . A A . 17 ALA O 1 1 15 5401 1 1 18 ALA C C 5.155 -2.681 -0.433 1.00 . A A . 18 ALA C 1 1 15 5402 1 1 18 ALA CA C 6.086 -3.611 0.337 1.00 . A A . 18 ALA CA 1 1 15 5403 1 1 18 ALA CB C 5.761 -5.064 0.022 1.00 . A A . 18 ALA CB 1 1 15 5404 1 1 18 ALA H H 5.779 -4.119 2.370 1.00 . A A . 18 ALA H 1 1 15 5405 1 1 18 ALA HA H 7.104 -3.419 0.030 1.00 . A A . 18 ALA HA 1 1 15 5406 1 1 18 ALA HB1 H 5.704 -5.196 -1.048 1.00 . A A . 18 ALA HB1 1 1 15 5407 1 1 18 ALA HB2 H 4.814 -5.325 0.468 1.00 . A A . 18 ALA HB2 1 1 15 5408 1 1 18 ALA HB3 H 6.536 -5.701 0.423 1.00 . A A . 18 ALA HB3 1 1 15 5409 1 1 18 ALA N N 5.996 -3.371 1.772 1.00 . A A . 18 ALA N 1 1 15 5410 1 1 18 ALA O O 5.497 -2.193 -1.510 1.00 . A A . 18 ALA O 1 1 15 5411 1 1 19 HIS C C 3.401 -0.096 -0.345 1.00 . A A . 19 HIS C 1 1 15 5412 1 1 19 HIS CA C 2.995 -1.562 -0.496 1.00 . A A . 19 HIS CA 1 1 15 5413 1 1 19 HIS CB C 1.605 -1.804 0.114 1.00 . A A . 19 HIS CB 1 1 15 5414 1 1 19 HIS CD2 C 0.338 0.229 1.084 1.00 . A A . 19 HIS CD2 1 1 15 5415 1 1 19 HIS CE1 C -0.589 0.887 -0.770 1.00 . A A . 19 HIS CE1 1 1 15 5416 1 1 19 HIS CG C 0.700 -0.607 0.080 1.00 . A A . 19 HIS CG 1 1 15 5417 1 1 19 HIS H H 3.763 -2.854 0.992 1.00 . A A . 19 HIS H 1 1 15 5418 1 1 19 HIS HA H 2.962 -1.804 -1.549 1.00 . A A . 19 HIS HA 1 1 15 5419 1 1 19 HIS HB2 H 1.117 -2.599 -0.429 1.00 . A A . 19 HIS HB2 1 1 15 5420 1 1 19 HIS HB3 H 1.722 -2.102 1.146 1.00 . A A . 19 HIS HB3 1 1 15 5421 1 1 19 HIS HD2 H 0.647 0.172 2.114 1.00 . A A . 19 HIS HD2 1 1 15 5422 1 1 19 HIS HE1 H -1.141 1.474 -1.486 1.00 . A A . 19 HIS HE1 1 1 15 5423 1 1 19 HIS HE2 H -0.761 2.015 0.961 1.00 . A A . 19 HIS HE2 1 1 15 5424 1 1 19 HIS N N 3.977 -2.437 0.132 1.00 . A A . 19 HIS N 1 1 15 5425 1 1 19 HIS ND1 N 0.108 -0.183 -1.084 1.00 . A A . 19 HIS ND1 1 1 15 5426 1 1 19 HIS NE2 N -0.484 1.177 0.533 1.00 . A A . 19 HIS NE2 1 1 15 5427 1 1 19 HIS O O 3.592 0.609 -1.334 1.00 . A A . 19 HIS O 1 1 15 5428 1 1 20 MET C C 5.107 2.180 0.366 1.00 . A A . 20 MET C 1 1 15 5429 1 1 20 MET CA C 3.899 1.738 1.190 1.00 . A A . 20 MET CA 1 1 15 5430 1 1 20 MET CB C 4.199 1.904 2.681 1.00 . A A . 20 MET CB 1 1 15 5431 1 1 20 MET CE C 4.816 2.468 5.563 1.00 . A A . 20 MET CE 1 1 15 5432 1 1 20 MET CG C 2.961 2.160 3.526 1.00 . A A . 20 MET CG 1 1 15 5433 1 1 20 MET H H 3.355 -0.259 1.648 1.00 . A A . 20 MET H 1 1 15 5434 1 1 20 MET HA H 3.057 2.364 0.933 1.00 . A A . 20 MET HA 1 1 15 5435 1 1 20 MET HB2 H 4.675 1.004 3.044 1.00 . A A . 20 MET HB2 1 1 15 5436 1 1 20 MET HB3 H 4.876 2.735 2.810 1.00 . A A . 20 MET HB3 1 1 15 5437 1 1 20 MET HE1 H 4.619 1.457 5.886 1.00 . A A . 20 MET HE1 1 1 15 5438 1 1 20 MET HE2 H 5.189 3.046 6.395 1.00 . A A . 20 MET HE2 1 1 15 5439 1 1 20 MET HE3 H 5.553 2.457 4.773 1.00 . A A . 20 MET HE3 1 1 15 5440 1 1 20 MET HG2 H 2.218 2.646 2.912 1.00 . A A . 20 MET HG2 1 1 15 5441 1 1 20 MET HG3 H 2.577 1.212 3.874 1.00 . A A . 20 MET HG3 1 1 15 5442 1 1 20 MET N N 3.525 0.354 0.902 1.00 . A A . 20 MET N 1 1 15 5443 1 1 20 MET O O 5.119 3.279 -0.189 1.00 . A A . 20 MET O 1 1 15 5444 1 1 20 MET SD S 3.302 3.206 4.955 1.00 . A A . 20 MET SD 1 1 15 5445 1 1 21 THR C C 6.995 1.966 -1.923 1.00 . A A . 21 THR C 1 1 15 5446 1 1 21 THR CA C 7.327 1.637 -0.469 1.00 . A A . 21 THR CA 1 1 15 5447 1 1 21 THR CB C 8.311 0.465 -0.410 1.00 . A A . 21 THR CB 1 1 15 5448 1 1 21 THR CG2 C 7.805 -0.780 -1.105 1.00 . A A . 21 THR CG2 1 1 15 5449 1 1 21 THR H H 6.055 0.462 0.753 1.00 . A A . 21 THR H 1 1 15 5450 1 1 21 THR HA H 7.787 2.501 -0.014 1.00 . A A . 21 THR HA 1 1 15 5451 1 1 21 THR HB H 8.494 0.214 0.625 1.00 . A A . 21 THR HB 1 1 15 5452 1 1 21 THR HG1 H 10.206 0.154 -0.794 1.00 . A A . 21 THR HG1 1 1 15 5453 1 1 21 THR HG21 H 6.973 -0.523 -1.744 1.00 . A A . 21 THR HG21 1 1 15 5454 1 1 21 THR HG22 H 7.483 -1.499 -0.366 1.00 . A A . 21 THR HG22 1 1 15 5455 1 1 21 THR HG23 H 8.598 -1.207 -1.701 1.00 . A A . 21 THR HG23 1 1 15 5456 1 1 21 THR N N 6.120 1.323 0.289 1.00 . A A . 21 THR N 1 1 15 5457 1 1 21 THR O O 7.749 2.663 -2.601 1.00 . A A . 21 THR O 1 1 15 5458 1 1 21 THR OG1 O 9.546 0.817 -1.006 1.00 . A A . 21 THR OG1 1 1 15 5459 1 1 22 HIS C C 4.092 2.446 -3.795 1.00 . A A . 22 HIS C 1 1 15 5460 1 1 22 HIS CA C 5.423 1.690 -3.764 1.00 . A A . 22 HIS CA 1 1 15 5461 1 1 22 HIS CB C 5.310 0.343 -4.504 1.00 . A A . 22 HIS CB 1 1 15 5462 1 1 22 HIS CD2 C 2.728 0.091 -4.778 1.00 . A A . 22 HIS CD2 1 1 15 5463 1 1 22 HIS CE1 C 2.680 -0.270 -6.942 1.00 . A A . 22 HIS CE1 1 1 15 5464 1 1 22 HIS CG C 4.011 0.118 -5.228 1.00 . A A . 22 HIS CG 1 1 15 5465 1 1 22 HIS H H 5.305 0.911 -1.811 1.00 . A A . 22 HIS H 1 1 15 5466 1 1 22 HIS HA H 6.171 2.292 -4.243 1.00 . A A . 22 HIS HA 1 1 15 5467 1 1 22 HIS HB2 H 6.103 0.280 -5.233 1.00 . A A . 22 HIS HB2 1 1 15 5468 1 1 22 HIS HB3 H 5.432 -0.457 -3.787 1.00 . A A . 22 HIS HB3 1 1 15 5469 1 1 22 HIS HD1 H 4.706 -0.154 -7.198 1.00 . A A . 22 HIS HD1 1 1 15 5470 1 1 22 HIS HD2 H 2.394 0.240 -3.755 1.00 . A A . 22 HIS HD2 1 1 15 5471 1 1 22 HIS HE1 H 2.326 -0.465 -7.944 1.00 . A A . 22 HIS HE1 1 1 15 5472 1 1 22 HIS HE2 H 0.945 -0.153 -5.861 1.00 . A A . 22 HIS HE2 1 1 15 5473 1 1 22 HIS N N 5.860 1.458 -2.396 1.00 . A A . 22 HIS N 1 1 15 5474 1 1 22 HIS ND1 N 3.942 -0.113 -6.585 1.00 . A A . 22 HIS ND1 1 1 15 5475 1 1 22 HIS NE2 N 1.925 -0.152 -5.866 1.00 . A A . 22 HIS NE2 1 1 15 5476 1 1 22 HIS O O 3.511 2.660 -4.859 1.00 . A A . 22 HIS O 1 1 15 5477 1 1 23 CYS C C 2.385 4.581 -1.417 1.00 . A A . 23 CYS C 1 1 15 5478 1 1 23 CYS CA C 2.339 3.525 -2.519 1.00 . A A . 23 CYS CA 1 1 15 5479 1 1 23 CYS CB C 1.251 2.502 -2.211 1.00 . A A . 23 CYS CB 1 1 15 5480 1 1 23 CYS H H 4.097 2.623 -1.808 1.00 . A A . 23 CYS H 1 1 15 5481 1 1 23 CYS HA H 2.128 4.000 -3.465 1.00 . A A . 23 CYS HA 1 1 15 5482 1 1 23 CYS HB2 H 1.704 1.655 -1.720 1.00 . A A . 23 CYS HB2 1 1 15 5483 1 1 23 CYS HB3 H 0.534 2.945 -1.541 1.00 . A A . 23 CYS HB3 1 1 15 5484 1 1 23 CYS N N 3.606 2.831 -2.624 1.00 . A A . 23 CYS N 1 1 15 5485 1 1 23 CYS O O 1.949 4.337 -0.293 1.00 . A A . 23 CYS O 1 1 15 5486 1 1 23 CYS SG S 0.355 1.867 -3.670 1.00 . A A . 23 CYS SG 1 1 15 5487 1 1 24 ALA C C 1.655 7.480 -0.533 1.00 . A A . 24 ALA C 1 1 15 5488 1 1 24 ALA CA C 3.017 6.845 -0.789 1.00 . A A . 24 ALA CA 1 1 15 5489 1 1 24 ALA CB C 4.005 7.891 -1.282 1.00 . A A . 24 ALA CB 1 1 15 5490 1 1 24 ALA H H 3.246 5.887 -2.662 1.00 . A A . 24 ALA H 1 1 15 5491 1 1 24 ALA HA H 3.393 6.438 0.139 1.00 . A A . 24 ALA HA 1 1 15 5492 1 1 24 ALA HB1 H 4.672 7.444 -2.006 1.00 . A A . 24 ALA HB1 1 1 15 5493 1 1 24 ALA HB2 H 4.579 8.266 -0.448 1.00 . A A . 24 ALA HB2 1 1 15 5494 1 1 24 ALA HB3 H 3.467 8.705 -1.744 1.00 . A A . 24 ALA HB3 1 1 15 5495 1 1 24 ALA N N 2.915 5.753 -1.749 1.00 . A A . 24 ALA N 1 1 15 5496 1 1 24 ALA O O 0.665 7.132 -1.177 1.00 . A A . 24 ALA O 1 1 15 5497 1 1 25 LYS C C 0.588 10.605 0.851 1.00 . A A . 25 LYS C 1 1 15 5498 1 1 25 LYS CA C 0.370 9.099 0.752 1.00 . A A . 25 LYS CA 1 1 15 5499 1 1 25 LYS CB C -0.187 8.564 2.072 1.00 . A A . 25 LYS CB 1 1 15 5500 1 1 25 LYS CD C -1.399 10.407 3.276 1.00 . A A . 25 LYS CD 1 1 15 5501 1 1 25 LYS CE C -2.721 10.810 3.909 1.00 . A A . 25 LYS CE 1 1 15 5502 1 1 25 LYS CG C -1.542 9.145 2.442 1.00 . A A . 25 LYS CG 1 1 15 5503 1 1 25 LYS H H 2.433 8.649 0.890 1.00 . A A . 25 LYS H 1 1 15 5504 1 1 25 LYS HA H -0.344 8.902 -0.034 1.00 . A A . 25 LYS HA 1 1 15 5505 1 1 25 LYS HB2 H -0.286 7.491 2.000 1.00 . A A . 25 LYS HB2 1 1 15 5506 1 1 25 LYS HB3 H 0.510 8.799 2.864 1.00 . A A . 25 LYS HB3 1 1 15 5507 1 1 25 LYS HD2 H -0.676 10.230 4.059 1.00 . A A . 25 LYS HD2 1 1 15 5508 1 1 25 LYS HD3 H -1.054 11.210 2.640 1.00 . A A . 25 LYS HD3 1 1 15 5509 1 1 25 LYS HE2 H -2.934 10.137 4.726 1.00 . A A . 25 LYS HE2 1 1 15 5510 1 1 25 LYS HE3 H -2.631 11.817 4.288 1.00 . A A . 25 LYS HE3 1 1 15 5511 1 1 25 LYS HG2 H -2.079 9.383 1.536 1.00 . A A . 25 LYS HG2 1 1 15 5512 1 1 25 LYS HG3 H -2.095 8.410 3.009 1.00 . A A . 25 LYS HG3 1 1 15 5513 1 1 25 LYS HZ1 H -4.649 11.313 3.283 1.00 . A A . 25 LYS HZ1 1 1 15 5514 1 1 25 LYS HZ2 H -4.150 9.773 2.794 1.00 . A A . 25 LYS HZ2 1 1 15 5515 1 1 25 LYS HZ3 H -3.538 11.146 2.017 1.00 . A A . 25 LYS HZ3 1 1 15 5516 1 1 25 LYS N N 1.611 8.414 0.410 1.00 . A A . 25 LYS N 1 1 15 5517 1 1 25 LYS NZ N -3.843 10.756 2.932 1.00 . A A . 25 LYS NZ 1 1 15 5518 1 1 25 LYS O O 0.248 11.317 -0.117 1.00 . A A . 25 LYS O 1 1 15 5519 1 1 25 LYS OXT O 1.097 11.060 1.897 1.00 . A A . 25 LYS OXT 1 1 15 5520 2 2 1 ZN ZN ZN -0.305 -0.262 -3.028 1.00 . B A . 26 ZN ZN 1 1 16 5521 1 1 1 ARG C C -1.712 -0.604 6.571 1.00 . A A . 1 ARG C 1 1 16 5522 1 1 1 ARG CA C -1.886 -0.457 8.078 1.00 . A A . 1 ARG CA 1 1 16 5523 1 1 1 ARG CB C -3.286 0.069 8.400 1.00 . A A . 1 ARG CB 1 1 16 5524 1 1 1 ARG CD C -4.429 -1.224 10.227 1.00 . A A . 1 ARG CD 1 1 16 5525 1 1 1 ARG CG C -4.288 -1.026 8.727 1.00 . A A . 1 ARG CG 1 1 16 5526 1 1 1 ARG CZ C -6.160 -1.882 11.852 1.00 . A A . 1 ARG CZ 1 1 16 5527 1 1 1 ARG H1 H -1.028 1.408 8.196 1.00 . A A . 1 ARG H1 1 1 16 5528 1 1 1 ARG H2 H 0.060 0.104 8.435 1.00 . A A . 1 ARG H2 1 1 16 5529 1 1 1 ARG H3 H -1.046 0.538 9.672 1.00 . A A . 1 ARG H3 1 1 16 5530 1 1 1 ARG HA H -1.754 -1.423 8.545 1.00 . A A . 1 ARG HA 1 1 16 5531 1 1 1 ARG HB2 H -3.222 0.734 9.250 1.00 . A A . 1 ARG HB2 1 1 16 5532 1 1 1 ARG HB3 H -3.655 0.622 7.549 1.00 . A A . 1 ARG HB3 1 1 16 5533 1 1 1 ARG HD2 H -3.745 -1.999 10.541 1.00 . A A . 1 ARG HD2 1 1 16 5534 1 1 1 ARG HD3 H -4.176 -0.299 10.724 1.00 . A A . 1 ARG HD3 1 1 16 5535 1 1 1 ARG HE H -6.454 -1.669 9.890 1.00 . A A . 1 ARG HE 1 1 16 5536 1 1 1 ARG HG2 H -5.249 -0.755 8.318 1.00 . A A . 1 ARG HG2 1 1 16 5537 1 1 1 ARG HG3 H -3.953 -1.952 8.280 1.00 . A A . 1 ARG HG3 1 1 16 5538 1 1 1 ARG HH11 H -4.336 -1.554 12.659 1.00 . A A . 1 ARG HH11 1 1 16 5539 1 1 1 ARG HH12 H -5.570 -2.017 13.781 1.00 . A A . 1 ARG HH12 1 1 16 5540 1 1 1 ARG HH21 H -8.081 -2.278 11.363 1.00 . A A . 1 ARG HH21 1 1 16 5541 1 1 1 ARG HH22 H -7.697 -2.429 13.046 1.00 . A A . 1 ARG HH22 1 1 16 5542 1 1 1 ARG N N -0.884 0.483 8.647 1.00 . A A . 1 ARG N 1 1 16 5543 1 1 1 ARG NE N -5.787 -1.610 10.604 1.00 . A A . 1 ARG NE 1 1 16 5544 1 1 1 ARG NH1 N -5.283 -1.812 12.845 1.00 . A A . 1 ARG NH1 1 1 16 5545 1 1 1 ARG NH2 N -7.416 -2.224 12.108 1.00 . A A . 1 ARG NH2 1 1 16 5546 1 1 1 ARG O O -0.967 0.151 5.946 1.00 . A A . 1 ARG O 1 1 16 5547 1 1 2 VAL C C -3.707 -2.114 3.975 1.00 . A A . 2 VAL C 1 1 16 5548 1 1 2 VAL CA C -2.326 -1.827 4.558 1.00 . A A . 2 VAL CA 1 1 16 5549 1 1 2 VAL CB C -1.380 -3.004 4.242 1.00 . A A . 2 VAL CB 1 1 16 5550 1 1 2 VAL CG1 C -1.879 -4.285 4.892 1.00 . A A . 2 VAL CG1 1 1 16 5551 1 1 2 VAL CG2 C -1.226 -3.183 2.737 1.00 . A A . 2 VAL CG2 1 1 16 5552 1 1 2 VAL H H -2.980 -2.150 6.544 1.00 . A A . 2 VAL H 1 1 16 5553 1 1 2 VAL HA H -1.927 -0.937 4.090 1.00 . A A . 2 VAL HA 1 1 16 5554 1 1 2 VAL HB H -0.407 -2.776 4.655 1.00 . A A . 2 VAL HB 1 1 16 5555 1 1 2 VAL HG11 H -2.959 -4.279 4.921 1.00 . A A . 2 VAL HG11 1 1 16 5556 1 1 2 VAL HG12 H -1.494 -4.352 5.900 1.00 . A A . 2 VAL HG12 1 1 16 5557 1 1 2 VAL HG13 H -1.539 -5.136 4.320 1.00 . A A . 2 VAL HG13 1 1 16 5558 1 1 2 VAL HG21 H -1.991 -2.617 2.226 1.00 . A A . 2 VAL HG21 1 1 16 5559 1 1 2 VAL HG22 H -1.322 -4.228 2.486 1.00 . A A . 2 VAL HG22 1 1 16 5560 1 1 2 VAL HG23 H -0.253 -2.827 2.431 1.00 . A A . 2 VAL HG23 1 1 16 5561 1 1 2 VAL N N -2.403 -1.580 5.993 1.00 . A A . 2 VAL N 1 1 16 5562 1 1 2 VAL O O -3.906 -3.105 3.273 1.00 . A A . 2 VAL O 1 1 16 5563 1 1 3 ILE C C -6.483 -0.146 3.030 1.00 . A A . 3 ILE C 1 1 16 5564 1 1 3 ILE CA C -6.024 -1.394 3.780 1.00 . A A . 3 ILE CA 1 1 16 5565 1 1 3 ILE CB C -7.007 -1.692 4.932 1.00 . A A . 3 ILE CB 1 1 16 5566 1 1 3 ILE CD1 C -9.105 -3.120 5.135 1.00 . A A . 3 ILE CD1 1 1 16 5567 1 1 3 ILE CG1 C -8.396 -2.017 4.379 1.00 . A A . 3 ILE CG1 1 1 16 5568 1 1 3 ILE CG2 C -7.074 -0.516 5.899 1.00 . A A . 3 ILE CG2 1 1 16 5569 1 1 3 ILE H H -4.443 -0.466 4.837 1.00 . A A . 3 ILE H 1 1 16 5570 1 1 3 ILE HA H -6.037 -2.234 3.099 1.00 . A A . 3 ILE HA 1 1 16 5571 1 1 3 ILE HB H -6.636 -2.548 5.475 1.00 . A A . 3 ILE HB 1 1 16 5572 1 1 3 ILE HD11 H -9.918 -2.699 5.709 1.00 . A A . 3 ILE HD11 1 1 16 5573 1 1 3 ILE HD12 H -8.407 -3.604 5.803 1.00 . A A . 3 ILE HD12 1 1 16 5574 1 1 3 ILE HD13 H -9.495 -3.844 4.436 1.00 . A A . 3 ILE HD13 1 1 16 5575 1 1 3 ILE HG12 H -9.014 -1.133 4.429 1.00 . A A . 3 ILE HG12 1 1 16 5576 1 1 3 ILE HG13 H -8.302 -2.328 3.349 1.00 . A A . 3 ILE HG13 1 1 16 5577 1 1 3 ILE HG21 H -6.584 0.340 5.461 1.00 . A A . 3 ILE HG21 1 1 16 5578 1 1 3 ILE HG22 H -6.578 -0.781 6.821 1.00 . A A . 3 ILE HG22 1 1 16 5579 1 1 3 ILE HG23 H -8.106 -0.275 6.104 1.00 . A A . 3 ILE HG23 1 1 16 5580 1 1 3 ILE N N -4.661 -1.237 4.273 1.00 . A A . 3 ILE N 1 1 16 5581 1 1 3 ILE O O -7.652 0.233 3.087 1.00 . A A . 3 ILE O 1 1 16 5582 1 1 4 ALA C C -5.354 1.581 0.131 1.00 . A A . 4 ALA C 1 1 16 5583 1 1 4 ALA CA C -5.857 1.696 1.566 1.00 . A A . 4 ALA CA 1 1 16 5584 1 1 4 ALA CB C -5.250 2.915 2.244 1.00 . A A . 4 ALA CB 1 1 16 5585 1 1 4 ALA H H -4.636 0.141 2.321 1.00 . A A . 4 ALA H 1 1 16 5586 1 1 4 ALA HA H -6.929 1.817 1.553 1.00 . A A . 4 ALA HA 1 1 16 5587 1 1 4 ALA HB1 H -4.232 2.697 2.533 1.00 . A A . 4 ALA HB1 1 1 16 5588 1 1 4 ALA HB2 H -5.828 3.164 3.121 1.00 . A A . 4 ALA HB2 1 1 16 5589 1 1 4 ALA HB3 H -5.259 3.749 1.558 1.00 . A A . 4 ALA HB3 1 1 16 5590 1 1 4 ALA N N -5.550 0.490 2.327 1.00 . A A . 4 ALA N 1 1 16 5591 1 1 4 ALA O O -5.002 2.581 -0.496 1.00 . A A . 4 ALA O 1 1 16 5592 1 1 5 CYS C C -5.956 -0.559 -2.577 1.00 . A A . 5 CYS C 1 1 16 5593 1 1 5 CYS CA C -4.866 0.112 -1.748 1.00 . A A . 5 CYS CA 1 1 16 5594 1 1 5 CYS CB C -3.609 -0.758 -1.738 1.00 . A A . 5 CYS CB 1 1 16 5595 1 1 5 CYS H H -5.619 -0.401 0.163 1.00 . A A . 5 CYS H 1 1 16 5596 1 1 5 CYS HA H -4.629 1.067 -2.194 1.00 . A A . 5 CYS HA 1 1 16 5597 1 1 5 CYS HB2 H -2.944 -0.409 -0.962 1.00 . A A . 5 CYS HB2 1 1 16 5598 1 1 5 CYS HB3 H -3.889 -1.780 -1.531 1.00 . A A . 5 CYS HB3 1 1 16 5599 1 1 5 CYS N N -5.325 0.356 -0.385 1.00 . A A . 5 CYS N 1 1 16 5600 1 1 5 CYS O O -6.880 -1.165 -2.032 1.00 . A A . 5 CYS O 1 1 16 5601 1 1 5 CYS SG S -2.683 -0.743 -3.308 1.00 . A A . 5 CYS SG 1 1 16 5602 1 1 6 PHE C C -6.135 -1.946 -5.823 1.00 . A A . 6 PHE C 1 1 16 5603 1 1 6 PHE CA C -6.819 -1.045 -4.800 1.00 . A A . 6 PHE CA 1 1 16 5604 1 1 6 PHE CB C -7.615 0.046 -5.518 1.00 . A A . 6 PHE CB 1 1 16 5605 1 1 6 PHE CD1 C -5.875 1.825 -5.843 1.00 . A A . 6 PHE CD1 1 1 16 5606 1 1 6 PHE CD2 C -6.876 0.853 -7.776 1.00 . A A . 6 PHE CD2 1 1 16 5607 1 1 6 PHE CE1 C -5.097 2.635 -6.649 1.00 . A A . 6 PHE CE1 1 1 16 5608 1 1 6 PHE CE2 C -6.101 1.660 -8.587 1.00 . A A . 6 PHE CE2 1 1 16 5609 1 1 6 PHE CG C -6.772 0.926 -6.396 1.00 . A A . 6 PHE CG 1 1 16 5610 1 1 6 PHE CZ C -5.211 2.553 -8.022 1.00 . A A . 6 PHE CZ 1 1 16 5611 1 1 6 PHE H H -5.085 0.047 -4.270 1.00 . A A . 6 PHE H 1 1 16 5612 1 1 6 PHE HA H -7.497 -1.642 -4.209 1.00 . A A . 6 PHE HA 1 1 16 5613 1 1 6 PHE HB2 H -8.370 -0.415 -6.137 1.00 . A A . 6 PHE HB2 1 1 16 5614 1 1 6 PHE HB3 H -8.096 0.675 -4.781 1.00 . A A . 6 PHE HB3 1 1 16 5615 1 1 6 PHE HD1 H -5.785 1.890 -4.768 1.00 . A A . 6 PHE HD1 1 1 16 5616 1 1 6 PHE HD2 H -7.573 0.156 -8.218 1.00 . A A . 6 PHE HD2 1 1 16 5617 1 1 6 PHE HE1 H -4.402 3.331 -6.204 1.00 . A A . 6 PHE HE1 1 1 16 5618 1 1 6 PHE HE2 H -6.192 1.594 -9.661 1.00 . A A . 6 PHE HE2 1 1 16 5619 1 1 6 PHE HZ H -4.604 3.184 -8.654 1.00 . A A . 6 PHE HZ 1 1 16 5620 1 1 6 PHE N N -5.844 -0.448 -3.896 1.00 . A A . 6 PHE N 1 1 16 5621 1 1 6 PHE O O -6.561 -2.031 -6.974 1.00 . A A . 6 PHE O 1 1 16 5622 1 1 7 LEU C C -4.312 -4.932 -5.718 1.00 . A A . 7 LEU C 1 1 16 5623 1 1 7 LEU CA C -4.326 -3.512 -6.273 1.00 . A A . 7 LEU CA 1 1 16 5624 1 1 7 LEU CB C -2.892 -3.008 -6.452 1.00 . A A . 7 LEU CB 1 1 16 5625 1 1 7 LEU CD1 C -1.387 -1.241 -7.398 1.00 . A A . 7 LEU CD1 1 1 16 5626 1 1 7 LEU CD2 C -2.745 -2.676 -8.931 1.00 . A A . 7 LEU CD2 1 1 16 5627 1 1 7 LEU CG C -2.700 -1.988 -7.575 1.00 . A A . 7 LEU CG 1 1 16 5628 1 1 7 LEU H H -4.779 -2.507 -4.466 1.00 . A A . 7 LEU H 1 1 16 5629 1 1 7 LEU HA H -4.818 -3.518 -7.234 1.00 . A A . 7 LEU HA 1 1 16 5630 1 1 7 LEU HB2 H -2.574 -2.556 -5.524 1.00 . A A . 7 LEU HB2 1 1 16 5631 1 1 7 LEU HB3 H -2.257 -3.858 -6.655 1.00 . A A . 7 LEU HB3 1 1 16 5632 1 1 7 LEU HD11 H -1.145 -1.182 -6.347 1.00 . A A . 7 LEU HD11 1 1 16 5633 1 1 7 LEU HD12 H -1.483 -0.245 -7.802 1.00 . A A . 7 LEU HD12 1 1 16 5634 1 1 7 LEU HD13 H -0.601 -1.767 -7.919 1.00 . A A . 7 LEU HD13 1 1 16 5635 1 1 7 LEU HD21 H -2.965 -1.946 -9.697 1.00 . A A . 7 LEU HD21 1 1 16 5636 1 1 7 LEU HD22 H -3.515 -3.433 -8.925 1.00 . A A . 7 LEU HD22 1 1 16 5637 1 1 7 LEU HD23 H -1.789 -3.134 -9.135 1.00 . A A . 7 LEU HD23 1 1 16 5638 1 1 7 LEU HG H -3.502 -1.266 -7.537 1.00 . A A . 7 LEU HG 1 1 16 5639 1 1 7 LEU N N -5.070 -2.616 -5.395 1.00 . A A . 7 LEU N 1 1 16 5640 1 1 7 LEU O O -4.161 -5.137 -4.513 1.00 . A A . 7 LEU O 1 1 16 5641 1 1 8 LYS C C -3.117 -7.724 -5.649 1.00 . A A . 8 LYS C 1 1 16 5642 1 1 8 LYS CA C -4.476 -7.312 -6.203 1.00 . A A . 8 LYS CA 1 1 16 5643 1 1 8 LYS CB C -4.849 -8.202 -7.389 1.00 . A A . 8 LYS CB 1 1 16 5644 1 1 8 LYS CD C -6.775 -8.542 -8.967 1.00 . A A . 8 LYS CD 1 1 16 5645 1 1 8 LYS CE C -7.384 -7.233 -9.443 1.00 . A A . 8 LYS CE 1 1 16 5646 1 1 8 LYS CG C -6.342 -8.460 -7.512 1.00 . A A . 8 LYS CG 1 1 16 5647 1 1 8 LYS H H -4.586 -5.683 -7.550 1.00 . A A . 8 LYS H 1 1 16 5648 1 1 8 LYS HA H -5.218 -7.432 -5.427 1.00 . A A . 8 LYS HA 1 1 16 5649 1 1 8 LYS HB2 H -4.510 -7.730 -8.300 1.00 . A A . 8 LYS HB2 1 1 16 5650 1 1 8 LYS HB3 H -4.349 -9.153 -7.281 1.00 . A A . 8 LYS HB3 1 1 16 5651 1 1 8 LYS HD2 H -5.913 -8.770 -9.577 1.00 . A A . 8 LYS HD2 1 1 16 5652 1 1 8 LYS HD3 H -7.509 -9.329 -9.069 1.00 . A A . 8 LYS HD3 1 1 16 5653 1 1 8 LYS HE2 H -8.459 -7.305 -9.372 1.00 . A A . 8 LYS HE2 1 1 16 5654 1 1 8 LYS HE3 H -7.034 -6.436 -8.804 1.00 . A A . 8 LYS HE3 1 1 16 5655 1 1 8 LYS HG2 H -6.578 -9.393 -7.023 1.00 . A A . 8 LYS HG2 1 1 16 5656 1 1 8 LYS HG3 H -6.876 -7.653 -7.031 1.00 . A A . 8 LYS HG3 1 1 16 5657 1 1 8 LYS HZ1 H -6.846 -7.809 -11.378 1.00 . A A . 8 LYS HZ1 1 1 16 5658 1 1 8 LYS HZ2 H -6.143 -6.355 -10.875 1.00 . A A . 8 LYS HZ2 1 1 16 5659 1 1 8 LYS HZ3 H -7.776 -6.396 -11.316 1.00 . A A . 8 LYS HZ3 1 1 16 5660 1 1 8 LYS N N -4.471 -5.910 -6.604 1.00 . A A . 8 LYS N 1 1 16 5661 1 1 8 LYS NZ N -7.011 -6.927 -10.851 1.00 . A A . 8 LYS NZ 1 1 16 5662 1 1 8 LYS O O -3.028 -8.336 -4.584 1.00 . A A . 8 LYS O 1 1 16 5663 1 1 9 VAL C C -0.066 -6.565 -5.192 1.00 . A A . 9 VAL C 1 1 16 5664 1 1 9 VAL CA C -0.703 -7.720 -5.960 1.00 . A A . 9 VAL CA 1 1 16 5665 1 1 9 VAL CB C 0.184 -8.081 -7.170 1.00 . A A . 9 VAL CB 1 1 16 5666 1 1 9 VAL CG1 C 0.326 -6.892 -8.109 1.00 . A A . 9 VAL CG1 1 1 16 5667 1 1 9 VAL CG2 C 1.548 -8.572 -6.707 1.00 . A A . 9 VAL CG2 1 1 16 5668 1 1 9 VAL H H -2.193 -6.897 -7.218 1.00 . A A . 9 VAL H 1 1 16 5669 1 1 9 VAL HA H -0.759 -8.581 -5.311 1.00 . A A . 9 VAL HA 1 1 16 5670 1 1 9 VAL HB H -0.297 -8.882 -7.713 1.00 . A A . 9 VAL HB 1 1 16 5671 1 1 9 VAL HG11 H -0.463 -6.182 -7.913 1.00 . A A . 9 VAL HG11 1 1 16 5672 1 1 9 VAL HG12 H 0.261 -7.231 -9.132 1.00 . A A . 9 VAL HG12 1 1 16 5673 1 1 9 VAL HG13 H 1.284 -6.419 -7.947 1.00 . A A . 9 VAL HG13 1 1 16 5674 1 1 9 VAL HG21 H 2.253 -7.756 -6.737 1.00 . A A . 9 VAL HG21 1 1 16 5675 1 1 9 VAL HG22 H 1.884 -9.365 -7.358 1.00 . A A . 9 VAL HG22 1 1 16 5676 1 1 9 VAL HG23 H 1.472 -8.944 -5.695 1.00 . A A . 9 VAL HG23 1 1 16 5677 1 1 9 VAL N N -2.058 -7.385 -6.379 1.00 . A A . 9 VAL N 1 1 16 5678 1 1 9 VAL O O 1.084 -6.198 -5.439 1.00 . A A . 9 VAL O 1 1 16 5679 1 1 10 CYS C C -1.013 -4.857 -2.089 1.00 . A A . 10 CYS C 1 1 16 5680 1 1 10 CYS CA C -0.332 -4.882 -3.453 1.00 . A A . 10 CYS CA 1 1 16 5681 1 1 10 CYS CB C -0.569 -3.556 -4.180 1.00 . A A . 10 CYS CB 1 1 16 5682 1 1 10 CYS H H -1.729 -6.331 -4.107 1.00 . A A . 10 CYS H 1 1 16 5683 1 1 10 CYS HA H 0.730 -5.018 -3.310 1.00 . A A . 10 CYS HA 1 1 16 5684 1 1 10 CYS HB2 H -0.554 -3.731 -5.245 1.00 . A A . 10 CYS HB2 1 1 16 5685 1 1 10 CYS HB3 H -1.537 -3.168 -3.897 1.00 . A A . 10 CYS HB3 1 1 16 5686 1 1 10 CYS N N -0.821 -5.995 -4.259 1.00 . A A . 10 CYS N 1 1 16 5687 1 1 10 CYS O O -0.352 -4.929 -1.053 1.00 . A A . 10 CYS O 1 1 16 5688 1 1 10 CYS SG S 0.672 -2.273 -3.812 1.00 . A A . 10 CYS SG 1 1 16 5689 1 1 11 ALA C C -3.196 -6.103 -0.227 1.00 . A A . 11 ALA C 1 1 16 5690 1 1 11 ALA CA C -3.109 -4.719 -0.860 1.00 . A A . 11 ALA CA 1 1 16 5691 1 1 11 ALA CB C -4.503 -4.169 -1.124 1.00 . A A . 11 ALA CB 1 1 16 5692 1 1 11 ALA H H -2.809 -4.699 -2.955 1.00 . A A . 11 ALA H 1 1 16 5693 1 1 11 ALA HA H -2.609 -4.051 -0.174 1.00 . A A . 11 ALA HA 1 1 16 5694 1 1 11 ALA HB1 H -4.793 -3.518 -0.312 1.00 . A A . 11 ALA HB1 1 1 16 5695 1 1 11 ALA HB2 H -5.204 -4.987 -1.198 1.00 . A A . 11 ALA HB2 1 1 16 5696 1 1 11 ALA HB3 H -4.501 -3.611 -2.049 1.00 . A A . 11 ALA HB3 1 1 16 5697 1 1 11 ALA N N -2.338 -4.754 -2.097 1.00 . A A . 11 ALA N 1 1 16 5698 1 1 11 ALA O O -2.927 -6.270 0.962 1.00 . A A . 11 ALA O 1 1 16 5699 1 1 12 ALA C C -2.360 -9.208 -0.608 1.00 . A A . 12 ALA C 1 1 16 5700 1 1 12 ALA CA C -3.695 -8.467 -0.553 1.00 . A A . 12 ALA CA 1 1 16 5701 1 1 12 ALA CB C -4.744 -9.212 -1.365 1.00 . A A . 12 ALA CB 1 1 16 5702 1 1 12 ALA H H -3.773 -6.895 -1.970 1.00 . A A . 12 ALA H 1 1 16 5703 1 1 12 ALA HA H -4.032 -8.431 0.473 1.00 . A A . 12 ALA HA 1 1 16 5704 1 1 12 ALA HB1 H -5.252 -9.925 -0.730 1.00 . A A . 12 ALA HB1 1 1 16 5705 1 1 12 ALA HB2 H -4.266 -9.732 -2.181 1.00 . A A . 12 ALA HB2 1 1 16 5706 1 1 12 ALA HB3 H -5.462 -8.507 -1.759 1.00 . A A . 12 ALA HB3 1 1 16 5707 1 1 12 ALA N N -3.572 -7.093 -1.031 1.00 . A A . 12 ALA N 1 1 16 5708 1 1 12 ALA O O -2.321 -10.408 -0.880 1.00 . A A . 12 ALA O 1 1 16 5709 1 1 13 ALA C C 0.574 -9.380 1.036 1.00 . A A . 13 ALA C 1 1 16 5710 1 1 13 ALA CA C 0.060 -9.097 -0.375 1.00 . A A . 13 ALA CA 1 1 16 5711 1 1 13 ALA CB C 1.033 -8.196 -1.120 1.00 . A A . 13 ALA CB 1 1 16 5712 1 1 13 ALA H H -1.355 -7.544 -0.140 1.00 . A A . 13 ALA H 1 1 16 5713 1 1 13 ALA HA H -0.010 -10.030 -0.913 1.00 . A A . 13 ALA HA 1 1 16 5714 1 1 13 ALA HB1 H 2.033 -8.359 -0.747 1.00 . A A . 13 ALA HB1 1 1 16 5715 1 1 13 ALA HB2 H 0.756 -7.163 -0.968 1.00 . A A . 13 ALA HB2 1 1 16 5716 1 1 13 ALA HB3 H 1.000 -8.425 -2.175 1.00 . A A . 13 ALA HB3 1 1 16 5717 1 1 13 ALA N N -1.268 -8.494 -0.351 1.00 . A A . 13 ALA N 1 1 16 5718 1 1 13 ALA O O 1.678 -9.896 1.209 1.00 . A A . 13 ALA O 1 1 16 5719 1 1 14 ALA C C 1.461 -8.550 3.765 1.00 . A A . 14 ALA C 1 1 16 5720 1 1 14 ALA CA C 0.155 -9.263 3.432 1.00 . A A . 14 ALA CA 1 1 16 5721 1 1 14 ALA CB C 0.279 -10.753 3.713 1.00 . A A . 14 ALA CB 1 1 16 5722 1 1 14 ALA H H -1.097 -8.634 1.848 1.00 . A A . 14 ALA H 1 1 16 5723 1 1 14 ALA HA H -0.630 -8.867 4.061 1.00 . A A . 14 ALA HA 1 1 16 5724 1 1 14 ALA HB1 H 0.853 -10.903 4.615 1.00 . A A . 14 ALA HB1 1 1 16 5725 1 1 14 ALA HB2 H 0.779 -11.235 2.885 1.00 . A A . 14 ALA HB2 1 1 16 5726 1 1 14 ALA HB3 H -0.705 -11.179 3.837 1.00 . A A . 14 ALA HB3 1 1 16 5727 1 1 14 ALA N N -0.228 -9.041 2.043 1.00 . A A . 14 ALA N 1 1 16 5728 1 1 14 ALA O O 2.233 -9.008 4.608 1.00 . A A . 14 ALA O 1 1 16 5729 1 1 15 ASN C C 2.619 -5.154 3.286 1.00 . A A . 15 ASN C 1 1 16 5730 1 1 15 ASN CA C 2.916 -6.649 3.323 1.00 . A A . 15 ASN CA 1 1 16 5731 1 1 15 ASN CB C 3.972 -6.998 2.274 1.00 . A A . 15 ASN CB 1 1 16 5732 1 1 15 ASN CG C 5.372 -7.041 2.854 1.00 . A A . 15 ASN CG 1 1 16 5733 1 1 15 ASN H H 1.049 -7.111 2.439 1.00 . A A . 15 ASN H 1 1 16 5734 1 1 15 ASN HA H 3.295 -6.904 4.301 1.00 . A A . 15 ASN HA 1 1 16 5735 1 1 15 ASN HB2 H 3.747 -7.967 1.853 1.00 . A A . 15 ASN HB2 1 1 16 5736 1 1 15 ASN HB3 H 3.950 -6.256 1.488 1.00 . A A . 15 ASN HB3 1 1 16 5737 1 1 15 ASN HD21 H 5.567 -8.943 2.309 1.00 . A A . 15 ASN HD21 1 1 16 5738 1 1 15 ASN HD22 H 6.928 -8.251 3.115 1.00 . A A . 15 ASN HD22 1 1 16 5739 1 1 15 ASN N N 1.703 -7.426 3.098 1.00 . A A . 15 ASN N 1 1 16 5740 1 1 15 ASN ND2 N 6.021 -8.195 2.749 1.00 . A A . 15 ASN ND2 1 1 16 5741 1 1 15 ASN O O 2.394 -4.581 2.220 1.00 . A A . 15 ASN O 1 1 16 5742 1 1 15 ASN OD1 O 5.865 -6.048 3.390 1.00 . A A . 15 ASN OD1 1 1 16 5743 1 1 16 VAL C C 3.515 -2.278 4.019 1.00 . A A . 16 VAL C 1 1 16 5744 1 1 16 VAL CA C 2.349 -3.098 4.560 1.00 . A A . 16 VAL CA 1 1 16 5745 1 1 16 VAL CB C 2.076 -2.679 6.017 1.00 . A A . 16 VAL CB 1 1 16 5746 1 1 16 VAL CG1 C 1.591 -1.239 6.078 1.00 . A A . 16 VAL CG1 1 1 16 5747 1 1 16 VAL CG2 C 1.069 -3.619 6.662 1.00 . A A . 16 VAL CG2 1 1 16 5748 1 1 16 VAL H H 2.805 -5.037 5.274 1.00 . A A . 16 VAL H 1 1 16 5749 1 1 16 VAL HA H 1.468 -2.882 3.974 1.00 . A A . 16 VAL HA 1 1 16 5750 1 1 16 VAL HB H 3.002 -2.746 6.569 1.00 . A A . 16 VAL HB 1 1 16 5751 1 1 16 VAL HG11 H 0.918 -1.052 5.254 1.00 . A A . 16 VAL HG11 1 1 16 5752 1 1 16 VAL HG12 H 2.436 -0.571 6.011 1.00 . A A . 16 VAL HG12 1 1 16 5753 1 1 16 VAL HG13 H 1.072 -1.073 7.010 1.00 . A A . 16 VAL HG13 1 1 16 5754 1 1 16 VAL HG21 H 0.413 -3.054 7.310 1.00 . A A . 16 VAL HG21 1 1 16 5755 1 1 16 VAL HG22 H 1.591 -4.365 7.243 1.00 . A A . 16 VAL HG22 1 1 16 5756 1 1 16 VAL HG23 H 0.485 -4.103 5.894 1.00 . A A . 16 VAL HG23 1 1 16 5757 1 1 16 VAL N N 2.619 -4.527 4.459 1.00 . A A . 16 VAL N 1 1 16 5758 1 1 16 VAL O O 3.325 -1.366 3.214 1.00 . A A . 16 VAL O 1 1 16 5759 1 1 17 ALA C C 6.096 -2.006 2.516 1.00 . A A . 17 ALA C 1 1 16 5760 1 1 17 ALA CA C 5.919 -1.900 4.027 1.00 . A A . 17 ALA CA 1 1 16 5761 1 1 17 ALA CB C 7.146 -2.444 4.743 1.00 . A A . 17 ALA CB 1 1 16 5762 1 1 17 ALA H H 4.811 -3.343 5.108 1.00 . A A . 17 ALA H 1 1 16 5763 1 1 17 ALA HA H 5.807 -0.859 4.294 1.00 . A A . 17 ALA HA 1 1 16 5764 1 1 17 ALA HB1 H 7.111 -3.523 4.747 1.00 . A A . 17 ALA HB1 1 1 16 5765 1 1 17 ALA HB2 H 7.160 -2.080 5.760 1.00 . A A . 17 ALA HB2 1 1 16 5766 1 1 17 ALA HB3 H 8.037 -2.114 4.231 1.00 . A A . 17 ALA HB3 1 1 16 5767 1 1 17 ALA N N 4.722 -2.608 4.466 1.00 . A A . 17 ALA N 1 1 16 5768 1 1 17 ALA O O 6.366 -1.012 1.843 1.00 . A A . 17 ALA O 1 1 16 5769 1 1 18 ALA C C 5.117 -2.573 -0.238 1.00 . A A . 18 ALA C 1 1 16 5770 1 1 18 ALA CA C 6.079 -3.450 0.557 1.00 . A A . 18 ALA CA 1 1 16 5771 1 1 18 ALA CB C 5.845 -4.918 0.236 1.00 . A A . 18 ALA CB 1 1 16 5772 1 1 18 ALA H H 5.722 -3.970 2.578 1.00 . A A . 18 ALA H 1 1 16 5773 1 1 18 ALA HA H 7.092 -3.202 0.276 1.00 . A A . 18 ALA HA 1 1 16 5774 1 1 18 ALA HB1 H 6.207 -5.527 1.051 1.00 . A A . 18 ALA HB1 1 1 16 5775 1 1 18 ALA HB2 H 6.374 -5.178 -0.670 1.00 . A A . 18 ALA HB2 1 1 16 5776 1 1 18 ALA HB3 H 4.788 -5.093 0.098 1.00 . A A . 18 ALA HB3 1 1 16 5777 1 1 18 ALA N N 5.938 -3.216 1.989 1.00 . A A . 18 ALA N 1 1 16 5778 1 1 18 ALA O O 5.452 -2.085 -1.317 1.00 . A A . 18 ALA O 1 1 16 5779 1 1 19 HIS C C 3.247 -0.070 -0.213 1.00 . A A . 19 HIS C 1 1 16 5780 1 1 19 HIS CA C 2.910 -1.555 -0.348 1.00 . A A . 19 HIS CA 1 1 16 5781 1 1 19 HIS CB C 1.523 -1.851 0.246 1.00 . A A . 19 HIS CB 1 1 16 5782 1 1 19 HIS CD2 C 0.167 0.145 1.173 1.00 . A A . 19 HIS CD2 1 1 16 5783 1 1 19 HIS CE1 C -0.773 0.729 -0.698 1.00 . A A . 19 HIS CE1 1 1 16 5784 1 1 19 HIS CG C 0.569 -0.694 0.186 1.00 . A A . 19 HIS CG 1 1 16 5785 1 1 19 HIS H H 3.714 -2.790 1.169 1.00 . A A . 19 HIS H 1 1 16 5786 1 1 19 HIS HA H 2.904 -1.814 -1.396 1.00 . A A . 19 HIS HA 1 1 16 5787 1 1 19 HIS HB2 H 1.078 -2.673 -0.293 1.00 . A A . 19 HIS HB2 1 1 16 5788 1 1 19 HIS HB3 H 1.640 -2.132 1.283 1.00 . A A . 19 HIS HB3 1 1 16 5789 1 1 19 HIS HD2 H 0.473 0.121 2.205 1.00 . A A . 19 HIS HD2 1 1 16 5790 1 1 19 HIS HE1 H -1.345 1.280 -1.427 1.00 . A A . 19 HIS HE1 1 1 16 5791 1 1 19 HIS HE2 H -1.001 1.882 1.010 1.00 . A A . 19 HIS HE2 1 1 16 5792 1 1 19 HIS N N 3.921 -2.375 0.306 1.00 . A A . 19 HIS N 1 1 16 5793 1 1 19 HIS ND1 N -0.033 -0.317 -0.989 1.00 . A A . 19 HIS ND1 1 1 16 5794 1 1 19 HIS NE2 N -0.690 1.049 0.601 1.00 . A A . 19 HIS NE2 1 1 16 5795 1 1 19 HIS O O 3.431 0.627 -1.210 1.00 . A A . 19 HIS O 1 1 16 5796 1 1 20 MET C C 4.821 2.296 0.485 1.00 . A A . 20 MET C 1 1 16 5797 1 1 20 MET CA C 3.625 1.809 1.300 1.00 . A A . 20 MET CA 1 1 16 5798 1 1 20 MET CB C 3.896 2.010 2.792 1.00 . A A . 20 MET CB 1 1 16 5799 1 1 20 MET CE C 4.869 2.345 5.610 1.00 . A A . 20 MET CE 1 1 16 5800 1 1 20 MET CG C 4.161 3.458 3.173 1.00 . A A . 20 MET CG 1 1 16 5801 1 1 20 MET H H 3.158 -0.201 1.780 1.00 . A A . 20 MET H 1 1 16 5802 1 1 20 MET HA H 2.759 2.392 1.023 1.00 . A A . 20 MET HA 1 1 16 5803 1 1 20 MET HB2 H 3.040 1.664 3.352 1.00 . A A . 20 MET HB2 1 1 16 5804 1 1 20 MET HB3 H 4.759 1.423 3.071 1.00 . A A . 20 MET HB3 1 1 16 5805 1 1 20 MET HE1 H 4.733 1.417 5.076 1.00 . A A . 20 MET HE1 1 1 16 5806 1 1 20 MET HE2 H 3.935 2.640 6.065 1.00 . A A . 20 MET HE2 1 1 16 5807 1 1 20 MET HE3 H 5.618 2.213 6.378 1.00 . A A . 20 MET HE3 1 1 16 5808 1 1 20 MET HG2 H 4.505 3.988 2.298 1.00 . A A . 20 MET HG2 1 1 16 5809 1 1 20 MET HG3 H 3.239 3.899 3.520 1.00 . A A . 20 MET HG3 1 1 16 5810 1 1 20 MET N N 3.321 0.406 1.027 1.00 . A A . 20 MET N 1 1 16 5811 1 1 20 MET O O 4.789 3.385 -0.089 1.00 . A A . 20 MET O 1 1 16 5812 1 1 20 MET SD S 5.404 3.619 4.470 1.00 . A A . 20 MET SD 1 1 16 5813 1 1 21 THR C C 6.751 2.133 -1.775 1.00 . A A . 21 THR C 1 1 16 5814 1 1 21 THR CA C 7.079 1.848 -0.310 1.00 . A A . 21 THR CA 1 1 16 5815 1 1 21 THR CB C 8.118 0.729 -0.213 1.00 . A A . 21 THR CB 1 1 16 5816 1 1 21 THR CG2 C 7.683 -0.554 -0.888 1.00 . A A . 21 THR CG2 1 1 16 5817 1 1 21 THR H H 5.846 0.634 0.915 1.00 . A A . 21 THR H 1 1 16 5818 1 1 21 THR HA H 7.487 2.744 0.134 1.00 . A A . 21 THR HA 1 1 16 5819 1 1 21 THR HB H 8.300 0.510 0.828 1.00 . A A . 21 THR HB 1 1 16 5820 1 1 21 THR HG1 H 9.641 1.947 -0.396 1.00 . A A . 21 THR HG1 1 1 16 5821 1 1 21 THR HG21 H 8.506 -0.957 -1.458 1.00 . A A . 21 THR HG21 1 1 16 5822 1 1 21 THR HG22 H 6.853 -0.351 -1.548 1.00 . A A . 21 THR HG22 1 1 16 5823 1 1 21 THR HG23 H 7.380 -1.270 -0.139 1.00 . A A . 21 THR HG23 1 1 16 5824 1 1 21 THR N N 5.877 1.489 0.438 1.00 . A A . 21 THR N 1 1 16 5825 1 1 21 THR O O 7.478 2.859 -2.453 1.00 . A A . 21 THR O 1 1 16 5826 1 1 21 THR OG1 O 9.342 1.131 -0.803 1.00 . A A . 21 THR OG1 1 1 16 5827 1 1 22 HIS C C 3.866 2.431 -3.699 1.00 . A A . 22 HIS C 1 1 16 5828 1 1 22 HIS CA C 5.228 1.737 -3.634 1.00 . A A . 22 HIS CA 1 1 16 5829 1 1 22 HIS CB C 5.187 0.370 -4.345 1.00 . A A . 22 HIS CB 1 1 16 5830 1 1 22 HIS CD2 C 2.621 -0.004 -4.646 1.00 . A A . 22 HIS CD2 1 1 16 5831 1 1 22 HIS CE1 C 2.618 -0.413 -6.801 1.00 . A A . 22 HIS CE1 1 1 16 5832 1 1 22 HIS CG C 3.908 0.072 -5.080 1.00 . A A . 22 HIS CG 1 1 16 5833 1 1 22 HIS H H 5.122 0.987 -1.670 1.00 . A A . 22 HIS H 1 1 16 5834 1 1 22 HIS HA H 5.956 2.361 -4.116 1.00 . A A . 22 HIS HA 1 1 16 5835 1 1 22 HIS HB2 H 5.991 0.328 -5.063 1.00 . A A . 22 HIS HB2 1 1 16 5836 1 1 22 HIS HB3 H 5.334 -0.408 -3.609 1.00 . A A . 22 HIS HB3 1 1 16 5837 1 1 22 HIS HD1 H 4.641 -0.209 -7.035 1.00 . A A . 22 HIS HD1 1 1 16 5838 1 1 22 HIS HD2 H 2.267 0.151 -3.630 1.00 . A A . 22 HIS HD2 1 1 16 5839 1 1 22 HIS HE1 H 2.287 -0.644 -7.803 1.00 . A A . 22 HIS HE1 1 1 16 5840 1 1 22 HIS HE2 H 0.866 -0.355 -5.744 1.00 . A A . 22 HIS HE2 1 1 16 5841 1 1 22 HIS N N 5.655 1.553 -2.255 1.00 . A A . 22 HIS N 1 1 16 5842 1 1 22 HIS ND1 N 3.867 -0.190 -6.433 1.00 . A A . 22 HIS ND1 1 1 16 5843 1 1 22 HIS NE2 N 1.844 -0.306 -5.738 1.00 . A A . 22 HIS NE2 1 1 16 5844 1 1 22 HIS O O 3.290 2.595 -4.775 1.00 . A A . 22 HIS O 1 1 16 5845 1 1 23 CYS C C 2.031 4.538 -1.393 1.00 . A A . 23 CYS C 1 1 16 5846 1 1 23 CYS CA C 2.049 3.458 -2.472 1.00 . A A . 23 CYS CA 1 1 16 5847 1 1 23 CYS CB C 1.003 2.393 -2.155 1.00 . A A . 23 CYS CB 1 1 16 5848 1 1 23 CYS H H 3.834 2.651 -1.718 1.00 . A A . 23 CYS H 1 1 16 5849 1 1 23 CYS HA H 1.829 3.901 -3.430 1.00 . A A . 23 CYS HA 1 1 16 5850 1 1 23 CYS HB2 H 1.489 1.577 -1.641 1.00 . A A . 23 CYS HB2 1 1 16 5851 1 1 23 CYS HB3 H 0.258 2.816 -1.503 1.00 . A A . 23 CYS HB3 1 1 16 5852 1 1 23 CYS N N 3.347 2.819 -2.544 1.00 . A A . 23 CYS N 1 1 16 5853 1 1 23 CYS O O 0.997 4.796 -0.776 1.00 . A A . 23 CYS O 1 1 16 5854 1 1 23 CYS SG S 0.156 1.688 -3.611 1.00 . A A . 23 CYS SG 1 1 16 5855 1 1 24 ALA C C 2.349 7.373 -0.473 1.00 . A A . 24 ALA C 1 1 16 5856 1 1 24 ALA CA C 3.298 6.218 -0.170 1.00 . A A . 24 ALA CA 1 1 16 5857 1 1 24 ALA CB C 4.732 6.717 -0.095 1.00 . A A . 24 ALA CB 1 1 16 5858 1 1 24 ALA H H 3.971 4.917 -1.698 1.00 . A A . 24 ALA H 1 1 16 5859 1 1 24 ALA HA H 3.038 5.794 0.789 1.00 . A A . 24 ALA HA 1 1 16 5860 1 1 24 ALA HB1 H 5.296 6.094 0.583 1.00 . A A . 24 ALA HB1 1 1 16 5861 1 1 24 ALA HB2 H 4.741 7.737 0.263 1.00 . A A . 24 ALA HB2 1 1 16 5862 1 1 24 ALA HB3 H 5.180 6.677 -1.076 1.00 . A A . 24 ALA HB3 1 1 16 5863 1 1 24 ALA N N 3.181 5.166 -1.173 1.00 . A A . 24 ALA N 1 1 16 5864 1 1 24 ALA O O 1.627 7.352 -1.470 1.00 . A A . 24 ALA O 1 1 16 5865 1 1 25 LYS C C 2.305 10.836 0.305 1.00 . A A . 25 LYS C 1 1 16 5866 1 1 25 LYS CA C 1.496 9.545 0.220 1.00 . A A . 25 LYS CA 1 1 16 5867 1 1 25 LYS CB C 0.390 9.552 1.276 1.00 . A A . 25 LYS CB 1 1 16 5868 1 1 25 LYS CD C -1.078 11.198 2.479 1.00 . A A . 25 LYS CD 1 1 16 5869 1 1 25 LYS CE C -1.813 10.103 3.235 1.00 . A A . 25 LYS CE 1 1 16 5870 1 1 25 LYS CG C -0.586 10.706 1.127 1.00 . A A . 25 LYS CG 1 1 16 5871 1 1 25 LYS H H 2.954 8.339 1.169 1.00 . A A . 25 LYS H 1 1 16 5872 1 1 25 LYS HA H 1.046 9.482 -0.760 1.00 . A A . 25 LYS HA 1 1 16 5873 1 1 25 LYS HB2 H -0.165 8.629 1.205 1.00 . A A . 25 LYS HB2 1 1 16 5874 1 1 25 LYS HB3 H 0.843 9.615 2.254 1.00 . A A . 25 LYS HB3 1 1 16 5875 1 1 25 LYS HD2 H -0.230 11.520 3.064 1.00 . A A . 25 LYS HD2 1 1 16 5876 1 1 25 LYS HD3 H -1.749 12.031 2.326 1.00 . A A . 25 LYS HD3 1 1 16 5877 1 1 25 LYS HE2 H -1.254 9.183 3.146 1.00 . A A . 25 LYS HE2 1 1 16 5878 1 1 25 LYS HE3 H -1.878 10.385 4.276 1.00 . A A . 25 LYS HE3 1 1 16 5879 1 1 25 LYS HG2 H -0.093 11.521 0.618 1.00 . A A . 25 LYS HG2 1 1 16 5880 1 1 25 LYS HG3 H -1.434 10.376 0.544 1.00 . A A . 25 LYS HG3 1 1 16 5881 1 1 25 LYS HZ1 H -3.654 9.116 3.223 1.00 . A A . 25 LYS HZ1 1 1 16 5882 1 1 25 LYS HZ2 H -3.147 9.637 1.696 1.00 . A A . 25 LYS HZ2 1 1 16 5883 1 1 25 LYS HZ3 H -3.752 10.755 2.812 1.00 . A A . 25 LYS HZ3 1 1 16 5884 1 1 25 LYS N N 2.356 8.381 0.393 1.00 . A A . 25 LYS N 1 1 16 5885 1 1 25 LYS NZ N -3.188 9.887 2.705 1.00 . A A . 25 LYS NZ 1 1 16 5886 1 1 25 LYS O O 3.322 10.848 1.030 1.00 . A A . 25 LYS O 1 1 16 5887 1 1 25 LYS OXT O 1.914 11.823 -0.353 1.00 . A A . 25 LYS OXT 1 1 16 5888 2 2 1 ZN ZN ZN -0.430 -0.452 -2.932 1.00 . B A . 26 ZN ZN 1 1 17 5889 1 1 1 ARG C C -2.210 -0.367 5.440 1.00 . A A . 1 ARG C 1 1 17 5890 1 1 1 ARG CA C -2.260 -0.015 6.923 1.00 . A A . 1 ARG CA 1 1 17 5891 1 1 1 ARG CB C -3.684 0.377 7.324 1.00 . A A . 1 ARG CB 1 1 17 5892 1 1 1 ARG CD C -4.474 -0.816 9.389 1.00 . A A . 1 ARG CD 1 1 17 5893 1 1 1 ARG CG C -4.502 -0.782 7.870 1.00 . A A . 1 ARG CG 1 1 17 5894 1 1 1 ARG CZ C -6.046 -1.264 11.234 1.00 . A A . 1 ARG CZ 1 1 17 5895 1 1 1 ARG H1 H -1.577 1.896 6.586 1.00 . A A . 1 ARG H1 1 1 17 5896 1 1 1 ARG H2 H -0.374 0.787 7.102 1.00 . A A . 1 ARG H2 1 1 17 5897 1 1 1 ARG H3 H -1.520 1.396 8.224 1.00 . A A . 1 ARG H3 1 1 17 5898 1 1 1 ARG HA H -1.951 -0.873 7.500 1.00 . A A . 1 ARG HA 1 1 17 5899 1 1 1 ARG HB2 H -3.633 1.143 8.084 1.00 . A A . 1 ARG HB2 1 1 17 5900 1 1 1 ARG HB3 H -4.193 0.774 6.459 1.00 . A A . 1 ARG HB3 1 1 17 5901 1 1 1 ARG HD2 H -3.651 -1.437 9.708 1.00 . A A . 1 ARG HD2 1 1 17 5902 1 1 1 ARG HD3 H -4.329 0.189 9.756 1.00 . A A . 1 ARG HD3 1 1 17 5903 1 1 1 ARG HE H -6.333 -1.798 9.332 1.00 . A A . 1 ARG HE 1 1 17 5904 1 1 1 ARG HG2 H -5.525 -0.673 7.541 1.00 . A A . 1 ARG HG2 1 1 17 5905 1 1 1 ARG HG3 H -4.096 -1.707 7.489 1.00 . A A . 1 ARG HG3 1 1 17 5906 1 1 1 ARG HH11 H -4.368 -0.277 11.784 1.00 . A A . 1 ARG HH11 1 1 17 5907 1 1 1 ARG HH12 H -5.489 -0.604 13.062 1.00 . A A . 1 ARG HH12 1 1 17 5908 1 1 1 ARG HH21 H -7.808 -2.228 11.012 1.00 . A A . 1 ARG HH21 1 1 17 5909 1 1 1 ARG HH22 H -7.442 -1.713 12.625 1.00 . A A . 1 ARG HH22 1 1 17 5910 1 1 1 ARG N N -1.351 1.118 7.237 1.00 . A A . 1 ARG N 1 1 17 5911 1 1 1 ARG NE N -5.714 -1.351 9.948 1.00 . A A . 1 ARG NE 1 1 17 5912 1 1 1 ARG NH1 N -5.234 -0.666 12.097 1.00 . A A . 1 ARG NH1 1 1 17 5913 1 1 1 ARG NH2 N -7.193 -1.777 11.658 1.00 . A A . 1 ARG NH2 1 1 17 5914 1 1 1 ARG O O -2.058 0.508 4.588 1.00 . A A . 1 ARG O 1 1 17 5915 1 1 2 VAL C C -3.722 -2.318 3.214 1.00 . A A . 2 VAL C 1 1 17 5916 1 1 2 VAL CA C -2.309 -2.124 3.759 1.00 . A A . 2 VAL CA 1 1 17 5917 1 1 2 VAL CB C -1.524 -3.445 3.632 1.00 . A A . 2 VAL CB 1 1 17 5918 1 1 2 VAL CG1 C -2.203 -4.556 4.423 1.00 . A A . 2 VAL CG1 1 1 17 5919 1 1 2 VAL CG2 C -1.361 -3.838 2.168 1.00 . A A . 2 VAL CG2 1 1 17 5920 1 1 2 VAL H H -2.458 -2.306 5.862 1.00 . A A . 2 VAL H 1 1 17 5921 1 1 2 VAL HA H -1.807 -1.373 3.164 1.00 . A A . 2 VAL HA 1 1 17 5922 1 1 2 VAL HB H -0.539 -3.293 4.050 1.00 . A A . 2 VAL HB 1 1 17 5923 1 1 2 VAL HG11 H -1.639 -4.755 5.321 1.00 . A A . 2 VAL HG11 1 1 17 5924 1 1 2 VAL HG12 H -2.248 -5.452 3.821 1.00 . A A . 2 VAL HG12 1 1 17 5925 1 1 2 VAL HG13 H -3.205 -4.250 4.686 1.00 . A A . 2 VAL HG13 1 1 17 5926 1 1 2 VAL HG21 H -1.961 -3.185 1.552 1.00 . A A . 2 VAL HG21 1 1 17 5927 1 1 2 VAL HG22 H -1.684 -4.860 2.030 1.00 . A A . 2 VAL HG22 1 1 17 5928 1 1 2 VAL HG23 H -0.323 -3.747 1.885 1.00 . A A . 2 VAL HG23 1 1 17 5929 1 1 2 VAL N N -2.340 -1.655 5.139 1.00 . A A . 2 VAL N 1 1 17 5930 1 1 2 VAL O O -3.995 -3.271 2.484 1.00 . A A . 2 VAL O 1 1 17 5931 1 1 3 ILE C C -6.316 -0.354 2.139 1.00 . A A . 3 ILE C 1 1 17 5932 1 1 3 ILE CA C -6.004 -1.474 3.127 1.00 . A A . 3 ILE CA 1 1 17 5933 1 1 3 ILE CB C -6.985 -1.394 4.314 1.00 . A A . 3 ILE CB 1 1 17 5934 1 1 3 ILE CD1 C -9.369 -2.056 4.912 1.00 . A A . 3 ILE CD1 1 1 17 5935 1 1 3 ILE CG1 C -8.425 -1.578 3.831 1.00 . A A . 3 ILE CG1 1 1 17 5936 1 1 3 ILE CG2 C -6.830 -0.068 5.045 1.00 . A A . 3 ILE CG2 1 1 17 5937 1 1 3 ILE H H -4.342 -0.669 4.161 1.00 . A A . 3 ILE H 1 1 17 5938 1 1 3 ILE HA H -6.147 -2.425 2.633 1.00 . A A . 3 ILE HA 1 1 17 5939 1 1 3 ILE HB H -6.742 -2.186 5.006 1.00 . A A . 3 ILE HB 1 1 17 5940 1 1 3 ILE HD11 H -9.633 -1.227 5.553 1.00 . A A . 3 ILE HD11 1 1 17 5941 1 1 3 ILE HD12 H -8.886 -2.823 5.498 1.00 . A A . 3 ILE HD12 1 1 17 5942 1 1 3 ILE HD13 H -10.263 -2.458 4.458 1.00 . A A . 3 ILE HD13 1 1 17 5943 1 1 3 ILE HG12 H -8.798 -0.635 3.461 1.00 . A A . 3 ILE HG12 1 1 17 5944 1 1 3 ILE HG13 H -8.440 -2.304 3.031 1.00 . A A . 3 ILE HG13 1 1 17 5945 1 1 3 ILE HG21 H -5.835 0.000 5.460 1.00 . A A . 3 ILE HG21 1 1 17 5946 1 1 3 ILE HG22 H -7.558 -0.008 5.841 1.00 . A A . 3 ILE HG22 1 1 17 5947 1 1 3 ILE HG23 H -6.987 0.745 4.352 1.00 . A A . 3 ILE HG23 1 1 17 5948 1 1 3 ILE N N -4.619 -1.406 3.576 1.00 . A A . 3 ILE N 1 1 17 5949 1 1 3 ILE O O -7.161 -0.507 1.258 1.00 . A A . 3 ILE O 1 1 17 5950 1 1 4 ALA C C -5.580 1.549 -0.045 1.00 . A A . 4 ALA C 1 1 17 5951 1 1 4 ALA CA C -5.831 1.919 1.414 1.00 . A A . 4 ALA CA 1 1 17 5952 1 1 4 ALA CB C -4.926 3.069 1.831 1.00 . A A . 4 ALA CB 1 1 17 5953 1 1 4 ALA H H -4.966 0.835 3.013 1.00 . A A . 4 ALA H 1 1 17 5954 1 1 4 ALA HA H -6.855 2.243 1.521 1.00 . A A . 4 ALA HA 1 1 17 5955 1 1 4 ALA HB1 H -5.165 3.368 2.841 1.00 . A A . 4 ALA HB1 1 1 17 5956 1 1 4 ALA HB2 H -5.074 3.905 1.163 1.00 . A A . 4 ALA HB2 1 1 17 5957 1 1 4 ALA HB3 H -3.895 2.750 1.786 1.00 . A A . 4 ALA HB3 1 1 17 5958 1 1 4 ALA N N -5.627 0.773 2.293 1.00 . A A . 4 ALA N 1 1 17 5959 1 1 4 ALA O O -6.132 2.167 -0.955 1.00 . A A . 4 ALA O 1 1 17 5960 1 1 5 CYS C C -5.685 -0.302 -2.373 1.00 . A A . 5 CYS C 1 1 17 5961 1 1 5 CYS CA C -4.422 0.086 -1.610 1.00 . A A . 5 CYS CA 1 1 17 5962 1 1 5 CYS CB C -3.460 -1.103 -1.557 1.00 . A A . 5 CYS CB 1 1 17 5963 1 1 5 CYS H H -4.334 0.083 0.505 1.00 . A A . 5 CYS H 1 1 17 5964 1 1 5 CYS HA H -3.941 0.904 -2.126 1.00 . A A . 5 CYS HA 1 1 17 5965 1 1 5 CYS HB2 H -2.764 -0.959 -0.746 1.00 . A A . 5 CYS HB2 1 1 17 5966 1 1 5 CYS HB3 H -4.027 -2.006 -1.381 1.00 . A A . 5 CYS HB3 1 1 17 5967 1 1 5 CYS N N -4.744 0.538 -0.261 1.00 . A A . 5 CYS N 1 1 17 5968 1 1 5 CYS O O -6.514 -1.062 -1.874 1.00 . A A . 5 CYS O 1 1 17 5969 1 1 5 CYS SG S -2.493 -1.345 -3.083 1.00 . A A . 5 CYS SG 1 1 17 5970 1 1 6 PHE C C -6.664 -1.164 -5.428 1.00 . A A . 6 PHE C 1 1 17 5971 1 1 6 PHE CA C -6.984 -0.068 -4.418 1.00 . A A . 6 PHE CA 1 1 17 5972 1 1 6 PHE CB C -7.445 1.195 -5.147 1.00 . A A . 6 PHE CB 1 1 17 5973 1 1 6 PHE CD1 C -5.525 2.783 -5.434 1.00 . A A . 6 PHE CD1 1 1 17 5974 1 1 6 PHE CD2 C -6.210 1.484 -7.313 1.00 . A A . 6 PHE CD2 1 1 17 5975 1 1 6 PHE CE1 C -4.535 3.373 -6.198 1.00 . A A . 6 PHE CE1 1 1 17 5976 1 1 6 PHE CE2 C -5.223 2.070 -8.082 1.00 . A A . 6 PHE CE2 1 1 17 5977 1 1 6 PHE CG C -6.372 1.833 -5.981 1.00 . A A . 6 PHE CG 1 1 17 5978 1 1 6 PHE CZ C -4.385 3.015 -7.524 1.00 . A A . 6 PHE CZ 1 1 17 5979 1 1 6 PHE H H -5.128 0.823 -3.929 1.00 . A A . 6 PHE H 1 1 17 5980 1 1 6 PHE HA H -7.778 -0.411 -3.772 1.00 . A A . 6 PHE HA 1 1 17 5981 1 1 6 PHE HB2 H -8.268 0.945 -5.801 1.00 . A A . 6 PHE HB2 1 1 17 5982 1 1 6 PHE HB3 H -7.779 1.921 -4.420 1.00 . A A . 6 PHE HB3 1 1 17 5983 1 1 6 PHE HD1 H -5.642 3.063 -4.397 1.00 . A A . 6 PHE HD1 1 1 17 5984 1 1 6 PHE HD2 H -6.865 0.746 -7.749 1.00 . A A . 6 PHE HD2 1 1 17 5985 1 1 6 PHE HE1 H -3.881 4.111 -5.760 1.00 . A A . 6 PHE HE1 1 1 17 5986 1 1 6 PHE HE2 H -5.107 1.788 -9.118 1.00 . A A . 6 PHE HE2 1 1 17 5987 1 1 6 PHE HZ H -3.611 3.474 -8.123 1.00 . A A . 6 PHE HZ 1 1 17 5988 1 1 6 PHE N N -5.823 0.225 -3.585 1.00 . A A . 6 PHE N 1 1 17 5989 1 1 6 PHE O O -7.155 -1.147 -6.557 1.00 . A A . 6 PHE O 1 1 17 5990 1 1 7 LEU C C -5.659 -4.562 -5.180 1.00 . A A . 7 LEU C 1 1 17 5991 1 1 7 LEU CA C -5.444 -3.222 -5.882 1.00 . A A . 7 LEU CA 1 1 17 5992 1 1 7 LEU CB C -3.977 -3.073 -6.298 1.00 . A A . 7 LEU CB 1 1 17 5993 1 1 7 LEU CD1 C -2.022 -1.546 -6.654 1.00 . A A . 7 LEU CD1 1 1 17 5994 1 1 7 LEU CD2 C -4.131 -1.195 -7.951 1.00 . A A . 7 LEU CD2 1 1 17 5995 1 1 7 LEU CG C -3.539 -1.644 -6.624 1.00 . A A . 7 LEU CG 1 1 17 5996 1 1 7 LEU H H -5.474 -2.074 -4.104 1.00 . A A . 7 LEU H 1 1 17 5997 1 1 7 LEU HA H -6.065 -3.188 -6.764 1.00 . A A . 7 LEU HA 1 1 17 5998 1 1 7 LEU HB2 H -3.358 -3.444 -5.496 1.00 . A A . 7 LEU HB2 1 1 17 5999 1 1 7 LEU HB3 H -3.809 -3.684 -7.172 1.00 . A A . 7 LEU HB3 1 1 17 6000 1 1 7 LEU HD11 H -1.639 -1.577 -5.645 1.00 . A A . 7 LEU HD11 1 1 17 6001 1 1 7 LEU HD12 H -1.730 -0.617 -7.122 1.00 . A A . 7 LEU HD12 1 1 17 6002 1 1 7 LEU HD13 H -1.618 -2.374 -7.218 1.00 . A A . 7 LEU HD13 1 1 17 6003 1 1 7 LEU HD21 H -3.733 -0.225 -8.214 1.00 . A A . 7 LEU HD21 1 1 17 6004 1 1 7 LEU HD22 H -5.206 -1.131 -7.863 1.00 . A A . 7 LEU HD22 1 1 17 6005 1 1 7 LEU HD23 H -3.874 -1.910 -8.720 1.00 . A A . 7 LEU HD23 1 1 17 6006 1 1 7 LEU HG H -3.901 -0.979 -5.853 1.00 . A A . 7 LEU HG 1 1 17 6007 1 1 7 LEU N N -5.834 -2.117 -5.016 1.00 . A A . 7 LEU N 1 1 17 6008 1 1 7 LEU O O -6.408 -4.649 -4.207 1.00 . A A . 7 LEU O 1 1 17 6009 1 1 8 LYS C C -3.753 -7.592 -4.945 1.00 . A A . 8 LYS C 1 1 17 6010 1 1 8 LYS CA C -5.121 -6.936 -5.093 1.00 . A A . 8 LYS CA 1 1 17 6011 1 1 8 LYS CB C -6.030 -7.812 -5.957 1.00 . A A . 8 LYS CB 1 1 17 6012 1 1 8 LYS CD C -8.136 -8.005 -7.314 1.00 . A A . 8 LYS CD 1 1 17 6013 1 1 8 LYS CE C -8.756 -7.217 -8.457 1.00 . A A . 8 LYS CE 1 1 17 6014 1 1 8 LYS CG C -7.300 -7.112 -6.412 1.00 . A A . 8 LYS CG 1 1 17 6015 1 1 8 LYS H H -4.416 -5.476 -6.454 1.00 . A A . 8 LYS H 1 1 17 6016 1 1 8 LYS HA H -5.565 -6.828 -4.114 1.00 . A A . 8 LYS HA 1 1 17 6017 1 1 8 LYS HB2 H -5.483 -8.123 -6.835 1.00 . A A . 8 LYS HB2 1 1 17 6018 1 1 8 LYS HB3 H -6.310 -8.688 -5.391 1.00 . A A . 8 LYS HB3 1 1 17 6019 1 1 8 LYS HD2 H -7.505 -8.779 -7.724 1.00 . A A . 8 LYS HD2 1 1 17 6020 1 1 8 LYS HD3 H -8.925 -8.454 -6.728 1.00 . A A . 8 LYS HD3 1 1 17 6021 1 1 8 LYS HE2 H -9.749 -6.907 -8.167 1.00 . A A . 8 LYS HE2 1 1 17 6022 1 1 8 LYS HE3 H -8.149 -6.344 -8.646 1.00 . A A . 8 LYS HE3 1 1 17 6023 1 1 8 LYS HG2 H -7.885 -6.847 -5.542 1.00 . A A . 8 LYS HG2 1 1 17 6024 1 1 8 LYS HG3 H -7.031 -6.217 -6.953 1.00 . A A . 8 LYS HG3 1 1 17 6025 1 1 8 LYS HZ1 H -9.108 -9.006 -9.477 1.00 . A A . 8 LYS HZ1 1 1 17 6026 1 1 8 LYS HZ2 H -7.929 -8.028 -10.195 1.00 . A A . 8 LYS HZ2 1 1 17 6027 1 1 8 LYS HZ3 H -9.564 -7.623 -10.340 1.00 . A A . 8 LYS HZ3 1 1 17 6028 1 1 8 LYS N N -4.999 -5.605 -5.677 1.00 . A A . 8 LYS N 1 1 17 6029 1 1 8 LYS NZ N -8.846 -8.025 -9.704 1.00 . A A . 8 LYS NZ 1 1 17 6030 1 1 8 LYS O O -3.434 -8.156 -3.899 1.00 . A A . 8 LYS O 1 1 17 6031 1 1 9 VAL C C -0.701 -7.353 -5.005 1.00 . A A . 9 VAL C 1 1 17 6032 1 1 9 VAL CA C -1.611 -8.095 -5.982 1.00 . A A . 9 VAL CA 1 1 17 6033 1 1 9 VAL CB C -0.971 -8.075 -7.385 1.00 . A A . 9 VAL CB 1 1 17 6034 1 1 9 VAL CG1 C -0.821 -6.647 -7.888 1.00 . A A . 9 VAL CG1 1 1 17 6035 1 1 9 VAL CG2 C 0.373 -8.789 -7.373 1.00 . A A . 9 VAL CG2 1 1 17 6036 1 1 9 VAL H H -3.254 -7.047 -6.804 1.00 . A A . 9 VAL H 1 1 17 6037 1 1 9 VAL HA H -1.700 -9.123 -5.664 1.00 . A A . 9 VAL HA 1 1 17 6038 1 1 9 VAL HB H -1.627 -8.603 -8.063 1.00 . A A . 9 VAL HB 1 1 17 6039 1 1 9 VAL HG11 H 0.145 -6.263 -7.596 1.00 . A A . 9 VAL HG11 1 1 17 6040 1 1 9 VAL HG12 H -1.599 -6.032 -7.460 1.00 . A A . 9 VAL HG12 1 1 17 6041 1 1 9 VAL HG13 H -0.904 -6.635 -8.965 1.00 . A A . 9 VAL HG13 1 1 17 6042 1 1 9 VAL HG21 H 1.166 -8.061 -7.291 1.00 . A A . 9 VAL HG21 1 1 17 6043 1 1 9 VAL HG22 H 0.491 -9.350 -8.288 1.00 . A A . 9 VAL HG22 1 1 17 6044 1 1 9 VAL HG23 H 0.414 -9.463 -6.530 1.00 . A A . 9 VAL HG23 1 1 17 6045 1 1 9 VAL N N -2.946 -7.511 -5.997 1.00 . A A . 9 VAL N 1 1 17 6046 1 1 9 VAL O O 0.223 -7.936 -4.438 1.00 . A A . 9 VAL O 1 1 17 6047 1 1 10 CYS C C -0.753 -5.281 -2.496 1.00 . A A . 10 CYS C 1 1 17 6048 1 1 10 CYS CA C -0.178 -5.243 -3.908 1.00 . A A . 10 CYS CA 1 1 17 6049 1 1 10 CYS CB C -0.124 -3.799 -4.410 1.00 . A A . 10 CYS CB 1 1 17 6050 1 1 10 CYS H H -1.720 -5.658 -5.297 1.00 . A A . 10 CYS H 1 1 17 6051 1 1 10 CYS HA H 0.824 -5.645 -3.886 1.00 . A A . 10 CYS HA 1 1 17 6052 1 1 10 CYS HB2 H 0.237 -3.794 -5.428 1.00 . A A . 10 CYS HB2 1 1 17 6053 1 1 10 CYS HB3 H -1.119 -3.379 -4.384 1.00 . A A . 10 CYS HB3 1 1 17 6054 1 1 10 CYS N N -0.970 -6.065 -4.815 1.00 . A A . 10 CYS N 1 1 17 6055 1 1 10 CYS O O -0.041 -5.555 -1.531 1.00 . A A . 10 CYS O 1 1 17 6056 1 1 10 CYS SG S 0.964 -2.712 -3.433 1.00 . A A . 10 CYS SG 1 1 17 6057 1 1 11 ALA C C -2.710 -6.393 -0.465 1.00 . A A . 11 ALA C 1 1 17 6058 1 1 11 ALA CA C -2.721 -5.002 -1.090 1.00 . A A . 11 ALA CA 1 1 17 6059 1 1 11 ALA CB C -4.148 -4.500 -1.238 1.00 . A A . 11 ALA CB 1 1 17 6060 1 1 11 ALA H H -2.564 -4.789 -3.189 1.00 . A A . 11 ALA H 1 1 17 6061 1 1 11 ALA HA H -2.191 -4.323 -0.438 1.00 . A A . 11 ALA HA 1 1 17 6062 1 1 11 ALA HB1 H -4.404 -3.887 -0.386 1.00 . A A . 11 ALA HB1 1 1 17 6063 1 1 11 ALA HB2 H -4.823 -5.341 -1.291 1.00 . A A . 11 ALA HB2 1 1 17 6064 1 1 11 ALA HB3 H -4.232 -3.913 -2.141 1.00 . A A . 11 ALA HB3 1 1 17 6065 1 1 11 ALA N N -2.049 -5.002 -2.383 1.00 . A A . 11 ALA N 1 1 17 6066 1 1 11 ALA O O -2.449 -6.547 0.728 1.00 . A A . 11 ALA O 1 1 17 6067 1 1 12 ALA C C -1.631 -9.423 -0.844 1.00 . A A . 12 ALA C 1 1 17 6068 1 1 12 ALA CA C -3.021 -8.786 -0.808 1.00 . A A . 12 ALA CA 1 1 17 6069 1 1 12 ALA CB C -3.995 -9.607 -1.640 1.00 . A A . 12 ALA CB 1 1 17 6070 1 1 12 ALA H H -3.195 -7.218 -2.220 1.00 . A A . 12 ALA H 1 1 17 6071 1 1 12 ALA HA H -3.375 -8.782 0.212 1.00 . A A . 12 ALA HA 1 1 17 6072 1 1 12 ALA HB1 H -4.516 -10.305 -1.000 1.00 . A A . 12 ALA HB1 1 1 17 6073 1 1 12 ALA HB2 H -3.453 -10.150 -2.399 1.00 . A A . 12 ALA HB2 1 1 17 6074 1 1 12 ALA HB3 H -4.710 -8.947 -2.110 1.00 . A A . 12 ALA HB3 1 1 17 6075 1 1 12 ALA N N -2.996 -7.406 -1.279 1.00 . A A . 12 ALA N 1 1 17 6076 1 1 12 ALA O O -1.495 -10.615 -1.119 1.00 . A A . 12 ALA O 1 1 17 6077 1 1 13 ALA C C 1.243 -9.474 0.843 1.00 . A A . 13 ALA C 1 1 17 6078 1 1 13 ALA CA C 0.769 -9.126 -0.567 1.00 . A A . 13 ALA CA 1 1 17 6079 1 1 13 ALA CB C 1.699 -8.101 -1.199 1.00 . A A . 13 ALA CB 1 1 17 6080 1 1 13 ALA H H -0.765 -7.687 -0.351 1.00 . A A . 13 ALA H 1 1 17 6081 1 1 13 ALA HA H 0.795 -10.020 -1.174 1.00 . A A . 13 ALA HA 1 1 17 6082 1 1 13 ALA HB1 H 2.169 -7.516 -0.424 1.00 . A A . 13 ALA HB1 1 1 17 6083 1 1 13 ALA HB2 H 1.131 -7.451 -1.847 1.00 . A A . 13 ALA HB2 1 1 17 6084 1 1 13 ALA HB3 H 2.457 -8.611 -1.776 1.00 . A A . 13 ALA HB3 1 1 17 6085 1 1 13 ALA N N -0.602 -8.628 -0.565 1.00 . A A . 13 ALA N 1 1 17 6086 1 1 13 ALA O O 2.377 -9.914 1.032 1.00 . A A . 13 ALA O 1 1 17 6087 1 1 14 ALA C C 1.936 -8.782 3.666 1.00 . A A . 14 ALA C 1 1 17 6088 1 1 14 ALA CA C 0.713 -9.573 3.217 1.00 . A A . 14 ALA CA 1 1 17 6089 1 1 14 ALA CB C 0.952 -11.065 3.394 1.00 . A A . 14 ALA CB 1 1 17 6090 1 1 14 ALA H H -0.517 -8.925 1.623 1.00 . A A . 14 ALA H 1 1 17 6091 1 1 14 ALA HA H -0.130 -9.294 3.833 1.00 . A A . 14 ALA HA 1 1 17 6092 1 1 14 ALA HB1 H 1.637 -11.226 4.213 1.00 . A A . 14 ALA HB1 1 1 17 6093 1 1 14 ALA HB2 H 1.375 -11.472 2.487 1.00 . A A . 14 ALA HB2 1 1 17 6094 1 1 14 ALA HB3 H 0.015 -11.558 3.606 1.00 . A A . 14 ALA HB3 1 1 17 6095 1 1 14 ALA N N 0.373 -9.277 1.831 1.00 . A A . 14 ALA N 1 1 17 6096 1 1 14 ALA O O 2.767 -9.282 4.425 1.00 . A A . 14 ALA O 1 1 17 6097 1 1 15 ASN C C 2.752 -5.217 3.531 1.00 . A A . 15 ASN C 1 1 17 6098 1 1 15 ASN CA C 3.166 -6.686 3.544 1.00 . A A . 15 ASN CA 1 1 17 6099 1 1 15 ASN CB C 4.329 -6.909 2.577 1.00 . A A . 15 ASN CB 1 1 17 6100 1 1 15 ASN CG C 5.675 -6.892 3.276 1.00 . A A . 15 ASN CG 1 1 17 6101 1 1 15 ASN H H 1.348 -7.203 2.590 1.00 . A A . 15 ASN H 1 1 17 6102 1 1 15 ASN HA H 3.483 -6.949 4.542 1.00 . A A . 15 ASN HA 1 1 17 6103 1 1 15 ASN HB2 H 4.208 -7.867 2.093 1.00 . A A . 15 ASN HB2 1 1 17 6104 1 1 15 ASN HB3 H 4.323 -6.129 1.828 1.00 . A A . 15 ASN HB3 1 1 17 6105 1 1 15 ASN HD21 H 6.158 -8.631 2.442 1.00 . A A . 15 ASN HD21 1 1 17 6106 1 1 15 ASN HD22 H 7.352 -7.940 3.482 1.00 . A A . 15 ASN HD22 1 1 17 6107 1 1 15 ASN N N 2.042 -7.546 3.191 1.00 . A A . 15 ASN N 1 1 17 6108 1 1 15 ASN ND2 N 6.475 -7.925 3.043 1.00 . A A . 15 ASN ND2 1 1 17 6109 1 1 15 ASN O O 2.503 -4.642 2.472 1.00 . A A . 15 ASN O 1 1 17 6110 1 1 15 ASN OD1 O 5.990 -5.961 4.017 1.00 . A A . 15 ASN OD1 1 1 17 6111 1 1 16 VAL C C 3.428 -2.295 4.395 1.00 . A A . 16 VAL C 1 1 17 6112 1 1 16 VAL CA C 2.297 -3.217 4.840 1.00 . A A . 16 VAL CA 1 1 17 6113 1 1 16 VAL CB C 1.906 -2.867 6.287 1.00 . A A . 16 VAL CB 1 1 17 6114 1 1 16 VAL CG1 C 1.318 -1.467 6.359 1.00 . A A . 16 VAL CG1 1 1 17 6115 1 1 16 VAL CG2 C 0.928 -3.894 6.839 1.00 . A A . 16 VAL CG2 1 1 17 6116 1 1 16 VAL H H 2.891 -5.130 5.524 1.00 . A A . 16 VAL H 1 1 17 6117 1 1 16 VAL HA H 1.439 -3.048 4.206 1.00 . A A . 16 VAL HA 1 1 17 6118 1 1 16 VAL HB H 2.798 -2.890 6.895 1.00 . A A . 16 VAL HB 1 1 17 6119 1 1 16 VAL HG11 H 0.240 -1.527 6.324 1.00 . A A . 16 VAL HG11 1 1 17 6120 1 1 16 VAL HG12 H 1.674 -0.884 5.523 1.00 . A A . 16 VAL HG12 1 1 17 6121 1 1 16 VAL HG13 H 1.621 -0.996 7.282 1.00 . A A . 16 VAL HG13 1 1 17 6122 1 1 16 VAL HG21 H 0.153 -4.081 6.110 1.00 . A A . 16 VAL HG21 1 1 17 6123 1 1 16 VAL HG22 H 0.483 -3.516 7.748 1.00 . A A . 16 VAL HG22 1 1 17 6124 1 1 16 VAL HG23 H 1.452 -4.813 7.051 1.00 . A A . 16 VAL HG23 1 1 17 6125 1 1 16 VAL N N 2.681 -4.618 4.715 1.00 . A A . 16 VAL N 1 1 17 6126 1 1 16 VAL O O 3.204 -1.329 3.665 1.00 . A A . 16 VAL O 1 1 17 6127 1 1 17 ALA C C 6.091 -1.874 2.989 1.00 . A A . 17 ALA C 1 1 17 6128 1 1 17 ALA CA C 5.808 -1.802 4.485 1.00 . A A . 17 ALA CA 1 1 17 6129 1 1 17 ALA CB C 7.024 -2.261 5.277 1.00 . A A . 17 ALA CB 1 1 17 6130 1 1 17 ALA H H 4.758 -3.385 5.417 1.00 . A A . 17 ALA H 1 1 17 6131 1 1 17 ALA HA H 5.601 -0.775 4.752 1.00 . A A . 17 ALA HA 1 1 17 6132 1 1 17 ALA HB1 H 6.921 -3.310 5.517 1.00 . A A . 17 ALA HB1 1 1 17 6133 1 1 17 ALA HB2 H 7.097 -1.689 6.190 1.00 . A A . 17 ALA HB2 1 1 17 6134 1 1 17 ALA HB3 H 7.916 -2.113 4.686 1.00 . A A . 17 ALA HB3 1 1 17 6135 1 1 17 ALA N N 4.643 -2.603 4.838 1.00 . A A . 17 ALA N 1 1 17 6136 1 1 17 ALA O O 6.316 -0.853 2.340 1.00 . A A . 17 ALA O 1 1 17 6137 1 1 18 ALA C C 5.329 -2.517 0.174 1.00 . A A . 18 ALA C 1 1 17 6138 1 1 18 ALA CA C 6.329 -3.292 1.025 1.00 . A A . 18 ALA CA 1 1 17 6139 1 1 18 ALA CB C 6.274 -4.775 0.687 1.00 . A A . 18 ALA CB 1 1 17 6140 1 1 18 ALA H H 5.890 -3.864 3.015 1.00 . A A . 18 ALA H 1 1 17 6141 1 1 18 ALA HA H 7.325 -2.935 0.808 1.00 . A A . 18 ALA HA 1 1 17 6142 1 1 18 ALA HB1 H 6.923 -4.977 -0.151 1.00 . A A . 18 ALA HB1 1 1 17 6143 1 1 18 ALA HB2 H 5.261 -5.049 0.433 1.00 . A A . 18 ALA HB2 1 1 17 6144 1 1 18 ALA HB3 H 6.599 -5.351 1.541 1.00 . A A . 18 ALA HB3 1 1 17 6145 1 1 18 ALA N N 6.076 -3.088 2.446 1.00 . A A . 18 ALA N 1 1 17 6146 1 1 18 ALA O O 5.648 -2.076 -0.930 1.00 . A A . 18 ALA O 1 1 17 6147 1 1 19 HIS C C 3.328 -0.120 0.036 1.00 . A A . 19 HIS C 1 1 17 6148 1 1 19 HIS CA C 3.071 -1.627 -0.012 1.00 . A A . 19 HIS CA 1 1 17 6149 1 1 19 HIS CB C 1.697 -1.960 0.591 1.00 . A A . 19 HIS CB 1 1 17 6150 1 1 19 HIS CD2 C 0.210 0.011 1.353 1.00 . A A . 19 HIS CD2 1 1 17 6151 1 1 19 HIS CE1 C -0.723 0.409 -0.570 1.00 . A A . 19 HIS CE1 1 1 17 6152 1 1 19 HIS CG C 0.680 -0.869 0.434 1.00 . A A . 19 HIS CG 1 1 17 6153 1 1 19 HIS H H 3.926 -2.726 1.583 1.00 . A A . 19 HIS H 1 1 17 6154 1 1 19 HIS HA H 3.089 -1.949 -1.042 1.00 . A A . 19 HIS HA 1 1 17 6155 1 1 19 HIS HB2 H 1.308 -2.844 0.110 1.00 . A A . 19 HIS HB2 1 1 17 6156 1 1 19 HIS HB3 H 1.815 -2.155 1.647 1.00 . A A . 19 HIS HB3 1 1 17 6157 1 1 19 HIS HD2 H 0.493 0.074 2.391 1.00 . A A . 19 HIS HD2 1 1 17 6158 1 1 19 HIS HE1 H -1.309 0.875 -1.346 1.00 . A A . 19 HIS HE1 1 1 17 6159 1 1 19 HIS HE2 H -1.053 1.662 1.050 1.00 . A A . 19 HIS HE2 1 1 17 6160 1 1 19 HIS N N 4.119 -2.352 0.698 1.00 . A A . 19 HIS N 1 1 17 6161 1 1 19 HIS ND1 N 0.082 -0.608 -0.773 1.00 . A A . 19 HIS ND1 1 1 17 6162 1 1 19 HIS NE2 N -0.686 0.822 0.705 1.00 . A A . 19 HIS NE2 1 1 17 6163 1 1 19 HIS O O 3.512 0.519 -0.998 1.00 . A A . 19 HIS O 1 1 17 6164 1 1 20 MET C C 4.737 2.373 0.612 1.00 . A A . 20 MET C 1 1 17 6165 1 1 20 MET CA C 3.551 1.871 1.435 1.00 . A A . 20 MET CA 1 1 17 6166 1 1 20 MET CB C 3.781 2.177 2.916 1.00 . A A . 20 MET CB 1 1 17 6167 1 1 20 MET CE C 5.283 5.764 4.414 1.00 . A A . 20 MET CE 1 1 17 6168 1 1 20 MET CG C 3.936 3.659 3.214 1.00 . A A . 20 MET CG 1 1 17 6169 1 1 20 MET H H 3.172 -0.127 2.029 1.00 . A A . 20 MET H 1 1 17 6170 1 1 20 MET HA H 2.661 2.386 1.106 1.00 . A A . 20 MET HA 1 1 17 6171 1 1 20 MET HB2 H 2.941 1.803 3.483 1.00 . A A . 20 MET HB2 1 1 17 6172 1 1 20 MET HB3 H 4.677 1.671 3.242 1.00 . A A . 20 MET HB3 1 1 17 6173 1 1 20 MET HE1 H 4.306 6.218 4.501 1.00 . A A . 20 MET HE1 1 1 17 6174 1 1 20 MET HE2 H 5.716 6.025 3.460 1.00 . A A . 20 MET HE2 1 1 17 6175 1 1 20 MET HE3 H 5.919 6.121 5.209 1.00 . A A . 20 MET HE3 1 1 17 6176 1 1 20 MET HG2 H 4.269 4.160 2.316 1.00 . A A . 20 MET HG2 1 1 17 6177 1 1 20 MET HG3 H 2.975 4.056 3.509 1.00 . A A . 20 MET HG3 1 1 17 6178 1 1 20 MET N N 3.330 0.437 1.244 1.00 . A A . 20 MET N 1 1 17 6179 1 1 20 MET O O 4.656 3.419 -0.032 1.00 . A A . 20 MET O 1 1 17 6180 1 1 20 MET SD S 5.125 3.983 4.529 1.00 . A A . 20 MET SD 1 1 17 6181 1 1 21 THR C C 6.724 2.171 -1.596 1.00 . A A . 21 THR C 1 1 17 6182 1 1 21 THR CA C 7.033 2.004 -0.109 1.00 . A A . 21 THR CA 1 1 17 6183 1 1 21 THR CB C 8.131 0.955 0.081 1.00 . A A . 21 THR CB 1 1 17 6184 1 1 21 THR CG2 C 7.767 -0.402 -0.480 1.00 . A A . 21 THR CG2 1 1 17 6185 1 1 21 THR H H 5.843 0.801 1.167 1.00 . A A . 21 THR H 1 1 17 6186 1 1 21 THR HA H 7.380 2.948 0.281 1.00 . A A . 21 THR HA 1 1 17 6187 1 1 21 THR HB H 8.321 0.836 1.138 1.00 . A A . 21 THR HB 1 1 17 6188 1 1 21 THR HG1 H 10.040 0.764 -0.309 1.00 . A A . 21 THR HG1 1 1 17 6189 1 1 21 THR HG21 H 7.070 -0.281 -1.294 1.00 . A A . 21 THR HG21 1 1 17 6190 1 1 21 THR HG22 H 7.314 -1.002 0.297 1.00 . A A . 21 THR HG22 1 1 17 6191 1 1 21 THR HG23 H 8.659 -0.894 -0.839 1.00 . A A . 21 THR HG23 1 1 17 6192 1 1 21 THR N N 5.836 1.626 0.636 1.00 . A A . 21 THR N 1 1 17 6193 1 1 21 THR O O 7.415 2.903 -2.305 1.00 . A A . 21 THR O 1 1 17 6194 1 1 21 THR OG1 O 9.332 1.370 -0.543 1.00 . A A . 21 THR OG1 1 1 17 6195 1 1 22 HIS C C 3.881 2.163 -3.595 1.00 . A A . 22 HIS C 1 1 17 6196 1 1 22 HIS CA C 5.278 1.553 -3.456 1.00 . A A . 22 HIS CA 1 1 17 6197 1 1 22 HIS CB C 5.327 0.141 -4.072 1.00 . A A . 22 HIS CB 1 1 17 6198 1 1 22 HIS CD2 C 2.793 -0.397 -4.393 1.00 . A A . 22 HIS CD2 1 1 17 6199 1 1 22 HIS CE1 C 2.860 -0.952 -6.514 1.00 . A A . 22 HIS CE1 1 1 17 6200 1 1 22 HIS CG C 4.084 -0.279 -4.808 1.00 . A A . 22 HIS CG 1 1 17 6201 1 1 22 HIS H H 5.175 0.923 -1.450 1.00 . A A . 22 HIS H 1 1 17 6202 1 1 22 HIS HA H 5.981 2.182 -3.966 1.00 . A A . 22 HIS HA 1 1 17 6203 1 1 22 HIS HB2 H 6.148 0.095 -4.771 1.00 . A A . 22 HIS HB2 1 1 17 6204 1 1 22 HIS HB3 H 5.501 -0.576 -3.283 1.00 . A A . 22 HIS HB3 1 1 17 6205 1 1 22 HIS HD1 H 4.872 -0.652 -6.725 1.00 . A A . 22 HIS HD1 1 1 17 6206 1 1 22 HIS HD2 H 2.410 -0.193 -3.396 1.00 . A A . 22 HIS HD2 1 1 17 6207 1 1 22 HIS HE1 H 2.564 -1.269 -7.503 1.00 . A A . 22 HIS HE1 1 1 17 6208 1 1 22 HIS HE2 H 1.085 -0.920 -5.496 1.00 . A A . 22 HIS HE2 1 1 17 6209 1 1 22 HIS N N 5.683 1.487 -2.060 1.00 . A A . 22 HIS N 1 1 17 6210 1 1 22 HIS ND1 N 4.087 -0.634 -6.140 1.00 . A A . 22 HIS ND1 1 1 17 6211 1 1 22 HIS NE2 N 2.059 -0.817 -5.474 1.00 . A A . 22 HIS NE2 1 1 17 6212 1 1 22 HIS O O 3.322 2.220 -4.691 1.00 . A A . 22 HIS O 1 1 17 6213 1 1 23 CYS C C 1.885 4.316 -1.473 1.00 . A A . 23 CYS C 1 1 17 6214 1 1 23 CYS CA C 1.984 3.167 -2.474 1.00 . A A . 23 CYS CA 1 1 17 6215 1 1 23 CYS CB C 0.992 2.069 -2.104 1.00 . A A . 23 CYS CB 1 1 17 6216 1 1 23 CYS H H 3.794 2.515 -1.635 1.00 . A A . 23 CYS H 1 1 17 6217 1 1 23 CYS HA H 1.762 3.532 -3.465 1.00 . A A . 23 CYS HA 1 1 17 6218 1 1 23 CYS HB2 H 1.511 1.319 -1.526 1.00 . A A . 23 CYS HB2 1 1 17 6219 1 1 23 CYS HB3 H 0.210 2.491 -1.498 1.00 . A A . 23 CYS HB3 1 1 17 6220 1 1 23 CYS N N 3.315 2.599 -2.479 1.00 . A A . 23 CYS N 1 1 17 6221 1 1 23 CYS O O 0.870 4.479 -0.797 1.00 . A A . 23 CYS O 1 1 17 6222 1 1 23 CYS SG S 0.218 1.219 -3.523 1.00 . A A . 23 CYS SG 1 1 17 6223 1 1 24 ALA C C 1.841 7.212 -0.747 1.00 . A A . 24 ALA C 1 1 17 6224 1 1 24 ALA CA C 2.983 6.241 -0.467 1.00 . A A . 24 ALA CA 1 1 17 6225 1 1 24 ALA CB C 4.322 6.957 -0.565 1.00 . A A . 24 ALA CB 1 1 17 6226 1 1 24 ALA H H 3.727 4.928 -1.951 1.00 . A A . 24 ALA H 1 1 17 6227 1 1 24 ALA HA H 2.879 5.859 0.538 1.00 . A A . 24 ALA HA 1 1 17 6228 1 1 24 ALA HB1 H 5.119 6.229 -0.578 1.00 . A A . 24 ALA HB1 1 1 17 6229 1 1 24 ALA HB2 H 4.445 7.610 0.286 1.00 . A A . 24 ALA HB2 1 1 17 6230 1 1 24 ALA HB3 H 4.353 7.541 -1.474 1.00 . A A . 24 ALA HB3 1 1 17 6231 1 1 24 ALA N N 2.948 5.109 -1.384 1.00 . A A . 24 ALA N 1 1 17 6232 1 1 24 ALA O O 1.207 7.155 -1.800 1.00 . A A . 24 ALA O 1 1 17 6233 1 1 25 LYS C C 1.056 10.505 0.251 1.00 . A A . 25 LYS C 1 1 17 6234 1 1 25 LYS CA C 0.518 9.090 0.061 1.00 . A A . 25 LYS CA 1 1 17 6235 1 1 25 LYS CB C -0.596 8.816 1.074 1.00 . A A . 25 LYS CB 1 1 17 6236 1 1 25 LYS CD C -1.629 10.921 1.979 1.00 . A A . 25 LYS CD 1 1 17 6237 1 1 25 LYS CE C -2.969 11.270 2.606 1.00 . A A . 25 LYS CE 1 1 17 6238 1 1 25 LYS CG C -1.762 9.787 0.975 1.00 . A A . 25 LYS CG 1 1 17 6239 1 1 25 LYS H H 2.125 8.101 1.022 1.00 . A A . 25 LYS H 1 1 17 6240 1 1 25 LYS HA H 0.116 9.001 -0.936 1.00 . A A . 25 LYS HA 1 1 17 6241 1 1 25 LYS HB2 H -0.974 7.817 0.914 1.00 . A A . 25 LYS HB2 1 1 17 6242 1 1 25 LYS HB3 H -0.185 8.881 2.070 1.00 . A A . 25 LYS HB3 1 1 17 6243 1 1 25 LYS HD2 H -0.946 10.620 2.760 1.00 . A A . 25 LYS HD2 1 1 17 6244 1 1 25 LYS HD3 H -1.239 11.792 1.474 1.00 . A A . 25 LYS HD3 1 1 17 6245 1 1 25 LYS HE2 H -3.350 10.400 3.119 1.00 . A A . 25 LYS HE2 1 1 17 6246 1 1 25 LYS HE3 H -2.822 12.070 3.317 1.00 . A A . 25 LYS HE3 1 1 17 6247 1 1 25 LYS HG2 H -1.787 10.203 -0.021 1.00 . A A . 25 LYS HG2 1 1 17 6248 1 1 25 LYS HG3 H -2.680 9.252 1.168 1.00 . A A . 25 LYS HG3 1 1 17 6249 1 1 25 LYS HZ1 H -4.928 11.509 1.921 1.00 . A A . 25 LYS HZ1 1 1 17 6250 1 1 25 LYS HZ2 H -3.807 11.192 0.694 1.00 . A A . 25 LYS HZ2 1 1 17 6251 1 1 25 LYS HZ3 H -3.870 12.725 1.407 1.00 . A A . 25 LYS HZ3 1 1 17 6252 1 1 25 LYS N N 1.584 8.105 0.204 1.00 . A A . 25 LYS N 1 1 17 6253 1 1 25 LYS NZ N -3.963 11.705 1.586 1.00 . A A . 25 LYS NZ 1 1 17 6254 1 1 25 LYS O O 0.335 11.463 -0.102 1.00 . A A . 25 LYS O 1 1 17 6255 1 1 25 LYS OXT O 2.192 10.643 0.750 1.00 . A A . 25 LYS OXT 1 1 17 6256 2 2 1 ZN ZN ZN -0.264 -0.901 -2.709 1.00 . B A . 26 ZN ZN 1 1 18 6257 1 1 1 ARG C C -2.517 -0.718 5.864 1.00 . A A . 1 ARG C 1 1 18 6258 1 1 1 ARG CA C -2.584 -0.606 7.384 1.00 . A A . 1 ARG CA 1 1 18 6259 1 1 1 ARG CB C -3.930 -0.017 7.811 1.00 . A A . 1 ARG CB 1 1 18 6260 1 1 1 ARG CD C -5.032 -1.277 9.685 1.00 . A A . 1 ARG CD 1 1 18 6261 1 1 1 ARG CG C -4.963 -1.069 8.180 1.00 . A A . 1 ARG CG 1 1 18 6262 1 1 1 ARG CZ C -4.848 -3.717 9.982 1.00 . A A . 1 ARG CZ 1 1 18 6263 1 1 1 ARG H1 H -0.609 -0.030 7.456 1.00 . A A . 1 ARG H1 1 1 18 6264 1 1 1 ARG H2 H -1.458 0.137 8.937 1.00 . A A . 1 ARG H2 1 1 18 6265 1 1 1 ARG H3 H -1.734 1.248 7.658 1.00 . A A . 1 ARG H3 1 1 18 6266 1 1 1 ARG HA H -2.472 -1.589 7.815 1.00 . A A . 1 ARG HA 1 1 18 6267 1 1 1 ARG HB2 H -3.774 0.621 8.668 1.00 . A A . 1 ARG HB2 1 1 18 6268 1 1 1 ARG HB3 H -4.325 0.575 6.999 1.00 . A A . 1 ARG HB3 1 1 18 6269 1 1 1 ARG HD2 H -4.038 -1.181 10.096 1.00 . A A . 1 ARG HD2 1 1 18 6270 1 1 1 ARG HD3 H -5.672 -0.519 10.112 1.00 . A A . 1 ARG HD3 1 1 18 6271 1 1 1 ARG HE H -6.499 -2.645 10.316 1.00 . A A . 1 ARG HE 1 1 18 6272 1 1 1 ARG HG2 H -5.931 -0.748 7.827 1.00 . A A . 1 ARG HG2 1 1 18 6273 1 1 1 ARG HG3 H -4.697 -2.003 7.709 1.00 . A A . 1 ARG HG3 1 1 18 6274 1 1 1 ARG HH11 H -3.149 -2.819 9.352 1.00 . A A . 1 ARG HH11 1 1 18 6275 1 1 1 ARG HH12 H -3.046 -4.534 9.569 1.00 . A A . 1 ARG HH12 1 1 18 6276 1 1 1 ARG HH21 H -6.364 -4.901 10.602 1.00 . A A . 1 ARG HH21 1 1 18 6277 1 1 1 ARG HH22 H -4.871 -5.716 10.278 1.00 . A A . 1 ARG HH22 1 1 18 6278 1 1 1 ARG N N -1.499 0.266 7.906 1.00 . A A . 1 ARG N 1 1 18 6279 1 1 1 ARG NE N -5.562 -2.595 10.032 1.00 . A A . 1 ARG NE 1 1 18 6280 1 1 1 ARG NH1 N -3.577 -3.687 9.603 1.00 . A A . 1 ARG NH1 1 1 18 6281 1 1 1 ARG NH2 N -5.407 -4.872 10.314 1.00 . A A . 1 ARG NH2 1 1 18 6282 1 1 1 ARG O O -2.574 0.287 5.154 1.00 . A A . 1 ARG O 1 1 18 6283 1 1 2 VAL C C -3.697 -2.516 3.362 1.00 . A A . 2 VAL C 1 1 18 6284 1 1 2 VAL CA C -2.320 -2.188 3.935 1.00 . A A . 2 VAL CA 1 1 18 6285 1 1 2 VAL CB C -1.343 -3.337 3.612 1.00 . A A . 2 VAL CB 1 1 18 6286 1 1 2 VAL CG1 C -1.820 -4.643 4.232 1.00 . A A . 2 VAL CG1 1 1 18 6287 1 1 2 VAL CG2 C -1.165 -3.482 2.105 1.00 . A A . 2 VAL CG2 1 1 18 6288 1 1 2 VAL H H -2.354 -2.706 5.987 1.00 . A A . 2 VAL H 1 1 18 6289 1 1 2 VAL HA H -1.953 -1.288 3.465 1.00 . A A . 2 VAL HA 1 1 18 6290 1 1 2 VAL HB H -0.382 -3.094 4.042 1.00 . A A . 2 VAL HB 1 1 18 6291 1 1 2 VAL HG11 H -2.860 -4.553 4.509 1.00 . A A . 2 VAL HG11 1 1 18 6292 1 1 2 VAL HG12 H -1.231 -4.859 5.111 1.00 . A A . 2 VAL HG12 1 1 18 6293 1 1 2 VAL HG13 H -1.706 -5.445 3.518 1.00 . A A . 2 VAL HG13 1 1 18 6294 1 1 2 VAL HG21 H -1.265 -4.522 1.828 1.00 . A A . 2 VAL HG21 1 1 18 6295 1 1 2 VAL HG22 H -0.184 -3.128 1.824 1.00 . A A . 2 VAL HG22 1 1 18 6296 1 1 2 VAL HG23 H -1.917 -2.900 1.595 1.00 . A A . 2 VAL HG23 1 1 18 6297 1 1 2 VAL N N -2.395 -1.946 5.371 1.00 . A A . 2 VAL N 1 1 18 6298 1 1 2 VAL O O -3.850 -3.451 2.576 1.00 . A A . 2 VAL O 1 1 18 6299 1 1 3 ILE C C -6.510 -0.799 2.386 1.00 . A A . 3 ILE C 1 1 18 6300 1 1 3 ILE CA C -6.063 -1.944 3.291 1.00 . A A . 3 ILE CA 1 1 18 6301 1 1 3 ILE CB C -7.050 -2.075 4.469 1.00 . A A . 3 ILE CB 1 1 18 6302 1 1 3 ILE CD1 C -9.330 -3.089 4.978 1.00 . A A . 3 ILE CD1 1 1 18 6303 1 1 3 ILE CG1 C -8.456 -2.395 3.956 1.00 . A A . 3 ILE CG1 1 1 18 6304 1 1 3 ILE CG2 C -7.060 -0.802 5.302 1.00 . A A . 3 ILE CG2 1 1 18 6305 1 1 3 ILE H H -4.514 -1.010 4.392 1.00 . A A . 3 ILE H 1 1 18 6306 1 1 3 ILE HA H -6.084 -2.864 2.726 1.00 . A A . 3 ILE HA 1 1 18 6307 1 1 3 ILE HB H -6.714 -2.885 5.100 1.00 . A A . 3 ILE HB 1 1 18 6308 1 1 3 ILE HD11 H -9.595 -2.391 5.758 1.00 . A A . 3 ILE HD11 1 1 18 6309 1 1 3 ILE HD12 H -8.791 -3.920 5.406 1.00 . A A . 3 ILE HD12 1 1 18 6310 1 1 3 ILE HD13 H -10.229 -3.448 4.498 1.00 . A A . 3 ILE HD13 1 1 18 6311 1 1 3 ILE HG12 H -8.946 -1.476 3.671 1.00 . A A . 3 ILE HG12 1 1 18 6312 1 1 3 ILE HG13 H -8.379 -3.039 3.092 1.00 . A A . 3 ILE HG13 1 1 18 6313 1 1 3 ILE HG21 H -7.322 0.037 4.674 1.00 . A A . 3 ILE HG21 1 1 18 6314 1 1 3 ILE HG22 H -6.080 -0.641 5.725 1.00 . A A . 3 ILE HG22 1 1 18 6315 1 1 3 ILE HG23 H -7.785 -0.897 6.097 1.00 . A A . 3 ILE HG23 1 1 18 6316 1 1 3 ILE N N -4.699 -1.739 3.763 1.00 . A A . 3 ILE N 1 1 18 6317 1 1 3 ILE O O -7.331 -0.989 1.489 1.00 . A A . 3 ILE O 1 1 18 6318 1 1 4 ALA C C -6.007 1.339 0.356 1.00 . A A . 4 ALA C 1 1 18 6319 1 1 4 ALA CA C -6.308 1.564 1.835 1.00 . A A . 4 ALA CA 1 1 18 6320 1 1 4 ALA CB C -5.556 2.783 2.348 1.00 . A A . 4 ALA CB 1 1 18 6321 1 1 4 ALA H H -5.316 0.478 3.356 1.00 . A A . 4 ALA H 1 1 18 6322 1 1 4 ALA HA H -7.366 1.746 1.952 1.00 . A A . 4 ALA HA 1 1 18 6323 1 1 4 ALA HB1 H -4.640 2.904 1.790 1.00 . A A . 4 ALA HB1 1 1 18 6324 1 1 4 ALA HB2 H -5.326 2.649 3.395 1.00 . A A . 4 ALA HB2 1 1 18 6325 1 1 4 ALA HB3 H -6.171 3.663 2.225 1.00 . A A . 4 ALA HB3 1 1 18 6326 1 1 4 ALA N N -5.964 0.389 2.627 1.00 . A A . 4 ALA N 1 1 18 6327 1 1 4 ALA O O -6.655 1.921 -0.514 1.00 . A A . 4 ALA O 1 1 18 6328 1 1 5 CYS C C -5.808 -0.376 -2.082 1.00 . A A . 5 CYS C 1 1 18 6329 1 1 5 CYS CA C -4.633 0.196 -1.297 1.00 . A A . 5 CYS CA 1 1 18 6330 1 1 5 CYS CB C -3.463 -0.790 -1.319 1.00 . A A . 5 CYS CB 1 1 18 6331 1 1 5 CYS H H -4.537 0.062 0.813 1.00 . A A . 5 CYS H 1 1 18 6332 1 1 5 CYS HA H -4.320 1.119 -1.761 1.00 . A A . 5 CYS HA 1 1 18 6333 1 1 5 CYS HB2 H -2.735 -0.491 -0.581 1.00 . A A . 5 CYS HB2 1 1 18 6334 1 1 5 CYS HB3 H -3.830 -1.777 -1.075 1.00 . A A . 5 CYS HB3 1 1 18 6335 1 1 5 CYS N N -5.018 0.495 0.077 1.00 . A A . 5 CYS N 1 1 18 6336 1 1 5 CYS O O -6.772 -0.876 -1.501 1.00 . A A . 5 CYS O 1 1 18 6337 1 1 5 CYS SG S -2.613 -0.896 -2.928 1.00 . A A . 5 CYS SG 1 1 18 6338 1 1 6 PHE C C -6.196 -1.658 -5.398 1.00 . A A . 6 PHE C 1 1 18 6339 1 1 6 PHE CA C -6.779 -0.809 -4.273 1.00 . A A . 6 PHE CA 1 1 18 6340 1 1 6 PHE CB C -7.591 0.348 -4.860 1.00 . A A . 6 PHE CB 1 1 18 6341 1 1 6 PHE CD1 C -5.793 1.335 -6.308 1.00 . A A . 6 PHE CD1 1 1 18 6342 1 1 6 PHE CD2 C -6.911 2.762 -4.759 1.00 . A A . 6 PHE CD2 1 1 18 6343 1 1 6 PHE CE1 C -5.016 2.397 -6.730 1.00 . A A . 6 PHE CE1 1 1 18 6344 1 1 6 PHE CE2 C -6.138 3.828 -5.177 1.00 . A A . 6 PHE CE2 1 1 18 6345 1 1 6 PHE CG C -6.748 1.505 -5.318 1.00 . A A . 6 PHE CG 1 1 18 6346 1 1 6 PHE CZ C -5.189 3.645 -6.164 1.00 . A A . 6 PHE CZ 1 1 18 6347 1 1 6 PHE H H -4.930 0.112 -3.810 1.00 . A A . 6 PHE H 1 1 18 6348 1 1 6 PHE HA H -7.430 -1.426 -3.673 1.00 . A A . 6 PHE HA 1 1 18 6349 1 1 6 PHE HB2 H -8.153 -0.010 -5.710 1.00 . A A . 6 PHE HB2 1 1 18 6350 1 1 6 PHE HB3 H -8.278 0.713 -4.110 1.00 . A A . 6 PHE HB3 1 1 18 6351 1 1 6 PHE HD1 H -5.658 0.360 -6.752 1.00 . A A . 6 PHE HD1 1 1 18 6352 1 1 6 PHE HD2 H -7.653 2.906 -3.986 1.00 . A A . 6 PHE HD2 1 1 18 6353 1 1 6 PHE HE1 H -4.275 2.251 -7.502 1.00 . A A . 6 PHE HE1 1 1 18 6354 1 1 6 PHE HE2 H -6.275 4.803 -4.733 1.00 . A A . 6 PHE HE2 1 1 18 6355 1 1 6 PHE HZ H -4.583 4.477 -6.494 1.00 . A A . 6 PHE HZ 1 1 18 6356 1 1 6 PHE N N -5.722 -0.298 -3.406 1.00 . A A . 6 PHE N 1 1 18 6357 1 1 6 PHE O O -6.713 -1.665 -6.515 1.00 . A A . 6 PHE O 1 1 18 6358 1 1 7 LEU C C -4.452 -4.678 -5.624 1.00 . A A . 7 LEU C 1 1 18 6359 1 1 7 LEU CA C -4.462 -3.223 -6.082 1.00 . A A . 7 LEU CA 1 1 18 6360 1 1 7 LEU CB C -3.030 -2.746 -6.331 1.00 . A A . 7 LEU CB 1 1 18 6361 1 1 7 LEU CD1 C -1.659 -0.706 -6.820 1.00 . A A . 7 LEU CD1 1 1 18 6362 1 1 7 LEU CD2 C -2.890 -1.855 -8.669 1.00 . A A . 7 LEU CD2 1 1 18 6363 1 1 7 LEU CG C -2.908 -1.488 -7.193 1.00 . A A . 7 LEU CG 1 1 18 6364 1 1 7 LEU H H -4.751 -2.323 -4.188 1.00 . A A . 7 LEU H 1 1 18 6365 1 1 7 LEU HA H -5.021 -3.153 -7.004 1.00 . A A . 7 LEU HA 1 1 18 6366 1 1 7 LEU HB2 H -2.568 -2.548 -5.374 1.00 . A A . 7 LEU HB2 1 1 18 6367 1 1 7 LEU HB3 H -2.486 -3.541 -6.817 1.00 . A A . 7 LEU HB3 1 1 18 6368 1 1 7 LEU HD11 H -1.790 -0.257 -5.847 1.00 . A A . 7 LEU HD11 1 1 18 6369 1 1 7 LEU HD12 H -1.486 0.069 -7.552 1.00 . A A . 7 LEU HD12 1 1 18 6370 1 1 7 LEU HD13 H -0.809 -1.373 -6.796 1.00 . A A . 7 LEU HD13 1 1 18 6371 1 1 7 LEU HD21 H -1.868 -1.906 -9.014 1.00 . A A . 7 LEU HD21 1 1 18 6372 1 1 7 LEU HD22 H -3.422 -1.104 -9.233 1.00 . A A . 7 LEU HD22 1 1 18 6373 1 1 7 LEU HD23 H -3.364 -2.814 -8.807 1.00 . A A . 7 LEU HD23 1 1 18 6374 1 1 7 LEU HG H -3.764 -0.853 -7.015 1.00 . A A . 7 LEU HG 1 1 18 6375 1 1 7 LEU N N -5.116 -2.371 -5.095 1.00 . A A . 7 LEU N 1 1 18 6376 1 1 7 LEU O O -4.392 -4.963 -4.428 1.00 . A A . 7 LEU O 1 1 18 6377 1 1 8 LYS C C -3.169 -7.448 -5.684 1.00 . A A . 8 LYS C 1 1 18 6378 1 1 8 LYS CA C -4.506 -7.022 -6.280 1.00 . A A . 8 LYS CA 1 1 18 6379 1 1 8 LYS CB C -4.795 -7.835 -7.544 1.00 . A A . 8 LYS CB 1 1 18 6380 1 1 8 LYS CD C -6.508 -8.888 -9.051 1.00 . A A . 8 LYS CD 1 1 18 6381 1 1 8 LYS CE C -6.647 -7.977 -10.261 1.00 . A A . 8 LYS CE 1 1 18 6382 1 1 8 LYS CG C -6.275 -8.092 -7.777 1.00 . A A . 8 LYS CG 1 1 18 6383 1 1 8 LYS H H -4.556 -5.307 -7.519 1.00 . A A . 8 LYS H 1 1 18 6384 1 1 8 LYS HA H -5.285 -7.208 -5.557 1.00 . A A . 8 LYS HA 1 1 18 6385 1 1 8 LYS HB2 H -4.406 -7.301 -8.399 1.00 . A A . 8 LYS HB2 1 1 18 6386 1 1 8 LYS HB3 H -4.294 -8.788 -7.467 1.00 . A A . 8 LYS HB3 1 1 18 6387 1 1 8 LYS HD2 H -5.670 -9.551 -9.208 1.00 . A A . 8 LYS HD2 1 1 18 6388 1 1 8 LYS HD3 H -7.413 -9.468 -8.942 1.00 . A A . 8 LYS HD3 1 1 18 6389 1 1 8 LYS HE2 H -6.059 -7.086 -10.094 1.00 . A A . 8 LYS HE2 1 1 18 6390 1 1 8 LYS HE3 H -6.275 -8.496 -11.131 1.00 . A A . 8 LYS HE3 1 1 18 6391 1 1 8 LYS HG2 H -6.671 -8.647 -6.941 1.00 . A A . 8 LYS HG2 1 1 18 6392 1 1 8 LYS HG3 H -6.787 -7.143 -7.857 1.00 . A A . 8 LYS HG3 1 1 18 6393 1 1 8 LYS HZ1 H -8.153 -7.115 -11.423 1.00 . A A . 8 LYS HZ1 1 1 18 6394 1 1 8 LYS HZ2 H -8.382 -6.928 -9.758 1.00 . A A . 8 LYS HZ2 1 1 18 6395 1 1 8 LYS HZ3 H -8.674 -8.426 -10.488 1.00 . A A . 8 LYS HZ3 1 1 18 6396 1 1 8 LYS N N -4.510 -5.596 -6.585 1.00 . A A . 8 LYS N 1 1 18 6397 1 1 8 LYS NZ N -8.064 -7.584 -10.499 1.00 . A A . 8 LYS NZ 1 1 18 6398 1 1 8 LYS O O -3.107 -7.927 -4.552 1.00 . A A . 8 LYS O 1 1 18 6399 1 1 9 VAL C C -0.122 -6.497 -5.210 1.00 . A A . 9 VAL C 1 1 18 6400 1 1 9 VAL CA C -0.764 -7.634 -6.002 1.00 . A A . 9 VAL CA 1 1 18 6401 1 1 9 VAL CB C 0.146 -8.008 -7.190 1.00 . A A . 9 VAL CB 1 1 18 6402 1 1 9 VAL CG1 C 0.314 -6.826 -8.134 1.00 . A A . 9 VAL CG1 1 1 18 6403 1 1 9 VAL CG2 C 1.498 -8.505 -6.697 1.00 . A A . 9 VAL CG2 1 1 18 6404 1 1 9 VAL H H -2.214 -6.882 -7.347 1.00 . A A . 9 VAL H 1 1 18 6405 1 1 9 VAL HA H -0.855 -8.500 -5.361 1.00 . A A . 9 VAL HA 1 1 18 6406 1 1 9 VAL HB H -0.327 -8.810 -7.740 1.00 . A A . 9 VAL HB 1 1 18 6407 1 1 9 VAL HG11 H 0.059 -5.913 -7.617 1.00 . A A . 9 VAL HG11 1 1 18 6408 1 1 9 VAL HG12 H -0.338 -6.949 -8.986 1.00 . A A . 9 VAL HG12 1 1 18 6409 1 1 9 VAL HG13 H 1.339 -6.774 -8.470 1.00 . A A . 9 VAL HG13 1 1 18 6410 1 1 9 VAL HG21 H 2.280 -8.111 -7.329 1.00 . A A . 9 VAL HG21 1 1 18 6411 1 1 9 VAL HG22 H 1.518 -9.585 -6.729 1.00 . A A . 9 VAL HG22 1 1 18 6412 1 1 9 VAL HG23 H 1.654 -8.174 -5.681 1.00 . A A . 9 VAL HG23 1 1 18 6413 1 1 9 VAL N N -2.100 -7.269 -6.454 1.00 . A A . 9 VAL N 1 1 18 6414 1 1 9 VAL O O 0.969 -6.033 -5.540 1.00 . A A . 9 VAL O 1 1 18 6415 1 1 10 CYS C C -1.007 -4.974 -1.965 1.00 . A A . 10 CYS C 1 1 18 6416 1 1 10 CYS CA C -0.310 -4.974 -3.321 1.00 . A A . 10 CYS CA 1 1 18 6417 1 1 10 CYS CB C -0.516 -3.624 -4.013 1.00 . A A . 10 CYS CB 1 1 18 6418 1 1 10 CYS H H -1.674 -6.464 -3.949 1.00 . A A . 10 CYS H 1 1 18 6419 1 1 10 CYS HA H 0.747 -5.132 -3.170 1.00 . A A . 10 CYS HA 1 1 18 6420 1 1 10 CYS HB2 H -0.482 -3.766 -5.082 1.00 . A A . 10 CYS HB2 1 1 18 6421 1 1 10 CYS HB3 H -1.484 -3.230 -3.736 1.00 . A A . 10 CYS HB3 1 1 18 6422 1 1 10 CYS N N -0.809 -6.055 -4.162 1.00 . A A . 10 CYS N 1 1 18 6423 1 1 10 CYS O O -0.362 -5.111 -0.925 1.00 . A A . 10 CYS O 1 1 18 6424 1 1 10 CYS SG S 0.736 -2.371 -3.583 1.00 . A A . 10 CYS SG 1 1 18 6425 1 1 11 ALA C C -3.257 -6.208 -0.179 1.00 . A A . 11 ALA C 1 1 18 6426 1 1 11 ALA CA C -3.111 -4.804 -0.756 1.00 . A A . 11 ALA CA 1 1 18 6427 1 1 11 ALA CB C -4.481 -4.192 -1.013 1.00 . A A . 11 ALA CB 1 1 18 6428 1 1 11 ALA H H -2.784 -4.716 -2.845 1.00 . A A . 11 ALA H 1 1 18 6429 1 1 11 ALA HA H -2.596 -4.182 -0.038 1.00 . A A . 11 ALA HA 1 1 18 6430 1 1 11 ALA HB1 H -4.426 -3.532 -1.866 1.00 . A A . 11 ALA HB1 1 1 18 6431 1 1 11 ALA HB2 H -4.794 -3.633 -0.144 1.00 . A A . 11 ALA HB2 1 1 18 6432 1 1 11 ALA HB3 H -5.194 -4.979 -1.212 1.00 . A A . 11 ALA HB3 1 1 18 6433 1 1 11 ALA N N -2.326 -4.820 -1.984 1.00 . A A . 11 ALA N 1 1 18 6434 1 1 11 ALA O O -3.104 -6.414 1.025 1.00 . A A . 11 ALA O 1 1 18 6435 1 1 12 ALA C C -2.385 -9.300 -0.577 1.00 . A A . 12 ALA C 1 1 18 6436 1 1 12 ALA CA C -3.720 -8.559 -0.626 1.00 . A A . 12 ALA CA 1 1 18 6437 1 1 12 ALA CB C -4.686 -9.276 -1.558 1.00 . A A . 12 ALA CB 1 1 18 6438 1 1 12 ALA H H -3.663 -6.943 -1.993 1.00 . A A . 12 ALA H 1 1 18 6439 1 1 12 ALA HA H -4.152 -8.556 0.363 1.00 . A A . 12 ALA HA 1 1 18 6440 1 1 12 ALA HB1 H -4.938 -10.240 -1.142 1.00 . A A . 12 ALA HB1 1 1 18 6441 1 1 12 ALA HB2 H -4.222 -9.411 -2.523 1.00 . A A . 12 ALA HB2 1 1 18 6442 1 1 12 ALA HB3 H -5.584 -8.686 -1.669 1.00 . A A . 12 ALA HB3 1 1 18 6443 1 1 12 ALA N N -3.553 -7.171 -1.047 1.00 . A A . 12 ALA N 1 1 18 6444 1 1 12 ALA O O -2.318 -10.491 -0.883 1.00 . A A . 12 ALA O 1 1 18 6445 1 1 13 ALA C C 0.427 -9.430 1.341 1.00 . A A . 13 ALA C 1 1 18 6446 1 1 13 ALA CA C 0.003 -9.200 -0.111 1.00 . A A . 13 ALA CA 1 1 18 6447 1 1 13 ALA CB C 1.024 -8.329 -0.825 1.00 . A A . 13 ALA CB 1 1 18 6448 1 1 13 ALA H H -1.430 -7.653 0.038 1.00 . A A . 13 ALA H 1 1 18 6449 1 1 13 ALA HA H -0.036 -10.154 -0.616 1.00 . A A . 13 ALA HA 1 1 18 6450 1 1 13 ALA HB1 H 1.395 -7.577 -0.145 1.00 . A A . 13 ALA HB1 1 1 18 6451 1 1 13 ALA HB2 H 0.556 -7.848 -1.673 1.00 . A A . 13 ALA HB2 1 1 18 6452 1 1 13 ALA HB3 H 1.844 -8.943 -1.168 1.00 . A A . 13 ALA HB3 1 1 18 6453 1 1 13 ALA N N -1.322 -8.596 -0.194 1.00 . A A . 13 ALA N 1 1 18 6454 1 1 13 ALA O O 1.519 -9.933 1.602 1.00 . A A . 13 ALA O 1 1 18 6455 1 1 14 ALA C C 1.123 -8.480 4.092 1.00 . A A . 14 ALA C 1 1 18 6456 1 1 14 ALA CA C -0.145 -9.231 3.700 1.00 . A A . 14 ALA CA 1 1 18 6457 1 1 14 ALA CB C -0.010 -10.708 4.036 1.00 . A A . 14 ALA CB 1 1 18 6458 1 1 14 ALA H H -1.296 -8.664 2.017 1.00 . A A . 14 ALA H 1 1 18 6459 1 1 14 ALA HA H -0.976 -8.832 4.262 1.00 . A A . 14 ALA HA 1 1 18 6460 1 1 14 ALA HB1 H -0.454 -10.898 5.002 1.00 . A A . 14 ALA HB1 1 1 18 6461 1 1 14 ALA HB2 H 1.035 -10.978 4.060 1.00 . A A . 14 ALA HB2 1 1 18 6462 1 1 14 ALA HB3 H -0.517 -11.296 3.285 1.00 . A A . 14 ALA HB3 1 1 18 6463 1 1 14 ALA N N -0.440 -9.060 2.282 1.00 . A A . 14 ALA N 1 1 18 6464 1 1 14 ALA O O 1.837 -8.884 5.010 1.00 . A A . 14 ALA O 1 1 18 6465 1 1 15 ASN C C 2.216 -5.101 3.785 1.00 . A A . 15 ASN C 1 1 18 6466 1 1 15 ASN CA C 2.581 -6.577 3.668 1.00 . A A . 15 ASN CA 1 1 18 6467 1 1 15 ASN CB C 3.627 -6.773 2.567 1.00 . A A . 15 ASN CB 1 1 18 6468 1 1 15 ASN CG C 4.798 -7.619 3.028 1.00 . A A . 15 ASN CG 1 1 18 6469 1 1 15 ASN H H 0.792 -7.112 2.671 1.00 . A A . 15 ASN H 1 1 18 6470 1 1 15 ASN HA H 2.996 -6.909 4.608 1.00 . A A . 15 ASN HA 1 1 18 6471 1 1 15 ASN HB2 H 3.165 -7.262 1.723 1.00 . A A . 15 ASN HB2 1 1 18 6472 1 1 15 ASN HB3 H 4.002 -5.809 2.257 1.00 . A A . 15 ASN HB3 1 1 18 6473 1 1 15 ASN HD21 H 4.710 -8.695 1.357 1.00 . A A . 15 ASN HD21 1 1 18 6474 1 1 15 ASN HD22 H 5.946 -9.146 2.476 1.00 . A A . 15 ASN HD22 1 1 18 6475 1 1 15 ASN N N 1.399 -7.385 3.391 1.00 . A A . 15 ASN N 1 1 18 6476 1 1 15 ASN ND2 N 5.191 -8.584 2.203 1.00 . A A . 15 ASN ND2 1 1 18 6477 1 1 15 ASN O O 1.209 -4.655 3.236 1.00 . A A . 15 ASN O 1 1 18 6478 1 1 15 ASN OD1 O 5.344 -7.408 4.110 1.00 . A A . 15 ASN OD1 1 1 18 6479 1 1 16 VAL C C 3.944 -2.095 4.110 1.00 . A A . 16 VAL C 1 1 18 6480 1 1 16 VAL CA C 2.804 -2.922 4.697 1.00 . A A . 16 VAL CA 1 1 18 6481 1 1 16 VAL CB C 2.647 -2.571 6.189 1.00 . A A . 16 VAL CB 1 1 18 6482 1 1 16 VAL CG1 C 2.241 -1.114 6.356 1.00 . A A . 16 VAL CG1 1 1 18 6483 1 1 16 VAL CG2 C 1.633 -3.492 6.852 1.00 . A A . 16 VAL CG2 1 1 18 6484 1 1 16 VAL H H 3.827 -4.761 4.921 1.00 . A A . 16 VAL H 1 1 18 6485 1 1 16 VAL HA H 1.886 -2.665 4.188 1.00 . A A . 16 VAL HA 1 1 18 6486 1 1 16 VAL HB H 3.601 -2.713 6.674 1.00 . A A . 16 VAL HB 1 1 18 6487 1 1 16 VAL HG11 H 1.194 -1.002 6.115 1.00 . A A . 16 VAL HG11 1 1 18 6488 1 1 16 VAL HG12 H 2.830 -0.498 5.694 1.00 . A A . 16 VAL HG12 1 1 18 6489 1 1 16 VAL HG13 H 2.410 -0.808 7.378 1.00 . A A . 16 VAL HG13 1 1 18 6490 1 1 16 VAL HG21 H 0.684 -2.983 6.934 1.00 . A A . 16 VAL HG21 1 1 18 6491 1 1 16 VAL HG22 H 1.983 -3.762 7.837 1.00 . A A . 16 VAL HG22 1 1 18 6492 1 1 16 VAL HG23 H 1.512 -4.384 6.255 1.00 . A A . 16 VAL HG23 1 1 18 6493 1 1 16 VAL N N 3.040 -4.348 4.506 1.00 . A A . 16 VAL N 1 1 18 6494 1 1 16 VAL O O 3.713 -1.136 3.373 1.00 . A A . 16 VAL O 1 1 18 6495 1 1 17 ALA C C 6.464 -1.888 2.431 1.00 . A A . 17 ALA C 1 1 18 6496 1 1 17 ALA CA C 6.349 -1.767 3.947 1.00 . A A . 17 ALA CA 1 1 18 6497 1 1 17 ALA CB C 7.606 -2.300 4.619 1.00 . A A . 17 ALA CB 1 1 18 6498 1 1 17 ALA H H 5.294 -3.246 5.032 1.00 . A A . 17 ALA H 1 1 18 6499 1 1 17 ALA HA H 6.244 -0.724 4.208 1.00 . A A . 17 ALA HA 1 1 18 6500 1 1 17 ALA HB1 H 8.438 -2.229 3.934 1.00 . A A . 17 ALA HB1 1 1 18 6501 1 1 17 ALA HB2 H 7.456 -3.332 4.897 1.00 . A A . 17 ALA HB2 1 1 18 6502 1 1 17 ALA HB3 H 7.817 -1.716 5.502 1.00 . A A . 17 ALA HB3 1 1 18 6503 1 1 17 ALA N N 5.174 -2.473 4.441 1.00 . A A . 17 ALA N 1 1 18 6504 1 1 17 ALA O O 6.697 -0.899 1.737 1.00 . A A . 17 ALA O 1 1 18 6505 1 1 18 ALA C C 5.363 -2.513 -0.269 1.00 . A A . 18 ALA C 1 1 18 6506 1 1 18 ALA CA C 6.383 -3.354 0.491 1.00 . A A . 18 ALA CA 1 1 18 6507 1 1 18 ALA CB C 6.173 -4.832 0.198 1.00 . A A . 18 ALA CB 1 1 18 6508 1 1 18 ALA H H 6.115 -3.855 2.530 1.00 . A A . 18 ALA H 1 1 18 6509 1 1 18 ALA HA H 7.375 -3.083 0.162 1.00 . A A . 18 ALA HA 1 1 18 6510 1 1 18 ALA HB1 H 6.291 -5.010 -0.861 1.00 . A A . 18 ALA HB1 1 1 18 6511 1 1 18 ALA HB2 H 5.180 -5.123 0.503 1.00 . A A . 18 ALA HB2 1 1 18 6512 1 1 18 ALA HB3 H 6.902 -5.414 0.744 1.00 . A A . 18 ALA HB3 1 1 18 6513 1 1 18 ALA N N 6.299 -3.105 1.925 1.00 . A A . 18 ALA N 1 1 18 6514 1 1 18 ALA O O 5.625 -2.057 -1.382 1.00 . A A . 18 ALA O 1 1 18 6515 1 1 19 HIS C C 3.467 -0.030 -0.208 1.00 . A A . 19 HIS C 1 1 18 6516 1 1 19 HIS CA C 3.141 -1.522 -0.274 1.00 . A A . 19 HIS CA 1 1 18 6517 1 1 19 HIS CB C 1.797 -1.814 0.414 1.00 . A A . 19 HIS CB 1 1 18 6518 1 1 19 HIS CD2 C 0.465 0.192 1.352 1.00 . A A . 19 HIS CD2 1 1 18 6519 1 1 19 HIS CE1 C -0.587 0.704 -0.481 1.00 . A A . 19 HIS CE1 1 1 18 6520 1 1 19 HIS CG C 0.823 -0.672 0.370 1.00 . A A . 19 HIS CG 1 1 18 6521 1 1 19 HIS H H 4.053 -2.699 1.229 1.00 . A A . 19 HIS H 1 1 18 6522 1 1 19 HIS HA H 3.073 -1.814 -1.312 1.00 . A A . 19 HIS HA 1 1 18 6523 1 1 19 HIS HB2 H 1.333 -2.660 -0.068 1.00 . A A . 19 HIS HB2 1 1 18 6524 1 1 19 HIS HB3 H 1.980 -2.054 1.451 1.00 . A A . 19 HIS HB3 1 1 18 6525 1 1 19 HIS HD2 H 0.826 0.205 2.366 1.00 . A A . 19 HIS HD2 1 1 18 6526 1 1 19 HIS HE1 H -1.207 1.223 -1.194 1.00 . A A . 19 HIS HE1 1 1 18 6527 1 1 19 HIS HE2 H -1.013 1.684 1.296 1.00 . A A . 19 HIS HE2 1 1 18 6528 1 1 19 HIS N N 4.200 -2.310 0.342 1.00 . A A . 19 HIS N 1 1 18 6529 1 1 19 HIS ND1 N 0.153 -0.340 -0.780 1.00 . A A . 19 HIS ND1 1 1 18 6530 1 1 19 HIS NE2 N -0.437 1.066 0.800 1.00 . A A . 19 HIS NE2 1 1 18 6531 1 1 19 HIS O O 3.582 0.637 -1.235 1.00 . A A . 19 HIS O 1 1 18 6532 1 1 20 MET C C 5.050 2.377 0.320 1.00 . A A . 20 MET C 1 1 18 6533 1 1 20 MET CA C 3.909 1.904 1.221 1.00 . A A . 20 MET CA 1 1 18 6534 1 1 20 MET CB C 4.267 2.156 2.687 1.00 . A A . 20 MET CB 1 1 18 6535 1 1 20 MET CE C 2.629 4.485 4.811 1.00 . A A . 20 MET CE 1 1 18 6536 1 1 20 MET CG C 4.540 3.618 3.002 1.00 . A A . 20 MET CG 1 1 18 6537 1 1 20 MET H H 3.499 -0.096 1.791 1.00 . A A . 20 MET H 1 1 18 6538 1 1 20 MET HA H 3.020 2.467 0.977 1.00 . A A . 20 MET HA 1 1 18 6539 1 1 20 MET HB2 H 3.448 1.823 3.307 1.00 . A A . 20 MET HB2 1 1 18 6540 1 1 20 MET HB3 H 5.150 1.585 2.934 1.00 . A A . 20 MET HB3 1 1 18 6541 1 1 20 MET HE1 H 2.007 3.605 4.883 1.00 . A A . 20 MET HE1 1 1 18 6542 1 1 20 MET HE2 H 2.380 5.030 3.913 1.00 . A A . 20 MET HE2 1 1 18 6543 1 1 20 MET HE3 H 2.462 5.115 5.672 1.00 . A A . 20 MET HE3 1 1 18 6544 1 1 20 MET HG2 H 5.552 3.852 2.706 1.00 . A A . 20 MET HG2 1 1 18 6545 1 1 20 MET HG3 H 3.850 4.228 2.439 1.00 . A A . 20 MET HG3 1 1 18 6546 1 1 20 MET N N 3.607 0.487 1.011 1.00 . A A . 20 MET N 1 1 18 6547 1 1 20 MET O O 4.969 3.448 -0.282 1.00 . A A . 20 MET O 1 1 18 6548 1 1 20 MET SD S 4.351 3.996 4.755 1.00 . A A . 20 MET SD 1 1 18 6549 1 1 21 THR C C 6.841 2.165 -2.047 1.00 . A A . 21 THR C 1 1 18 6550 1 1 21 THR CA C 7.260 1.928 -0.597 1.00 . A A . 21 THR CA 1 1 18 6551 1 1 21 THR CB C 8.316 0.824 -0.531 1.00 . A A . 21 THR CB 1 1 18 6552 1 1 21 THR CG2 C 7.849 -0.490 -1.120 1.00 . A A . 21 THR CG2 1 1 18 6553 1 1 21 THR H H 6.118 0.738 0.736 1.00 . A A . 21 THR H 1 1 18 6554 1 1 21 THR HA H 7.683 2.841 -0.205 1.00 . A A . 21 THR HA 1 1 18 6555 1 1 21 THR HB H 8.574 0.650 0.503 1.00 . A A . 21 THR HB 1 1 18 6556 1 1 21 THR HG1 H 10.157 0.529 -1.128 1.00 . A A . 21 THR HG1 1 1 18 6557 1 1 21 THR HG21 H 8.657 -0.944 -1.673 1.00 . A A . 21 THR HG21 1 1 18 6558 1 1 21 THR HG22 H 7.014 -0.311 -1.782 1.00 . A A . 21 THR HG22 1 1 18 6559 1 1 21 THR HG23 H 7.542 -1.152 -0.324 1.00 . A A . 21 THR HG23 1 1 18 6560 1 1 21 THR N N 6.109 1.580 0.232 1.00 . A A . 21 THR N 1 1 18 6561 1 1 21 THR O O 7.511 2.885 -2.787 1.00 . A A . 21 THR O 1 1 18 6562 1 1 21 THR OG1 O 9.489 1.212 -1.223 1.00 . A A . 21 THR OG1 1 1 18 6563 1 1 22 HIS C C 3.845 2.367 -3.803 1.00 . A A . 22 HIS C 1 1 18 6564 1 1 22 HIS CA C 5.218 1.689 -3.800 1.00 . A A . 22 HIS CA 1 1 18 6565 1 1 22 HIS CB C 5.151 0.301 -4.466 1.00 . A A . 22 HIS CB 1 1 18 6566 1 1 22 HIS CD2 C 2.577 -0.105 -4.613 1.00 . A A . 22 HIS CD2 1 1 18 6567 1 1 22 HIS CE1 C 2.459 -0.580 -6.751 1.00 . A A . 22 HIS CE1 1 1 18 6568 1 1 22 HIS CG C 3.836 -0.031 -5.119 1.00 . A A . 22 HIS CG 1 1 18 6569 1 1 22 HIS H H 5.243 0.994 -1.812 1.00 . A A . 22 HIS H 1 1 18 6570 1 1 22 HIS HA H 5.907 2.305 -4.343 1.00 . A A . 22 HIS HA 1 1 18 6571 1 1 22 HIS HB2 H 5.914 0.243 -5.226 1.00 . A A . 22 HIS HB2 1 1 18 6572 1 1 22 HIS HB3 H 5.345 -0.453 -3.717 1.00 . A A . 22 HIS HB3 1 1 18 6573 1 1 22 HIS HD1 H 4.463 -0.366 -7.103 1.00 . A A . 22 HIS HD1 1 1 18 6574 1 1 22 HIS HD2 H 2.279 0.078 -3.583 1.00 . A A . 22 HIS HD2 1 1 18 6575 1 1 22 HIS HE1 H 2.075 -0.844 -7.726 1.00 . A A . 22 HIS HE1 1 1 18 6576 1 1 22 HIS HE2 H 0.768 -0.511 -5.599 1.00 . A A . 22 HIS HE2 1 1 18 6577 1 1 22 HIS N N 5.730 1.553 -2.444 1.00 . A A . 22 HIS N 1 1 18 6578 1 1 22 HIS ND1 N 3.724 -0.335 -6.460 1.00 . A A . 22 HIS ND1 1 1 18 6579 1 1 22 HIS NE2 N 1.744 -0.448 -5.650 1.00 . A A . 22 HIS NE2 1 1 18 6580 1 1 22 HIS O O 3.205 2.494 -4.848 1.00 . A A . 22 HIS O 1 1 18 6581 1 1 23 CYS C C 2.126 4.517 -1.449 1.00 . A A . 23 CYS C 1 1 18 6582 1 1 23 CYS CA C 2.091 3.407 -2.498 1.00 . A A . 23 CYS CA 1 1 18 6583 1 1 23 CYS CB C 1.079 2.341 -2.088 1.00 . A A . 23 CYS CB 1 1 18 6584 1 1 23 CYS H H 3.928 2.640 -1.830 1.00 . A A . 23 CYS H 1 1 18 6585 1 1 23 CYS HA H 1.809 3.822 -3.453 1.00 . A A . 23 CYS HA 1 1 18 6586 1 1 23 CYS HB2 H 1.604 1.546 -1.581 1.00 . A A . 23 CYS HB2 1 1 18 6587 1 1 23 CYS HB3 H 0.369 2.776 -1.406 1.00 . A A . 23 CYS HB3 1 1 18 6588 1 1 23 CYS N N 3.390 2.780 -2.630 1.00 . A A . 23 CYS N 1 1 18 6589 1 1 23 CYS O O 1.124 4.791 -0.788 1.00 . A A . 23 CYS O 1 1 18 6590 1 1 23 CYS SG S 0.156 1.585 -3.470 1.00 . A A . 23 CYS SG 1 1 18 6591 1 1 24 ALA C C 2.536 7.406 -0.665 1.00 . A A . 24 ALA C 1 1 18 6592 1 1 24 ALA CA C 3.448 6.229 -0.335 1.00 . A A . 24 ALA CA 1 1 18 6593 1 1 24 ALA CB C 4.900 6.681 -0.291 1.00 . A A . 24 ALA CB 1 1 18 6594 1 1 24 ALA H H 4.047 4.888 -1.858 1.00 . A A . 24 ALA H 1 1 18 6595 1 1 24 ALA HA H 3.185 5.845 0.640 1.00 . A A . 24 ALA HA 1 1 18 6596 1 1 24 ALA HB1 H 5.519 5.867 0.059 1.00 . A A . 24 ALA HB1 1 1 18 6597 1 1 24 ALA HB2 H 4.995 7.521 0.381 1.00 . A A . 24 ALA HB2 1 1 18 6598 1 1 24 ALA HB3 H 5.217 6.973 -1.280 1.00 . A A . 24 ALA HB3 1 1 18 6599 1 1 24 ALA N N 3.285 5.151 -1.303 1.00 . A A . 24 ALA N 1 1 18 6600 1 1 24 ALA O O 1.876 7.421 -1.703 1.00 . A A . 24 ALA O 1 1 18 6601 1 1 25 LYS C C 2.467 10.689 -0.640 1.00 . A A . 25 LYS C 1 1 18 6602 1 1 25 LYS CA C 1.675 9.573 0.032 1.00 . A A . 25 LYS CA 1 1 18 6603 1 1 25 LYS CB C 1.122 10.061 1.372 1.00 . A A . 25 LYS CB 1 1 18 6604 1 1 25 LYS CD C -1.281 9.413 1.720 1.00 . A A . 25 LYS CD 1 1 18 6605 1 1 25 LYS CE C -2.179 9.169 2.923 1.00 . A A . 25 LYS CE 1 1 18 6606 1 1 25 LYS CG C 0.169 9.077 2.031 1.00 . A A . 25 LYS CG 1 1 18 6607 1 1 25 LYS H H 3.055 8.322 1.037 1.00 . A A . 25 LYS H 1 1 18 6608 1 1 25 LYS HA H 0.850 9.297 -0.608 1.00 . A A . 25 LYS HA 1 1 18 6609 1 1 25 LYS HB2 H 1.947 10.237 2.047 1.00 . A A . 25 LYS HB2 1 1 18 6610 1 1 25 LYS HB3 H 0.594 10.990 1.214 1.00 . A A . 25 LYS HB3 1 1 18 6611 1 1 25 LYS HD2 H -1.347 10.453 1.439 1.00 . A A . 25 LYS HD2 1 1 18 6612 1 1 25 LYS HD3 H -1.616 8.795 0.901 1.00 . A A . 25 LYS HD3 1 1 18 6613 1 1 25 LYS HE2 H -2.356 8.108 3.015 1.00 . A A . 25 LYS HE2 1 1 18 6614 1 1 25 LYS HE3 H -1.677 9.528 3.809 1.00 . A A . 25 LYS HE3 1 1 18 6615 1 1 25 LYS HG2 H 0.383 8.084 1.666 1.00 . A A . 25 LYS HG2 1 1 18 6616 1 1 25 LYS HG3 H 0.316 9.110 3.101 1.00 . A A . 25 LYS HG3 1 1 18 6617 1 1 25 LYS HZ1 H -4.173 9.253 2.307 1.00 . A A . 25 LYS HZ1 1 1 18 6618 1 1 25 LYS HZ2 H -3.372 10.741 2.236 1.00 . A A . 25 LYS HZ2 1 1 18 6619 1 1 25 LYS HZ3 H -3.858 10.113 3.730 1.00 . A A . 25 LYS HZ3 1 1 18 6620 1 1 25 LYS N N 2.505 8.391 0.228 1.00 . A A . 25 LYS N 1 1 18 6621 1 1 25 LYS NZ N -3.487 9.868 2.790 1.00 . A A . 25 LYS NZ 1 1 18 6622 1 1 25 LYS O O 3.525 11.072 -0.100 1.00 . A A . 25 LYS O 1 1 18 6623 1 1 25 LYS OXT O 2.023 11.171 -1.705 1.00 . A A . 25 LYS OXT 1 1 18 6624 2 2 1 ZN ZN ZN -0.349 -0.544 -2.694 1.00 . B A . 26 ZN ZN 1 1 19 6625 1 1 1 ARG C C -2.296 -0.415 5.566 1.00 . A A . 1 ARG C 1 1 19 6626 1 1 1 ARG CA C -2.390 -0.110 7.057 1.00 . A A . 1 ARG CA 1 1 19 6627 1 1 1 ARG CB C -3.738 -0.577 7.608 1.00 . A A . 1 ARG CB 1 1 19 6628 1 1 1 ARG CD C -4.754 -2.160 9.274 1.00 . A A . 1 ARG CD 1 1 19 6629 1 1 1 ARG CG C -3.705 -1.981 8.189 1.00 . A A . 1 ARG CG 1 1 19 6630 1 1 1 ARG CZ C -5.005 -3.481 11.338 1.00 . A A . 1 ARG CZ 1 1 19 6631 1 1 1 ARG H1 H -2.906 1.846 6.683 1.00 . A A . 1 ARG H1 1 1 19 6632 1 1 1 ARG H2 H -1.263 1.610 7.122 1.00 . A A . 1 ARG H2 1 1 19 6633 1 1 1 ARG H3 H -2.494 1.516 8.314 1.00 . A A . 1 ARG H3 1 1 19 6634 1 1 1 ARG HA H -1.596 -0.628 7.573 1.00 . A A . 1 ARG HA 1 1 19 6635 1 1 1 ARG HB2 H -4.052 0.104 8.386 1.00 . A A . 1 ARG HB2 1 1 19 6636 1 1 1 ARG HB3 H -4.466 -0.558 6.810 1.00 . A A . 1 ARG HB3 1 1 19 6637 1 1 1 ARG HD2 H -4.789 -1.264 9.874 1.00 . A A . 1 ARG HD2 1 1 19 6638 1 1 1 ARG HD3 H -5.714 -2.317 8.805 1.00 . A A . 1 ARG HD3 1 1 19 6639 1 1 1 ARG HE H -3.816 -3.963 9.811 1.00 . A A . 1 ARG HE 1 1 19 6640 1 1 1 ARG HG2 H -3.894 -2.691 7.398 1.00 . A A . 1 ARG HG2 1 1 19 6641 1 1 1 ARG HG3 H -2.727 -2.162 8.612 1.00 . A A . 1 ARG HG3 1 1 19 6642 1 1 1 ARG HH11 H -6.128 -1.800 11.278 1.00 . A A . 1 ARG HH11 1 1 19 6643 1 1 1 ARG HH12 H -6.286 -2.746 12.719 1.00 . A A . 1 ARG HH12 1 1 19 6644 1 1 1 ARG HH21 H -4.023 -5.209 11.705 1.00 . A A . 1 ARG HH21 1 1 19 6645 1 1 1 ARG HH22 H -5.091 -4.681 12.962 1.00 . A A . 1 ARG HH22 1 1 19 6646 1 1 1 ARG N N -2.250 1.347 7.318 1.00 . A A . 1 ARG N 1 1 19 6647 1 1 1 ARG NE N -4.457 -3.300 10.140 1.00 . A A . 1 ARG NE 1 1 19 6648 1 1 1 ARG NH1 N -5.878 -2.603 11.817 1.00 . A A . 1 ARG NH1 1 1 19 6649 1 1 1 ARG NH2 N -4.680 -4.544 12.061 1.00 . A A . 1 ARG NH2 1 1 19 6650 1 1 1 ARG O O -2.148 0.490 4.745 1.00 . A A . 1 ARG O 1 1 19 6651 1 1 2 VAL C C -3.704 -2.324 3.245 1.00 . A A . 2 VAL C 1 1 19 6652 1 1 2 VAL CA C -2.309 -2.121 3.831 1.00 . A A . 2 VAL CA 1 1 19 6653 1 1 2 VAL CB C -1.496 -3.425 3.687 1.00 . A A . 2 VAL CB 1 1 19 6654 1 1 2 VAL CG1 C -2.174 -4.570 4.427 1.00 . A A . 2 VAL CG1 1 1 19 6655 1 1 2 VAL CG2 C -1.291 -3.771 2.217 1.00 . A A . 2 VAL CG2 1 1 19 6656 1 1 2 VAL H H -2.500 -2.371 5.923 1.00 . A A . 2 VAL H 1 1 19 6657 1 1 2 VAL HA H -1.805 -1.345 3.273 1.00 . A A . 2 VAL HA 1 1 19 6658 1 1 2 VAL HB H -0.525 -3.268 4.133 1.00 . A A . 2 VAL HB 1 1 19 6659 1 1 2 VAL HG11 H -1.637 -4.775 5.341 1.00 . A A . 2 VAL HG11 1 1 19 6660 1 1 2 VAL HG12 H -2.174 -5.452 3.805 1.00 . A A . 2 VAL HG12 1 1 19 6661 1 1 2 VAL HG13 H -3.192 -4.295 4.662 1.00 . A A . 2 VAL HG13 1 1 19 6662 1 1 2 VAL HG21 H -1.902 -3.124 1.605 1.00 . A A . 2 VAL HG21 1 1 19 6663 1 1 2 VAL HG22 H -1.573 -4.800 2.045 1.00 . A A . 2 VAL HG22 1 1 19 6664 1 1 2 VAL HG23 H -0.252 -3.636 1.957 1.00 . A A . 2 VAL HG23 1 1 19 6665 1 1 2 VAL N N -2.383 -1.696 5.223 1.00 . A A . 2 VAL N 1 1 19 6666 1 1 2 VAL O O -3.946 -3.272 2.498 1.00 . A A . 2 VAL O 1 1 19 6667 1 1 3 ILE C C -6.298 -0.361 2.133 1.00 . A A . 3 ILE C 1 1 19 6668 1 1 3 ILE CA C -5.990 -1.503 3.101 1.00 . A A . 3 ILE CA 1 1 19 6669 1 1 3 ILE CB C -7.004 -1.472 4.265 1.00 . A A . 3 ILE CB 1 1 19 6670 1 1 3 ILE CD1 C -9.307 -2.498 4.618 1.00 . A A . 3 ILE CD1 1 1 19 6671 1 1 3 ILE CG1 C -8.431 -1.635 3.736 1.00 . A A . 3 ILE CG1 1 1 19 6672 1 1 3 ILE CG2 C -6.870 -0.178 5.056 1.00 . A A . 3 ILE CG2 1 1 19 6673 1 1 3 ILE H H -4.367 -0.691 4.190 1.00 . A A . 3 ILE H 1 1 19 6674 1 1 3 ILE HA H -6.104 -2.442 2.579 1.00 . A A . 3 ILE HA 1 1 19 6675 1 1 3 ILE HB H -6.779 -2.293 4.928 1.00 . A A . 3 ILE HB 1 1 19 6676 1 1 3 ILE HD11 H -10.136 -1.913 4.987 1.00 . A A . 3 ILE HD11 1 1 19 6677 1 1 3 ILE HD12 H -8.726 -2.865 5.452 1.00 . A A . 3 ILE HD12 1 1 19 6678 1 1 3 ILE HD13 H -9.682 -3.334 4.046 1.00 . A A . 3 ILE HD13 1 1 19 6679 1 1 3 ILE HG12 H -8.894 -0.662 3.661 1.00 . A A . 3 ILE HG12 1 1 19 6680 1 1 3 ILE HG13 H -8.396 -2.088 2.756 1.00 . A A . 3 ILE HG13 1 1 19 6681 1 1 3 ILE HG21 H -6.423 0.582 4.433 1.00 . A A . 3 ILE HG21 1 1 19 6682 1 1 3 ILE HG22 H -6.245 -0.348 5.919 1.00 . A A . 3 ILE HG22 1 1 19 6683 1 1 3 ILE HG23 H -7.848 0.150 5.378 1.00 . A A . 3 ILE HG23 1 1 19 6684 1 1 3 ILE N N -4.619 -1.425 3.591 1.00 . A A . 3 ILE N 1 1 19 6685 1 1 3 ILE O O -7.175 -0.481 1.279 1.00 . A A . 3 ILE O 1 1 19 6686 1 1 4 ALA C C -5.544 1.543 -0.055 1.00 . A A . 4 ALA C 1 1 19 6687 1 1 4 ALA CA C -5.767 1.902 1.410 1.00 . A A . 4 ALA CA 1 1 19 6688 1 1 4 ALA CB C -4.837 3.032 1.826 1.00 . A A . 4 ALA CB 1 1 19 6689 1 1 4 ALA H H -4.884 0.780 2.972 1.00 . A A . 4 ALA H 1 1 19 6690 1 1 4 ALA HA H -6.786 2.241 1.536 1.00 . A A . 4 ALA HA 1 1 19 6691 1 1 4 ALA HB1 H -3.901 2.619 2.169 1.00 . A A . 4 ALA HB1 1 1 19 6692 1 1 4 ALA HB2 H -5.295 3.599 2.624 1.00 . A A . 4 ALA HB2 1 1 19 6693 1 1 4 ALA HB3 H -4.657 3.680 0.981 1.00 . A A . 4 ALA HB3 1 1 19 6694 1 1 4 ALA N N -5.570 0.743 2.272 1.00 . A A . 4 ALA N 1 1 19 6695 1 1 4 ALA O O -6.117 2.165 -0.950 1.00 . A A . 4 ALA O 1 1 19 6696 1 1 5 CYS C C -5.684 -0.297 -2.393 1.00 . A A . 5 CYS C 1 1 19 6697 1 1 5 CYS CA C -4.409 0.098 -1.654 1.00 . A A . 5 CYS CA 1 1 19 6698 1 1 5 CYS CB C -3.434 -1.082 -1.629 1.00 . A A . 5 CYS CB 1 1 19 6699 1 1 5 CYS H H -4.280 0.081 0.459 1.00 . A A . 5 CYS H 1 1 19 6700 1 1 5 CYS HA H -3.947 0.924 -2.175 1.00 . A A . 5 CYS HA 1 1 19 6701 1 1 5 CYS HB2 H -2.740 -0.948 -0.814 1.00 . A A . 5 CYS HB2 1 1 19 6702 1 1 5 CYS HB3 H -3.992 -1.995 -1.474 1.00 . A A . 5 CYS HB3 1 1 19 6703 1 1 5 CYS N N -4.706 0.538 -0.295 1.00 . A A . 5 CYS N 1 1 19 6704 1 1 5 CYS O O -6.507 -1.050 -1.872 1.00 . A A . 5 CYS O 1 1 19 6705 1 1 5 CYS SG S -2.465 -1.277 -3.160 1.00 . A A . 5 CYS SG 1 1 19 6706 1 1 6 PHE C C -6.712 -1.194 -5.422 1.00 . A A . 6 PHE C 1 1 19 6707 1 1 6 PHE CA C -7.013 -0.084 -4.421 1.00 . A A . 6 PHE CA 1 1 19 6708 1 1 6 PHE CB C -7.485 1.170 -5.158 1.00 . A A . 6 PHE CB 1 1 19 6709 1 1 6 PHE CD1 C -5.481 2.579 -5.706 1.00 . A A . 6 PHE CD1 1 1 19 6710 1 1 6 PHE CD2 C -6.517 1.349 -7.466 1.00 . A A . 6 PHE CD2 1 1 19 6711 1 1 6 PHE CE1 C -4.550 3.077 -6.597 1.00 . A A . 6 PHE CE1 1 1 19 6712 1 1 6 PHE CE2 C -5.590 1.845 -8.363 1.00 . A A . 6 PHE CE2 1 1 19 6713 1 1 6 PHE CG C -6.474 1.710 -6.130 1.00 . A A . 6 PHE CG 1 1 19 6714 1 1 6 PHE CZ C -4.605 2.709 -7.928 1.00 . A A . 6 PHE CZ 1 1 19 6715 1 1 6 PHE H H -5.148 0.809 -3.970 1.00 . A A . 6 PHE H 1 1 19 6716 1 1 6 PHE HA H -7.799 -0.417 -3.758 1.00 . A A . 6 PHE HA 1 1 19 6717 1 1 6 PHE HB2 H -8.384 0.940 -5.709 1.00 . A A . 6 PHE HB2 1 1 19 6718 1 1 6 PHE HB3 H -7.700 1.944 -4.435 1.00 . A A . 6 PHE HB3 1 1 19 6719 1 1 6 PHE HD1 H -5.438 2.867 -4.666 1.00 . A A . 6 PHE HD1 1 1 19 6720 1 1 6 PHE HD2 H -7.288 0.673 -7.808 1.00 . A A . 6 PHE HD2 1 1 19 6721 1 1 6 PHE HE1 H -3.781 3.753 -6.254 1.00 . A A . 6 PHE HE1 1 1 19 6722 1 1 6 PHE HE2 H -5.633 1.555 -9.402 1.00 . A A . 6 PHE HE2 1 1 19 6723 1 1 6 PHE HZ H -3.878 3.098 -8.626 1.00 . A A . 6 PHE HZ 1 1 19 6724 1 1 6 PHE N N -5.840 0.216 -3.609 1.00 . A A . 6 PHE N 1 1 19 6725 1 1 6 PHE O O -7.221 -1.189 -6.543 1.00 . A A . 6 PHE O 1 1 19 6726 1 1 7 LEU C C -5.684 -4.588 -5.138 1.00 . A A . 7 LEU C 1 1 19 6727 1 1 7 LEU CA C -5.503 -3.260 -5.870 1.00 . A A . 7 LEU CA 1 1 19 6728 1 1 7 LEU CB C -4.053 -3.104 -6.335 1.00 . A A . 7 LEU CB 1 1 19 6729 1 1 7 LEU CD1 C -2.139 -1.548 -6.785 1.00 . A A . 7 LEU CD1 1 1 19 6730 1 1 7 LEU CD2 C -4.264 -1.322 -8.085 1.00 . A A . 7 LEU CD2 1 1 19 6731 1 1 7 LEU CG C -3.653 -1.684 -6.739 1.00 . A A . 7 LEU CG 1 1 19 6732 1 1 7 LEU H H -5.503 -2.090 -4.107 1.00 . A A . 7 LEU H 1 1 19 6733 1 1 7 LEU HA H -6.152 -3.247 -6.732 1.00 . A A . 7 LEU HA 1 1 19 6734 1 1 7 LEU HB2 H -3.404 -3.424 -5.532 1.00 . A A . 7 LEU HB2 1 1 19 6735 1 1 7 LEU HB3 H -3.897 -3.752 -7.182 1.00 . A A . 7 LEU HB3 1 1 19 6736 1 1 7 LEU HD11 H -1.730 -2.310 -7.433 1.00 . A A . 7 LEU HD11 1 1 19 6737 1 1 7 LEU HD12 H -1.736 -1.667 -5.790 1.00 . A A . 7 LEU HD12 1 1 19 6738 1 1 7 LEU HD13 H -1.876 -0.573 -7.166 1.00 . A A . 7 LEU HD13 1 1 19 6739 1 1 7 LEU HD21 H -4.202 -0.254 -8.233 1.00 . A A . 7 LEU HD21 1 1 19 6740 1 1 7 LEU HD22 H -5.298 -1.630 -8.105 1.00 . A A . 7 LEU HD22 1 1 19 6741 1 1 7 LEU HD23 H -3.723 -1.827 -8.872 1.00 . A A . 7 LEU HD23 1 1 19 6742 1 1 7 LEU HG H -4.028 -0.987 -6.003 1.00 . A A . 7 LEU HG 1 1 19 6743 1 1 7 LEU N N -5.877 -2.143 -5.010 1.00 . A A . 7 LEU N 1 1 19 6744 1 1 7 LEU O O -6.410 -4.666 -4.146 1.00 . A A . 7 LEU O 1 1 19 6745 1 1 8 LYS C C -3.733 -7.589 -4.888 1.00 . A A . 8 LYS C 1 1 19 6746 1 1 8 LYS CA C -5.113 -6.953 -5.018 1.00 . A A . 8 LYS CA 1 1 19 6747 1 1 8 LYS CB C -6.029 -7.858 -5.845 1.00 . A A . 8 LYS CB 1 1 19 6748 1 1 8 LYS CD C -7.193 -6.555 -7.651 1.00 . A A . 8 LYS CD 1 1 19 6749 1 1 8 LYS CE C -8.495 -6.646 -8.430 1.00 . A A . 8 LYS CE 1 1 19 6750 1 1 8 LYS CG C -7.322 -7.185 -6.273 1.00 . A A . 8 LYS CG 1 1 19 6751 1 1 8 LYS H H -4.458 -5.512 -6.422 1.00 . A A . 8 LYS H 1 1 19 6752 1 1 8 LYS HA H -5.535 -6.832 -4.032 1.00 . A A . 8 LYS HA 1 1 19 6753 1 1 8 LYS HB2 H -5.500 -8.171 -6.733 1.00 . A A . 8 LYS HB2 1 1 19 6754 1 1 8 LYS HB3 H -6.278 -8.729 -5.258 1.00 . A A . 8 LYS HB3 1 1 19 6755 1 1 8 LYS HD2 H -6.926 -5.515 -7.537 1.00 . A A . 8 LYS HD2 1 1 19 6756 1 1 8 LYS HD3 H -6.418 -7.070 -8.200 1.00 . A A . 8 LYS HD3 1 1 19 6757 1 1 8 LYS HE2 H -9.029 -7.530 -8.113 1.00 . A A . 8 LYS HE2 1 1 19 6758 1 1 8 LYS HE3 H -9.090 -5.770 -8.215 1.00 . A A . 8 LYS HE3 1 1 19 6759 1 1 8 LYS HG2 H -8.110 -7.923 -6.300 1.00 . A A . 8 LYS HG2 1 1 19 6760 1 1 8 LYS HG3 H -7.572 -6.416 -5.558 1.00 . A A . 8 LYS HG3 1 1 19 6761 1 1 8 LYS HZ1 H -8.266 -7.717 -10.208 1.00 . A A . 8 LYS HZ1 1 1 19 6762 1 1 8 LYS HZ2 H -7.339 -6.304 -10.136 1.00 . A A . 8 LYS HZ2 1 1 19 6763 1 1 8 LYS HZ3 H -9.005 -6.207 -10.408 1.00 . A A . 8 LYS HZ3 1 1 19 6764 1 1 8 LYS N N -5.021 -5.632 -5.629 1.00 . A A . 8 LYS N 1 1 19 6765 1 1 8 LYS NZ N -8.259 -6.724 -9.898 1.00 . A A . 8 LYS NZ 1 1 19 6766 1 1 8 LYS O O -3.388 -8.138 -3.841 1.00 . A A . 8 LYS O 1 1 19 6767 1 1 9 VAL C C -0.687 -7.314 -5.002 1.00 . A A . 9 VAL C 1 1 19 6768 1 1 9 VAL CA C -1.603 -8.074 -5.958 1.00 . A A . 9 VAL CA 1 1 19 6769 1 1 9 VAL CB C -0.988 -8.057 -7.372 1.00 . A A . 9 VAL CB 1 1 19 6770 1 1 9 VAL CG1 C -0.864 -6.630 -7.887 1.00 . A A . 9 VAL CG1 1 1 19 6771 1 1 9 VAL CG2 C 0.365 -8.754 -7.378 1.00 . A A . 9 VAL CG2 1 1 19 6772 1 1 9 VAL H H -3.275 -7.057 -6.760 1.00 . A A . 9 VAL H 1 1 19 6773 1 1 9 VAL HA H -1.674 -9.101 -5.631 1.00 . A A . 9 VAL HA 1 1 19 6774 1 1 9 VAL HB H -1.649 -8.597 -8.035 1.00 . A A . 9 VAL HB 1 1 19 6775 1 1 9 VAL HG11 H 0.098 -6.228 -7.605 1.00 . A A . 9 VAL HG11 1 1 19 6776 1 1 9 VAL HG12 H -1.648 -6.023 -7.458 1.00 . A A . 9 VAL HG12 1 1 19 6777 1 1 9 VAL HG13 H -0.954 -6.626 -8.963 1.00 . A A . 9 VAL HG13 1 1 19 6778 1 1 9 VAL HG21 H 0.609 -9.057 -8.385 1.00 . A A . 9 VAL HG21 1 1 19 6779 1 1 9 VAL HG22 H 0.324 -9.623 -6.739 1.00 . A A . 9 VAL HG22 1 1 19 6780 1 1 9 VAL HG23 H 1.121 -8.075 -7.013 1.00 . A A . 9 VAL HG23 1 1 19 6781 1 1 9 VAL N N -2.946 -7.509 -5.956 1.00 . A A . 9 VAL N 1 1 19 6782 1 1 9 VAL O O 0.256 -7.879 -4.449 1.00 . A A . 9 VAL O 1 1 19 6783 1 1 10 CYS C C -0.746 -5.202 -2.510 1.00 . A A . 10 CYS C 1 1 19 6784 1 1 10 CYS CA C -0.176 -5.191 -3.924 1.00 . A A . 10 CYS CA 1 1 19 6785 1 1 10 CYS CB C -0.123 -3.756 -4.453 1.00 . A A . 10 CYS CB 1 1 19 6786 1 1 10 CYS H H -1.737 -5.635 -5.282 1.00 . A A . 10 CYS H 1 1 19 6787 1 1 10 CYS HA H 0.826 -5.594 -3.899 1.00 . A A . 10 CYS HA 1 1 19 6788 1 1 10 CYS HB2 H 0.222 -3.770 -5.477 1.00 . A A . 10 CYS HB2 1 1 19 6789 1 1 10 CYS HB3 H -1.116 -3.331 -4.419 1.00 . A A . 10 CYS HB3 1 1 19 6790 1 1 10 CYS N N -0.973 -6.029 -4.813 1.00 . A A . 10 CYS N 1 1 19 6791 1 1 10 CYS O O -0.018 -5.400 -1.538 1.00 . A A . 10 CYS O 1 1 19 6792 1 1 10 CYS SG S 0.985 -2.656 -3.514 1.00 . A A . 10 CYS SG 1 1 19 6793 1 1 11 ALA C C -2.701 -6.352 -0.461 1.00 . A A . 11 ALA C 1 1 19 6794 1 1 11 ALA CA C -2.721 -4.971 -1.106 1.00 . A A . 11 ALA CA 1 1 19 6795 1 1 11 ALA CB C -4.153 -4.479 -1.257 1.00 . A A . 11 ALA CB 1 1 19 6796 1 1 11 ALA H H -2.581 -4.836 -3.214 1.00 . A A . 11 ALA H 1 1 19 6797 1 1 11 ALA HA H -2.193 -4.279 -0.468 1.00 . A A . 11 ALA HA 1 1 19 6798 1 1 11 ALA HB1 H -4.407 -3.850 -0.417 1.00 . A A . 11 ALA HB1 1 1 19 6799 1 1 11 ALA HB2 H -4.823 -5.325 -1.290 1.00 . A A . 11 ALA HB2 1 1 19 6800 1 1 11 ALA HB3 H -4.244 -3.912 -2.172 1.00 . A A . 11 ALA HB3 1 1 19 6801 1 1 11 ALA N N -2.053 -4.987 -2.402 1.00 . A A . 11 ALA N 1 1 19 6802 1 1 11 ALA O O -2.437 -6.487 0.734 1.00 . A A . 11 ALA O 1 1 19 6803 1 1 12 ALA C C -1.603 -9.381 -0.797 1.00 . A A . 12 ALA C 1 1 19 6804 1 1 12 ALA CA C -2.997 -8.753 -0.768 1.00 . A A . 12 ALA CA 1 1 19 6805 1 1 12 ALA CB C -3.968 -9.592 -1.586 1.00 . A A . 12 ALA CB 1 1 19 6806 1 1 12 ALA H H -3.184 -7.207 -2.203 1.00 . A A . 12 ALA H 1 1 19 6807 1 1 12 ALA HA H -3.349 -8.736 0.252 1.00 . A A . 12 ALA HA 1 1 19 6808 1 1 12 ALA HB1 H -4.463 -10.302 -0.940 1.00 . A A . 12 ALA HB1 1 1 19 6809 1 1 12 ALA HB2 H -3.427 -10.121 -2.355 1.00 . A A . 12 ALA HB2 1 1 19 6810 1 1 12 ALA HB3 H -4.704 -8.946 -2.043 1.00 . A A . 12 ALA HB3 1 1 19 6811 1 1 12 ALA N N -2.981 -7.378 -1.259 1.00 . A A . 12 ALA N 1 1 19 6812 1 1 12 ALA O O -1.460 -10.575 -1.055 1.00 . A A . 12 ALA O 1 1 19 6813 1 1 13 ALA C C 1.264 -9.418 0.880 1.00 . A A . 13 ALA C 1 1 19 6814 1 1 13 ALA CA C 0.795 -9.063 -0.531 1.00 . A A . 13 ALA CA 1 1 19 6815 1 1 13 ALA CB C 1.722 -8.028 -1.149 1.00 . A A . 13 ALA CB 1 1 19 6816 1 1 13 ALA H H -0.748 -7.633 -0.332 1.00 . A A . 13 ALA H 1 1 19 6817 1 1 13 ALA HA H 0.831 -9.952 -1.143 1.00 . A A . 13 ALA HA 1 1 19 6818 1 1 13 ALA HB1 H 1.411 -7.039 -0.846 1.00 . A A . 13 ALA HB1 1 1 19 6819 1 1 13 ALA HB2 H 1.679 -8.104 -2.227 1.00 . A A . 13 ALA HB2 1 1 19 6820 1 1 13 ALA HB3 H 2.733 -8.205 -0.816 1.00 . A A . 13 ALA HB3 1 1 19 6821 1 1 13 ALA N N -0.578 -8.574 -0.532 1.00 . A A . 13 ALA N 1 1 19 6822 1 1 13 ALA O O 2.397 -9.858 1.072 1.00 . A A . 13 ALA O 1 1 19 6823 1 1 14 ALA C C 1.949 -8.746 3.708 1.00 . A A . 14 ALA C 1 1 19 6824 1 1 14 ALA CA C 0.723 -9.529 3.252 1.00 . A A . 14 ALA CA 1 1 19 6825 1 1 14 ALA CB C 0.954 -11.023 3.424 1.00 . A A . 14 ALA CB 1 1 19 6826 1 1 14 ALA H H -0.499 -8.873 1.656 1.00 . A A . 14 ALA H 1 1 19 6827 1 1 14 ALA HA H -0.119 -9.246 3.866 1.00 . A A . 14 ALA HA 1 1 19 6828 1 1 14 ALA HB1 H 2.009 -11.236 3.331 1.00 . A A . 14 ALA HB1 1 1 19 6829 1 1 14 ALA HB2 H 0.409 -11.561 2.663 1.00 . A A . 14 ALA HB2 1 1 19 6830 1 1 14 ALA HB3 H 0.609 -11.331 4.400 1.00 . A A . 14 ALA HB3 1 1 19 6831 1 1 14 ALA N N 0.389 -9.226 1.865 1.00 . A A . 14 ALA N 1 1 19 6832 1 1 14 ALA O O 2.716 -9.209 4.552 1.00 . A A . 14 ALA O 1 1 19 6833 1 1 15 ASN C C 2.869 -5.236 3.473 1.00 . A A . 15 ASN C 1 1 19 6834 1 1 15 ASN CA C 3.265 -6.709 3.492 1.00 . A A . 15 ASN CA 1 1 19 6835 1 1 15 ASN CB C 4.425 -6.952 2.524 1.00 . A A . 15 ASN CB 1 1 19 6836 1 1 15 ASN CG C 5.771 -6.936 3.222 1.00 . A A . 15 ASN CG 1 1 19 6837 1 1 15 ASN H H 1.485 -7.241 2.475 1.00 . A A . 15 ASN H 1 1 19 6838 1 1 15 ASN HA H 3.579 -6.972 4.491 1.00 . A A . 15 ASN HA 1 1 19 6839 1 1 15 ASN HB2 H 4.297 -7.914 2.053 1.00 . A A . 15 ASN HB2 1 1 19 6840 1 1 15 ASN HB3 H 4.422 -6.180 1.768 1.00 . A A . 15 ASN HB3 1 1 19 6841 1 1 15 ASN HD21 H 5.252 -5.308 4.240 1.00 . A A . 15 ASN HD21 1 1 19 6842 1 1 15 ASN HD22 H 6.836 -5.921 4.561 1.00 . A A . 15 ASN HD22 1 1 19 6843 1 1 15 ASN N N 2.130 -7.556 3.143 1.00 . A A . 15 ASN N 1 1 19 6844 1 1 15 ASN ND2 N 5.974 -5.956 4.095 1.00 . A A . 15 ASN ND2 1 1 19 6845 1 1 15 ASN O O 2.729 -4.634 2.408 1.00 . A A . 15 ASN O 1 1 19 6846 1 1 15 ASN OD1 O 6.620 -7.793 2.978 1.00 . A A . 15 ASN OD1 1 1 19 6847 1 1 16 VAL C C 3.451 -2.343 4.332 1.00 . A A . 16 VAL C 1 1 19 6848 1 1 16 VAL CA C 2.315 -3.258 4.778 1.00 . A A . 16 VAL CA 1 1 19 6849 1 1 16 VAL CB C 1.921 -2.902 6.224 1.00 . A A . 16 VAL CB 1 1 19 6850 1 1 16 VAL CG1 C 1.379 -1.483 6.298 1.00 . A A . 16 VAL CG1 1 1 19 6851 1 1 16 VAL CG2 C 0.903 -3.898 6.762 1.00 . A A . 16 VAL CG2 1 1 19 6852 1 1 16 VAL H H 2.821 -5.192 5.471 1.00 . A A . 16 VAL H 1 1 19 6853 1 1 16 VAL HA H 1.458 -3.088 4.141 1.00 . A A . 16 VAL HA 1 1 19 6854 1 1 16 VAL HB H 2.807 -2.957 6.840 1.00 . A A . 16 VAL HB 1 1 19 6855 1 1 16 VAL HG11 H 0.868 -1.342 7.240 1.00 . A A . 16 VAL HG11 1 1 19 6856 1 1 16 VAL HG12 H 0.686 -1.319 5.486 1.00 . A A . 16 VAL HG12 1 1 19 6857 1 1 16 VAL HG13 H 2.195 -0.781 6.222 1.00 . A A . 16 VAL HG13 1 1 19 6858 1 1 16 VAL HG21 H -0.083 -3.461 6.723 1.00 . A A . 16 VAL HG21 1 1 19 6859 1 1 16 VAL HG22 H 1.147 -4.143 7.786 1.00 . A A . 16 VAL HG22 1 1 19 6860 1 1 16 VAL HG23 H 0.924 -4.795 6.162 1.00 . A A . 16 VAL HG23 1 1 19 6861 1 1 16 VAL N N 2.693 -4.660 4.657 1.00 . A A . 16 VAL N 1 1 19 6862 1 1 16 VAL O O 3.230 -1.368 3.614 1.00 . A A . 16 VAL O 1 1 19 6863 1 1 17 ALA C C 6.108 -1.931 2.911 1.00 . A A . 17 ALA C 1 1 19 6864 1 1 17 ALA CA C 5.837 -1.871 4.410 1.00 . A A . 17 ALA CA 1 1 19 6865 1 1 17 ALA CB C 7.052 -2.350 5.187 1.00 . A A . 17 ALA CB 1 1 19 6866 1 1 17 ALA H H 4.778 -3.453 5.334 1.00 . A A . 17 ALA H 1 1 19 6867 1 1 17 ALA HA H 5.641 -0.846 4.689 1.00 . A A . 17 ALA HA 1 1 19 6868 1 1 17 ALA HB1 H 7.516 -3.172 4.662 1.00 . A A . 17 ALA HB1 1 1 19 6869 1 1 17 ALA HB2 H 6.745 -2.678 6.170 1.00 . A A . 17 ALA HB2 1 1 19 6870 1 1 17 ALA HB3 H 7.761 -1.540 5.283 1.00 . A A . 17 ALA HB3 1 1 19 6871 1 1 17 ALA N N 4.666 -2.664 4.764 1.00 . A A . 17 ALA N 1 1 19 6872 1 1 17 ALA O O 6.328 -0.904 2.268 1.00 . A A . 17 ALA O 1 1 19 6873 1 1 18 ALA C C 5.337 -2.537 0.096 1.00 . A A . 18 ALA C 1 1 19 6874 1 1 18 ALA CA C 6.332 -3.332 0.933 1.00 . A A . 18 ALA CA 1 1 19 6875 1 1 18 ALA CB C 6.260 -4.810 0.580 1.00 . A A . 18 ALA CB 1 1 19 6876 1 1 18 ALA H H 5.908 -3.921 2.922 1.00 . A A . 18 ALA H 1 1 19 6877 1 1 18 ALA HA H 7.331 -2.983 0.715 1.00 . A A . 18 ALA HA 1 1 19 6878 1 1 18 ALA HB1 H 6.905 -5.011 -0.263 1.00 . A A . 18 ALA HB1 1 1 19 6879 1 1 18 ALA HB2 H 5.243 -5.069 0.324 1.00 . A A . 18 ALA HB2 1 1 19 6880 1 1 18 ALA HB3 H 6.580 -5.399 1.427 1.00 . A A . 18 ALA HB3 1 1 19 6881 1 1 18 ALA N N 6.090 -3.140 2.358 1.00 . A A . 18 ALA N 1 1 19 6882 1 1 18 ALA O O 5.658 -2.078 -1.000 1.00 . A A . 18 ALA O 1 1 19 6883 1 1 19 HIS C C 3.348 -0.130 0.001 1.00 . A A . 19 HIS C 1 1 19 6884 1 1 19 HIS CA C 3.084 -1.634 -0.073 1.00 . A A . 19 HIS CA 1 1 19 6885 1 1 19 HIS CB C 1.707 -1.970 0.522 1.00 . A A . 19 HIS CB 1 1 19 6886 1 1 19 HIS CD2 C 0.222 -0.007 1.309 1.00 . A A . 19 HIS CD2 1 1 19 6887 1 1 19 HIS CE1 C -0.701 0.426 -0.611 1.00 . A A . 19 HIS CE1 1 1 19 6888 1 1 19 HIS CG C 0.693 -0.873 0.379 1.00 . A A . 19 HIS CG 1 1 19 6889 1 1 19 HIS H H 3.932 -2.765 1.500 1.00 . A A . 19 HIS H 1 1 19 6890 1 1 19 HIS HA H 3.100 -1.936 -1.110 1.00 . A A . 19 HIS HA 1 1 19 6891 1 1 19 HIS HB2 H 1.317 -2.847 0.027 1.00 . A A . 19 HIS HB2 1 1 19 6892 1 1 19 HIS HB3 H 1.823 -2.181 1.575 1.00 . A A . 19 HIS HB3 1 1 19 6893 1 1 19 HIS HD2 H 0.501 0.039 2.349 1.00 . A A . 19 HIS HD2 1 1 19 6894 1 1 19 HIS HE1 H -1.281 0.906 -1.382 1.00 . A A . 19 HIS HE1 1 1 19 6895 1 1 19 HIS HE2 H -1.305 1.421 1.106 1.00 . A A . 19 HIS HE2 1 1 19 6896 1 1 19 HIS N N 4.127 -2.375 0.623 1.00 . A A . 19 HIS N 1 1 19 6897 1 1 19 HIS ND1 N 0.102 -0.591 -0.827 1.00 . A A . 19 HIS ND1 1 1 19 6898 1 1 19 HIS NE2 N -0.667 0.817 0.670 1.00 . A A . 19 HIS NE2 1 1 19 6899 1 1 19 HIS O O 3.537 0.528 -1.021 1.00 . A A . 19 HIS O 1 1 19 6900 1 1 20 MET C C 4.767 2.347 0.625 1.00 . A A . 20 MET C 1 1 19 6901 1 1 20 MET CA C 3.577 1.835 1.435 1.00 . A A . 20 MET CA 1 1 19 6902 1 1 20 MET CB C 3.802 2.115 2.922 1.00 . A A . 20 MET CB 1 1 19 6903 1 1 20 MET CE C 2.957 4.217 5.993 1.00 . A A . 20 MET CE 1 1 19 6904 1 1 20 MET CG C 3.389 3.514 3.347 1.00 . A A . 20 MET CG 1 1 19 6905 1 1 20 MET H H 3.185 -0.170 1.994 1.00 . A A . 20 MET H 1 1 19 6906 1 1 20 MET HA H 2.689 2.361 1.112 1.00 . A A . 20 MET HA 1 1 19 6907 1 1 20 MET HB2 H 3.232 1.403 3.500 1.00 . A A . 20 MET HB2 1 1 19 6908 1 1 20 MET HB3 H 4.851 1.990 3.144 1.00 . A A . 20 MET HB3 1 1 19 6909 1 1 20 MET HE1 H 2.847 3.273 6.508 1.00 . A A . 20 MET HE1 1 1 19 6910 1 1 20 MET HE2 H 2.037 4.456 5.482 1.00 . A A . 20 MET HE2 1 1 19 6911 1 1 20 MET HE3 H 3.186 4.992 6.708 1.00 . A A . 20 MET HE3 1 1 19 6912 1 1 20 MET HG2 H 3.579 4.195 2.530 1.00 . A A . 20 MET HG2 1 1 19 6913 1 1 20 MET HG3 H 2.332 3.510 3.572 1.00 . A A . 20 MET HG3 1 1 19 6914 1 1 20 MET N N 3.348 0.407 1.219 1.00 . A A . 20 MET N 1 1 19 6915 1 1 20 MET O O 4.693 3.405 0.001 1.00 . A A . 20 MET O 1 1 19 6916 1 1 20 MET SD S 4.287 4.092 4.800 1.00 . A A . 20 MET SD 1 1 19 6917 1 1 21 THR C C 6.758 2.172 -1.583 1.00 . A A . 21 THR C 1 1 19 6918 1 1 21 THR CA C 7.062 1.978 -0.098 1.00 . A A . 21 THR CA 1 1 19 6919 1 1 21 THR CB C 8.154 0.921 0.077 1.00 . A A . 21 THR CB 1 1 19 6920 1 1 21 THR CG2 C 7.783 -0.426 -0.503 1.00 . A A . 21 THR CG2 1 1 19 6921 1 1 21 THR H H 5.862 0.759 1.153 1.00 . A A . 21 THR H 1 1 19 6922 1 1 21 THR HA H 7.412 2.915 0.309 1.00 . A A . 21 THR HA 1 1 19 6923 1 1 21 THR HB H 8.343 0.786 1.132 1.00 . A A . 21 THR HB 1 1 19 6924 1 1 21 THR HG1 H 10.031 0.663 -0.421 1.00 . A A . 21 THR HG1 1 1 19 6925 1 1 21 THR HG21 H 8.672 -0.915 -0.874 1.00 . A A . 21 THR HG21 1 1 19 6926 1 1 21 THR HG22 H 7.082 -0.289 -1.313 1.00 . A A . 21 THR HG22 1 1 19 6927 1 1 21 THR HG23 H 7.333 -1.037 0.265 1.00 . A A . 21 THR HG23 1 1 19 6928 1 1 21 THR N N 5.861 1.592 0.638 1.00 . A A . 21 THR N 1 1 19 6929 1 1 21 THR O O 7.453 2.914 -2.277 1.00 . A A . 21 THR O 1 1 19 6930 1 1 21 THR OG1 O 9.359 1.339 -0.541 1.00 . A A . 21 THR OG1 1 1 19 6931 1 1 22 HIS C C 3.924 2.207 -3.591 1.00 . A A . 22 HIS C 1 1 19 6932 1 1 22 HIS CA C 5.317 1.588 -3.457 1.00 . A A . 22 HIS CA 1 1 19 6933 1 1 22 HIS CB C 5.363 0.186 -4.097 1.00 . A A . 22 HIS CB 1 1 19 6934 1 1 22 HIS CD2 C 2.828 -0.338 -4.433 1.00 . A A . 22 HIS CD2 1 1 19 6935 1 1 22 HIS CE1 C 2.900 -0.855 -6.565 1.00 . A A . 22 HIS CE1 1 1 19 6936 1 1 22 HIS CG C 4.120 -0.216 -4.842 1.00 . A A . 22 HIS CG 1 1 19 6937 1 1 22 HIS H H 5.207 0.924 -1.462 1.00 . A A . 22 HIS H 1 1 19 6938 1 1 22 HIS HA H 6.025 2.222 -3.954 1.00 . A A . 22 HIS HA 1 1 19 6939 1 1 22 HIS HB2 H 6.186 0.149 -4.793 1.00 . A A . 22 HIS HB2 1 1 19 6940 1 1 22 HIS HB3 H 5.531 -0.544 -3.317 1.00 . A A . 22 HIS HB3 1 1 19 6941 1 1 22 HIS HD1 H 4.915 -0.559 -6.764 1.00 . A A . 22 HIS HD1 1 1 19 6942 1 1 22 HIS HD2 H 2.442 -0.149 -3.435 1.00 . A A . 22 HIS HD2 1 1 19 6943 1 1 22 HIS HE1 H 2.606 -1.154 -7.560 1.00 . A A . 22 HIS HE1 1 1 19 6944 1 1 22 HIS HE2 H 1.121 -0.834 -5.552 1.00 . A A . 22 HIS HE2 1 1 19 6945 1 1 22 HIS N N 5.718 1.497 -2.061 1.00 . A A . 22 HIS N 1 1 19 6946 1 1 22 HIS ND1 N 4.127 -0.550 -6.181 1.00 . A A . 22 HIS ND1 1 1 19 6947 1 1 22 HIS NE2 N 2.096 -0.736 -5.525 1.00 . A A . 22 HIS NE2 1 1 19 6948 1 1 22 HIS O O 3.367 2.282 -4.686 1.00 . A A . 22 HIS O 1 1 19 6949 1 1 23 CYS C C 1.934 4.341 -1.444 1.00 . A A . 23 CYS C 1 1 19 6950 1 1 23 CYS CA C 2.029 3.205 -2.461 1.00 . A A . 23 CYS CA 1 1 19 6951 1 1 23 CYS CB C 1.031 2.104 -2.110 1.00 . A A . 23 CYS CB 1 1 19 6952 1 1 23 CYS H H 3.834 2.533 -1.625 1.00 . A A . 23 CYS H 1 1 19 6953 1 1 23 CYS HA H 1.811 3.584 -3.447 1.00 . A A . 23 CYS HA 1 1 19 6954 1 1 23 CYS HB2 H 1.545 1.343 -1.542 1.00 . A A . 23 CYS HB2 1 1 19 6955 1 1 23 CYS HB3 H 0.249 2.521 -1.501 1.00 . A A . 23 CYS HB3 1 1 19 6956 1 1 23 CYS N N 3.358 2.630 -2.471 1.00 . A A . 23 CYS N 1 1 19 6957 1 1 23 CYS O O 1.050 4.353 -0.587 1.00 . A A . 23 CYS O 1 1 19 6958 1 1 23 CYS SG S 0.260 1.279 -3.545 1.00 . A A . 23 CYS SG 1 1 19 6959 1 1 24 ALA C C 1.575 7.227 -0.716 1.00 . A A . 24 ALA C 1 1 19 6960 1 1 24 ALA CA C 2.876 6.436 -0.639 1.00 . A A . 24 ALA CA 1 1 19 6961 1 1 24 ALA CB C 4.062 7.336 -0.953 1.00 . A A . 24 ALA CB 1 1 19 6962 1 1 24 ALA H H 3.533 5.231 -2.250 1.00 . A A . 24 ALA H 1 1 19 6963 1 1 24 ALA HA H 2.998 6.058 0.366 1.00 . A A . 24 ALA HA 1 1 19 6964 1 1 24 ALA HB1 H 4.950 6.937 -0.486 1.00 . A A . 24 ALA HB1 1 1 19 6965 1 1 24 ALA HB2 H 3.871 8.328 -0.573 1.00 . A A . 24 ALA HB2 1 1 19 6966 1 1 24 ALA HB3 H 4.207 7.380 -2.022 1.00 . A A . 24 ALA HB3 1 1 19 6967 1 1 24 ALA N N 2.853 5.296 -1.547 1.00 . A A . 24 ALA N 1 1 19 6968 1 1 24 ALA O O 0.656 6.859 -1.448 1.00 . A A . 24 ALA O 1 1 19 6969 1 1 25 LYS C C 0.671 10.608 -0.252 1.00 . A A . 25 LYS C 1 1 19 6970 1 1 25 LYS CA C 0.315 9.159 0.062 1.00 . A A . 25 LYS CA 1 1 19 6971 1 1 25 LYS CB C -0.374 9.075 1.425 1.00 . A A . 25 LYS CB 1 1 19 6972 1 1 25 LYS CD C -1.839 10.480 2.908 1.00 . A A . 25 LYS CD 1 1 19 6973 1 1 25 LYS CE C -3.300 10.456 3.325 1.00 . A A . 25 LYS CE 1 1 19 6974 1 1 25 LYS CG C -1.647 9.901 1.515 1.00 . A A . 25 LYS CG 1 1 19 6975 1 1 25 LYS H H 2.270 8.555 0.606 1.00 . A A . 25 LYS H 1 1 19 6976 1 1 25 LYS HA H -0.361 8.795 -0.696 1.00 . A A . 25 LYS HA 1 1 19 6977 1 1 25 LYS HB2 H -0.624 8.044 1.627 1.00 . A A . 25 LYS HB2 1 1 19 6978 1 1 25 LYS HB3 H 0.311 9.425 2.184 1.00 . A A . 25 LYS HB3 1 1 19 6979 1 1 25 LYS HD2 H -1.265 9.897 3.612 1.00 . A A . 25 LYS HD2 1 1 19 6980 1 1 25 LYS HD3 H -1.488 11.501 2.914 1.00 . A A . 25 LYS HD3 1 1 19 6981 1 1 25 LYS HE2 H -3.710 9.482 3.101 1.00 . A A . 25 LYS HE2 1 1 19 6982 1 1 25 LYS HE3 H -3.361 10.634 4.389 1.00 . A A . 25 LYS HE3 1 1 19 6983 1 1 25 LYS HG2 H -1.591 10.711 0.805 1.00 . A A . 25 LYS HG2 1 1 19 6984 1 1 25 LYS HG3 H -2.491 9.269 1.278 1.00 . A A . 25 LYS HG3 1 1 19 6985 1 1 25 LYS HZ1 H -4.065 12.390 3.136 1.00 . A A . 25 LYS HZ1 1 1 19 6986 1 1 25 LYS HZ2 H -5.089 11.187 2.532 1.00 . A A . 25 LYS HZ2 1 1 19 6987 1 1 25 LYS HZ3 H -3.715 11.644 1.658 1.00 . A A . 25 LYS HZ3 1 1 19 6988 1 1 25 LYS N N 1.504 8.315 0.044 1.00 . A A . 25 LYS N 1 1 19 6989 1 1 25 LYS NZ N -4.098 11.492 2.613 1.00 . A A . 25 LYS NZ 1 1 19 6990 1 1 25 LYS O O 1.610 11.137 0.383 1.00 . A A . 25 LYS O 1 1 19 6991 1 1 25 LYS OXT O 0.011 11.202 -1.130 1.00 . A A . 25 LYS OXT 1 1 19 6992 2 2 1 ZN ZN ZN -0.236 -0.851 -2.768 1.00 . B A . 26 ZN ZN 1 1 20 6993 1 1 1 ARG C C -2.268 -0.660 6.173 1.00 . A A . 1 ARG C 1 1 20 6994 1 1 1 ARG CA C -2.222 -0.552 7.695 1.00 . A A . 1 ARG CA 1 1 20 6995 1 1 1 ARG CB C -3.321 0.389 8.190 1.00 . A A . 1 ARG CB 1 1 20 6996 1 1 1 ARG CD C -4.731 -0.629 10.004 1.00 . A A . 1 ARG CD 1 1 20 6997 1 1 1 ARG CG C -4.625 -0.318 8.520 1.00 . A A . 1 ARG CG 1 1 20 6998 1 1 1 ARG CZ C -5.104 -3.062 10.110 1.00 . A A . 1 ARG CZ 1 1 20 6999 1 1 1 ARG H1 H -0.654 0.772 7.547 1.00 . A A . 1 ARG H1 1 1 20 7000 1 1 1 ARG H2 H -0.215 -0.802 8.072 1.00 . A A . 1 ARG H2 1 1 20 7001 1 1 1 ARG H3 H -1.017 0.271 9.145 1.00 . A A . 1 ARG H3 1 1 20 7002 1 1 1 ARG HA H -2.373 -1.532 8.122 1.00 . A A . 1 ARG HA 1 1 20 7003 1 1 1 ARG HB2 H -2.974 0.892 9.081 1.00 . A A . 1 ARG HB2 1 1 20 7004 1 1 1 ARG HB3 H -3.520 1.126 7.426 1.00 . A A . 1 ARG HB3 1 1 20 7005 1 1 1 ARG HD2 H -4.093 0.052 10.548 1.00 . A A . 1 ARG HD2 1 1 20 7006 1 1 1 ARG HD3 H -5.755 -0.488 10.316 1.00 . A A . 1 ARG HD3 1 1 20 7007 1 1 1 ARG HE H -3.430 -2.137 10.678 1.00 . A A . 1 ARG HE 1 1 20 7008 1 1 1 ARG HG2 H -5.450 0.316 8.236 1.00 . A A . 1 ARG HG2 1 1 20 7009 1 1 1 ARG HG3 H -4.671 -1.244 7.963 1.00 . A A . 1 ARG HG3 1 1 20 7010 1 1 1 ARG HH11 H -6.666 -2.006 9.379 1.00 . A A . 1 ARG HH11 1 1 20 7011 1 1 1 ARG HH12 H -6.903 -3.719 9.464 1.00 . A A . 1 ARG HH12 1 1 20 7012 1 1 1 ARG HH21 H -3.739 -4.389 10.789 1.00 . A A . 1 ARG HH21 1 1 20 7013 1 1 1 ARG HH22 H -5.242 -5.073 10.265 1.00 . A A . 1 ARG HH22 1 1 20 7014 1 1 1 ARG N N -0.908 -0.031 8.157 1.00 . A A . 1 ARG N 1 1 20 7015 1 1 1 ARG NE N -4.327 -2.000 10.307 1.00 . A A . 1 ARG NE 1 1 20 7016 1 1 1 ARG NH1 N -6.324 -2.917 9.610 1.00 . A A . 1 ARG NH1 1 1 20 7017 1 1 1 ARG NH2 N -4.658 -4.275 10.413 1.00 . A A . 1 ARG NH2 1 1 20 7018 1 1 1 ARG O O -2.300 0.350 5.470 1.00 . A A . 1 ARG O 1 1 20 7019 1 1 2 VAL C C -3.755 -2.220 3.737 1.00 . A A . 2 VAL C 1 1 20 7020 1 1 2 VAL CA C -2.315 -2.130 4.235 1.00 . A A . 2 VAL CA 1 1 20 7021 1 1 2 VAL CB C -1.560 -3.422 3.859 1.00 . A A . 2 VAL CB 1 1 20 7022 1 1 2 VAL CG1 C -2.197 -4.631 4.530 1.00 . A A . 2 VAL CG1 1 1 20 7023 1 1 2 VAL CG2 C -1.516 -3.600 2.348 1.00 . A A . 2 VAL CG2 1 1 20 7024 1 1 2 VAL H H -2.245 -2.656 6.284 1.00 . A A . 2 VAL H 1 1 20 7025 1 1 2 VAL HA H -1.828 -1.300 3.745 1.00 . A A . 2 VAL HA 1 1 20 7026 1 1 2 VAL HB H -0.545 -3.336 4.218 1.00 . A A . 2 VAL HB 1 1 20 7027 1 1 2 VAL HG11 H -3.216 -4.399 4.800 1.00 . A A . 2 VAL HG11 1 1 20 7028 1 1 2 VAL HG12 H -1.638 -4.887 5.418 1.00 . A A . 2 VAL HG12 1 1 20 7029 1 1 2 VAL HG13 H -2.188 -5.468 3.847 1.00 . A A . 2 VAL HG13 1 1 20 7030 1 1 2 VAL HG21 H -2.254 -2.960 1.887 1.00 . A A . 2 VAL HG21 1 1 20 7031 1 1 2 VAL HG22 H -1.728 -4.629 2.098 1.00 . A A . 2 VAL HG22 1 1 20 7032 1 1 2 VAL HG23 H -0.535 -3.336 1.982 1.00 . A A . 2 VAL HG23 1 1 20 7033 1 1 2 VAL N N -2.272 -1.891 5.672 1.00 . A A . 2 VAL N 1 1 20 7034 1 1 2 VAL O O -4.138 -3.187 3.077 1.00 . A A . 2 VAL O 1 1 20 7035 1 1 3 ILE C C -6.250 0.103 2.853 1.00 . A A . 3 ILE C 1 1 20 7036 1 1 3 ILE CA C -5.948 -1.166 3.645 1.00 . A A . 3 ILE CA 1 1 20 7037 1 1 3 ILE CB C -6.894 -1.252 4.860 1.00 . A A . 3 ILE CB 1 1 20 7038 1 1 3 ILE CD1 C -9.160 -2.343 5.257 1.00 . A A . 3 ILE CD1 1 1 20 7039 1 1 3 ILE CG1 C -8.346 -1.402 4.397 1.00 . A A . 3 ILE CG1 1 1 20 7040 1 1 3 ILE CG2 C -6.738 -0.025 5.747 1.00 . A A . 3 ILE CG2 1 1 20 7041 1 1 3 ILE H H -4.188 -0.462 4.586 1.00 . A A . 3 ILE H 1 1 20 7042 1 1 3 ILE HA H -6.130 -2.024 3.012 1.00 . A A . 3 ILE HA 1 1 20 7043 1 1 3 ILE HB H -6.620 -2.120 5.439 1.00 . A A . 3 ILE HB 1 1 20 7044 1 1 3 ILE HD11 H -10.125 -2.505 4.800 1.00 . A A . 3 ILE HD11 1 1 20 7045 1 1 3 ILE HD12 H -9.295 -1.909 6.237 1.00 . A A . 3 ILE HD12 1 1 20 7046 1 1 3 ILE HD13 H -8.641 -3.286 5.350 1.00 . A A . 3 ILE HD13 1 1 20 7047 1 1 3 ILE HG12 H -8.826 -0.434 4.419 1.00 . A A . 3 ILE HG12 1 1 20 7048 1 1 3 ILE HG13 H -8.357 -1.782 3.386 1.00 . A A . 3 ILE HG13 1 1 20 7049 1 1 3 ILE HG21 H -6.939 -0.296 6.774 1.00 . A A . 3 ILE HG21 1 1 20 7050 1 1 3 ILE HG22 H -7.435 0.738 5.434 1.00 . A A . 3 ILE HG22 1 1 20 7051 1 1 3 ILE HG23 H -5.730 0.353 5.666 1.00 . A A . 3 ILE HG23 1 1 20 7052 1 1 3 ILE N N -4.549 -1.205 4.058 1.00 . A A . 3 ILE N 1 1 20 7053 1 1 3 ILE O O -7.366 0.623 2.892 1.00 . A A . 3 ILE O 1 1 20 7054 1 1 4 ALA C C -4.862 1.602 -0.079 1.00 . A A . 4 ALA C 1 1 20 7055 1 1 4 ALA CA C -5.404 1.805 1.332 1.00 . A A . 4 ALA CA 1 1 20 7056 1 1 4 ALA CB C -4.705 2.977 2.003 1.00 . A A . 4 ALA CB 1 1 20 7057 1 1 4 ALA H H -4.381 0.138 2.142 1.00 . A A . 4 ALA H 1 1 20 7058 1 1 4 ALA HA H -6.459 2.030 1.272 1.00 . A A . 4 ALA HA 1 1 20 7059 1 1 4 ALA HB1 H -3.716 3.093 1.587 1.00 . A A . 4 ALA HB1 1 1 20 7060 1 1 4 ALA HB2 H -4.629 2.791 3.064 1.00 . A A . 4 ALA HB2 1 1 20 7061 1 1 4 ALA HB3 H -5.275 3.879 1.836 1.00 . A A . 4 ALA HB3 1 1 20 7062 1 1 4 ALA N N -5.248 0.597 2.133 1.00 . A A . 4 ALA N 1 1 20 7063 1 1 4 ALA O O -4.386 2.542 -0.714 1.00 . A A . 4 ALA O 1 1 20 7064 1 1 5 CYS C C -5.620 -0.205 -2.854 1.00 . A A . 5 CYS C 1 1 20 7065 1 1 5 CYS CA C -4.456 0.039 -1.900 1.00 . A A . 5 CYS CA 1 1 20 7066 1 1 5 CYS CB C -3.555 -1.198 -1.851 1.00 . A A . 5 CYS CB 1 1 20 7067 1 1 5 CYS H H -5.329 -0.341 -0.010 1.00 . A A . 5 CYS H 1 1 20 7068 1 1 5 CYS HA H -3.880 0.878 -2.260 1.00 . A A . 5 CYS HA 1 1 20 7069 1 1 5 CYS HB2 H -2.886 -1.113 -1.009 1.00 . A A . 5 CYS HB2 1 1 20 7070 1 1 5 CYS HB3 H -4.170 -2.077 -1.727 1.00 . A A . 5 CYS HB3 1 1 20 7071 1 1 5 CYS N N -4.938 0.366 -0.564 1.00 . A A . 5 CYS N 1 1 20 7072 1 1 5 CYS O O -6.611 -0.840 -2.491 1.00 . A A . 5 CYS O 1 1 20 7073 1 1 5 CYS SG S -2.540 -1.438 -3.345 1.00 . A A . 5 CYS SG 1 1 20 7074 1 1 6 PHE C C -6.211 -1.017 -6.021 1.00 . A A . 6 PHE C 1 1 20 7075 1 1 6 PHE CA C -6.538 0.142 -5.083 1.00 . A A . 6 PHE CA 1 1 20 7076 1 1 6 PHE CB C -6.706 1.432 -5.887 1.00 . A A . 6 PHE CB 1 1 20 7077 1 1 6 PHE CD1 C -4.829 1.530 -7.547 1.00 . A A . 6 PHE CD1 1 1 20 7078 1 1 6 PHE CD2 C -4.770 3.015 -5.683 1.00 . A A . 6 PHE CD2 1 1 20 7079 1 1 6 PHE CE1 C -3.635 2.054 -8.007 1.00 . A A . 6 PHE CE1 1 1 20 7080 1 1 6 PHE CE2 C -3.577 3.544 -6.137 1.00 . A A . 6 PHE CE2 1 1 20 7081 1 1 6 PHE CG C -5.409 2.004 -6.382 1.00 . A A . 6 PHE CG 1 1 20 7082 1 1 6 PHE CZ C -3.009 3.063 -7.300 1.00 . A A . 6 PHE CZ 1 1 20 7083 1 1 6 PHE H H -4.682 0.800 -4.306 1.00 . A A . 6 PHE H 1 1 20 7084 1 1 6 PHE HA H -7.463 -0.077 -4.570 1.00 . A A . 6 PHE HA 1 1 20 7085 1 1 6 PHE HB2 H -7.332 1.235 -6.745 1.00 . A A . 6 PHE HB2 1 1 20 7086 1 1 6 PHE HB3 H -7.182 2.175 -5.264 1.00 . A A . 6 PHE HB3 1 1 20 7087 1 1 6 PHE HD1 H -5.318 0.743 -8.101 1.00 . A A . 6 PHE HD1 1 1 20 7088 1 1 6 PHE HD2 H -5.214 3.392 -4.774 1.00 . A A . 6 PHE HD2 1 1 20 7089 1 1 6 PHE HE1 H -3.192 1.677 -8.916 1.00 . A A . 6 PHE HE1 1 1 20 7090 1 1 6 PHE HE2 H -3.089 4.333 -5.583 1.00 . A A . 6 PHE HE2 1 1 20 7091 1 1 6 PHE HZ H -2.076 3.475 -7.657 1.00 . A A . 6 PHE HZ 1 1 20 7092 1 1 6 PHE N N -5.495 0.304 -4.075 1.00 . A A . 6 PHE N 1 1 20 7093 1 1 6 PHE O O -6.512 -0.967 -7.213 1.00 . A A . 6 PHE O 1 1 20 7094 1 1 7 LEU C C -5.545 -4.514 -5.497 1.00 . A A . 7 LEU C 1 1 20 7095 1 1 7 LEU CA C -5.222 -3.229 -6.257 1.00 . A A . 7 LEU CA 1 1 20 7096 1 1 7 LEU CB C -3.732 -3.178 -6.605 1.00 . A A . 7 LEU CB 1 1 20 7097 1 1 7 LEU CD1 C -1.697 -1.741 -6.887 1.00 . A A . 7 LEU CD1 1 1 20 7098 1 1 7 LEU CD2 C -3.634 -1.481 -8.447 1.00 . A A . 7 LEU CD2 1 1 20 7099 1 1 7 LEU CG C -3.211 -1.801 -7.021 1.00 . A A . 7 LEU CG 1 1 20 7100 1 1 7 LEU H H -5.379 -2.037 -4.517 1.00 . A A . 7 LEU H 1 1 20 7101 1 1 7 LEU HA H -5.797 -3.210 -7.171 1.00 . A A . 7 LEU HA 1 1 20 7102 1 1 7 LEU HB2 H -3.171 -3.507 -5.743 1.00 . A A . 7 LEU HB2 1 1 20 7103 1 1 7 LEU HB3 H -3.549 -3.866 -7.417 1.00 . A A . 7 LEU HB3 1 1 20 7104 1 1 7 LEU HD11 H -1.284 -2.731 -7.012 1.00 . A A . 7 LEU HD11 1 1 20 7105 1 1 7 LEU HD12 H -1.438 -1.365 -5.908 1.00 . A A . 7 LEU HD12 1 1 20 7106 1 1 7 LEU HD13 H -1.294 -1.084 -7.643 1.00 . A A . 7 LEU HD13 1 1 20 7107 1 1 7 LEU HD21 H -4.700 -1.621 -8.546 1.00 . A A . 7 LEU HD21 1 1 20 7108 1 1 7 LEU HD22 H -3.119 -2.138 -9.132 1.00 . A A . 7 LEU HD22 1 1 20 7109 1 1 7 LEU HD23 H -3.383 -0.455 -8.675 1.00 . A A . 7 LEU HD23 1 1 20 7110 1 1 7 LEU HG H -3.634 -1.051 -6.369 1.00 . A A . 7 LEU HG 1 1 20 7111 1 1 7 LEU N N -5.592 -2.057 -5.472 1.00 . A A . 7 LEU N 1 1 20 7112 1 1 7 LEU O O -6.359 -4.509 -4.573 1.00 . A A . 7 LEU O 1 1 20 7113 1 1 8 LYS C C -3.804 -7.602 -4.962 1.00 . A A . 8 LYS C 1 1 20 7114 1 1 8 LYS CA C -5.128 -6.899 -5.239 1.00 . A A . 8 LYS CA 1 1 20 7115 1 1 8 LYS CB C -6.018 -7.787 -6.111 1.00 . A A . 8 LYS CB 1 1 20 7116 1 1 8 LYS CD C -7.988 -7.601 -7.660 1.00 . A A . 8 LYS CD 1 1 20 7117 1 1 8 LYS CE C -7.778 -6.475 -8.658 1.00 . A A . 8 LYS CE 1 1 20 7118 1 1 8 LYS CG C -7.426 -7.244 -6.293 1.00 . A A . 8 LYS CG 1 1 20 7119 1 1 8 LYS H H -4.267 -5.557 -6.630 1.00 . A A . 8 LYS H 1 1 20 7120 1 1 8 LYS HA H -5.628 -6.714 -4.300 1.00 . A A . 8 LYS HA 1 1 20 7121 1 1 8 LYS HB2 H -5.564 -7.884 -7.087 1.00 . A A . 8 LYS HB2 1 1 20 7122 1 1 8 LYS HB3 H -6.087 -8.763 -5.657 1.00 . A A . 8 LYS HB3 1 1 20 7123 1 1 8 LYS HD2 H -7.491 -8.488 -8.022 1.00 . A A . 8 LYS HD2 1 1 20 7124 1 1 8 LYS HD3 H -9.047 -7.792 -7.563 1.00 . A A . 8 LYS HD3 1 1 20 7125 1 1 8 LYS HE2 H -8.564 -5.745 -8.531 1.00 . A A . 8 LYS HE2 1 1 20 7126 1 1 8 LYS HE3 H -6.822 -6.012 -8.463 1.00 . A A . 8 LYS HE3 1 1 20 7127 1 1 8 LYS HG2 H -8.065 -7.667 -5.531 1.00 . A A . 8 LYS HG2 1 1 20 7128 1 1 8 LYS HG3 H -7.404 -6.170 -6.191 1.00 . A A . 8 LYS HG3 1 1 20 7129 1 1 8 LYS HZ1 H -7.893 -6.168 -10.722 1.00 . A A . 8 LYS HZ1 1 1 20 7130 1 1 8 LYS HZ2 H -8.604 -7.612 -10.205 1.00 . A A . 8 LYS HZ2 1 1 20 7131 1 1 8 LYS HZ3 H -6.920 -7.479 -10.277 1.00 . A A . 8 LYS HZ3 1 1 20 7132 1 1 8 LYS N N -4.904 -5.612 -5.888 1.00 . A A . 8 LYS N 1 1 20 7133 1 1 8 LYS NZ N -7.800 -6.968 -10.064 1.00 . A A . 8 LYS NZ 1 1 20 7134 1 1 8 LYS O O -3.579 -8.114 -3.865 1.00 . A A . 8 LYS O 1 1 20 7135 1 1 9 VAL C C -0.723 -7.456 -4.882 1.00 . A A . 9 VAL C 1 1 20 7136 1 1 9 VAL CA C -1.623 -8.257 -5.821 1.00 . A A . 9 VAL CA 1 1 20 7137 1 1 9 VAL CB C -0.924 -8.412 -7.185 1.00 . A A . 9 VAL CB 1 1 20 7138 1 1 9 VAL CG1 C -0.680 -7.053 -7.824 1.00 . A A . 9 VAL CG1 1 1 20 7139 1 1 9 VAL CG2 C 0.380 -9.182 -7.035 1.00 . A A . 9 VAL CG2 1 1 20 7140 1 1 9 VAL H H -3.161 -7.192 -6.811 1.00 . A A . 9 VAL H 1 1 20 7141 1 1 9 VAL HA H -1.776 -9.241 -5.403 1.00 . A A . 9 VAL HA 1 1 20 7142 1 1 9 VAL HB H -1.576 -8.976 -7.837 1.00 . A A . 9 VAL HB 1 1 20 7143 1 1 9 VAL HG11 H -0.221 -6.393 -7.101 1.00 . A A . 9 VAL HG11 1 1 20 7144 1 1 9 VAL HG12 H -1.620 -6.632 -8.148 1.00 . A A . 9 VAL HG12 1 1 20 7145 1 1 9 VAL HG13 H -0.024 -7.167 -8.673 1.00 . A A . 9 VAL HG13 1 1 20 7146 1 1 9 VAL HG21 H 1.164 -8.505 -6.731 1.00 . A A . 9 VAL HG21 1 1 20 7147 1 1 9 VAL HG22 H 0.641 -9.634 -7.981 1.00 . A A . 9 VAL HG22 1 1 20 7148 1 1 9 VAL HG23 H 0.259 -9.953 -6.289 1.00 . A A . 9 VAL HG23 1 1 20 7149 1 1 9 VAL N N -2.927 -7.620 -5.960 1.00 . A A . 9 VAL N 1 1 20 7150 1 1 9 VAL O O 0.152 -8.013 -4.220 1.00 . A A . 9 VAL O 1 1 20 7151 1 1 10 CYS C C -0.736 -5.220 -2.566 1.00 . A A . 10 CYS C 1 1 20 7152 1 1 10 CYS CA C -0.158 -5.267 -3.977 1.00 . A A . 10 CYS CA 1 1 20 7153 1 1 10 CYS CB C -0.108 -3.856 -4.569 1.00 . A A . 10 CYS CB 1 1 20 7154 1 1 10 CYS H H -1.658 -5.761 -5.385 1.00 . A A . 10 CYS H 1 1 20 7155 1 1 10 CYS HA H 0.845 -5.663 -3.929 1.00 . A A . 10 CYS HA 1 1 20 7156 1 1 10 CYS HB2 H 0.263 -3.912 -5.581 1.00 . A A . 10 CYS HB2 1 1 20 7157 1 1 10 CYS HB3 H -1.106 -3.444 -4.578 1.00 . A A . 10 CYS HB3 1 1 20 7158 1 1 10 CYS N N -0.946 -6.146 -4.833 1.00 . A A . 10 CYS N 1 1 20 7159 1 1 10 CYS O O 0.000 -5.262 -1.581 1.00 . A A . 10 CYS O 1 1 20 7160 1 1 10 CYS SG S 0.961 -2.702 -3.650 1.00 . A A . 10 CYS SG 1 1 20 7161 1 1 11 ALA C C -2.760 -6.447 -0.521 1.00 . A A . 11 ALA C 1 1 20 7162 1 1 11 ALA CA C -2.737 -5.076 -1.188 1.00 . A A . 11 ALA CA 1 1 20 7163 1 1 11 ALA CB C -4.152 -4.546 -1.359 1.00 . A A . 11 ALA CB 1 1 20 7164 1 1 11 ALA H H -2.592 -5.099 -3.299 1.00 . A A . 11 ALA H 1 1 20 7165 1 1 11 ALA HA H -2.195 -4.388 -0.556 1.00 . A A . 11 ALA HA 1 1 20 7166 1 1 11 ALA HB1 H -4.223 -3.998 -2.285 1.00 . A A . 11 ALA HB1 1 1 20 7167 1 1 11 ALA HB2 H -4.394 -3.893 -0.534 1.00 . A A . 11 ALA HB2 1 1 20 7168 1 1 11 ALA HB3 H -4.846 -5.374 -1.377 1.00 . A A . 11 ALA HB3 1 1 20 7169 1 1 11 ALA N N -2.059 -5.130 -2.478 1.00 . A A . 11 ALA N 1 1 20 7170 1 1 11 ALA O O -2.557 -6.565 0.687 1.00 . A A . 11 ALA O 1 1 20 7171 1 1 12 ALA C C -1.671 -9.487 -0.755 1.00 . A A . 12 ALA C 1 1 20 7172 1 1 12 ALA CA C -3.059 -8.850 -0.807 1.00 . A A . 12 ALA CA 1 1 20 7173 1 1 12 ALA CB C -3.995 -9.694 -1.659 1.00 . A A . 12 ALA CB 1 1 20 7174 1 1 12 ALA H H -3.161 -7.325 -2.272 1.00 . A A . 12 ALA H 1 1 20 7175 1 1 12 ALA HA H -3.462 -8.814 0.195 1.00 . A A . 12 ALA HA 1 1 20 7176 1 1 12 ALA HB1 H -4.520 -10.397 -1.029 1.00 . A A . 12 ALA HB1 1 1 20 7177 1 1 12 ALA HB2 H -3.420 -10.231 -2.399 1.00 . A A . 12 ALA HB2 1 1 20 7178 1 1 12 ALA HB3 H -4.708 -9.051 -2.154 1.00 . A A . 12 ALA HB3 1 1 20 7179 1 1 12 ALA N N -3.008 -7.483 -1.317 1.00 . A A . 12 ALA N 1 1 20 7180 1 1 12 ALA O O -1.524 -10.687 -0.987 1.00 . A A . 12 ALA O 1 1 20 7181 1 1 13 ALA C C 1.135 -9.443 1.073 1.00 . A A . 13 ALA C 1 1 20 7182 1 1 13 ALA CA C 0.714 -9.184 -0.373 1.00 . A A . 13 ALA CA 1 1 20 7183 1 1 13 ALA CB C 1.670 -8.203 -1.034 1.00 . A A . 13 ALA CB 1 1 20 7184 1 1 13 ALA H H -0.826 -7.739 -0.275 1.00 . A A . 13 ALA H 1 1 20 7185 1 1 13 ALA HA H 0.758 -10.115 -0.919 1.00 . A A . 13 ALA HA 1 1 20 7186 1 1 13 ALA HB1 H 1.318 -7.195 -0.874 1.00 . A A . 13 ALA HB1 1 1 20 7187 1 1 13 ALA HB2 H 1.716 -8.404 -2.094 1.00 . A A . 13 ALA HB2 1 1 20 7188 1 1 13 ALA HB3 H 2.654 -8.314 -0.603 1.00 . A A . 13 ALA HB3 1 1 20 7189 1 1 13 ALA N N -0.654 -8.685 -0.451 1.00 . A A . 13 ALA N 1 1 20 7190 1 1 13 ALA O O 2.256 -9.884 1.329 1.00 . A A . 13 ALA O 1 1 20 7191 1 1 14 ALA C C 1.753 -8.587 3.863 1.00 . A A . 14 ALA C 1 1 20 7192 1 1 14 ALA CA C 0.523 -9.376 3.429 1.00 . A A . 14 ALA CA 1 1 20 7193 1 1 14 ALA CB C 0.716 -10.858 3.716 1.00 . A A . 14 ALA CB 1 1 20 7194 1 1 14 ALA H H -0.641 -8.821 1.753 1.00 . A A . 14 ALA H 1 1 20 7195 1 1 14 ALA HA H -0.330 -9.032 3.996 1.00 . A A . 14 ALA HA 1 1 20 7196 1 1 14 ALA HB1 H 1.748 -11.126 3.547 1.00 . A A . 14 ALA HB1 1 1 20 7197 1 1 14 ALA HB2 H 0.081 -11.437 3.062 1.00 . A A . 14 ALA HB2 1 1 20 7198 1 1 14 ALA HB3 H 0.454 -11.062 4.745 1.00 . A A . 14 ALA HB3 1 1 20 7199 1 1 14 ALA N N 0.235 -9.170 2.015 1.00 . A A . 14 ALA N 1 1 20 7200 1 1 14 ALA O O 2.484 -9.002 4.763 1.00 . A A . 14 ALA O 1 1 20 7201 1 1 15 ASN C C 2.738 -5.124 3.471 1.00 . A A . 15 ASN C 1 1 20 7202 1 1 15 ASN CA C 3.120 -6.600 3.537 1.00 . A A . 15 ASN CA 1 1 20 7203 1 1 15 ASN CB C 4.276 -6.883 2.577 1.00 . A A . 15 ASN CB 1 1 20 7204 1 1 15 ASN CG C 5.627 -6.810 3.261 1.00 . A A . 15 ASN CG 1 1 20 7205 1 1 15 ASN H H 1.359 -7.169 2.510 1.00 . A A . 15 ASN H 1 1 20 7206 1 1 15 ASN HA H 3.434 -6.832 4.544 1.00 . A A . 15 ASN HA 1 1 20 7207 1 1 15 ASN HB2 H 4.157 -7.873 2.162 1.00 . A A . 15 ASN HB2 1 1 20 7208 1 1 15 ASN HB3 H 4.258 -6.157 1.777 1.00 . A A . 15 ASN HB3 1 1 20 7209 1 1 15 ASN HD21 H 5.840 -8.780 3.108 1.00 . A A . 15 ASN HD21 1 1 20 7210 1 1 15 ASN HD22 H 7.144 -7.941 3.870 1.00 . A A . 15 ASN HD22 1 1 20 7211 1 1 15 ASN N N 1.977 -7.448 3.218 1.00 . A A . 15 ASN N 1 1 20 7212 1 1 15 ASN ND2 N 6.268 -7.960 3.431 1.00 . A A . 15 ASN ND2 1 1 20 7213 1 1 15 ASN O O 2.547 -4.570 2.389 1.00 . A A . 15 ASN O 1 1 20 7214 1 1 15 ASN OD1 O 6.089 -5.730 3.633 1.00 . A A . 15 ASN OD1 1 1 20 7215 1 1 16 VAL C C 3.406 -2.198 4.213 1.00 . A A . 16 VAL C 1 1 20 7216 1 1 16 VAL CA C 2.268 -3.084 4.710 1.00 . A A . 16 VAL CA 1 1 20 7217 1 1 16 VAL CB C 1.905 -2.672 6.149 1.00 . A A . 16 VAL CB 1 1 20 7218 1 1 16 VAL CG1 C 1.346 -1.258 6.176 1.00 . A A . 16 VAL CG1 1 1 20 7219 1 1 16 VAL CG2 C 0.915 -3.657 6.753 1.00 . A A . 16 VAL CG2 1 1 20 7220 1 1 16 VAL H H 2.792 -4.990 5.466 1.00 . A A . 16 VAL H 1 1 20 7221 1 1 16 VAL HA H 1.402 -2.926 4.084 1.00 . A A . 16 VAL HA 1 1 20 7222 1 1 16 VAL HB H 2.806 -2.688 6.745 1.00 . A A . 16 VAL HB 1 1 20 7223 1 1 16 VAL HG11 H 0.274 -1.292 6.047 1.00 . A A . 16 VAL HG11 1 1 20 7224 1 1 16 VAL HG12 H 1.786 -0.681 5.375 1.00 . A A . 16 VAL HG12 1 1 20 7225 1 1 16 VAL HG13 H 1.580 -0.795 7.123 1.00 . A A . 16 VAL HG13 1 1 20 7226 1 1 16 VAL HG21 H 0.243 -3.131 7.414 1.00 . A A . 16 VAL HG21 1 1 20 7227 1 1 16 VAL HG22 H 1.452 -4.410 7.310 1.00 . A A . 16 VAL HG22 1 1 20 7228 1 1 16 VAL HG23 H 0.350 -4.127 5.963 1.00 . A A . 16 VAL HG23 1 1 20 7229 1 1 16 VAL N N 2.628 -4.494 4.635 1.00 . A A . 16 VAL N 1 1 20 7230 1 1 16 VAL O O 3.199 -1.310 3.387 1.00 . A A . 16 VAL O 1 1 20 7231 1 1 17 ALA C C 6.036 -1.790 2.829 1.00 . A A . 17 ALA C 1 1 20 7232 1 1 17 ALA CA C 5.779 -1.672 4.327 1.00 . A A . 17 ALA CA 1 1 20 7233 1 1 17 ALA CB C 7.000 -2.124 5.113 1.00 . A A . 17 ALA CB 1 1 20 7234 1 1 17 ALA H H 4.712 -3.169 5.376 1.00 . A A . 17 ALA H 1 1 20 7235 1 1 17 ALA HA H 5.588 -0.636 4.568 1.00 . A A . 17 ALA HA 1 1 20 7236 1 1 17 ALA HB1 H 6.897 -3.168 5.369 1.00 . A A . 17 ALA HB1 1 1 20 7237 1 1 17 ALA HB2 H 7.084 -1.538 6.017 1.00 . A A . 17 ALA HB2 1 1 20 7238 1 1 17 ALA HB3 H 7.886 -1.987 4.511 1.00 . A A . 17 ALA HB3 1 1 20 7239 1 1 17 ALA N N 4.609 -2.447 4.721 1.00 . A A . 17 ALA N 1 1 20 7240 1 1 17 ALA O O 6.246 -0.788 2.145 1.00 . A A . 17 ALA O 1 1 20 7241 1 1 18 ALA C C 5.249 -2.497 0.049 1.00 . A A . 18 ALA C 1 1 20 7242 1 1 18 ALA CA C 6.249 -3.265 0.906 1.00 . A A . 18 ALA CA 1 1 20 7243 1 1 18 ALA CB C 6.167 -4.755 0.609 1.00 . A A . 18 ALA CB 1 1 20 7244 1 1 18 ALA H H 5.846 -3.778 2.919 1.00 . A A . 18 ALA H 1 1 20 7245 1 1 18 ALA HA H 7.247 -2.929 0.666 1.00 . A A . 18 ALA HA 1 1 20 7246 1 1 18 ALA HB1 H 6.512 -5.313 1.467 1.00 . A A . 18 ALA HB1 1 1 20 7247 1 1 18 ALA HB2 H 6.787 -4.987 -0.244 1.00 . A A . 18 ALA HB2 1 1 20 7248 1 1 18 ALA HB3 H 5.144 -5.024 0.393 1.00 . A A . 18 ALA HB3 1 1 20 7249 1 1 18 ALA N N 6.019 -3.019 2.324 1.00 . A A . 18 ALA N 1 1 20 7250 1 1 18 ALA O O 5.581 -2.024 -1.038 1.00 . A A . 18 ALA O 1 1 20 7251 1 1 19 HIS C C 3.187 -0.152 -0.081 1.00 . A A . 19 HIS C 1 1 20 7252 1 1 19 HIS CA C 2.973 -1.663 -0.168 1.00 . A A . 19 HIS CA 1 1 20 7253 1 1 19 HIS CB C 1.596 -2.047 0.396 1.00 . A A . 19 HIS CB 1 1 20 7254 1 1 19 HIS CD2 C 0.041 -0.140 1.186 1.00 . A A . 19 HIS CD2 1 1 20 7255 1 1 19 HIS CE1 C -0.867 0.290 -0.741 1.00 . A A . 19 HIS CE1 1 1 20 7256 1 1 19 HIS CG C 0.553 -0.979 0.251 1.00 . A A . 19 HIS CG 1 1 20 7257 1 1 19 HIS H H 3.822 -2.774 1.420 1.00 . A A . 19 HIS H 1 1 20 7258 1 1 19 HIS HA H 3.022 -1.960 -1.205 1.00 . A A . 19 HIS HA 1 1 20 7259 1 1 19 HIS HB2 H 1.239 -2.927 -0.119 1.00 . A A . 19 HIS HB2 1 1 20 7260 1 1 19 HIS HB3 H 1.697 -2.272 1.447 1.00 . A A . 19 HIS HB3 1 1 20 7261 1 1 19 HIS HD2 H 0.305 -0.099 2.230 1.00 . A A . 19 HIS HD2 1 1 20 7262 1 1 19 HIS HE1 H -1.452 0.762 -1.515 1.00 . A A . 19 HIS HE1 1 1 20 7263 1 1 19 HIS HE2 H -1.526 1.242 0.978 1.00 . A A . 19 HIS HE2 1 1 20 7264 1 1 19 HIS N N 4.023 -2.376 0.548 1.00 . A A . 19 HIS N 1 1 20 7265 1 1 19 HIS ND1 N -0.030 -0.699 -0.959 1.00 . A A . 19 HIS ND1 1 1 20 7266 1 1 19 HIS NE2 N -0.863 0.665 0.545 1.00 . A A . 19 HIS NE2 1 1 20 7267 1 1 19 HIS O O 3.354 0.520 -1.097 1.00 . A A . 19 HIS O 1 1 20 7268 1 1 20 MET C C 4.538 2.360 0.576 1.00 . A A . 20 MET C 1 1 20 7269 1 1 20 MET CA C 3.355 1.808 1.368 1.00 . A A . 20 MET CA 1 1 20 7270 1 1 20 MET CB C 3.554 2.085 2.860 1.00 . A A . 20 MET CB 1 1 20 7271 1 1 20 MET CE C 2.499 4.230 5.509 1.00 . A A . 20 MET CE 1 1 20 7272 1 1 20 MET CG C 2.252 2.202 3.636 1.00 . A A . 20 MET CG 1 1 20 7273 1 1 20 MET H H 3.030 -0.215 1.912 1.00 . A A . 20 MET H 1 1 20 7274 1 1 20 MET HA H 2.455 2.308 1.038 1.00 . A A . 20 MET HA 1 1 20 7275 1 1 20 MET HB2 H 4.132 1.281 3.289 1.00 . A A . 20 MET HB2 1 1 20 7276 1 1 20 MET HB3 H 4.100 3.010 2.972 1.00 . A A . 20 MET HB3 1 1 20 7277 1 1 20 MET HE1 H 2.197 3.460 6.203 1.00 . A A . 20 MET HE1 1 1 20 7278 1 1 20 MET HE2 H 2.174 5.192 5.873 1.00 . A A . 20 MET HE2 1 1 20 7279 1 1 20 MET HE3 H 3.576 4.226 5.414 1.00 . A A . 20 MET HE3 1 1 20 7280 1 1 20 MET HG2 H 1.471 1.703 3.081 1.00 . A A . 20 MET HG2 1 1 20 7281 1 1 20 MET HG3 H 2.375 1.720 4.594 1.00 . A A . 20 MET HG3 1 1 20 7282 1 1 20 MET N N 3.173 0.375 1.141 1.00 . A A . 20 MET N 1 1 20 7283 1 1 20 MET O O 4.439 3.419 -0.043 1.00 . A A . 20 MET O 1 1 20 7284 1 1 20 MET SD S 1.758 3.915 3.909 1.00 . A A . 20 MET SD 1 1 20 7285 1 1 21 THR C C 6.560 2.271 -1.606 1.00 . A A . 21 THR C 1 1 20 7286 1 1 21 THR CA C 6.853 2.068 -0.121 1.00 . A A . 21 THR CA 1 1 20 7287 1 1 21 THR CB C 7.972 1.040 0.055 1.00 . A A . 21 THR CB 1 1 20 7288 1 1 21 THR CG2 C 7.656 -0.303 -0.567 1.00 . A A . 21 THR CG2 1 1 20 7289 1 1 21 THR H H 5.676 0.804 1.109 1.00 . A A . 21 THR H 1 1 20 7290 1 1 21 THR HA H 7.172 3.008 0.301 1.00 . A A . 21 THR HA 1 1 20 7291 1 1 21 THR HB H 8.141 0.885 1.110 1.00 . A A . 21 THR HB 1 1 20 7292 1 1 21 THR HG1 H 9.085 1.535 -1.479 1.00 . A A . 21 THR HG1 1 1 20 7293 1 1 21 THR HG21 H 6.857 -0.189 -1.284 1.00 . A A . 21 THR HG21 1 1 20 7294 1 1 21 THR HG22 H 7.352 -0.994 0.206 1.00 . A A . 21 THR HG22 1 1 20 7295 1 1 21 THR HG23 H 8.535 -0.684 -1.065 1.00 . A A . 21 THR HG23 1 1 20 7296 1 1 21 THR N N 5.655 1.640 0.598 1.00 . A A . 21 THR N 1 1 20 7297 1 1 21 THR O O 7.248 3.031 -2.287 1.00 . A A . 21 THR O 1 1 20 7298 1 1 21 THR OG1 O 9.177 1.508 -0.524 1.00 . A A . 21 THR OG1 1 1 20 7299 1 1 22 HIS C C 3.734 2.258 -3.640 1.00 . A A . 22 HIS C 1 1 20 7300 1 1 22 HIS CA C 5.145 1.683 -3.500 1.00 . A A . 22 HIS CA 1 1 20 7301 1 1 22 HIS CB C 5.243 0.293 -4.159 1.00 . A A . 22 HIS CB 1 1 20 7302 1 1 22 HIS CD2 C 2.732 -0.309 -4.527 1.00 . A A . 22 HIS CD2 1 1 20 7303 1 1 22 HIS CE1 C 2.839 -0.798 -6.662 1.00 . A A . 22 HIS CE1 1 1 20 7304 1 1 22 HIS CG C 4.022 -0.141 -4.920 1.00 . A A . 22 HIS CG 1 1 20 7305 1 1 22 HIS H H 5.027 0.997 -1.513 1.00 . A A . 22 HIS H 1 1 20 7306 1 1 22 HIS HA H 5.837 2.347 -3.980 1.00 . A A . 22 HIS HA 1 1 20 7307 1 1 22 HIS HB2 H 6.073 0.293 -4.849 1.00 . A A . 22 HIS HB2 1 1 20 7308 1 1 22 HIS HB3 H 5.431 -0.443 -3.389 1.00 . A A . 22 HIS HB3 1 1 20 7309 1 1 22 HIS HD1 H 4.844 -0.434 -6.839 1.00 . A A . 22 HIS HD1 1 1 20 7310 1 1 22 HIS HD2 H 2.331 -0.145 -3.529 1.00 . A A . 22 HIS HD2 1 1 20 7311 1 1 22 HIS HE1 H 2.564 -1.094 -7.663 1.00 . A A . 22 HIS HE1 1 1 20 7312 1 1 22 HIS HE2 H 1.051 -0.845 -5.666 1.00 . A A . 22 HIS HE2 1 1 20 7313 1 1 22 HIS N N 5.534 1.585 -2.101 1.00 . A A . 22 HIS N 1 1 20 7314 1 1 22 HIS ND1 N 4.051 -0.457 -6.263 1.00 . A A . 22 HIS ND1 1 1 20 7315 1 1 22 HIS NE2 N 2.022 -0.718 -5.629 1.00 . A A . 22 HIS NE2 1 1 20 7316 1 1 22 HIS O O 3.187 2.332 -4.741 1.00 . A A . 22 HIS O 1 1 20 7317 1 1 23 CYS C C 1.653 4.294 -1.485 1.00 . A A . 23 CYS C 1 1 20 7318 1 1 23 CYS CA C 1.795 3.177 -2.518 1.00 . A A . 23 CYS CA 1 1 20 7319 1 1 23 CYS CB C 0.829 2.041 -2.195 1.00 . A A . 23 CYS CB 1 1 20 7320 1 1 23 CYS H H 3.612 2.552 -1.672 1.00 . A A . 23 CYS H 1 1 20 7321 1 1 23 CYS HA H 1.577 3.565 -3.500 1.00 . A A . 23 CYS HA 1 1 20 7322 1 1 23 CYS HB2 H 1.359 1.290 -1.630 1.00 . A A . 23 CYS HB2 1 1 20 7323 1 1 23 CYS HB3 H 0.026 2.424 -1.591 1.00 . A A . 23 CYS HB3 1 1 20 7324 1 1 23 CYS N N 3.143 2.646 -2.520 1.00 . A A . 23 CYS N 1 1 20 7325 1 1 23 CYS O O 0.743 4.277 -0.654 1.00 . A A . 23 CYS O 1 1 20 7326 1 1 23 CYS SG S 0.103 1.211 -3.651 1.00 . A A . 23 CYS SG 1 1 20 7327 1 1 24 ALA C C 1.221 7.156 -0.712 1.00 . A A . 24 ALA C 1 1 20 7328 1 1 24 ALA CA C 2.536 6.390 -0.616 1.00 . A A . 24 ALA CA 1 1 20 7329 1 1 24 ALA CB C 3.711 7.319 -0.885 1.00 . A A . 24 ALA CB 1 1 20 7330 1 1 24 ALA H H 3.260 5.224 -2.228 1.00 . A A . 24 ALA H 1 1 20 7331 1 1 24 ALA HA H 2.641 5.997 0.385 1.00 . A A . 24 ALA HA 1 1 20 7332 1 1 24 ALA HB1 H 4.626 6.843 -0.563 1.00 . A A . 24 ALA HB1 1 1 20 7333 1 1 24 ALA HB2 H 3.572 8.240 -0.341 1.00 . A A . 24 ALA HB2 1 1 20 7334 1 1 24 ALA HB3 H 3.767 7.529 -1.943 1.00 . A A . 24 ALA HB3 1 1 20 7335 1 1 24 ALA N N 2.558 5.265 -1.544 1.00 . A A . 24 ALA N 1 1 20 7336 1 1 24 ALA O O 0.340 6.800 -1.494 1.00 . A A . 24 ALA O 1 1 20 7337 1 1 25 LYS C C 0.231 10.504 -0.068 1.00 . A A . 25 LYS C 1 1 20 7338 1 1 25 LYS CA C -0.111 9.026 0.095 1.00 . A A . 25 LYS CA 1 1 20 7339 1 1 25 LYS CB C -0.892 8.811 1.393 1.00 . A A . 25 LYS CB 1 1 20 7340 1 1 25 LYS CD C -2.469 10.711 1.861 1.00 . A A . 25 LYS CD 1 1 20 7341 1 1 25 LYS CE C -3.752 10.881 2.658 1.00 . A A . 25 LYS CE 1 1 20 7342 1 1 25 LYS CG C -2.331 9.295 1.324 1.00 . A A . 25 LYS CG 1 1 20 7343 1 1 25 LYS H H 1.834 8.442 0.690 1.00 . A A . 25 LYS H 1 1 20 7344 1 1 25 LYS HA H -0.724 8.718 -0.739 1.00 . A A . 25 LYS HA 1 1 20 7345 1 1 25 LYS HB2 H -0.899 7.757 1.624 1.00 . A A . 25 LYS HB2 1 1 20 7346 1 1 25 LYS HB3 H -0.393 9.343 2.190 1.00 . A A . 25 LYS HB3 1 1 20 7347 1 1 25 LYS HD2 H -1.627 10.927 2.501 1.00 . A A . 25 LYS HD2 1 1 20 7348 1 1 25 LYS HD3 H -2.478 11.401 1.029 1.00 . A A . 25 LYS HD3 1 1 20 7349 1 1 25 LYS HE2 H -4.575 11.005 1.971 1.00 . A A . 25 LYS HE2 1 1 20 7350 1 1 25 LYS HE3 H -3.911 9.995 3.254 1.00 . A A . 25 LYS HE3 1 1 20 7351 1 1 25 LYS HG2 H -2.659 9.277 0.296 1.00 . A A . 25 LYS HG2 1 1 20 7352 1 1 25 LYS HG3 H -2.950 8.634 1.913 1.00 . A A . 25 LYS HG3 1 1 20 7353 1 1 25 LYS HZ1 H -3.127 11.847 4.402 1.00 . A A . 25 LYS HZ1 1 1 20 7354 1 1 25 LYS HZ2 H -4.652 12.336 3.858 1.00 . A A . 25 LYS HZ2 1 1 20 7355 1 1 25 LYS HZ3 H -3.258 12.871 3.062 1.00 . A A . 25 LYS HZ3 1 1 20 7356 1 1 25 LYS N N 1.096 8.209 0.088 1.00 . A A . 25 LYS N 1 1 20 7357 1 1 25 LYS NZ N -3.693 12.067 3.558 1.00 . A A . 25 LYS NZ 1 1 20 7358 1 1 25 LYS O O 1.411 10.862 0.130 1.00 . A A . 25 LYS O 1 1 20 7359 1 1 25 LYS OXT O -0.683 11.290 -0.392 1.00 . A A . 25 LYS OXT 1 1 20 7360 2 2 1 ZN ZN ZN -0.332 -0.944 -2.908 1.00 . B A . 26 ZN ZN 1 1 stop_ save_
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